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 1br4_1_A DATA FIRST_RESID 2 DATA SEQUENCE AQKPLSDDEK FLFVDKNFVN NPLAQADWSA KKLVWVPSEK HGFEAASIKE DATA SEQUENCE EKGDEVTVEL QENGKKVTLS KDDIQKMNPP KFSKVEDMAE LTCLNEASVL DATA SEQUENCE HNLRERYFSG LIYTYSGLFC VVINPYKQLP IYSEKIIDMY KGKKRHEMPP DATA SEQUENCE HIYAIADTAY RSMLQDREDQ SILCTGESGA GKTENTKKVI QYLAVVASSX DATA SEQUENCE XXXXXXXXXX XPSFSYGELE KQLLQANPIL EAFGNAKTVK NDNSSRFGKF DATA SEQUENCE IRINFDVTGY IVGANIETYL LEKSRAIRQA KDERTFHIFY YLIAGASEQM DATA SEQUENCE RNDLLLEGFN NYTFLSNGHV PIPAQQDDEM FQETLEAMTI MGFTEEEQTS DATA SEQUENCE ILRVVSSVLQ LGNIVFKKER NTDQASMPDN TAAQKVCHLM GINVTDFTRS DATA SEQUENCE ILTPRIKVGR DVVQKAQTKE QADFAIEALA KAKFERLFRW ILTRVNKALD DATA SEQUENCE XXXXXXASFL GILDIAGFEI FEINSFEQLC INYTNEKLQQ LFNHTMFILE DATA SEQUENCE QEEYQREGIE WNFIDFGLDL QPCIELIERP TNPPGVLALL DEECWFPKAT DATA SEQUENCE DTSFVEKLIQ EQGNHAKFQK SKQLKDKTEF CILHYAGKVT YNASAWLTKN DATA SEQUENCE MDPLNDNVTS LLNQSSDKFV ADLWKDVDRI VGLXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXFRTVGQ LYKEQLTKLM TTLRNTNPNF VRCIIPNHEK RAGKLDAHLV DATA SEQUENCE LEQLRCNGVL EGIRICRQGF PNRIVFQEFR QRYEILAANA IPKGFMDGKQ DATA SEQUENCE ACILMIKALE LDPNLYRIGQ SKIFFRTGVL AHLEEERDLK ITDVIIAFQA DATA SEQUENCE QCRGYLARKA FAKRQQQLGS 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.552 177.584 -0.053 0.000 1.274 2 A CA 0.000 52.013 52.037 -0.041 0.000 0.836 2 A CB 0.000 18.977 19.000 -0.037 0.000 0.831 3 Q N 0.258 120.016 119.800 -0.070 0.000 2.385 3 Q HA 0.470 4.793 4.340 -0.029 0.000 0.262 3 Q C -0.211 175.728 176.000 -0.102 0.000 1.050 3 Q CA -0.647 55.103 55.803 -0.088 0.000 0.903 3 Q CB 0.787 29.462 28.738 -0.106 0.000 1.325 3 Q HN 0.378 nan 8.270 nan 0.000 0.485 4 K N 1.350 121.676 120.400 -0.123 0.000 2.443 4 K HA -0.033 4.270 4.320 -0.029 0.000 0.268 4 K C -2.125 174.390 176.600 -0.142 0.000 0.971 4 K CA -0.120 56.087 56.287 -0.133 0.000 0.902 4 K CB -0.121 32.277 32.500 -0.170 0.000 0.950 4 K HN 0.323 nan 8.250 nan 0.000 0.525 5 P HA 0.304 nan 4.420 nan 0.000 0.301 5 P C -1.660 175.562 177.300 -0.131 0.000 1.337 5 P CA -0.649 62.386 63.100 -0.108 0.000 0.889 5 P CB 0.867 32.525 31.700 -0.071 0.000 1.050 6 L N 1.077 122.224 121.223 -0.127 0.000 2.376 6 L HA 0.570 4.893 4.340 -0.029 0.000 0.275 6 L C 0.898 177.724 176.870 -0.073 0.000 0.987 6 L CA -0.795 53.973 54.840 -0.120 0.000 0.828 6 L CB 1.298 43.263 42.059 -0.157 0.000 1.249 6 L HN 0.375 nan 8.230 nan 0.000 0.409 7 S N -0.073 115.595 115.700 -0.053 0.000 2.586 7 S HA -0.077 4.376 4.470 -0.029 0.000 0.256 7 S C 0.867 175.430 174.600 -0.061 0.000 1.392 7 S CA 0.542 58.718 58.200 -0.040 0.000 0.983 7 S CB 0.269 63.459 63.200 -0.017 0.000 0.897 7 S HN 0.819 nan 8.310 nan 0.000 0.566 8 D N 0.368 120.727 120.400 -0.069 0.000 2.228 8 D HA -0.129 4.493 4.640 -0.029 0.000 0.203 8 D C 0.989 177.169 176.300 -0.201 0.000 0.988 8 D CA 1.633 55.550 54.000 -0.137 0.000 0.864 8 D CB -0.636 40.114 40.800 -0.083 0.000 0.928 8 D HN 0.607 nan 8.370 nan 0.000 0.469 9 D N 0.380 120.756 120.400 -0.040 0.000 2.137 9 D HA -0.056 4.566 4.640 -0.029 0.000 0.202 9 D C 1.674 178.034 176.300 0.101 0.000 0.970 9 D CA 0.783 54.837 54.000 0.090 0.000 0.837 9 D CB -0.279 40.594 40.800 0.121 0.000 0.981 9 D HN 0.263 nan 8.370 nan 0.000 0.475 10 E N 0.257 120.499 120.200 0.070 0.000 2.418 10 E HA -0.010 4.323 4.350 -0.029 0.000 0.197 10 E C 0.927 177.607 176.600 0.134 0.000 1.026 10 E CA 0.433 56.936 56.400 0.171 0.000 0.862 10 E CB 0.090 29.875 29.700 0.141 0.000 0.799 10 E HN 0.148 nan 8.360 nan 0.000 0.518 11 K N -0.289 120.072 120.400 -0.065 0.000 2.546 11 K HA 0.034 4.337 4.320 -0.029 0.000 0.198 11 K C -0.092 176.361 176.600 -0.245 0.000 1.028 11 K CA 0.143 56.329 56.287 -0.168 0.000 1.150 11 K CB 0.283 32.608 32.500 -0.291 0.000 0.876 11 K HN 0.099 nan 8.250 nan 0.000 0.508 12 F N -1.145 118.833 119.950 0.047 0.000 2.831 12 F HA 0.211 4.723 4.527 -0.025 0.000 0.334 12 F C 1.207 176.994 175.800 -0.020 0.000 1.071 12 F CA -0.176 57.831 58.000 0.012 0.000 1.172 12 F CB 0.425 39.422 39.000 -0.004 0.000 1.054 12 F HN -0.109 nan 8.300 nan 0.000 0.572 13 L N -2.036 119.266 121.223 0.132 0.000 2.453 13 L HA 0.212 4.534 4.340 -0.029 0.000 0.190 13 L C 0.397 177.131 176.870 -0.226 0.000 1.093 13 L CA 0.370 55.146 54.840 -0.106 0.000 0.834 13 L CB -0.298 41.607 42.059 -0.256 0.000 1.090 13 L HN -0.217 nan 8.230 nan 0.000 0.489 14 F N -0.269 119.686 119.950 0.008 0.000 2.291 14 F HA 0.424 4.935 4.527 -0.026 0.000 0.305 14 F C 0.437 176.215 175.800 -0.037 0.000 1.171 14 F CA -0.820 57.165 58.000 -0.025 0.000 1.090 14 F CB 0.371 39.339 39.000 -0.053 0.000 1.436 14 F HN -0.339 nan 8.300 nan 0.000 0.509 15 V N -1.619 118.394 119.914 0.166 0.000 3.166 15 V HA 0.443 4.546 4.120 -0.029 0.000 0.317 15 V C -1.233 174.822 176.094 -0.064 0.000 1.136 15 V CA -1.017 61.301 62.300 0.030 0.000 1.035 15 V CB 1.722 33.548 31.823 0.006 0.000 1.110 15 V HN 0.433 nan 8.190 nan 0.000 0.450 16 D N 0.933 121.232 120.400 -0.168 0.000 2.467 16 D HA 0.350 4.972 4.640 -0.029 0.000 0.220 16 D C 0.414 176.376 176.300 -0.564 0.000 1.103 16 D CA 0.005 53.777 54.000 -0.381 0.000 0.886 16 D CB 1.532 42.071 40.800 -0.435 0.000 1.025 16 D HN 0.574 nan 8.370 nan 0.000 0.514 17 K N 1.102 121.255 120.400 -0.412 0.000 2.287 17 K HA 0.115 4.417 4.320 -0.029 0.000 0.199 17 K C 0.471 176.878 176.600 -0.322 0.000 1.061 17 K CA -0.113 55.981 56.287 -0.322 0.000 0.976 17 K CB 0.456 32.858 32.500 -0.163 0.000 0.898 17 K HN 0.202 nan 8.250 nan 0.000 0.492 18 N N 1.746 120.273 118.700 -0.289 0.000 2.484 18 N HA -0.060 4.663 4.740 -0.029 0.000 0.295 18 N C -1.144 174.406 175.510 0.065 0.000 1.240 18 N CA 0.814 53.795 53.050 -0.115 0.000 1.085 18 N CB -0.033 38.406 38.487 -0.081 0.000 1.465 18 N HN -0.027 nan 8.380 nan 0.000 0.496 19 F N -0.577 119.356 119.950 -0.029 0.000 2.706 19 F HA 0.300 4.810 4.527 -0.028 0.000 0.328 19 F C 0.359 176.142 175.800 -0.029 0.000 1.123 19 F CA -1.269 56.716 58.000 -0.026 0.000 0.978 19 F CB 0.359 39.346 39.000 -0.020 0.000 1.404 19 F HN -0.213 nan 8.300 nan 0.000 0.497 20 V N 3.101 123.102 119.914 0.145 0.000 2.637 20 V HA 0.143 4.246 4.120 -0.029 0.000 0.296 20 V C 0.443 176.560 176.094 0.039 0.000 1.046 20 V CA -0.516 61.808 62.300 0.039 0.000 1.066 20 V CB 0.499 32.303 31.823 -0.033 0.000 0.968 20 V HN 0.674 nan 8.190 nan 0.000 0.483 21 N N 5.356 124.062 118.700 0.011 0.000 2.926 21 N HA -0.059 4.664 4.740 -0.029 0.000 0.284 21 N C 0.299 175.793 175.510 -0.026 0.000 1.303 21 N CA 0.292 53.337 53.050 -0.008 0.000 1.062 21 N CB -0.955 37.517 38.487 -0.026 0.000 1.389 21 N HN 0.924 nan 8.380 nan 0.000 0.538 22 N N 1.253 119.943 118.700 -0.017 0.000 2.131 22 N HA -0.084 4.639 4.740 -0.029 0.000 0.276 22 N C -1.639 173.844 175.510 -0.045 0.000 1.295 22 N CA -0.722 52.309 53.050 -0.031 0.000 0.818 22 N CB 0.676 39.148 38.487 -0.024 0.000 1.049 22 N HN 0.088 nan 8.380 nan 0.000 0.484 23 P HA 0.027 nan 4.420 nan 0.000 0.261 23 P C 0.968 178.232 177.300 -0.061 0.000 1.268 23 P CA -0.047 63.004 63.100 -0.082 0.000 0.833 23 P CB 0.351 32.001 31.700 -0.082 0.000 1.231 24 L N 0.453 121.654 121.223 -0.036 0.000 1.973 24 L HA -0.059 4.264 4.340 -0.029 0.000 0.208 24 L C 2.441 179.311 176.870 -0.000 0.000 1.073 24 L CA 2.327 57.157 54.840 -0.016 0.000 0.746 24 L CB -1.775 40.276 42.059 -0.014 0.000 0.891 24 L HN -0.002 nan 8.230 nan 0.000 0.433 25 A N -1.347 121.476 122.820 0.006 0.000 1.972 25 A HA -0.216 4.087 4.320 -0.029 0.000 0.219 25 A C 2.149 179.755 177.584 0.036 0.000 1.169 25 A CA 1.232 53.288 52.037 0.032 0.000 0.635 25 A CB -0.341 18.685 19.000 0.043 0.000 0.810 25 A HN 0.447 nan 8.150 nan 0.000 0.446 26 Q N -0.736 119.050 119.800 -0.023 0.000 2.187 26 Q HA 0.080 4.403 4.340 -0.029 0.000 0.199 26 Q C 2.351 178.252 176.000 -0.164 0.000 0.957 26 Q CA 1.297 57.036 55.803 -0.107 0.000 0.857 26 Q CB -0.499 28.111 28.738 -0.213 0.000 0.929 26 Q HN 0.604 nan 8.270 nan 0.000 0.453 27 A N 1.144 123.913 122.820 -0.084 0.000 1.845 27 A HA -0.192 4.111 4.320 -0.029 0.000 0.215 27 A C 1.906 179.618 177.584 0.213 0.000 1.195 27 A CA 1.804 53.838 52.037 -0.004 0.000 0.616 27 A CB -0.827 18.177 19.000 0.006 0.000 0.832 27 A HN 0.331 nan 8.150 nan 0.000 0.443 28 D N -0.399 120.090 120.400 0.149 0.000 2.322 28 D HA -0.213 4.410 4.640 -0.029 0.000 0.210 28 D C 1.700 178.146 176.300 0.243 0.000 0.983 28 D CA 1.475 55.567 54.000 0.154 0.000 0.902 28 D CB -0.350 40.499 40.800 0.083 0.000 0.905 28 D HN 0.770 nan 8.370 nan 0.000 0.483 29 W N 1.229 122.527 121.300 -0.003 0.000 2.321 29 W HA -0.190 4.452 4.660 -0.029 0.000 0.285 29 W C 1.659 178.176 176.519 -0.003 0.000 1.213 29 W CA 1.135 58.481 57.345 0.001 0.000 1.205 29 W CB -1.505 27.961 29.460 0.010 0.000 1.134 29 W HN -0.094 nan 8.180 nan 0.000 0.549 30 S N 1.732 117.478 115.700 0.076 0.000 2.359 30 S HA -0.041 4.411 4.470 -0.029 0.000 0.224 30 S C 1.841 176.356 174.600 -0.141 0.000 1.035 30 S CA 1.886 59.967 58.200 -0.198 0.000 1.018 30 S CB -0.982 62.248 63.200 0.049 0.000 0.876 30 S HN 0.396 nan 8.310 nan 0.000 0.448 31 A N 2.266 125.062 122.820 -0.039 0.000 2.711 31 A HA 0.092 4.395 4.320 -0.029 0.000 0.242 31 A C 1.374 178.917 177.584 -0.068 0.000 1.607 31 A CA -0.179 51.829 52.037 -0.049 0.000 1.370 31 A CB -0.531 18.456 19.000 -0.023 0.000 0.934 31 A HN 0.452 nan 8.150 nan 0.000 0.628 32 K N 0.368 120.703 120.400 -0.109 0.000 2.520 32 K HA -0.153 4.150 4.320 -0.029 0.000 0.197 32 K C 0.363 176.913 176.600 -0.084 0.000 1.044 32 K CA 0.735 56.962 56.287 -0.101 0.000 0.938 32 K CB -0.167 32.241 32.500 -0.152 0.000 0.767 32 K HN 0.322 nan 8.250 nan 0.000 0.481 33 K N 1.193 121.545 120.400 -0.080 0.000 2.589 33 K HA 0.077 4.380 4.320 -0.029 0.000 0.192 33 K C 0.740 177.292 176.600 -0.081 0.000 1.029 33 K CA 0.115 56.360 56.287 -0.070 0.000 1.031 33 K CB -0.290 32.175 32.500 -0.059 0.000 0.821 33 K HN 0.257 nan 8.250 nan 0.000 0.502 34 L N 2.053 123.215 121.223 -0.101 0.000 2.315 34 L HA 0.084 4.407 4.340 -0.029 0.000 0.283 34 L C 0.248 176.992 176.870 -0.210 0.000 1.089 34 L CA -0.387 54.361 54.840 -0.153 0.000 0.833 34 L CB 0.651 42.615 42.059 -0.158 0.000 1.170 34 L HN -0.122 nan 8.230 nan 0.000 0.442 35 V N 1.215 120.987 119.914 -0.235 0.000 3.271 35 V HA 0.601 4.704 4.120 -0.029 0.000 0.305 35 V C -0.947 174.909 176.094 -0.397 0.000 1.303 35 V CA -1.041 61.112 62.300 -0.246 0.000 1.038 35 V CB 1.432 33.222 31.823 -0.054 0.000 1.197 35 V HN 0.701 nan 8.190 nan 0.000 0.478 36 W N -0.766 120.518 121.300 -0.025 0.000 2.671 36 W HA 0.857 5.502 4.660 -0.026 0.000 0.360 36 W C -0.548 176.016 176.519 0.075 0.000 1.128 36 W CA -0.073 57.272 57.345 -0.000 0.000 1.184 36 W CB 1.897 31.300 29.460 -0.096 0.000 1.415 36 W HN 0.774 nan 8.180 nan 0.000 0.604 37 V N -2.121 118.077 119.914 0.474 0.000 3.278 37 V HA 0.455 4.558 4.120 -0.029 0.000 0.288 37 V C -2.620 173.692 176.094 0.362 0.000 1.514 37 V CA -2.600 59.907 62.300 0.345 0.000 1.051 37 V CB 0.895 32.825 31.823 0.179 0.000 1.163 37 V HN 0.363 nan 8.190 nan 0.000 0.458 38 P HA 0.226 nan 4.420 nan 0.000 0.274 38 P C -0.088 177.239 177.300 0.045 0.000 1.248 38 P CA 0.725 63.860 63.100 0.058 0.000 0.827 38 P CB 0.419 32.150 31.700 0.051 0.000 0.972 39 S N -2.171 113.532 115.700 0.005 0.000 2.678 39 S HA 0.116 4.569 4.470 -0.029 0.000 0.290 39 S C 0.075 174.737 174.600 0.103 0.000 1.047 39 S CA -0.542 57.692 58.200 0.056 0.000 0.851 39 S CB 0.561 63.814 63.200 0.090 0.000 1.058 39 S HN 0.445 nan 8.310 nan 0.000 0.451 40 E N 0.841 121.109 120.200 0.112 0.000 2.307 40 E HA 0.257 4.590 4.350 -0.029 0.000 0.195 40 E C 1.180 177.897 176.600 0.195 0.000 0.975 40 E CA -0.007 56.467 56.400 0.123 0.000 0.878 40 E CB 0.214 29.950 29.700 0.059 0.000 0.845 40 E HN 0.419 nan 8.360 nan 0.000 0.488 41 K N -0.745 119.773 120.400 0.197 0.000 2.365 41 K HA 0.077 4.380 4.320 -0.029 0.000 0.195 41 K C 0.981 177.720 176.600 0.232 0.000 1.079 41 K CA 0.516 56.934 56.287 0.219 0.000 0.979 41 K CB 0.494 33.130 32.500 0.226 0.000 0.929 41 K HN 0.085 nan 8.250 nan 0.000 0.523 42 H N -1.122 117.977 119.070 0.047 0.000 2.729 42 H HA 0.158 4.698 4.556 -0.028 0.000 0.263 42 H C 1.271 176.538 175.328 -0.101 0.000 0.961 42 H CA 0.890 56.952 56.048 0.024 0.000 1.217 42 H CB 1.079 30.890 29.762 0.082 0.000 1.447 42 H HN 0.390 nan 8.280 nan 0.000 0.496 43 G N -0.069 108.669 108.800 -0.104 0.000 2.990 43 G HA2 -0.309 3.634 3.960 -0.029 0.000 0.225 43 G HA3 -0.309 3.634 3.960 -0.029 0.000 0.225 43 G C 0.181 174.725 174.900 -0.593 0.000 1.304 43 G CA 0.758 45.541 45.100 -0.528 0.000 0.816 43 G HN 0.253 nan 8.290 nan 0.000 0.528 44 F N 1.312 121.319 119.950 0.095 0.000 2.650 44 F HA 0.708 5.217 4.527 -0.030 0.000 0.320 44 F C 0.001 175.988 175.800 0.313 0.000 1.091 44 F CA -0.292 57.816 58.000 0.179 0.000 0.962 44 F CB 2.188 41.224 39.000 0.060 0.000 1.363 44 F HN 0.602 nan 8.300 nan 0.000 0.482 45 E N 0.137 120.746 120.200 0.681 0.000 2.393 45 E HA 0.650 4.983 4.350 -0.029 0.000 0.282 45 E C -1.963 174.749 176.600 0.187 0.000 1.096 45 E CA -1.295 55.356 56.400 0.419 0.000 0.866 45 E CB 1.074 30.884 29.700 0.183 0.000 1.232 45 E HN 0.717 nan 8.360 nan 0.000 0.431 46 A N 1.266 123.964 122.820 -0.204 0.000 2.351 46 A HA 0.837 5.140 4.320 -0.029 0.000 0.257 46 A C -0.094 177.361 177.584 -0.216 0.000 1.087 46 A CA 0.351 52.096 52.037 -0.487 0.000 0.798 46 A CB 0.698 19.341 19.000 -0.595 0.000 1.033 46 A HN 1.231 nan 8.150 nan 0.000 0.488 47 A N 0.516 123.210 122.820 -0.210 0.000 2.594 47 A HA 0.627 4.930 4.320 -0.029 0.000 0.296 47 A C -0.505 177.014 177.584 -0.108 0.000 1.056 47 A CA -0.082 51.889 52.037 -0.111 0.000 0.693 47 A CB 0.727 19.699 19.000 -0.047 0.000 1.278 47 A HN 1.277 nan 8.150 nan 0.000 0.408 48 S N 0.649 116.303 115.700 -0.077 0.000 2.472 48 S HA 0.631 5.083 4.470 -0.029 0.000 0.303 48 S C -0.161 174.413 174.600 -0.044 0.000 1.099 48 S CA -0.451 57.709 58.200 -0.067 0.000 1.077 48 S CB 0.380 63.542 63.200 -0.062 0.000 1.031 48 S HN 0.542 nan 8.310 nan 0.000 0.487 49 I N 5.154 125.700 120.570 -0.040 0.000 2.664 49 I HA 0.042 4.195 4.170 -0.029 0.000 0.284 49 I C 1.294 177.395 176.117 -0.026 0.000 1.154 49 I CA 0.201 61.484 61.300 -0.028 0.000 1.402 49 I CB 0.542 38.526 38.000 -0.026 0.000 1.395 49 I HN 0.597 nan 8.210 nan 0.000 0.545 50 K N 5.239 125.627 120.400 -0.020 0.000 2.308 50 K HA 0.201 4.504 4.320 -0.029 0.000 0.197 50 K C 0.323 176.914 176.600 -0.015 0.000 1.049 50 K CA 0.524 56.800 56.287 -0.018 0.000 0.991 50 K CB 0.532 33.023 32.500 -0.015 0.000 0.836 50 K HN 0.588 nan 8.250 nan 0.000 0.500 51 E N 1.165 121.357 120.200 -0.013 0.000 2.522 51 E HA 0.072 4.404 4.350 -0.029 0.000 0.315 51 E C -1.456 175.138 176.600 -0.009 0.000 0.917 51 E CA -0.002 56.392 56.400 -0.011 0.000 0.796 51 E CB 1.404 31.099 29.700 -0.009 0.000 1.323 51 E HN -0.023 nan 8.360 nan 0.000 0.397 52 E N 4.047 124.241 120.200 -0.010 0.000 1.996 52 E HA 0.116 4.449 4.350 -0.029 0.000 0.280 52 E C -0.069 176.527 176.600 -0.006 0.000 1.092 52 E CA -0.258 56.137 56.400 -0.008 0.000 0.862 52 E CB 0.809 30.503 29.700 -0.010 0.000 1.066 52 E HN 0.220 nan 8.360 nan 0.000 0.396 53 K N 2.273 122.670 120.400 -0.004 0.000 2.745 53 K HA 0.096 4.399 4.320 -0.029 0.000 0.223 53 K C 0.794 177.393 176.600 -0.002 0.000 1.057 53 K CA 0.195 56.480 56.287 -0.003 0.000 1.217 53 K CB 0.368 32.867 32.500 -0.002 0.000 0.993 53 K HN 0.793 nan 8.250 nan 0.000 0.478 54 G N 1.827 110.625 108.800 -0.003 0.000 2.603 54 G HA2 -0.318 3.625 3.960 -0.029 0.000 0.245 54 G HA3 -0.318 3.625 3.960 -0.029 0.000 0.245 54 G C 0.493 175.392 174.900 -0.001 0.000 1.195 54 G CA 0.109 45.207 45.100 -0.003 0.000 0.953 54 G HN 0.370 nan 8.290 nan 0.000 0.566 55 D N 1.825 122.225 120.400 0.000 0.000 2.384 55 D HA 0.034 4.657 4.640 -0.029 0.000 0.222 55 D C 0.367 176.671 176.300 0.006 0.000 0.976 55 D CA 1.388 55.389 54.000 0.002 0.000 0.915 55 D CB 0.147 40.949 40.800 0.002 0.000 0.896 55 D HN 0.417 nan 8.370 nan 0.000 0.523 56 E N -0.532 119.671 120.200 0.005 0.000 2.256 56 E HA 0.381 4.714 4.350 -0.029 0.000 0.268 56 E C -1.166 175.437 176.600 0.005 0.000 0.877 56 E CA -0.656 55.749 56.400 0.007 0.000 0.757 56 E CB 2.828 32.532 29.700 0.007 0.000 1.183 56 E HN -0.208 nan 8.360 nan 0.000 0.418 57 V N 1.900 121.818 119.914 0.007 0.000 2.555 57 V HA 0.491 4.594 4.120 -0.029 0.000 0.302 57 V C -0.008 176.089 176.094 0.004 0.000 1.038 57 V CA -0.965 61.337 62.300 0.004 0.000 0.887 57 V CB 1.975 33.800 31.823 0.003 0.000 0.991 57 V HN 0.825 nan 8.190 nan 0.000 0.434 58 T N 3.147 117.701 114.554 0.000 0.000 2.794 58 T HA 0.671 5.004 4.350 -0.029 0.000 0.296 58 T C -0.524 174.174 174.700 -0.003 0.000 0.949 58 T CA -0.284 61.815 62.100 -0.001 0.000 1.101 58 T CB 0.788 69.654 68.868 -0.003 0.000 0.905 58 T HN 0.622 nan 8.240 nan 0.000 0.516 59 V N 1.888 121.801 119.914 -0.001 0.000 3.130 59 V HA 0.722 4.825 4.120 -0.029 0.000 0.310 59 V C -0.568 175.521 176.094 -0.008 0.000 1.158 59 V CA -1.153 61.144 62.300 -0.006 0.000 1.029 59 V CB 2.024 33.846 31.823 -0.001 0.000 1.057 59 V HN 0.993 nan 8.190 nan 0.000 0.436 60 E N 2.131 122.322 120.200 -0.016 0.000 2.283 60 E HA 0.435 4.768 4.350 -0.029 0.000 0.258 60 E C -1.129 175.455 176.600 -0.026 0.000 0.893 60 E CA -0.822 55.568 56.400 -0.017 0.000 0.798 60 E CB 1.857 31.546 29.700 -0.018 0.000 1.242 60 E HN 0.829 nan 8.360 nan 0.000 0.414 61 L N 2.403 123.612 121.223 -0.023 0.000 2.540 61 L HA 0.075 4.397 4.340 -0.029 0.000 0.276 61 L C 0.994 177.838 176.870 -0.043 0.000 1.212 61 L CA 0.141 54.960 54.840 -0.034 0.000 0.893 61 L CB 0.046 42.090 42.059 -0.025 0.000 1.138 61 L HN 0.534 nan 8.230 nan 0.000 0.491 62 Q N 0.707 120.471 119.800 -0.060 0.000 2.283 62 Q HA -0.023 4.300 4.340 -0.029 0.000 0.223 62 Q C 0.567 176.540 176.000 -0.046 0.000 0.918 62 Q CA 0.584 56.355 55.803 -0.055 0.000 0.952 62 Q CB 0.136 28.831 28.738 -0.071 0.000 1.030 62 Q HN 0.908 nan 8.270 nan 0.000 0.452 63 E N 0.735 120.909 120.200 -0.044 0.000 2.756 63 E HA 0.084 4.417 4.350 -0.029 0.000 0.192 63 E C 0.724 177.302 176.600 -0.036 0.000 1.022 63 E CA 0.620 56.994 56.400 -0.044 0.000 1.224 63 E CB -0.072 29.587 29.700 -0.068 0.000 1.252 63 E HN 0.375 nan 8.360 nan 0.000 0.494 64 N N 0.149 118.826 118.700 -0.038 0.000 2.251 64 N HA 0.128 4.851 4.740 -0.029 0.000 0.217 64 N C 0.259 175.756 175.510 -0.021 0.000 1.124 64 N CA 0.604 53.637 53.050 -0.028 0.000 0.843 64 N CB 0.854 39.324 38.487 -0.029 0.000 1.024 64 N HN 0.390 nan 8.380 nan 0.000 0.501 65 G N 1.431 110.217 108.800 -0.023 0.000 2.219 65 G HA2 -0.302 3.641 3.960 -0.029 0.000 0.271 65 G HA3 -0.302 3.641 3.960 -0.029 0.000 0.271 65 G C 0.406 175.296 174.900 -0.016 0.000 0.991 65 G CA 0.504 45.593 45.100 -0.019 0.000 0.685 65 G HN 0.199 nan 8.290 nan 0.000 0.531 66 K N 0.351 120.741 120.400 -0.017 0.000 2.451 66 K HA 0.183 4.486 4.320 -0.029 0.000 0.280 66 K C 0.499 177.093 176.600 -0.010 0.000 1.020 66 K CA -0.040 56.239 56.287 -0.012 0.000 1.008 66 K CB 0.670 33.163 32.500 -0.012 0.000 0.917 66 K HN 0.195 nan 8.250 nan 0.000 0.478 67 K N 3.076 123.471 120.400 -0.007 0.000 2.180 67 K HA 0.147 4.450 4.320 -0.029 0.000 0.250 67 K C -0.914 175.685 176.600 -0.001 0.000 1.135 67 K CA -0.221 56.063 56.287 -0.005 0.000 1.037 67 K CB 0.317 32.813 32.500 -0.005 0.000 1.624 67 K HN 0.165 nan 8.250 nan 0.000 0.382 68 V N 3.380 123.295 119.914 0.002 0.000 2.334 68 V HA 0.172 4.275 4.120 -0.029 0.000 0.267 68 V C 0.187 176.288 176.094 0.011 0.000 1.040 68 V CA -0.526 61.779 62.300 0.008 0.000 0.866 68 V CB 1.190 33.021 31.823 0.013 0.000 1.019 68 V HN 0.594 nan 8.190 nan 0.000 0.468 69 T N 6.766 121.326 114.554 0.010 0.000 2.922 69 T HA 0.803 5.136 4.350 -0.029 0.000 0.285 69 T C -0.241 174.469 174.700 0.017 0.000 1.005 69 T CA -0.085 62.022 62.100 0.011 0.000 1.061 69 T CB 1.075 69.947 68.868 0.007 0.000 1.007 69 T HN 0.384 nan 8.240 nan 0.000 0.502 70 L N 0.048 121.283 121.223 0.020 0.000 2.654 70 L HA 0.488 4.810 4.340 -0.029 0.000 0.257 70 L C 0.166 177.050 176.870 0.023 0.000 1.093 70 L CA -1.106 53.749 54.840 0.025 0.000 0.903 70 L CB 1.721 43.803 42.059 0.038 0.000 1.520 70 L HN 0.501 nan 8.230 nan 0.000 0.402 71 S N -0.199 115.516 115.700 0.025 0.000 2.580 71 S HA 0.025 4.477 4.470 -0.029 0.000 0.266 71 S C 0.651 175.266 174.600 0.024 0.000 1.354 71 S CA -0.044 58.169 58.200 0.021 0.000 1.008 71 S CB 0.470 63.683 63.200 0.022 0.000 0.898 71 S HN 0.582 nan 8.310 nan 0.000 0.555 72 K N 0.977 121.387 120.400 0.017 0.000 2.591 72 K HA -0.006 4.297 4.320 -0.029 0.000 0.197 72 K C -0.392 176.220 176.600 0.020 0.000 1.026 72 K CA 0.786 57.082 56.287 0.016 0.000 1.127 72 K CB -0.572 31.933 32.500 0.008 0.000 0.871 72 K HN 0.702 nan 8.250 nan 0.000 0.507 73 D N -3.070 117.346 120.400 0.027 0.000 2.712 73 D HA 0.070 4.693 4.640 -0.029 0.000 0.300 73 D C -0.224 176.104 176.300 0.048 0.000 1.521 73 D CA -0.420 53.598 54.000 0.031 0.000 0.790 73 D CB 0.729 41.542 40.800 0.022 0.000 1.155 73 D HN -0.017 nan 8.370 nan 0.000 0.456 74 D N 0.157 120.593 120.400 0.060 0.000 2.498 74 D HA 0.207 4.829 4.640 -0.029 0.000 0.223 74 D C 0.993 177.365 176.300 0.120 0.000 1.125 74 D CA -0.214 53.837 54.000 0.085 0.000 0.835 74 D CB 1.057 41.899 40.800 0.070 0.000 1.086 74 D HN 0.483 nan 8.370 nan 0.000 0.510 75 I N -1.823 118.807 120.570 0.100 0.000 3.468 75 I HA 0.463 4.615 4.170 -0.029 0.000 0.276 75 I C -0.442 175.757 176.117 0.136 0.000 1.182 75 I CA -0.543 60.829 61.300 0.120 0.000 0.881 75 I CB 0.689 38.733 38.000 0.075 0.000 1.609 75 I HN -0.299 nan 8.210 nan 0.000 0.780 76 Q N 0.456 120.354 119.800 0.164 0.000 2.430 76 Q HA 0.282 4.605 4.340 -0.029 0.000 0.253 76 Q C -1.710 174.443 176.000 0.255 0.000 0.945 76 Q CA -0.848 55.051 55.803 0.161 0.000 0.964 76 Q CB 1.888 30.684 28.738 0.096 0.000 1.460 76 Q HN 0.590 nan 8.270 nan 0.000 0.428 77 K N 2.457 122.949 120.400 0.152 0.000 2.437 77 K HA 0.050 4.353 4.320 -0.029 0.000 0.277 77 K C -0.171 176.603 176.600 0.290 0.000 1.073 77 K CA 0.623 56.996 56.287 0.143 0.000 1.105 77 K CB 0.219 32.754 32.500 0.057 0.000 0.881 77 K HN 0.450 nan 8.250 nan 0.000 0.475 78 M N 2.735 122.471 119.600 0.227 0.000 2.274 78 M HA 0.113 4.575 4.480 -0.029 0.000 0.344 78 M C -0.175 176.248 176.300 0.205 0.000 1.161 78 M CA -0.224 55.261 55.300 0.308 0.000 1.126 78 M CB 0.813 33.303 32.600 -0.183 0.000 1.522 78 M HN 0.539 nan 8.290 nan 0.000 0.461 79 N N 3.495 122.348 118.700 0.255 0.000 2.498 79 N HA 0.468 5.191 4.740 -0.029 0.000 0.287 79 N C -2.528 173.133 175.510 0.251 0.000 1.097 79 N CA -1.361 51.775 53.050 0.143 0.000 0.973 79 N CB 0.985 39.471 38.487 -0.002 0.000 1.153 79 N HN 0.364 nan 8.380 nan 0.000 0.472 80 P HA 0.023 nan 4.420 nan 0.000 0.266 80 P C -1.900 175.619 177.300 0.366 0.000 1.186 80 P CA -0.632 62.678 63.100 0.350 0.000 0.767 80 P CB 0.123 32.063 31.700 0.401 0.000 0.820 81 P HA -0.104 nan 4.420 nan 0.000 0.239 81 P C 0.921 178.310 177.300 0.148 0.000 1.184 81 P CA 0.966 64.187 63.100 0.202 0.000 0.760 81 P CB 0.073 31.860 31.700 0.146 0.000 0.884 82 K N -0.349 120.112 120.400 0.102 0.000 2.525 82 K HA -0.012 4.291 4.320 -0.029 0.000 0.192 82 K C 0.464 176.881 176.600 -0.304 0.000 1.029 82 K CA 0.562 56.774 56.287 -0.126 0.000 1.029 82 K CB -0.238 32.115 32.500 -0.246 0.000 0.814 82 K HN 0.090 nan 8.250 nan 0.000 0.503 83 F N 0.105 120.109 119.950 0.091 0.000 2.728 83 F HA 0.240 4.750 4.527 -0.029 0.000 0.314 83 F C 0.748 176.604 175.800 0.094 0.000 1.094 83 F CA -0.513 57.539 58.000 0.087 0.000 1.217 83 F CB 0.481 39.540 39.000 0.099 0.000 1.056 83 F HN -0.226 nan 8.300 nan 0.000 0.577 84 S N 2.148 118.005 115.700 0.262 0.000 2.998 84 S HA -0.049 4.404 4.470 -0.029 0.000 0.348 84 S C 0.398 175.076 174.600 0.130 0.000 1.210 84 S CA 0.352 58.673 58.200 0.201 0.000 1.118 84 S CB -0.727 62.575 63.200 0.169 0.000 0.832 84 S HN 0.428 nan 8.310 nan 0.000 0.516 85 K N 0.400 120.865 120.400 0.109 0.000 3.585 85 K HA -0.146 4.156 4.320 -0.029 0.000 0.275 85 K C -0.400 176.249 176.600 0.083 0.000 1.026 85 K CA 0.198 56.529 56.287 0.073 0.000 0.800 85 K CB -1.929 30.604 32.500 0.054 0.000 1.401 85 K HN 0.379 nan 8.250 nan 0.000 0.453 86 V N 1.074 121.059 119.914 0.119 0.000 2.732 86 V HA 0.044 4.147 4.120 -0.029 0.000 0.297 86 V C 1.627 177.762 176.094 0.068 0.000 1.060 86 V CA -0.081 62.292 62.300 0.122 0.000 1.038 86 V CB 1.368 33.328 31.823 0.229 0.000 1.003 86 V HN 0.445 nan 8.190 nan 0.000 0.481 87 E N 2.654 122.873 120.200 0.031 0.000 2.006 87 E HA -0.084 4.249 4.350 -0.029 0.000 0.192 87 E C 0.439 177.023 176.600 -0.028 0.000 0.993 87 E CA 1.193 57.565 56.400 -0.047 0.000 0.808 87 E CB -0.072 29.563 29.700 -0.108 0.000 0.764 87 E HN 0.806 nan 8.360 nan 0.000 0.449 88 D N 0.066 120.485 120.400 0.032 0.000 2.467 88 D HA 0.127 4.750 4.640 -0.029 0.000 0.220 88 D C 0.679 177.036 176.300 0.094 0.000 1.103 88 D CA -0.160 53.907 54.000 0.113 0.000 0.886 88 D CB 0.577 41.469 40.800 0.153 0.000 1.025 88 D HN -0.056 nan 8.370 nan 0.000 0.514 89 M N 2.211 121.849 119.600 0.063 0.000 2.617 89 M HA -0.175 4.288 4.480 -0.029 0.000 0.258 89 M C 1.691 177.996 176.300 0.008 0.000 1.067 89 M CA 0.821 56.137 55.300 0.026 0.000 1.057 89 M CB 0.191 32.787 32.600 -0.007 0.000 1.397 89 M HN 0.474 nan 8.290 nan 0.000 0.499 90 A N -0.522 122.312 122.820 0.024 0.000 2.119 90 A HA -0.110 4.192 4.320 -0.029 0.000 0.217 90 A C 1.806 179.415 177.584 0.042 0.000 1.153 90 A CA 1.237 53.289 52.037 0.024 0.000 0.692 90 A CB -0.329 18.692 19.000 0.034 0.000 0.799 90 A HN 0.459 nan 8.150 nan 0.000 0.458 91 E N -0.345 119.902 120.200 0.079 0.000 2.216 91 E HA 0.076 4.408 4.350 -0.029 0.000 0.192 91 E C -0.117 176.526 176.600 0.071 0.000 0.988 91 E CA -0.152 56.334 56.400 0.144 0.000 0.834 91 E CB -0.248 29.591 29.700 0.232 0.000 0.772 91 E HN 0.630 nan 8.360 nan 0.000 0.479 92 L N 1.742 122.892 121.223 -0.122 0.000 2.601 92 L HA -0.078 4.245 4.340 -0.029 0.000 0.277 92 L C 1.629 178.226 176.870 -0.455 0.000 1.219 92 L CA 0.259 54.768 54.840 -0.552 0.000 0.915 92 L CB 0.250 42.114 42.059 -0.326 0.000 1.160 92 L HN 0.178 nan 8.230 nan 0.000 0.494 93 T N -1.716 112.428 114.554 -0.684 0.000 2.995 93 T HA -0.028 4.305 4.350 -0.029 0.000 0.269 93 T C 0.587 175.184 174.700 -0.171 0.000 1.091 93 T CA 0.073 62.025 62.100 -0.246 0.000 1.128 93 T CB -0.283 68.537 68.868 -0.082 0.000 0.891 93 T HN 0.603 nan 8.240 nan 0.000 0.492 94 C N 1.812 120.977 119.300 -0.225 0.000 2.316 94 C HA 0.679 5.122 4.460 -0.029 0.000 0.324 94 C C -0.102 174.808 174.990 -0.132 0.000 1.226 94 C CA -1.570 57.376 59.018 -0.121 0.000 1.450 94 C CB -0.382 27.320 27.740 -0.063 0.000 2.123 94 C HN 0.515 nan 8.230 nan 0.000 0.454 95 L N 4.450 125.613 121.223 -0.100 0.000 2.257 95 L HA 0.402 4.724 4.340 -0.029 0.000 0.290 95 L C -0.462 176.345 176.870 -0.106 0.000 1.044 95 L CA 0.497 55.279 54.840 -0.096 0.000 0.810 95 L CB 0.441 42.469 42.059 -0.053 0.000 1.193 95 L HN 0.831 nan 8.230 nan 0.000 0.425 96 N N 1.474 120.077 118.700 -0.161 0.000 2.571 96 N HA 0.198 4.921 4.740 -0.029 0.000 0.273 96 N C 0.095 175.457 175.510 -0.247 0.000 1.340 96 N CA -0.826 52.096 53.050 -0.214 0.000 0.789 96 N CB 1.299 39.590 38.487 -0.325 0.000 1.514 96 N HN 0.380 nan 8.380 nan 0.000 0.499 97 E N 0.248 120.303 120.200 -0.243 0.000 2.204 97 E HA -0.084 4.248 4.350 -0.029 0.000 0.194 97 E C 1.059 177.432 176.600 -0.378 0.000 0.989 97 E CA 0.758 57.056 56.400 -0.171 0.000 0.824 97 E CB 0.089 29.783 29.700 -0.010 0.000 0.756 97 E HN 0.650 nan 8.360 nan 0.000 0.477 98 A N 0.017 122.310 122.820 -0.879 0.000 1.887 98 A HA -0.005 4.298 4.320 -0.029 0.000 0.212 98 A C 2.366 179.349 177.584 -1.003 0.000 1.198 98 A CA 0.839 52.002 52.037 -1.457 0.000 0.628 98 A CB -0.391 17.190 19.000 -2.365 0.000 0.847 98 A HN 0.130 nan 8.150 nan 0.000 0.449 99 S N -0.150 115.038 115.700 -0.853 0.000 2.377 99 S HA -0.207 4.245 4.470 -0.029 0.000 0.224 99 S C 1.940 176.383 174.600 -0.261 0.000 1.042 99 S CA 1.939 59.830 58.200 -0.514 0.000 1.086 99 S CB -0.553 62.469 63.200 -0.296 0.000 0.995 99 S HN 0.316 nan 8.310 nan 0.000 0.428 100 V N 2.300 122.092 119.914 -0.202 0.000 2.380 100 V HA -0.194 3.909 4.120 -0.029 0.000 0.251 100 V C 2.250 178.299 176.094 -0.075 0.000 1.063 100 V CA 1.961 64.200 62.300 -0.101 0.000 1.055 100 V CB -0.772 31.007 31.823 -0.074 0.000 0.657 100 V HN 0.553 nan 8.190 nan 0.000 0.455 101 L N -0.681 120.472 121.223 -0.116 0.000 2.046 101 L HA -0.219 4.104 4.340 -0.029 0.000 0.208 101 L C 2.455 179.342 176.870 0.028 0.000 1.077 101 L CA 2.301 57.117 54.840 -0.039 0.000 0.747 101 L CB -0.792 41.262 42.059 -0.008 0.000 0.896 101 L HN 0.435 nan 8.230 nan 0.000 0.432 102 H N -0.119 118.862 119.070 -0.148 0.000 2.274 102 H HA -0.264 4.274 4.556 -0.029 0.000 0.296 102 H C 2.119 177.478 175.328 0.051 0.000 1.061 102 H CA 2.101 58.129 56.048 -0.034 0.000 1.226 102 H CB -0.058 29.660 29.762 -0.073 0.000 1.370 102 H HN 0.471 nan 8.280 nan 0.000 0.507 103 N N 0.194 118.911 118.700 0.027 0.000 2.112 103 N HA -0.234 4.489 4.740 -0.029 0.000 0.200 103 N C 2.221 177.733 175.510 0.004 0.000 1.011 103 N CA 2.295 55.342 53.050 -0.005 0.000 0.891 103 N CB -0.413 38.092 38.487 0.031 0.000 1.060 103 N HN 0.321 nan 8.380 nan 0.000 0.478 104 L N -0.599 120.632 121.223 0.014 0.000 2.083 104 L HA -0.149 4.174 4.340 -0.029 0.000 0.209 104 L C 2.556 179.468 176.870 0.071 0.000 1.083 104 L CA 1.117 55.968 54.840 0.018 0.000 0.752 104 L CB -0.513 41.530 42.059 -0.027 0.000 0.899 104 L HN 0.249 nan 8.230 nan 0.000 0.433 105 R N 0.447 121.003 120.500 0.094 0.000 2.082 105 R HA -0.193 4.130 4.340 -0.029 0.000 0.234 105 R C 2.229 178.702 176.300 0.288 0.000 1.136 105 R CA 1.527 57.764 56.100 0.229 0.000 0.935 105 R CB -0.050 30.387 30.300 0.228 0.000 0.842 105 R HN 0.160 nan 8.270 nan 0.000 0.430 106 E N 0.424 120.684 120.200 0.100 0.000 1.995 106 E HA -0.205 4.127 4.350 -0.029 0.000 0.207 106 E C 1.930 178.620 176.600 0.150 0.000 1.016 106 E CA 1.994 58.449 56.400 0.091 0.000 0.865 106 E CB -0.359 29.316 29.700 -0.042 0.000 0.797 106 E HN 0.326 nan 8.360 nan 0.000 0.491 107 R N -0.463 120.102 120.500 0.107 0.000 2.153 107 R HA -0.261 4.062 4.340 -0.029 0.000 0.252 107 R C 2.472 178.868 176.300 0.159 0.000 1.158 107 R CA 1.792 57.964 56.100 0.120 0.000 0.975 107 R CB -0.912 29.446 30.300 0.097 0.000 0.871 107 R HN 0.278 nan 8.270 nan 0.000 0.450 108 Y N 1.254 121.557 120.300 0.005 0.000 2.070 108 Y HA -0.181 4.354 4.550 -0.025 0.000 0.279 108 Y C 1.877 177.746 175.900 -0.052 0.000 1.134 108 Y CA 1.071 59.116 58.100 -0.090 0.000 1.113 108 Y CB -0.743 37.567 38.460 -0.250 0.000 0.981 108 Y HN -0.131 nan 8.280 nan 0.000 0.487 109 F N 0.281 120.168 119.950 -0.105 0.000 2.664 109 F HA -0.109 4.404 4.527 -0.024 0.000 0.297 109 F C 2.027 177.787 175.800 -0.066 0.000 1.164 109 F CA 1.433 59.324 58.000 -0.182 0.000 1.472 109 F CB -0.433 38.542 39.000 -0.043 0.000 1.108 109 F HN 0.016 nan 8.300 nan 0.000 0.596 110 S N -1.341 114.451 115.700 0.152 0.000 2.578 110 S HA 0.406 4.859 4.470 -0.029 0.000 0.231 110 S C 1.716 176.450 174.600 0.223 0.000 0.994 110 S CA 0.360 58.653 58.200 0.155 0.000 0.956 110 S CB 0.513 63.789 63.200 0.126 0.000 0.870 110 S HN 0.492 nan 8.310 nan 0.000 0.494 111 G N 1.446 110.377 108.800 0.219 0.000 2.213 111 G HA2 -0.217 3.726 3.960 -0.029 0.000 0.236 111 G HA3 -0.217 3.726 3.960 -0.029 0.000 0.236 111 G C -0.139 174.910 174.900 0.248 0.000 0.991 111 G CA -0.280 45.043 45.100 0.371 0.000 0.629 111 G HN 0.438 nan 8.290 nan 0.000 0.517 112 L N 2.029 123.375 121.223 0.205 0.000 2.282 112 L HA 0.658 4.980 4.340 -0.029 0.000 0.288 112 L C 1.735 178.705 176.870 0.167 0.000 1.033 112 L CA -0.885 54.058 54.840 0.171 0.000 0.807 112 L CB 1.083 43.224 42.059 0.138 0.000 1.209 112 L HN 0.266 nan 8.230 nan 0.000 0.423 113 I N -1.015 119.664 120.570 0.183 0.000 3.393 113 I HA 0.126 4.279 4.170 -0.029 0.000 0.250 113 I C 0.098 176.265 176.117 0.083 0.000 1.122 113 I CA -0.004 61.365 61.300 0.116 0.000 1.484 113 I CB -0.165 37.853 38.000 0.029 0.000 1.468 113 I HN 0.256 nan 8.210 nan 0.000 0.461 114 Y N 4.821 125.109 120.300 -0.018 0.000 2.853 114 Y HA 0.100 4.635 4.550 -0.025 0.000 0.365 114 Y C 0.766 176.695 175.900 0.047 0.000 1.310 114 Y CA 0.328 58.424 58.100 -0.006 0.000 1.703 114 Y CB -0.900 37.534 38.460 -0.044 0.000 1.238 114 Y HN 0.234 nan 8.280 nan 0.000 0.510 115 T N 1.827 116.488 114.554 0.179 0.000 2.889 115 T HA 0.503 4.836 4.350 -0.029 0.000 0.278 115 T C -1.152 173.751 174.700 0.338 0.000 0.995 115 T CA -0.831 61.369 62.100 0.166 0.000 0.966 115 T CB 1.061 69.976 68.868 0.079 0.000 1.237 115 T HN 0.185 nan 8.240 nan 0.000 0.591 116 Y N 0.959 121.243 120.300 -0.027 0.000 2.425 116 Y HA 0.532 5.066 4.550 -0.026 0.000 0.344 116 Y C -0.183 175.622 175.900 -0.157 0.000 0.969 116 Y CA -1.756 56.302 58.100 -0.071 0.000 1.052 116 Y CB 1.944 40.386 38.460 -0.032 0.000 1.215 116 Y HN 0.670 nan 8.280 nan 0.000 0.451 117 S N 1.495 117.049 115.700 -0.242 0.000 2.746 117 S HA 0.627 5.080 4.470 -0.029 0.000 0.273 117 S C 0.458 174.524 174.600 -0.890 0.000 1.172 117 S CA -0.442 57.451 58.200 -0.510 0.000 1.116 117 S CB 1.033 63.855 63.200 -0.630 0.000 1.057 117 S HN 1.288 nan 8.310 nan 0.000 0.483 118 G N 3.054 111.615 108.800 -0.399 0.000 2.622 118 G HA2 -0.322 3.620 3.960 -0.029 0.000 0.307 118 G HA3 -0.322 3.620 3.960 -0.029 0.000 0.307 118 G C 0.608 175.410 174.900 -0.164 0.000 1.226 118 G CA 0.517 45.483 45.100 -0.225 0.000 0.997 118 G HN 0.736 nan 8.290 nan 0.000 0.551 119 L N 0.692 121.935 121.223 0.033 0.000 2.209 119 L HA 0.256 4.579 4.340 -0.029 0.000 0.207 119 L C 2.035 178.991 176.870 0.143 0.000 1.094 119 L CA 0.960 55.873 54.840 0.122 0.000 0.790 119 L CB -0.736 41.457 42.059 0.222 0.000 0.932 119 L HN 0.469 nan 8.230 nan 0.000 0.447 120 F N -0.001 119.994 119.950 0.075 0.000 2.291 120 F HA 0.483 4.991 4.527 -0.031 0.000 0.305 120 F C 0.161 175.942 175.800 -0.031 0.000 1.171 120 F CA -2.500 55.563 58.000 0.105 0.000 1.090 120 F CB -0.196 38.944 39.000 0.233 0.000 1.436 120 F HN -0.148 nan 8.300 nan 0.000 0.509 121 C N 1.056 120.390 119.300 0.056 0.000 2.608 121 C HA 0.811 5.253 4.460 -0.029 0.000 0.325 121 C C -0.530 174.468 174.990 0.014 0.000 1.147 121 C CA -0.644 58.328 59.018 -0.075 0.000 1.359 121 C CB 0.499 28.165 27.740 -0.123 0.000 1.912 121 C HN 0.839 nan 8.230 nan 0.000 0.466 122 V N 4.513 124.422 119.914 -0.009 0.000 3.003 122 V HA 0.518 4.621 4.120 -0.029 0.000 0.305 122 V C 0.340 176.378 176.094 -0.094 0.000 1.078 122 V CA -0.094 62.186 62.300 -0.034 0.000 1.083 122 V CB 1.635 33.435 31.823 -0.037 0.000 1.039 122 V HN 0.833 nan 8.190 nan 0.000 0.481 123 V N 4.295 124.099 119.914 -0.184 0.000 3.535 123 V HA 0.214 4.316 4.120 -0.029 0.000 0.439 123 V C -0.192 175.694 176.094 -0.346 0.000 1.462 123 V CA -0.454 61.644 62.300 -0.337 0.000 1.966 123 V CB 0.419 31.945 31.823 -0.496 0.000 1.026 123 V HN 0.715 nan 8.190 nan 0.000 0.579 124 I N 2.052 122.438 120.570 -0.308 0.000 3.115 124 I HA -0.112 4.041 4.170 -0.029 0.000 0.315 124 I C 1.021 176.895 176.117 -0.405 0.000 1.211 124 I CA 1.114 62.165 61.300 -0.414 0.000 1.453 124 I CB 0.089 37.720 38.000 -0.615 0.000 1.307 124 I HN 0.419 nan 8.210 nan 0.000 0.568 125 N N 7.844 126.281 118.700 -0.438 0.000 2.488 125 N HA 0.179 4.902 4.740 -0.029 0.000 0.274 125 N C -1.790 173.619 175.510 -0.169 0.000 1.111 125 N CA -1.925 50.897 53.050 -0.381 0.000 0.974 125 N CB 1.269 39.410 38.487 -0.576 0.000 1.089 125 N HN 0.272 nan 8.380 nan 0.000 0.465 126 P HA -0.009 nan 4.420 nan 0.000 0.217 126 P C -0.215 177.214 177.300 0.215 0.000 1.153 126 P CA 0.724 63.956 63.100 0.221 0.000 0.843 126 P CB 0.447 32.195 31.700 0.079 0.000 0.794 127 Y N -1.515 118.809 120.300 0.040 0.000 4.841 127 Y HA -0.211 4.326 4.550 -0.021 0.000 0.242 127 Y C 0.580 176.487 175.900 0.011 0.000 1.002 127 Y CA 0.541 58.652 58.100 0.018 0.000 2.011 127 Y CB -2.159 36.315 38.460 0.023 0.000 1.554 127 Y HN 0.098 nan 8.280 nan 0.000 0.618 128 K N 0.021 120.504 120.400 0.137 0.000 2.346 128 K HA 0.567 4.870 4.320 -0.029 0.000 0.238 128 K C -0.443 176.181 176.600 0.039 0.000 1.039 128 K CA -0.748 55.578 56.287 0.065 0.000 0.861 128 K CB 1.232 33.735 32.500 0.005 0.000 1.278 128 K HN -0.092 nan 8.250 nan 0.000 0.460 129 Q N 2.246 122.058 119.800 0.021 0.000 2.901 129 Q HA 0.316 4.639 4.340 -0.029 0.000 0.265 129 Q C -0.755 175.227 176.000 -0.030 0.000 1.263 129 Q CA -0.102 55.720 55.803 0.032 0.000 1.088 129 Q CB 0.229 28.998 28.738 0.052 0.000 1.339 129 Q HN 0.306 nan 8.270 nan 0.000 0.546 130 L N 2.414 123.570 121.223 -0.112 0.000 2.453 130 L HA 0.243 4.566 4.340 -0.029 0.000 0.272 130 L C -1.593 175.176 176.870 -0.168 0.000 1.182 130 L CA -1.649 53.004 54.840 -0.312 0.000 0.858 130 L CB 0.067 41.836 42.059 -0.483 0.000 1.120 130 L HN 0.279 nan 8.230 nan 0.000 0.474 131 P HA 0.118 nan 4.420 nan 0.000 0.219 131 P C 0.311 177.596 177.300 -0.025 0.000 1.832 131 P CA 0.086 63.194 63.100 0.013 0.000 1.014 131 P CB -0.100 31.661 31.700 0.102 0.000 1.939 132 I N -2.662 117.783 120.570 -0.208 0.000 4.102 132 I HA 0.326 4.479 4.170 -0.029 0.000 0.325 132 I C -1.200 174.705 176.117 -0.352 0.000 1.471 132 I CA -0.576 60.539 61.300 -0.309 0.000 1.133 132 I CB -0.040 37.699 38.000 -0.435 0.000 1.184 132 I HN -0.206 nan 8.210 nan 0.000 0.451 133 Y N 2.169 122.578 120.300 0.182 0.000 2.329 133 Y HA 0.686 5.221 4.550 -0.025 0.000 0.328 133 Y C 0.272 176.347 175.900 0.291 0.000 0.992 133 Y CA -0.829 57.477 58.100 0.342 0.000 1.151 133 Y CB 1.571 40.201 38.460 0.283 0.000 1.150 133 Y HN 0.308 nan 8.280 nan 0.000 0.450 134 S N 0.400 116.365 115.700 0.441 0.000 2.627 134 S HA 0.271 4.724 4.470 -0.029 0.000 0.268 134 S C 0.191 174.884 174.600 0.156 0.000 1.130 134 S CA -0.891 57.459 58.200 0.249 0.000 0.819 134 S CB 1.436 64.749 63.200 0.187 0.000 1.100 134 S HN 0.462 nan 8.310 nan 0.000 0.465 135 E N 0.922 121.191 120.200 0.115 0.000 2.171 135 E HA -0.092 4.241 4.350 -0.029 0.000 0.197 135 E C 1.677 178.312 176.600 0.058 0.000 0.997 135 E CA 1.894 58.338 56.400 0.073 0.000 0.810 135 E CB -0.121 29.656 29.700 0.128 0.000 0.738 135 E HN 0.578 nan 8.360 nan 0.000 0.467 136 K N -0.142 120.308 120.400 0.083 0.000 1.973 136 K HA -0.115 4.188 4.320 -0.029 0.000 0.210 136 K C 1.881 178.534 176.600 0.087 0.000 1.045 136 K CA 1.577 57.909 56.287 0.074 0.000 0.937 136 K CB -0.142 32.404 32.500 0.077 0.000 0.721 136 K HN 0.109 nan 8.250 nan 0.000 0.438 137 I N 1.894 122.549 120.570 0.141 0.000 2.315 137 I HA -0.285 3.868 4.170 -0.029 0.000 0.251 137 I C 2.191 178.490 176.117 0.302 0.000 1.125 137 I CA 1.241 62.679 61.300 0.231 0.000 1.392 137 I CB -1.316 36.870 38.000 0.310 0.000 1.065 137 I HN 0.226 nan 8.210 nan 0.000 0.424 138 I N 1.437 122.055 120.570 0.080 0.000 2.226 138 I HA -0.261 3.892 4.170 -0.029 0.000 0.245 138 I C 2.227 178.335 176.117 -0.015 0.000 1.100 138 I CA 1.621 62.842 61.300 -0.131 0.000 1.374 138 I CB -1.224 36.568 38.000 -0.346 0.000 1.057 138 I HN 0.197 nan 8.210 nan 0.000 0.413 139 D N 0.739 121.139 120.400 -0.000 0.000 2.078 139 D HA -0.165 4.458 4.640 -0.029 0.000 0.193 139 D C 2.332 178.663 176.300 0.051 0.000 0.990 139 D CA 1.104 55.110 54.000 0.011 0.000 0.827 139 D CB -0.307 40.504 40.800 0.017 0.000 0.975 139 D HN 0.188 nan 8.370 nan 0.000 0.451 140 M N -0.766 118.856 119.600 0.037 0.000 2.255 140 M HA -0.235 4.227 4.480 -0.029 0.000 0.259 140 M C 1.210 177.440 176.300 -0.116 0.000 1.071 140 M CA 1.450 56.713 55.300 -0.061 0.000 1.074 140 M CB -0.141 32.370 32.600 -0.149 0.000 1.384 140 M HN 0.169 nan 8.290 nan 0.000 0.415 141 Y N -0.986 119.393 120.300 0.131 0.000 2.481 141 Y HA 0.160 4.696 4.550 -0.023 0.000 0.258 141 Y C 0.897 176.921 175.900 0.206 0.000 1.103 141 Y CA -0.110 58.099 58.100 0.183 0.000 1.287 141 Y CB 0.204 38.830 38.460 0.276 0.000 1.108 141 Y HN 0.007 nan 8.280 nan 0.000 0.529 142 K N 0.770 121.348 120.400 0.296 0.000 2.437 142 K HA 0.143 4.446 4.320 -0.029 0.000 0.277 142 K C 1.243 177.944 176.600 0.169 0.000 1.073 142 K CA 1.274 57.686 56.287 0.207 0.000 1.105 142 K CB -0.358 32.178 32.500 0.061 0.000 0.881 142 K HN 0.504 nan 8.250 nan 0.000 0.475 143 G N 3.049 111.961 108.800 0.188 0.000 2.267 143 G HA2 -0.307 3.635 3.960 -0.029 0.000 0.257 143 G HA3 -0.307 3.635 3.960 -0.029 0.000 0.257 143 G C -0.104 174.868 174.900 0.120 0.000 0.998 143 G CA 0.414 45.591 45.100 0.129 0.000 0.620 143 G HN 0.559 nan 8.290 nan 0.000 0.529 144 K N 1.557 122.049 120.400 0.153 0.000 2.412 144 K HA 0.461 4.764 4.320 -0.029 0.000 0.284 144 K C 0.934 177.615 176.600 0.135 0.000 1.046 144 K CA 0.050 56.420 56.287 0.139 0.000 0.999 144 K CB 0.772 33.359 32.500 0.145 0.000 0.941 144 K HN 0.563 nan 8.250 nan 0.000 0.474 145 K N 2.342 122.786 120.400 0.073 0.000 2.213 145 K HA -0.084 4.218 4.320 -0.029 0.000 0.243 145 K C 0.888 177.494 176.600 0.009 0.000 1.085 145 K CA 0.538 56.816 56.287 -0.015 0.000 0.818 145 K CB 0.399 32.799 32.500 -0.168 0.000 1.106 145 K HN 0.400 nan 8.250 nan 0.000 0.520 146 R N -0.301 120.148 120.500 -0.085 0.000 2.061 146 R HA -0.082 4.241 4.340 -0.029 0.000 0.230 146 R C 2.242 178.595 176.300 0.088 0.000 1.140 146 R CA 2.169 58.297 56.100 0.046 0.000 0.940 146 R CB -1.011 29.318 30.300 0.049 0.000 0.839 146 R HN 0.752 nan 8.270 nan 0.000 0.429 147 H N 0.159 119.294 119.070 0.109 0.000 2.512 147 H HA 0.179 4.719 4.556 -0.028 0.000 0.279 147 H C 0.603 175.966 175.328 0.059 0.000 0.999 147 H CA 0.504 56.592 56.048 0.067 0.000 1.283 147 H CB -0.545 29.255 29.762 0.063 0.000 1.421 147 H HN 0.239 nan 8.280 nan 0.000 0.554 148 E N 0.607 121.141 120.200 0.557 0.000 2.482 148 E HA 0.068 4.401 4.350 -0.029 0.000 0.200 148 E C -0.123 176.582 176.600 0.174 0.000 1.147 148 E CA 0.202 56.808 56.400 0.344 0.000 0.912 148 E CB -0.029 29.823 29.700 0.253 0.000 0.938 148 E HN 0.394 nan 8.360 nan 0.000 0.519 149 M N -0.119 119.573 119.600 0.152 0.000 3.122 149 M HA 0.178 4.641 4.480 -0.029 0.000 0.267 149 M C -2.828 173.494 176.300 0.036 0.000 0.971 149 M CA -1.547 53.790 55.300 0.062 0.000 0.788 149 M CB 1.835 34.436 32.600 0.002 0.000 1.611 149 M HN -0.246 nan 8.290 nan 0.000 0.560 150 P HA 0.427 nan 4.420 nan 0.000 0.279 150 P C -2.790 174.489 177.300 -0.036 0.000 1.252 150 P CA -1.267 61.743 63.100 -0.150 0.000 0.811 150 P CB -0.601 30.870 31.700 -0.382 0.000 1.035 151 P HA 0.050 nan 4.420 nan 0.000 0.263 151 P C -0.224 177.091 177.300 0.025 0.000 1.195 151 P CA 1.124 64.150 63.100 -0.122 0.000 0.762 151 P CB 0.045 31.586 31.700 -0.264 0.000 0.799 152 H N 2.577 121.532 119.070 -0.192 0.000 3.068 152 H HA 0.129 4.671 4.556 -0.023 0.000 0.342 152 H C 0.451 175.425 175.328 -0.589 0.000 1.284 152 H CA -0.651 54.971 56.048 -0.710 0.000 1.181 152 H CB 1.749 30.992 29.762 -0.864 0.000 1.898 152 H HN 0.081 nan 8.280 nan 0.000 0.540 153 I N 3.059 122.829 120.570 -1.334 0.000 2.208 153 I HA -0.273 3.880 4.170 -0.029 0.000 0.245 153 I C 1.525 177.464 176.117 -0.298 0.000 1.097 153 I CA 1.480 62.508 61.300 -0.454 0.000 1.363 153 I CB -0.780 37.050 38.000 -0.284 0.000 1.051 153 I HN 0.544 nan 8.210 nan 0.000 0.413 154 Y N 0.633 120.781 120.300 -0.253 0.000 2.333 154 Y HA -0.070 4.462 4.550 -0.030 0.000 0.290 154 Y C 2.522 178.003 175.900 -0.698 0.000 1.144 154 Y CA 0.586 58.423 58.100 -0.437 0.000 1.228 154 Y CB -1.643 36.791 38.460 -0.044 0.000 0.985 154 Y HN 0.226 nan 8.280 nan 0.000 0.542 155 A N 0.282 122.870 122.820 -0.387 0.000 1.873 155 A HA -0.143 4.160 4.320 -0.029 0.000 0.215 155 A C 2.224 179.735 177.584 -0.123 0.000 1.186 155 A CA 1.772 53.670 52.037 -0.232 0.000 0.616 155 A CB -1.030 17.906 19.000 -0.106 0.000 0.823 155 A HN 0.361 nan 8.150 nan 0.000 0.442 156 I N 0.176 120.673 120.570 -0.123 0.000 2.315 156 I HA -0.218 3.935 4.170 -0.029 0.000 0.248 156 I C 2.867 178.914 176.117 -0.117 0.000 1.117 156 I CA 1.104 62.347 61.300 -0.095 0.000 1.404 156 I CB -0.360 37.595 38.000 -0.075 0.000 1.071 156 I HN 0.306 nan 8.210 nan 0.000 0.419 157 A N 0.273 122.963 122.820 -0.218 0.000 1.883 157 A HA -0.304 3.998 4.320 -0.029 0.000 0.217 157 A C 2.056 179.555 177.584 -0.141 0.000 1.186 157 A CA 2.496 54.391 52.037 -0.237 0.000 0.624 157 A CB -0.860 17.849 19.000 -0.486 0.000 0.822 157 A HN 0.420 nan 8.150 nan 0.000 0.444 158 D N -1.433 118.829 120.400 -0.230 0.000 2.149 158 D HA -0.064 4.559 4.640 -0.029 0.000 0.201 158 D C 2.051 178.419 176.300 0.113 0.000 0.972 158 D CA 1.666 55.724 54.000 0.097 0.000 0.835 158 D CB -0.002 40.902 40.800 0.172 0.000 0.966 158 D HN 0.408 nan 8.370 nan 0.000 0.476 159 T N -0.328 114.245 114.554 0.032 0.000 2.746 159 T HA -0.146 4.187 4.350 -0.029 0.000 0.267 159 T C 1.966 176.670 174.700 0.007 0.000 1.039 159 T CA 1.368 63.479 62.100 0.018 0.000 1.142 159 T CB -0.432 68.436 68.868 -0.000 0.000 0.866 159 T HN 0.196 nan 8.240 nan 0.000 0.444 160 A N 0.736 123.564 122.820 0.013 0.000 1.873 160 A HA -0.055 4.248 4.320 -0.029 0.000 0.215 160 A C 2.138 179.759 177.584 0.061 0.000 1.186 160 A CA 1.469 53.514 52.037 0.014 0.000 0.616 160 A CB -1.026 17.977 19.000 0.005 0.000 0.823 160 A HN 0.552 nan 8.150 nan 0.000 0.442 161 Y N 0.682 120.967 120.300 -0.024 0.000 2.145 161 Y HA -0.206 4.326 4.550 -0.030 0.000 0.286 161 Y C 2.417 178.269 175.900 -0.081 0.000 1.145 161 Y CA 2.278 60.353 58.100 -0.042 0.000 1.148 161 Y CB -0.453 37.982 38.460 -0.041 0.000 0.981 161 Y HN 0.293 nan 8.280 nan 0.000 0.507 162 R N -0.351 119.990 120.500 -0.265 0.000 2.148 162 R HA -0.054 4.269 4.340 -0.029 0.000 0.223 162 R C 2.474 178.643 176.300 -0.218 0.000 1.088 162 R CA 1.300 57.190 56.100 -0.350 0.000 0.985 162 R CB -0.544 29.653 30.300 -0.171 0.000 0.880 162 R HN 0.263 nan 8.270 nan 0.000 0.451 163 S N 0.354 115.978 115.700 -0.127 0.000 2.368 163 S HA -0.172 4.281 4.470 -0.029 0.000 0.225 163 S C 1.733 176.270 174.600 -0.104 0.000 1.030 163 S CA 1.551 59.696 58.200 -0.092 0.000 0.999 163 S CB -0.223 62.940 63.200 -0.061 0.000 0.844 163 S HN 0.497 nan 8.310 nan 0.000 0.459 164 M N 0.604 120.139 119.600 -0.108 0.000 2.086 164 M HA -0.099 4.364 4.480 -0.029 0.000 0.261 164 M C 1.798 178.030 176.300 -0.114 0.000 1.067 164 M CA 1.718 56.967 55.300 -0.085 0.000 1.116 164 M CB -0.400 32.192 32.600 -0.013 0.000 1.348 164 M HN 0.260 nan 8.290 nan 0.000 0.407 165 L N 0.570 121.664 121.223 -0.215 0.000 2.201 165 L HA -0.197 4.125 4.340 -0.029 0.000 0.212 165 L C 2.824 179.592 176.870 -0.168 0.000 1.105 165 L CA 1.056 55.753 54.840 -0.238 0.000 0.775 165 L CB -0.555 41.248 42.059 -0.426 0.000 0.913 165 L HN 0.417 nan 8.230 nan 0.000 0.440 166 Q N 0.160 119.868 119.800 -0.153 0.000 1.961 166 Q HA -0.135 4.188 4.340 -0.029 0.000 0.197 166 Q C 1.408 177.358 176.000 -0.083 0.000 0.977 166 Q CA 1.690 57.426 55.803 -0.111 0.000 0.830 166 Q CB -0.424 28.254 28.738 -0.100 0.000 0.896 166 Q HN 0.618 nan 8.270 nan 0.000 0.437 167 D N -0.254 120.101 120.400 -0.075 0.000 2.319 167 D HA 0.067 4.690 4.640 -0.029 0.000 0.230 167 D C -0.586 175.682 176.300 -0.053 0.000 1.094 167 D CA -0.237 53.727 54.000 -0.059 0.000 0.856 167 D CB -0.317 40.450 40.800 -0.055 0.000 0.915 167 D HN 0.019 nan 8.370 nan 0.000 0.517 168 R N 0.237 120.704 120.500 -0.056 0.000 2.672 168 R HA -0.214 4.109 4.340 -0.029 0.000 0.268 168 R C -0.648 175.631 176.300 -0.034 0.000 0.935 168 R CA 0.753 56.830 56.100 -0.039 0.000 0.776 168 R CB -1.641 28.642 30.300 -0.028 0.000 1.954 168 R HN 0.487 nan 8.270 nan 0.000 0.523 169 E N 1.567 121.741 120.200 -0.044 0.000 2.499 169 E HA 0.051 4.383 4.350 -0.029 0.000 0.327 169 E C -1.060 175.485 176.600 -0.091 0.000 0.929 169 E CA -0.573 55.796 56.400 -0.053 0.000 0.788 169 E CB 0.808 30.474 29.700 -0.056 0.000 1.452 169 E HN 0.252 nan 8.360 nan 0.000 0.387 170 D N 2.966 123.291 120.400 -0.125 0.000 2.563 170 D HA -0.077 4.546 4.640 -0.029 0.000 0.229 170 D C 0.003 176.103 176.300 -0.333 0.000 1.159 170 D CA 1.028 54.833 54.000 -0.325 0.000 0.869 170 D CB 0.734 41.203 40.800 -0.551 0.000 1.203 170 D HN 0.385 nan 8.370 nan 0.000 0.478 171 Q N -0.007 119.555 119.800 -0.396 0.000 2.552 171 Q HA 0.601 4.924 4.340 -0.029 0.000 0.289 171 Q C -0.599 175.245 176.000 -0.261 0.000 1.097 171 Q CA -0.920 54.730 55.803 -0.256 0.000 0.812 171 Q CB 2.115 30.771 28.738 -0.136 0.000 1.460 171 Q HN 0.496 nan 8.270 nan 0.000 0.452 172 S N -0.346 115.247 115.700 -0.178 0.000 2.572 172 S HA 0.676 5.128 4.470 -0.029 0.000 0.274 172 S C -0.969 173.517 174.600 -0.190 0.000 1.150 172 S CA -0.729 57.377 58.200 -0.158 0.000 0.944 172 S CB 0.567 63.716 63.200 -0.084 0.000 1.071 172 S HN 0.484 nan 8.310 nan 0.000 0.479 173 I N 3.325 123.790 120.570 -0.176 0.000 2.382 173 I HA 0.429 4.582 4.170 -0.029 0.000 0.286 173 I C -1.139 174.879 176.117 -0.165 0.000 1.002 173 I CA -0.779 60.420 61.300 -0.169 0.000 1.135 173 I CB 1.428 39.359 38.000 -0.114 0.000 1.288 173 I HN 0.598 nan 8.210 nan 0.000 0.448 174 L N 5.738 126.845 121.223 -0.194 0.000 2.319 174 L HA 0.569 4.892 4.340 -0.029 0.000 0.281 174 L C -0.718 176.150 176.870 -0.003 0.000 1.005 174 L CA -0.568 54.209 54.840 -0.103 0.000 0.828 174 L CB 1.195 43.182 42.059 -0.120 0.000 1.227 174 L HN 0.518 nan 8.230 nan 0.000 0.415 175 C N 1.638 120.932 119.300 -0.011 0.000 2.373 175 C HA 0.539 4.982 4.460 -0.029 0.000 0.354 175 C C 1.570 176.563 174.990 0.005 0.000 1.249 175 C CA -0.448 58.566 59.018 -0.007 0.000 1.784 175 C CB -0.371 27.338 27.740 -0.052 0.000 2.408 175 C HN 0.960 nan 8.230 nan 0.000 0.542 176 T N 1.463 116.026 114.554 0.015 0.000 3.560 176 T HA 0.694 5.027 4.350 -0.029 0.000 0.350 176 T C 0.608 175.285 174.700 -0.039 0.000 1.264 176 T CA 0.683 62.776 62.100 -0.011 0.000 0.924 176 T CB -0.007 68.816 68.868 -0.074 0.000 1.997 176 T HN 2.288 nan 8.240 nan 0.000 0.553 177 G N 0.674 109.448 108.800 -0.043 0.000 2.733 177 G HA2 0.056 3.998 3.960 -0.029 0.000 0.686 177 G HA3 0.056 3.998 3.960 -0.029 0.000 0.686 177 G C -0.541 174.362 174.900 0.004 0.000 1.373 177 G CA -0.200 44.871 45.100 -0.048 0.000 0.838 177 G HN 1.206 nan 8.290 nan 0.000 0.588 178 E N -0.275 119.934 120.200 0.013 0.000 2.342 178 E HA 0.588 4.921 4.350 -0.029 0.000 0.257 178 E C 0.825 177.449 176.600 0.040 0.000 1.150 178 E CA -0.183 56.271 56.400 0.091 0.000 0.926 178 E CB 0.813 30.599 29.700 0.143 0.000 1.074 178 E HN 1.192 nan 8.360 nan 0.000 0.449 179 S N 0.442 116.178 115.700 0.060 0.000 2.546 179 S HA 0.323 4.776 4.470 -0.029 0.000 0.290 179 S C 0.992 175.588 174.600 -0.007 0.000 1.262 179 S CA 0.606 58.813 58.200 0.011 0.000 1.083 179 S CB -0.898 62.306 63.200 0.007 0.000 0.859 179 S HN 1.101 nan 8.310 nan 0.000 0.495 180 G N 3.404 112.183 108.800 -0.034 0.000 2.231 180 G HA2 -0.170 3.773 3.960 -0.029 0.000 0.206 180 G HA3 -0.170 3.773 3.960 -0.029 0.000 0.206 180 G C 0.892 175.712 174.900 -0.133 0.000 0.996 180 G CA 0.176 45.252 45.100 -0.039 0.000 0.645 180 G HN 1.443 nan 8.290 nan 0.000 0.498 181 A N -0.094 122.640 122.820 -0.144 0.000 2.119 181 A HA 0.536 4.839 4.320 -0.029 0.000 0.217 181 A C 2.566 180.002 177.584 -0.246 0.000 1.153 181 A CA 2.568 54.477 52.037 -0.214 0.000 0.692 181 A CB -0.354 18.545 19.000 -0.169 0.000 0.799 181 A HN 2.409 nan 8.150 nan 0.000 0.458 182 G N -1.522 107.158 108.800 -0.199 0.000 2.705 182 G HA2 -0.215 3.728 3.960 -0.029 0.000 0.193 182 G HA3 -0.215 3.728 3.960 -0.029 0.000 0.193 182 G C 0.907 175.715 174.900 -0.153 0.000 1.015 182 G CA 0.638 45.620 45.100 -0.197 0.000 0.743 182 G HN 0.313 nan 8.290 nan 0.000 0.476 183 K N 0.245 120.565 120.400 -0.134 0.000 2.324 183 K HA -0.316 3.987 4.320 -0.029 0.000 0.215 183 K C 2.475 179.012 176.600 -0.105 0.000 0.924 183 K CA 3.208 59.431 56.287 -0.107 0.000 0.953 183 K CB -0.922 31.525 32.500 -0.088 0.000 1.058 183 K HN 0.498 nan 8.250 nan 0.000 0.504 184 T N 0.739 115.229 114.554 -0.107 0.000 2.545 184 T HA -0.175 4.158 4.350 -0.029 0.000 0.261 184 T C 1.475 176.115 174.700 -0.100 0.000 1.097 184 T CA 1.688 63.727 62.100 -0.101 0.000 1.189 184 T CB -0.384 68.423 68.868 -0.101 0.000 0.863 184 T HN 0.324 nan 8.240 nan 0.000 0.405 185 E N 1.558 121.692 120.200 -0.110 0.000 2.136 185 E HA -0.244 4.089 4.350 -0.029 0.000 0.208 185 E C 2.040 178.553 176.600 -0.145 0.000 1.035 185 E CA 1.429 57.751 56.400 -0.130 0.000 0.838 185 E CB -0.779 28.837 29.700 -0.140 0.000 0.748 185 E HN 0.619 nan 8.360 nan 0.000 0.459 186 N N -0.013 118.611 118.700 -0.127 0.000 2.166 186 N HA -0.101 4.621 4.740 -0.029 0.000 0.186 186 N C 1.814 177.279 175.510 -0.074 0.000 1.019 186 N CA 1.445 54.436 53.050 -0.099 0.000 0.856 186 N CB -0.152 38.270 38.487 -0.108 0.000 0.993 186 N HN 0.149 nan 8.380 nan 0.000 0.426 187 T N 1.638 116.146 114.554 -0.077 0.000 2.777 187 T HA -0.034 4.299 4.350 -0.029 0.000 0.266 187 T C 1.820 176.492 174.700 -0.048 0.000 1.040 187 T CA 0.862 62.924 62.100 -0.064 0.000 1.141 187 T CB 0.042 68.868 68.868 -0.070 0.000 0.868 187 T HN 0.221 nan 8.240 nan 0.000 0.444 188 K N 1.136 121.501 120.400 -0.059 0.000 2.097 188 K HA -0.053 4.249 4.320 -0.029 0.000 0.206 188 K C 2.340 178.931 176.600 -0.015 0.000 1.049 188 K CA 0.871 57.129 56.287 -0.047 0.000 0.933 188 K CB -0.082 32.377 32.500 -0.068 0.000 0.717 188 K HN 0.282 nan 8.250 nan 0.000 0.442 189 K N 0.824 121.208 120.400 -0.027 0.000 2.057 189 K HA -0.072 4.231 4.320 -0.029 0.000 0.206 189 K C 2.239 178.977 176.600 0.230 0.000 1.050 189 K CA 0.892 57.237 56.287 0.096 0.000 0.935 189 K CB -0.452 32.001 32.500 -0.079 0.000 0.715 189 K HN -0.027 nan 8.250 nan 0.000 0.439 190 V N 2.304 122.277 119.914 0.099 0.000 2.407 190 V HA -0.206 3.897 4.120 -0.029 0.000 0.248 190 V C 2.325 178.480 176.094 0.101 0.000 1.055 190 V CA 1.452 63.800 62.300 0.080 0.000 1.049 190 V CB -0.407 31.416 31.823 0.000 0.000 0.662 190 V HN 0.226 nan 8.190 nan 0.000 0.455 191 I N -0.136 120.467 120.570 0.055 0.000 2.333 191 I HA -0.231 3.921 4.170 -0.029 0.000 0.246 191 I C 2.614 178.746 176.117 0.025 0.000 1.106 191 I CA 1.624 62.940 61.300 0.027 0.000 1.411 191 I CB -0.675 37.316 38.000 -0.016 0.000 1.082 191 I HN 0.402 nan 8.210 nan 0.000 0.420 192 Q N 1.151 120.974 119.800 0.038 0.000 2.096 192 Q HA -0.288 4.035 4.340 -0.029 0.000 0.204 192 Q C 2.387 178.386 176.000 -0.002 0.000 0.982 192 Q CA 2.028 57.837 55.803 0.009 0.000 0.850 192 Q CB -0.395 28.378 28.738 0.060 0.000 0.901 192 Q HN 0.565 nan 8.270 nan 0.000 0.422 193 Y N 0.684 120.927 120.300 -0.095 0.000 2.163 193 Y HA -0.129 4.405 4.550 -0.027 0.000 0.288 193 Y C 1.885 177.691 175.900 -0.157 0.000 1.136 193 Y CA 1.473 59.457 58.100 -0.192 0.000 1.147 193 Y CB -0.221 38.159 38.460 -0.132 0.000 0.987 193 Y HN 0.112 nan 8.280 nan 0.000 0.509 194 L N -0.320 121.003 121.223 0.167 0.000 2.141 194 L HA -0.133 4.190 4.340 -0.029 0.000 0.209 194 L C 2.648 179.472 176.870 -0.076 0.000 1.094 194 L CA 0.990 55.842 54.840 0.021 0.000 0.763 194 L CB -0.676 41.435 42.059 0.087 0.000 0.908 194 L HN 0.349 nan 8.230 nan 0.000 0.437 195 A N -0.566 122.218 122.820 -0.060 0.000 2.019 195 A HA -0.161 4.141 4.320 -0.029 0.000 0.219 195 A C 2.148 179.698 177.584 -0.057 0.000 1.164 195 A CA 2.024 54.018 52.037 -0.071 0.000 0.644 195 A CB -0.527 18.386 19.000 -0.144 0.000 0.805 195 A HN 0.376 nan 8.150 nan 0.000 0.449 196 V N -4.628 115.195 119.914 -0.153 0.000 3.455 196 V HA 0.150 4.253 4.120 -0.029 0.000 0.250 196 V C 1.675 177.557 176.094 -0.353 0.000 1.230 196 V CA 0.998 63.131 62.300 -0.278 0.000 1.105 196 V CB 0.008 31.577 31.823 -0.424 0.000 0.850 196 V HN 0.058 nan 8.190 nan 0.000 0.461 197 V N 1.123 120.789 119.914 -0.414 0.000 3.573 197 V HA 0.449 4.552 4.120 -0.029 0.000 0.270 197 V C 1.943 177.879 176.094 -0.263 0.000 1.221 197 V CA 1.469 63.523 62.300 -0.410 0.000 1.163 197 V CB -0.065 31.349 31.823 -0.680 0.000 0.847 197 V HN 0.735 nan 8.190 nan 0.000 0.468 198 A N -1.781 120.905 122.820 -0.223 0.000 2.674 198 A HA 0.395 4.697 4.320 -0.029 0.000 0.274 198 A C 0.840 178.449 177.584 0.042 0.000 1.065 198 A CA -0.020 51.954 52.037 -0.105 0.000 0.978 198 A CB 0.374 19.151 19.000 -0.371 0.000 1.242 198 A HN 0.279 nan 8.150 nan 0.000 0.583 199 S N -0.212 115.454 115.700 -0.056 0.000 2.608 199 S HA 0.660 5.113 4.470 -0.029 0.000 0.261 199 S C 0.488 174.966 174.600 -0.203 0.000 1.314 199 S CA 0.168 58.325 58.200 -0.072 0.000 0.992 199 S CB 0.976 64.137 63.200 -0.064 0.000 0.935 199 S HN 0.475 nan 8.310 nan 0.000 0.564 214 S N -0.010 115.763 115.700 0.122 0.000 2.505 214 S HA 0.642 5.095 4.470 -0.029 0.000 0.276 214 S C -1.016 173.636 174.600 0.087 0.000 1.274 214 S CA 0.100 58.364 58.200 0.107 0.000 1.053 214 S CB -0.591 62.638 63.200 0.049 0.000 0.919 214 S HN 0.234 nan 8.310 nan 0.000 0.490 215 F N 2.240 122.098 119.950 -0.154 0.000 2.703 215 F HA 0.334 4.846 4.527 -0.026 0.000 0.308 215 F C -0.391 175.095 175.800 -0.524 0.000 1.126 215 F CA -0.778 56.987 58.000 -0.392 0.000 0.959 215 F CB 1.418 40.054 39.000 -0.606 0.000 1.297 215 F HN 0.322 nan 8.300 nan 0.000 0.441 216 S N 3.908 119.610 115.700 0.003 0.000 3.363 216 S HA 0.338 4.791 4.470 -0.029 0.000 0.267 216 S C -0.640 174.068 174.600 0.181 0.000 1.288 216 S CA -0.273 57.963 58.200 0.061 0.000 0.948 216 S CB -0.797 62.361 63.200 -0.070 0.000 1.397 216 S HN 0.395 nan 8.310 nan 0.000 0.493 217 Y N 0.985 121.422 120.300 0.228 0.000 2.262 217 Y HA 0.505 5.039 4.550 -0.026 0.000 0.368 217 Y C 1.644 177.567 175.900 0.038 0.000 1.352 217 Y CA -0.438 57.699 58.100 0.062 0.000 1.760 217 Y CB -0.485 37.958 38.460 -0.029 0.000 1.627 217 Y HN 0.467 nan 8.280 nan 0.000 0.606 218 G N -0.339 108.576 108.800 0.191 0.000 2.525 218 G HA2 0.094 4.037 3.960 -0.029 0.000 0.276 218 G HA3 0.094 4.037 3.960 -0.029 0.000 0.276 218 G C 0.486 175.440 174.900 0.089 0.000 1.388 218 G CA -0.353 44.803 45.100 0.094 0.000 1.050 218 G HN 0.633 nan 8.290 nan 0.000 0.520 219 E N -0.512 119.719 120.200 0.051 0.000 2.102 219 E HA -0.061 4.271 4.350 -0.029 0.000 0.190 219 E C 2.565 179.176 176.600 0.019 0.000 0.971 219 E CA 0.688 57.111 56.400 0.038 0.000 0.821 219 E CB -0.317 29.401 29.700 0.029 0.000 0.777 219 E HN 0.398 nan 8.360 nan 0.000 0.460 220 L N 0.456 121.688 121.223 0.014 0.000 2.179 220 L HA 0.083 4.406 4.340 -0.029 0.000 0.208 220 L C 1.769 178.624 176.870 -0.025 0.000 1.096 220 L CA 1.530 56.369 54.840 -0.002 0.000 0.779 220 L CB -0.465 41.598 42.059 0.007 0.000 0.922 220 L HN -0.206 nan 8.230 nan 0.000 0.443 221 E N 0.410 120.597 120.200 -0.022 0.000 2.204 221 E HA -0.128 4.205 4.350 -0.029 0.000 0.194 221 E C 2.065 178.567 176.600 -0.164 0.000 0.989 221 E CA 0.911 57.264 56.400 -0.078 0.000 0.824 221 E CB -0.238 29.443 29.700 -0.032 0.000 0.756 221 E HN 0.480 nan 8.360 nan 0.000 0.477 222 K N 0.221 120.568 120.400 -0.088 0.000 2.097 222 K HA -0.136 4.167 4.320 -0.029 0.000 0.205 222 K C 1.998 178.537 176.600 -0.103 0.000 1.050 222 K CA 1.233 57.463 56.287 -0.096 0.000 0.938 222 K CB 0.077 32.581 32.500 0.006 0.000 0.718 222 K HN 0.180 nan 8.250 nan 0.000 0.442 223 Q N 0.118 119.874 119.800 -0.074 0.000 2.165 223 Q HA -0.044 4.279 4.340 -0.029 0.000 0.197 223 Q C 1.867 177.817 176.000 -0.084 0.000 0.952 223 Q CA 0.349 56.110 55.803 -0.071 0.000 0.848 223 Q CB -0.024 28.688 28.738 -0.043 0.000 0.931 223 Q HN 0.115 nan 8.270 nan 0.000 0.470 224 L N 0.584 121.759 121.223 -0.079 0.000 2.357 224 L HA -0.174 4.148 4.340 -0.029 0.000 0.220 224 L C 1.394 178.204 176.870 -0.100 0.000 1.123 224 L CA 1.449 56.243 54.840 -0.077 0.000 0.782 224 L CB -0.185 41.833 42.059 -0.069 0.000 0.910 224 L HN 0.171 nan 8.230 nan 0.000 0.442 225 L N -1.236 119.905 121.223 -0.137 0.000 2.307 225 L HA 0.076 4.399 4.340 -0.029 0.000 0.211 225 L C 1.974 178.777 176.870 -0.112 0.000 1.099 225 L CA 1.071 55.817 54.840 -0.156 0.000 0.816 225 L CB -0.741 41.170 42.059 -0.245 0.000 0.952 225 L HN 0.349 nan 8.230 nan 0.000 0.455 226 Q N -1.312 118.425 119.800 -0.105 0.000 2.222 226 Q HA 0.307 4.630 4.340 -0.029 0.000 0.206 226 Q C 1.631 177.571 176.000 -0.101 0.000 0.877 226 Q CA 0.452 56.194 55.803 -0.102 0.000 0.958 226 Q CB 0.285 28.952 28.738 -0.118 0.000 1.075 226 Q HN 0.361 nan 8.270 nan 0.000 0.483 227 A N 0.329 123.104 122.820 -0.074 0.000 1.843 227 A HA -0.091 4.212 4.320 -0.029 0.000 0.213 227 A C 1.780 179.353 177.584 -0.019 0.000 1.202 227 A CA 1.114 53.121 52.037 -0.049 0.000 0.607 227 A CB -0.233 18.747 19.000 -0.032 0.000 0.847 227 A HN 0.367 nan 8.150 nan 0.000 0.445 228 N N -0.284 118.411 118.700 -0.008 0.000 2.396 228 N HA -0.050 4.673 4.740 -0.029 0.000 0.180 228 N C -1.186 174.333 175.510 0.015 0.000 1.028 228 N CA 0.972 54.038 53.050 0.026 0.000 0.893 228 N CB -0.456 38.039 38.487 0.015 0.000 0.967 228 N HN 0.384 nan 8.380 nan 0.000 0.440 229 P HA 0.015 nan 4.420 nan 0.000 0.237 229 P C 1.267 178.531 177.300 -0.061 0.000 1.178 229 P CA 0.683 63.769 63.100 -0.024 0.000 0.766 229 P CB 0.166 31.844 31.700 -0.036 0.000 0.876 230 I N -0.648 119.873 120.570 -0.081 0.000 2.685 230 I HA -0.036 4.117 4.170 -0.029 0.000 0.251 230 I C 2.310 178.357 176.117 -0.117 0.000 1.102 230 I CA 0.443 61.647 61.300 -0.160 0.000 1.442 230 I CB -0.430 37.480 38.000 -0.150 0.000 1.194 230 I HN -0.233 nan 8.210 nan 0.000 0.448 231 L N 0.446 121.716 121.223 0.078 0.000 2.353 231 L HA -0.130 4.193 4.340 -0.029 0.000 0.220 231 L C 1.995 179.104 176.870 0.398 0.000 1.133 231 L CA 1.302 56.330 54.840 0.313 0.000 0.798 231 L CB -0.848 41.458 42.059 0.412 0.000 0.922 231 L HN 0.348 nan 8.230 nan 0.000 0.445 232 E N 0.665 120.974 120.200 0.182 0.000 2.170 232 E HA -0.054 4.279 4.350 -0.029 0.000 0.191 232 E C 2.264 178.852 176.600 -0.021 0.000 0.981 232 E CA 0.746 57.215 56.400 0.116 0.000 0.830 232 E CB 0.055 29.785 29.700 0.050 0.000 0.775 232 E HN 0.489 nan 8.360 nan 0.000 0.470 233 A N 1.857 124.588 122.820 -0.149 0.000 1.952 233 A HA -0.164 4.139 4.320 -0.029 0.000 0.206 233 A C 0.746 178.210 177.584 -0.201 0.000 1.213 233 A CA 1.206 53.036 52.037 -0.346 0.000 0.690 233 A CB -1.082 17.515 19.000 -0.671 0.000 0.854 233 A HN 0.284 nan 8.150 nan 0.000 0.485 234 F N -1.226 118.794 119.950 0.116 0.000 2.515 234 F HA 0.606 5.115 4.527 -0.031 0.000 0.353 234 F C 1.081 177.094 175.800 0.355 0.000 1.213 234 F CA -0.296 57.844 58.000 0.233 0.000 1.194 234 F CB -0.285 38.852 39.000 0.228 0.000 1.488 234 F HN 0.414 nan 8.300 nan 0.000 0.619 235 G N 2.019 111.140 108.800 0.534 0.000 3.847 235 G HA2 -0.053 3.889 3.960 -0.029 0.000 0.189 235 G HA3 -0.053 3.889 3.960 -0.029 0.000 0.189 235 G C -0.466 174.610 174.900 0.294 0.000 0.907 235 G CA -0.599 44.653 45.100 0.253 0.000 0.893 235 G HN 0.431 nan 8.290 nan 0.000 0.379 236 N N 0.909 119.645 118.700 0.059 0.000 2.443 236 N HA 0.792 5.515 4.740 -0.029 0.000 0.295 236 N C -0.274 174.814 175.510 -0.703 0.000 1.076 236 N CA 0.635 53.528 53.050 -0.261 0.000 0.919 236 N CB 2.005 40.349 38.487 -0.237 0.000 1.176 236 N HN 0.714 nan 8.380 nan 0.000 0.487 237 A N 0.804 123.256 122.820 -0.613 0.000 2.604 237 A HA 0.419 4.721 4.320 -0.029 0.000 0.295 237 A C -1.098 176.455 177.584 -0.052 0.000 1.067 237 A CA -0.877 50.887 52.037 -0.455 0.000 0.683 237 A CB 0.926 19.722 19.000 -0.340 0.000 1.281 237 A HN 0.630 nan 8.150 nan 0.000 0.407 238 K N 1.206 121.746 120.400 0.234 0.000 2.412 238 K HA 0.370 4.673 4.320 -0.029 0.000 0.284 238 K C 0.327 176.958 176.600 0.051 0.000 1.046 238 K CA 0.946 57.306 56.287 0.123 0.000 0.999 238 K CB 0.218 32.752 32.500 0.057 0.000 0.941 238 K HN 0.940 nan 8.250 nan 0.000 0.474 239 T N -0.148 114.431 114.554 0.041 0.000 2.807 239 T HA 0.233 4.566 4.350 -0.029 0.000 0.277 239 T C 0.673 175.388 174.700 0.024 0.000 1.006 239 T CA -0.410 61.724 62.100 0.058 0.000 1.006 239 T CB 1.124 70.043 68.868 0.085 0.000 1.274 239 T HN 0.462 nan 8.240 nan 0.000 0.569 240 V N -0.096 119.822 119.914 0.006 0.000 3.478 240 V HA 0.443 4.546 4.120 -0.029 0.000 0.323 240 V C 0.398 176.438 176.094 -0.089 0.000 1.241 240 V CA 0.421 62.694 62.300 -0.045 0.000 1.274 240 V CB -2.092 29.698 31.823 -0.056 0.000 1.115 240 V HN 0.930 nan 8.190 nan 0.000 0.424 241 K N -0.077 120.284 120.400 -0.064 0.000 2.744 241 K HA 0.340 4.643 4.320 -0.029 0.000 0.165 241 K C -0.246 176.358 176.600 0.007 0.000 1.171 241 K CA -0.198 56.066 56.287 -0.040 0.000 1.150 241 K CB 0.012 32.445 32.500 -0.111 0.000 0.862 241 K HN 0.282 nan 8.250 nan 0.000 0.460 242 N N 1.441 120.151 118.700 0.017 0.000 4.190 242 N HA -0.022 4.700 4.740 -0.029 0.000 0.184 242 N C -0.818 174.717 175.510 0.042 0.000 1.230 242 N CA -0.065 53.005 53.050 0.034 0.000 0.927 242 N CB 1.452 39.944 38.487 0.008 0.000 1.653 242 N HN 0.062 nan 8.380 nan 0.000 0.832 243 D N 1.042 121.474 120.400 0.053 0.000 2.182 243 D HA -0.143 4.480 4.640 -0.029 0.000 0.201 243 D C 0.206 176.581 176.300 0.126 0.000 0.986 243 D CA 1.359 55.391 54.000 0.054 0.000 0.847 243 D CB 0.364 41.186 40.800 0.037 0.000 0.942 243 D HN 0.527 nan 8.370 nan 0.000 0.467 244 N N -0.241 118.530 118.700 0.118 0.000 2.707 244 N HA 0.024 4.747 4.740 -0.029 0.000 0.249 244 N C -1.681 173.827 175.510 -0.004 0.000 1.299 244 N CA -0.247 52.888 53.050 0.143 0.000 0.769 244 N CB 1.177 39.784 38.487 0.200 0.000 1.236 244 N HN -0.290 nan 8.380 nan 0.000 0.524 245 S N 1.427 117.093 115.700 -0.055 0.000 2.513 245 S HA 0.316 4.769 4.470 -0.029 0.000 0.276 245 S C -0.078 174.420 174.600 -0.170 0.000 1.254 245 S CA -0.462 57.682 58.200 -0.093 0.000 1.053 245 S CB 0.491 63.654 63.200 -0.061 0.000 0.958 245 S HN 0.458 nan 8.310 nan 0.000 0.491 246 S N 3.899 119.481 115.700 -0.197 0.000 2.465 246 S HA 0.142 4.595 4.470 -0.029 0.000 0.307 246 S C 0.618 175.026 174.600 -0.320 0.000 1.187 246 S CA -0.226 57.764 58.200 -0.351 0.000 1.141 246 S CB -0.142 62.826 63.200 -0.386 0.000 1.108 246 S HN 0.578 nan 8.310 nan 0.000 0.525 247 R N 3.181 123.555 120.500 -0.210 0.000 3.192 247 R HA 0.315 4.638 4.340 -0.029 0.000 0.264 247 R C -0.659 175.791 176.300 0.250 0.000 1.464 247 R CA -0.166 55.915 56.100 -0.030 0.000 1.309 247 R CB -0.962 29.236 30.300 -0.171 0.000 1.283 247 R HN 0.607 nan 8.270 nan 0.000 0.584 248 F N -5.640 114.300 119.950 -0.017 0.000 2.878 248 F HA 0.507 5.046 4.527 0.022 0.000 0.322 248 F C -0.100 175.772 175.800 0.119 0.000 1.154 248 F CA -1.718 56.313 58.000 0.051 0.000 0.896 248 F CB 0.185 39.224 39.000 0.064 0.000 1.313 248 F HN -0.119 nan 8.300 nan 0.000 0.451 249 G N 0.707 109.726 108.800 0.366 0.000 2.476 249 G HA2 0.542 4.485 3.960 -0.029 0.000 0.269 249 G HA3 0.542 4.485 3.960 -0.029 0.000 0.269 249 G C -1.643 173.584 174.900 0.545 0.000 1.195 249 G CA -0.749 44.560 45.100 0.349 0.000 0.843 249 G HN 0.914 nan 8.290 nan 0.000 0.545 250 K N 0.388 121.024 120.400 0.393 0.000 2.535 250 K HA 0.500 4.802 4.320 -0.029 0.000 0.251 250 K C -2.220 174.617 176.600 0.396 0.000 0.942 250 K CA -0.829 55.697 56.287 0.399 0.000 0.798 250 K CB 1.742 34.360 32.500 0.197 0.000 1.267 250 K HN 0.329 nan 8.250 nan 0.000 0.434 251 F N 6.252 126.368 119.950 0.277 0.000 2.810 251 F HA 0.426 4.922 4.527 -0.052 0.000 0.373 251 F C -1.400 174.474 175.800 0.123 0.000 1.174 251 F CA -0.731 57.388 58.000 0.198 0.000 1.141 251 F CB 0.528 39.699 39.000 0.284 0.000 1.420 251 F HN 0.368 nan 8.300 nan 0.000 0.518 252 I N 4.963 125.448 120.570 -0.142 0.000 2.441 252 I HA 0.339 4.492 4.170 -0.029 0.000 0.287 252 I C 0.037 176.025 176.117 -0.215 0.000 1.049 252 I CA -0.022 61.217 61.300 -0.101 0.000 1.381 252 I CB 1.071 39.019 38.000 -0.087 0.000 1.409 252 I HN 0.511 nan 8.210 nan 0.000 0.523 253 R N 6.869 127.341 120.500 -0.046 0.000 2.388 253 R HA 0.645 4.968 4.340 -0.029 0.000 0.314 253 R C -1.509 174.783 176.300 -0.014 0.000 0.959 253 R CA -0.580 55.539 56.100 0.031 0.000 0.851 253 R CB 0.781 31.168 30.300 0.144 0.000 1.168 253 R HN 0.578 nan 8.270 nan 0.000 0.472 254 I N 3.588 124.109 120.570 -0.082 0.000 2.353 254 I HA 0.233 4.385 4.170 -0.029 0.000 0.293 254 I C -0.178 175.704 176.117 -0.392 0.000 0.992 254 I CA -0.523 60.632 61.300 -0.242 0.000 1.268 254 I CB 1.604 39.402 38.000 -0.336 0.000 1.387 254 I HN 0.518 nan 8.210 nan 0.000 0.478 255 N N 6.696 125.224 118.700 -0.286 0.000 2.469 255 N HA 0.354 5.077 4.740 -0.029 0.000 0.253 255 N C -0.996 174.427 175.510 -0.145 0.000 0.970 255 N CA -0.360 52.575 53.050 -0.192 0.000 0.940 255 N CB 1.136 39.600 38.487 -0.039 0.000 1.128 255 N HN 0.215 nan 8.380 nan 0.000 0.503 256 F N 0.889 120.924 119.950 0.141 0.000 2.378 256 F HA 0.240 4.750 4.527 -0.029 0.000 0.325 256 F C 1.404 177.261 175.800 0.096 0.000 1.097 256 F CA -1.007 57.070 58.000 0.129 0.000 1.079 256 F CB 0.632 39.722 39.000 0.150 0.000 1.240 256 F HN 0.388 nan 8.300 nan 0.000 0.519 257 D N -0.401 120.172 120.400 0.289 0.000 2.539 257 D HA 0.178 4.800 4.640 -0.029 0.000 0.280 257 D C 0.878 177.229 176.300 0.084 0.000 1.208 257 D CA -0.428 53.665 54.000 0.156 0.000 1.088 257 D CB 0.002 40.887 40.800 0.143 0.000 1.149 257 D HN 0.242 nan 8.370 nan 0.000 0.596 258 V N -2.022 117.913 119.914 0.035 0.000 3.444 258 V HA 0.021 4.124 4.120 -0.029 0.000 0.271 258 V C 1.072 177.113 176.094 -0.088 0.000 1.188 258 V CA 1.125 63.419 62.300 -0.010 0.000 1.168 258 V CB -1.561 30.261 31.823 -0.002 0.000 0.810 258 V HN 0.637 nan 8.190 nan 0.000 0.500 259 T N -0.219 114.235 114.554 -0.166 0.000 3.331 259 T HA 0.492 4.824 4.350 -0.029 0.000 0.282 259 T C 1.365 175.647 174.700 -0.696 0.000 1.010 259 T CA 0.174 62.022 62.100 -0.420 0.000 0.928 259 T CB 0.370 68.950 68.868 -0.480 0.000 1.154 259 T HN 0.737 nan 8.240 nan 0.000 0.516 260 G N 1.576 110.184 108.800 -0.320 0.000 2.337 260 G HA2 -0.288 3.655 3.960 -0.029 0.000 0.290 260 G HA3 -0.288 3.655 3.960 -0.029 0.000 0.290 260 G C -0.276 174.567 174.900 -0.095 0.000 1.003 260 G CA 0.309 45.272 45.100 -0.228 0.000 0.825 260 G HN 0.567 nan 8.290 nan 0.000 0.509 261 Y N -0.979 119.412 120.300 0.151 0.000 2.420 261 Y HA 0.630 5.162 4.550 -0.030 0.000 0.334 261 Y C 1.125 177.215 175.900 0.316 0.000 1.094 261 Y CA -2.397 55.801 58.100 0.163 0.000 1.126 261 Y CB 0.895 39.420 38.460 0.108 0.000 1.217 261 Y HN 0.104 nan 8.280 nan 0.000 0.462 262 I N 2.044 122.901 120.570 0.478 0.000 2.634 262 I HA 0.058 4.211 4.170 -0.029 0.000 0.284 262 I C 0.759 177.006 176.117 0.216 0.000 1.124 262 I CA 0.438 61.958 61.300 0.367 0.000 1.417 262 I CB 1.076 39.219 38.000 0.238 0.000 1.396 262 I HN 0.601 nan 8.210 nan 0.000 0.571 263 V N 4.439 124.437 119.914 0.140 0.000 3.221 263 V HA 0.479 4.582 4.120 -0.029 0.000 0.254 263 V C 0.207 176.327 176.094 0.044 0.000 1.586 263 V CA 0.747 63.103 62.300 0.094 0.000 1.074 263 V CB 0.983 32.869 31.823 0.106 0.000 0.912 263 V HN 0.793 nan 8.190 nan 0.000 0.426 264 G N -0.123 108.688 108.800 0.018 0.000 2.704 264 G HA2 0.841 4.783 3.960 -0.029 0.000 0.293 264 G HA3 0.841 4.783 3.960 -0.029 0.000 0.293 264 G C -1.348 173.530 174.900 -0.037 0.000 1.421 264 G CA -0.136 44.958 45.100 -0.010 0.000 0.870 264 G HN 1.188 nan 8.290 nan 0.000 0.492 265 A N 0.613 123.411 122.820 -0.037 0.000 2.517 265 A HA 0.822 5.125 4.320 -0.029 0.000 0.297 265 A C -1.287 176.277 177.584 -0.033 0.000 1.050 265 A CA -0.730 51.280 52.037 -0.044 0.000 0.694 265 A CB 2.064 21.039 19.000 -0.042 0.000 1.277 265 A HN 0.654 nan 8.150 nan 0.000 0.400 266 N N -0.084 118.604 118.700 -0.021 0.000 2.242 266 N HA 0.780 5.503 4.740 -0.029 0.000 0.292 266 N C -1.436 174.099 175.510 0.042 0.000 1.125 266 N CA -0.330 52.716 53.050 -0.006 0.000 0.783 266 N CB 1.753 40.228 38.487 -0.020 0.000 1.558 266 N HN 0.574 nan 8.380 nan 0.000 0.472 267 I N 0.573 121.166 120.570 0.038 0.000 2.498 267 I HA 0.358 4.511 4.170 -0.029 0.000 0.290 267 I C -0.522 175.627 176.117 0.052 0.000 1.032 267 I CA -0.823 60.529 61.300 0.087 0.000 1.073 267 I CB 2.101 40.141 38.000 0.066 0.000 1.251 267 I HN 0.444 nan 8.210 nan 0.000 0.426 268 E N 4.620 124.891 120.200 0.119 0.000 2.121 268 E HA 0.213 4.546 4.350 -0.029 0.000 0.255 268 E C -0.475 175.950 176.600 -0.293 0.000 0.906 268 E CA -0.434 55.902 56.400 -0.107 0.000 0.745 268 E CB 1.137 30.796 29.700 -0.069 0.000 1.155 268 E HN 0.553 nan 8.360 nan 0.000 0.424 269 T N 4.040 118.448 114.554 -0.244 0.000 2.901 269 T HA 0.262 4.595 4.350 -0.029 0.000 0.301 269 T C -1.032 173.494 174.700 -0.290 0.000 1.012 269 T CA 0.176 62.258 62.100 -0.031 0.000 1.135 269 T CB 0.062 68.956 68.868 0.042 0.000 0.936 269 T HN 0.392 nan 8.240 nan 0.000 0.539 270 Y N 3.861 124.352 120.300 0.318 0.000 2.477 270 Y HA 0.465 5.004 4.550 -0.018 0.000 0.347 270 Y C 0.299 176.314 175.900 0.192 0.000 0.981 270 Y CA -1.835 56.396 58.100 0.219 0.000 1.033 270 Y CB 1.396 39.981 38.460 0.208 0.000 1.245 270 Y HN 0.676 nan 8.280 nan 0.000 0.455 271 L N 1.972 123.315 121.223 0.200 0.000 3.844 271 L HA -0.236 4.086 4.340 -0.029 0.000 0.580 271 L C -0.623 176.321 176.870 0.123 0.000 1.156 271 L CA 0.107 54.975 54.840 0.047 0.000 0.848 271 L CB -1.123 40.879 42.059 -0.094 0.000 1.283 271 L HN 0.531 nan 8.230 nan 0.000 0.803 272 L N 2.436 123.712 121.223 0.088 0.000 2.454 272 L HA 0.158 4.481 4.340 -0.029 0.000 0.284 272 L C 1.279 178.222 176.870 0.121 0.000 1.139 272 L CA 0.603 55.458 54.840 0.026 0.000 0.911 272 L CB 0.507 42.445 42.059 -0.201 0.000 1.262 272 L HN 0.334 nan 8.230 nan 0.000 0.453 273 E N 3.343 123.651 120.200 0.181 0.000 2.443 273 E HA -0.095 4.238 4.350 -0.029 0.000 0.310 273 E C 0.512 177.335 176.600 0.370 0.000 1.202 273 E CA -0.138 56.365 56.400 0.172 0.000 1.301 273 E CB 0.294 30.044 29.700 0.082 0.000 1.104 273 E HN 0.690 nan 8.360 nan 0.000 0.487 274 K N -0.613 119.971 120.400 0.306 0.000 2.288 274 K HA -0.046 4.257 4.320 -0.029 0.000 0.201 274 K C 1.551 178.222 176.600 0.119 0.000 1.048 274 K CA 0.700 57.122 56.287 0.225 0.000 0.956 274 K CB -0.113 32.495 32.500 0.180 0.000 0.746 274 K HN 0.029 nan 8.250 nan 0.000 0.461 275 S N 1.534 117.293 115.700 0.098 0.000 2.512 275 S HA -0.230 4.223 4.470 -0.029 0.000 0.253 275 S C 1.677 176.308 174.600 0.051 0.000 0.984 275 S CA 1.687 59.916 58.200 0.048 0.000 0.962 275 S CB -0.498 62.724 63.200 0.038 0.000 0.747 275 S HN 0.637 nan 8.310 nan 0.000 0.525 276 R N 0.526 121.093 120.500 0.112 0.000 2.334 276 R HA 0.465 4.788 4.340 -0.029 0.000 0.212 276 R C 1.948 178.308 176.300 0.099 0.000 0.897 276 R CA 0.631 56.798 56.100 0.111 0.000 1.056 276 R CB -0.277 30.098 30.300 0.125 0.000 1.046 276 R HN 0.226 nan 8.270 nan 0.000 0.513 277 A N 2.003 124.840 122.820 0.027 0.000 2.015 277 A HA -0.051 4.252 4.320 -0.029 0.000 0.219 277 A C 2.089 179.402 177.584 -0.451 0.000 1.163 277 A CA 1.348 53.247 52.037 -0.230 0.000 0.646 277 A CB -0.476 18.231 19.000 -0.488 0.000 0.806 277 A HN 0.556 nan 8.150 nan 0.000 0.448 278 I N -4.228 116.188 120.570 -0.256 0.000 2.339 278 I HA 0.201 4.354 4.170 -0.029 0.000 0.245 278 I C 0.739 176.910 176.117 0.091 0.000 1.096 278 I CA 0.558 61.785 61.300 -0.120 0.000 1.408 278 I CB 0.078 38.103 38.000 0.042 0.000 1.092 278 I HN 0.001 nan 8.210 nan 0.000 0.423 279 R N 1.371 121.906 120.500 0.057 0.000 2.695 279 R HA 0.327 4.650 4.340 -0.029 0.000 0.288 279 R C -1.392 174.951 176.300 0.072 0.000 1.344 279 R CA -0.440 55.712 56.100 0.088 0.000 1.005 279 R CB 1.522 31.877 30.300 0.092 0.000 1.233 279 R HN 0.240 nan 8.270 nan 0.000 0.442 280 Q N 1.504 121.355 119.800 0.085 0.000 2.293 280 Q HA 0.534 4.857 4.340 -0.029 0.000 0.251 280 Q C 0.387 176.439 176.000 0.088 0.000 0.930 280 Q CA -0.350 55.508 55.803 0.091 0.000 0.893 280 Q CB 1.064 29.876 28.738 0.124 0.000 1.215 280 Q HN 0.617 nan 8.270 nan 0.000 0.425 281 A N 2.392 125.261 122.820 0.080 0.000 2.339 281 A HA 0.039 4.342 4.320 -0.029 0.000 0.272 281 A C 0.145 177.783 177.584 0.090 0.000 1.182 281 A CA -0.238 51.850 52.037 0.084 0.000 0.819 281 A CB 0.084 19.143 19.000 0.099 0.000 1.115 281 A HN 0.672 nan 8.150 nan 0.000 0.512 282 K N 0.363 120.816 120.400 0.087 0.000 2.412 282 K HA 0.064 4.367 4.320 -0.029 0.000 0.284 282 K C -0.905 175.736 176.600 0.069 0.000 1.046 282 K CA 0.693 57.024 56.287 0.074 0.000 0.999 282 K CB -0.166 32.374 32.500 0.067 0.000 0.941 282 K HN 0.604 nan 8.250 nan 0.000 0.474 283 D N 2.591 123.026 120.400 0.057 0.000 2.746 283 D HA -0.155 4.468 4.640 -0.029 0.000 0.236 283 D C -0.923 175.401 176.300 0.040 0.000 1.129 283 D CA 1.189 55.212 54.000 0.039 0.000 0.691 283 D CB -0.767 40.049 40.800 0.026 0.000 1.077 283 D HN 0.699 nan 8.370 nan 0.000 0.432 284 E N -0.901 119.334 120.200 0.059 0.000 2.456 284 E HA 0.698 5.031 4.350 -0.029 0.000 0.276 284 E C 0.117 176.771 176.600 0.089 0.000 0.981 284 E CA -1.014 55.425 56.400 0.065 0.000 0.814 284 E CB 2.189 31.944 29.700 0.090 0.000 1.382 284 E HN 0.012 nan 8.360 nan 0.000 0.459 285 R N -0.376 120.186 120.500 0.103 0.000 2.888 285 R HA 0.570 4.893 4.340 -0.029 0.000 0.264 285 R C -0.307 176.164 176.300 0.286 0.000 1.045 285 R CA -0.842 55.390 56.100 0.221 0.000 0.962 285 R CB 1.084 31.381 30.300 -0.005 0.000 1.210 285 R HN 0.526 nan 8.270 nan 0.000 0.479 286 T N -0.781 114.082 114.554 0.516 0.000 2.865 286 T HA 0.315 4.648 4.350 -0.029 0.000 0.302 286 T C 0.193 175.230 174.700 0.562 0.000 1.078 286 T CA -0.590 61.829 62.100 0.531 0.000 0.942 286 T CB 0.076 69.298 68.868 0.590 0.000 1.387 286 T HN 0.249 nan 8.240 nan 0.000 0.557 287 F N 1.708 121.826 119.950 0.280 0.000 2.504 287 F HA 0.155 4.666 4.527 -0.026 0.000 0.365 287 F C 1.983 177.822 175.800 0.066 0.000 1.140 287 F CA -0.271 57.737 58.000 0.013 0.000 1.077 287 F CB -1.564 37.288 39.000 -0.248 0.000 1.106 287 F HN 0.662 nan 8.300 nan 0.000 0.578 288 H N 1.352 120.478 119.070 0.093 0.000 2.329 288 H HA -0.357 4.185 4.556 -0.024 0.000 0.272 288 H C 2.296 177.506 175.328 -0.196 0.000 1.156 288 H CA 1.780 57.796 56.048 -0.053 0.000 1.146 288 H CB -0.198 29.344 29.762 -0.366 0.000 1.396 288 H HN 0.581 nan 8.280 nan 0.000 0.480 289 I N 1.058 121.481 120.570 -0.245 0.000 2.290 289 I HA -0.307 3.845 4.170 -0.029 0.000 0.253 289 I C 1.757 177.951 176.117 0.128 0.000 1.112 289 I CA 1.333 62.559 61.300 -0.124 0.000 1.377 289 I CB -0.551 37.524 38.000 0.125 0.000 1.060 289 I HN 0.108 nan 8.210 nan 0.000 0.428 290 F N 0.105 120.192 119.950 0.230 0.000 2.069 290 F HA -0.241 4.269 4.527 -0.028 0.000 0.298 290 F C 2.345 178.148 175.800 0.005 0.000 1.113 290 F CA 2.093 60.108 58.000 0.025 0.000 1.214 290 F CB -1.631 37.270 39.000 -0.165 0.000 0.978 290 F HN 0.133 nan 8.300 nan 0.000 0.474 291 Y N -2.205 118.343 120.300 0.414 0.000 2.242 291 Y HA -0.204 4.329 4.550 -0.029 0.000 0.291 291 Y C 2.365 178.566 175.900 0.502 0.000 1.137 291 Y CA 0.751 59.170 58.100 0.531 0.000 1.181 291 Y CB -1.417 37.423 38.460 0.634 0.000 0.989 291 Y HN -0.008 nan 8.280 nan 0.000 0.527 292 Y N -0.668 119.863 120.300 0.386 0.000 2.256 292 Y HA -0.208 4.325 4.550 -0.028 0.000 0.288 292 Y C 2.298 178.123 175.900 -0.124 0.000 1.155 292 Y CA 0.472 58.748 58.100 0.295 0.000 1.203 292 Y CB -0.923 37.825 38.460 0.480 0.000 0.980 292 Y HN 0.186 nan 8.280 nan 0.000 0.530 293 L N -0.032 121.195 121.223 0.007 0.000 2.084 293 L HA -0.026 4.297 4.340 -0.029 0.000 0.202 293 L C 2.088 178.742 176.870 -0.361 0.000 1.074 293 L CA 1.363 55.921 54.840 -0.470 0.000 0.757 293 L CB -0.960 41.073 42.059 -0.043 0.000 0.918 293 L HN 0.110 nan 8.230 nan 0.000 0.444 294 I N -0.080 120.363 120.570 -0.212 0.000 2.502 294 I HA -0.296 3.857 4.170 -0.029 0.000 0.258 294 I C 2.113 178.169 176.117 -0.101 0.000 1.172 294 I CA 1.297 62.404 61.300 -0.321 0.000 1.430 294 I CB -0.674 36.797 38.000 -0.881 0.000 1.086 294 I HN 0.415 nan 8.210 nan 0.000 0.440 295 A N -0.036 122.807 122.820 0.039 0.000 2.127 295 A HA 0.326 4.629 4.320 -0.029 0.000 0.204 295 A C 2.216 179.768 177.584 -0.054 0.000 1.243 295 A CA 0.651 52.754 52.037 0.110 0.000 0.887 295 A CB -0.424 18.740 19.000 0.274 0.000 0.933 295 A HN 0.352 nan 8.150 nan 0.000 0.479 296 G N -0.050 108.578 108.800 -0.288 0.000 2.777 296 G HA2 0.391 4.334 3.960 -0.029 0.000 0.211 296 G HA3 0.391 4.334 3.960 -0.029 0.000 0.211 296 G C 0.808 175.449 174.900 -0.430 0.000 1.149 296 G CA 0.759 45.644 45.100 -0.357 0.000 0.785 296 G HN 0.734 nan 8.290 nan 0.000 0.536 297 A N 0.501 123.001 122.820 -0.534 0.000 2.346 297 A HA 0.586 4.889 4.320 -0.029 0.000 0.252 297 A C 0.844 178.406 177.584 -0.036 0.000 1.089 297 A CA 0.407 52.314 52.037 -0.217 0.000 0.797 297 A CB 0.341 19.229 19.000 -0.187 0.000 1.047 297 A HN 0.781 nan 8.150 nan 0.000 0.494 298 S N -0.800 114.919 115.700 0.031 0.000 2.593 298 S HA 0.335 4.787 4.470 -0.029 0.000 0.297 298 S C 0.822 175.437 174.600 0.024 0.000 1.112 298 S CA 0.145 58.369 58.200 0.040 0.000 1.043 298 S CB 1.421 64.660 63.200 0.065 0.000 1.054 298 S HN 0.886 nan 8.310 nan 0.000 0.516 299 E N 0.782 120.995 120.200 0.022 0.000 2.114 299 E HA -0.322 4.011 4.350 -0.029 0.000 0.199 299 E C 1.674 178.284 176.600 0.016 0.000 1.008 299 E CA 1.591 58.001 56.400 0.017 0.000 0.810 299 E CB -0.163 29.548 29.700 0.018 0.000 0.739 299 E HN 0.781 nan 8.360 nan 0.000 0.456 300 Q N 0.403 120.216 119.800 0.022 0.000 1.946 300 Q HA -0.191 4.132 4.340 -0.029 0.000 0.199 300 Q C 2.611 178.623 176.000 0.021 0.000 0.979 300 Q CA 1.829 57.644 55.803 0.020 0.000 0.834 300 Q CB -0.277 28.476 28.738 0.024 0.000 0.899 300 Q HN 0.541 nan 8.270 nan 0.000 0.431 301 M N 0.516 120.136 119.600 0.033 0.000 2.108 301 M HA -0.256 4.206 4.480 -0.029 0.000 0.257 301 M C 2.150 178.466 176.300 0.026 0.000 1.071 301 M CA 2.484 57.808 55.300 0.040 0.000 1.093 301 M CB -0.690 31.953 32.600 0.073 0.000 1.345 301 M HN 0.111 nan 8.290 nan 0.000 0.403 302 R N 1.403 121.913 120.500 0.016 0.000 2.105 302 R HA -0.204 4.119 4.340 -0.029 0.000 0.239 302 R C 1.921 178.225 176.300 0.006 0.000 1.135 302 R CA 2.116 58.218 56.100 0.003 0.000 0.967 302 R CB -1.219 29.078 30.300 -0.006 0.000 0.861 302 R HN 0.787 nan 8.270 nan 0.000 0.442 303 N N 0.282 118.985 118.700 0.004 0.000 2.463 303 N HA -0.127 4.595 4.740 -0.029 0.000 0.181 303 N C 0.053 175.553 175.510 -0.017 0.000 1.078 303 N CA 1.185 54.232 53.050 -0.005 0.000 0.902 303 N CB 0.019 38.504 38.487 -0.004 0.000 0.970 303 N HN 0.282 nan 8.380 nan 0.000 0.451 304 D N -0.215 120.180 120.400 -0.008 0.000 2.339 304 D HA 0.199 4.822 4.640 -0.029 0.000 0.217 304 D C 0.724 177.013 176.300 -0.018 0.000 1.050 304 D CA 0.344 54.333 54.000 -0.018 0.000 0.856 304 D CB 0.313 41.112 40.800 -0.001 0.000 0.922 304 D HN 0.343 nan 8.370 nan 0.000 0.518 305 L N -1.027 120.194 121.223 -0.003 0.000 3.386 305 L HA 0.312 4.634 4.340 -0.029 0.000 0.307 305 L C -0.234 176.650 176.870 0.023 0.000 1.235 305 L CA -0.306 54.542 54.840 0.013 0.000 1.056 305 L CB 0.287 42.369 42.059 0.038 0.000 1.453 305 L HN -0.165 nan 8.230 nan 0.000 0.615 306 L N 1.787 123.016 121.223 0.009 0.000 3.571 306 L HA -0.186 4.137 4.340 -0.029 0.000 0.630 306 L C -0.911 176.001 176.870 0.070 0.000 1.265 306 L CA 0.297 55.148 54.840 0.019 0.000 0.998 306 L CB -1.893 40.168 42.059 0.003 0.000 1.574 306 L HN 0.281 nan 8.230 nan 0.000 0.867 307 L N -1.349 119.921 121.223 0.079 0.000 2.325 307 L HA 0.763 5.086 4.340 -0.029 0.000 0.281 307 L C 0.450 177.399 176.870 0.132 0.000 1.004 307 L CA -0.790 54.136 54.840 0.144 0.000 0.823 307 L CB 1.558 43.635 42.059 0.031 0.000 1.236 307 L HN 0.146 nan 8.230 nan 0.000 0.415 308 E N 1.938 122.319 120.200 0.301 0.000 3.751 308 E HA 0.580 4.912 4.350 -0.029 0.000 0.281 308 E C 0.551 177.224 176.600 0.121 0.000 1.086 308 E CA -0.719 55.812 56.400 0.218 0.000 1.579 308 E CB 0.239 30.079 29.700 0.232 0.000 1.666 308 E HN 0.736 nan 8.360 nan 0.000 0.655 309 G N -0.368 108.518 108.800 0.143 0.000 2.653 309 G HA2 0.038 3.980 3.960 -0.029 0.000 0.265 309 G HA3 0.038 3.980 3.960 -0.029 0.000 0.265 309 G C -0.336 174.546 174.900 -0.031 0.000 1.237 309 G CA -0.253 44.893 45.100 0.076 0.000 0.946 309 G HN 0.323 nan 8.290 nan 0.000 0.522 310 F N -1.149 118.802 119.950 0.002 0.000 2.335 310 F HA 0.117 4.626 4.527 -0.030 0.000 0.296 310 F C 2.417 178.257 175.800 0.067 0.000 1.091 310 F CA 0.831 58.829 58.000 -0.003 0.000 1.399 310 F CB 0.310 39.358 39.000 0.080 0.000 1.067 310 F HN 0.387 nan 8.300 nan 0.000 0.520 311 N N -0.522 118.339 118.700 0.268 0.000 2.235 311 N HA 0.043 4.766 4.740 -0.029 0.000 0.209 311 N C 1.019 176.628 175.510 0.165 0.000 1.122 311 N CA -0.099 53.072 53.050 0.201 0.000 0.845 311 N CB 0.000 38.580 38.487 0.154 0.000 1.004 311 N HN 0.321 nan 8.380 nan 0.000 0.499 312 N N -0.413 118.417 118.700 0.216 0.000 2.402 312 N HA -0.024 4.699 4.740 -0.029 0.000 0.174 312 N C -0.569 175.045 175.510 0.173 0.000 1.027 312 N CA 0.531 53.695 53.050 0.189 0.000 0.891 312 N CB 0.325 38.947 38.487 0.225 0.000 1.016 312 N HN 0.106 nan 8.380 nan 0.000 0.439 313 Y N 1.031 121.301 120.300 -0.049 0.000 2.316 313 Y HA 0.140 4.673 4.550 -0.028 0.000 0.331 313 Y C 1.471 177.342 175.900 -0.048 0.000 1.083 313 Y CA -0.611 57.445 58.100 -0.073 0.000 1.206 313 Y CB 0.913 39.321 38.460 -0.087 0.000 1.195 313 Y HN -0.084 nan 8.280 nan 0.000 0.497 314 T N 1.658 116.219 114.554 0.011 0.000 3.148 314 T HA -0.026 4.307 4.350 -0.029 0.000 0.253 314 T C 1.245 175.981 174.700 0.060 0.000 1.134 314 T CA 0.419 62.511 62.100 -0.014 0.000 1.051 314 T CB -0.209 68.583 68.868 -0.127 0.000 0.959 314 T HN 0.391 nan 8.240 nan 0.000 0.525 315 F N 1.461 121.402 119.950 -0.014 0.000 2.710 315 F HA 0.387 4.898 4.527 -0.026 0.000 0.298 315 F C 0.824 176.565 175.800 -0.099 0.000 1.137 315 F CA -0.873 57.078 58.000 -0.082 0.000 1.444 315 F CB -0.089 38.826 39.000 -0.142 0.000 1.111 315 F HN 0.134 nan 8.300 nan 0.000 0.580 316 L N 0.541 121.850 121.223 0.144 0.000 2.360 316 L HA 0.278 4.601 4.340 -0.029 0.000 0.265 316 L C 0.438 177.393 176.870 0.143 0.000 1.066 316 L CA -0.324 54.566 54.840 0.085 0.000 0.929 316 L CB 0.172 42.246 42.059 0.025 0.000 1.306 316 L HN -0.178 nan 8.230 nan 0.000 0.434 317 S N 1.782 117.565 115.700 0.140 0.000 2.593 317 S HA 0.131 4.584 4.470 -0.029 0.000 0.269 317 S C 0.972 175.657 174.600 0.142 0.000 1.334 317 S CA -0.396 57.881 58.200 0.128 0.000 1.015 317 S CB 0.515 63.782 63.200 0.112 0.000 0.912 317 S HN 0.736 nan 8.310 nan 0.000 0.541 318 N N 0.268 119.039 118.700 0.118 0.000 2.741 318 N HA -0.219 4.504 4.740 -0.029 0.000 0.251 318 N C 0.862 176.459 175.510 0.145 0.000 1.112 318 N CA 1.172 54.290 53.050 0.113 0.000 0.750 318 N CB -1.663 36.886 38.487 0.103 0.000 1.119 318 N HN 1.046 nan 8.380 nan 0.000 0.561 319 G N 0.436 109.336 108.800 0.166 0.000 2.793 319 G HA2 -0.390 3.553 3.960 -0.029 0.000 0.334 319 G HA3 -0.390 3.553 3.960 -0.029 0.000 0.334 319 G C -0.329 174.771 174.900 0.334 0.000 1.186 319 G CA 1.236 46.466 45.100 0.217 0.000 0.960 319 G HN 0.853 nan 8.290 nan 0.000 0.562 320 H N 0.189 119.375 119.070 0.193 0.000 2.609 320 H HA 0.646 5.186 4.556 -0.027 0.000 0.344 320 H C -1.191 174.167 175.328 0.050 0.000 1.040 320 H CA -0.195 55.968 56.048 0.191 0.000 1.216 320 H CB 1.592 31.308 29.762 -0.076 0.000 1.529 320 H HN 0.427 nan 8.280 nan 0.000 0.519 321 V N 7.968 127.622 119.914 -0.433 0.000 2.435 321 V HA 0.330 4.433 4.120 -0.029 0.000 0.290 321 V C -2.136 173.596 176.094 -0.603 0.000 1.030 321 V CA -1.546 60.539 62.300 -0.359 0.000 0.881 321 V CB 1.743 33.443 31.823 -0.206 0.000 0.983 321 V HN 0.704 nan 8.190 nan 0.000 0.445 322 P HA 0.469 nan 4.420 nan 0.000 0.296 322 P C -0.783 176.417 177.300 -0.166 0.000 1.306 322 P CA -0.482 62.515 63.100 -0.172 0.000 0.818 322 P CB 1.637 33.336 31.700 -0.003 0.000 0.969 323 I N 5.092 125.552 120.570 -0.183 0.000 2.321 323 I HA 0.356 4.509 4.170 -0.029 0.000 0.291 323 I C -2.241 173.822 176.117 -0.090 0.000 0.998 323 I CA -3.150 58.062 61.300 -0.146 0.000 1.227 323 I CB 1.478 39.358 38.000 -0.201 0.000 1.368 323 I HN 0.177 nan 8.210 nan 0.000 0.466 324 P HA -0.018 nan 4.420 nan 0.000 0.265 324 P C 0.200 177.482 177.300 -0.029 0.000 1.187 324 P CA 0.504 63.581 63.100 -0.040 0.000 0.766 324 P CB 0.686 32.367 31.700 -0.033 0.000 0.820 325 A N 1.013 123.820 122.820 -0.023 0.000 2.798 325 A HA -0.252 4.051 4.320 -0.029 0.000 0.282 325 A C 0.354 177.925 177.584 -0.021 0.000 1.464 325 A CA 1.473 53.502 52.037 -0.014 0.000 0.844 325 A CB -2.544 16.457 19.000 0.001 0.000 1.006 325 A HN 0.707 nan 8.150 nan 0.000 0.577 326 Q N -1.296 118.478 119.800 -0.043 0.000 2.289 326 Q HA 0.586 4.909 4.340 -0.029 0.000 0.270 326 Q C -0.836 175.110 176.000 -0.090 0.000 1.038 326 Q CA -0.464 55.300 55.803 -0.066 0.000 0.812 326 Q CB 1.372 30.065 28.738 -0.076 0.000 1.300 326 Q HN 0.570 nan 8.270 nan 0.000 0.427 327 Q N 3.781 123.518 119.800 -0.105 0.000 2.523 327 Q HA 0.176 4.499 4.340 -0.029 0.000 0.251 327 Q C -0.408 175.487 176.000 -0.175 0.000 1.033 327 Q CA -0.239 55.503 55.803 -0.102 0.000 0.746 327 Q CB 0.826 29.530 28.738 -0.058 0.000 1.189 327 Q HN 0.688 nan 8.270 nan 0.000 0.508 328 D N 2.815 123.073 120.400 -0.237 0.000 2.322 328 D HA -0.209 4.414 4.640 -0.029 0.000 0.210 328 D C 0.086 176.279 176.300 -0.178 0.000 0.983 328 D CA 1.353 55.097 54.000 -0.426 0.000 0.902 328 D CB 0.375 41.107 40.800 -0.112 0.000 0.905 328 D HN 0.648 nan 8.370 nan 0.000 0.483 329 D N 1.093 121.461 120.400 -0.053 0.000 2.097 329 D HA -0.159 4.463 4.640 -0.029 0.000 0.195 329 D C 2.180 178.514 176.300 0.056 0.000 0.989 329 D CA 1.185 55.201 54.000 0.027 0.000 0.827 329 D CB -0.281 40.531 40.800 0.020 0.000 0.966 329 D HN 0.558 nan 8.370 nan 0.000 0.456 330 E N -0.095 120.104 120.200 -0.002 0.000 2.250 330 E HA -0.038 4.295 4.350 -0.029 0.000 0.192 330 E C 1.741 178.329 176.600 -0.019 0.000 0.986 330 E CA 0.246 56.652 56.400 0.010 0.000 0.849 330 E CB -0.153 29.542 29.700 -0.008 0.000 0.797 330 E HN 0.061 nan 8.360 nan 0.000 0.482 331 M N 0.759 120.276 119.600 -0.138 0.000 2.149 331 M HA -0.092 4.371 4.480 -0.029 0.000 0.261 331 M C 2.012 178.267 176.300 -0.075 0.000 1.064 331 M CA 1.179 56.316 55.300 -0.270 0.000 1.102 331 M CB -0.979 31.106 32.600 -0.858 0.000 1.369 331 M HN 0.174 nan 8.290 nan 0.000 0.408 332 F N 1.160 121.025 119.950 -0.142 0.000 2.069 332 F HA -0.281 4.228 4.527 -0.030 0.000 0.298 332 F C 2.533 178.391 175.800 0.097 0.000 1.113 332 F CA 2.060 60.131 58.000 0.118 0.000 1.214 332 F CB -0.708 38.367 39.000 0.125 0.000 0.978 332 F HN 0.151 nan 8.300 nan 0.000 0.474 333 Q N 0.883 120.722 119.800 0.065 0.000 2.112 333 Q HA -0.263 4.060 4.340 -0.029 0.000 0.206 333 Q C 2.284 178.239 176.000 -0.075 0.000 0.987 333 Q CA 2.275 58.054 55.803 -0.039 0.000 0.858 333 Q CB -0.645 28.118 28.738 0.041 0.000 0.905 333 Q HN 0.696 nan 8.270 nan 0.000 0.420 334 E N -1.196 118.987 120.200 -0.028 0.000 2.031 334 E HA -0.188 4.144 4.350 -0.029 0.000 0.193 334 E C 1.662 178.237 176.600 -0.041 0.000 0.994 334 E CA 2.026 58.413 56.400 -0.021 0.000 0.800 334 E CB -0.156 29.548 29.700 0.006 0.000 0.752 334 E HN 0.579 nan 8.360 nan 0.000 0.447 335 T N 0.083 114.625 114.554 -0.021 0.000 2.867 335 T HA -0.092 4.241 4.350 -0.029 0.000 0.268 335 T C 2.076 176.684 174.700 -0.154 0.000 1.057 335 T CA 0.674 62.744 62.100 -0.050 0.000 1.136 335 T CB -0.185 68.718 68.868 0.058 0.000 0.874 335 T HN 0.082 nan 8.240 nan 0.000 0.466 336 L N 1.273 122.351 121.223 -0.241 0.000 2.056 336 L HA -0.036 4.287 4.340 -0.029 0.000 0.207 336 L C 2.836 179.615 176.870 -0.150 0.000 1.078 336 L CA 1.881 56.563 54.840 -0.263 0.000 0.749 336 L CB -0.910 40.920 42.059 -0.381 0.000 0.901 336 L HN 0.482 nan 8.230 nan 0.000 0.433 337 E N -0.047 120.082 120.200 -0.118 0.000 2.110 337 E HA -0.200 4.133 4.350 -0.029 0.000 0.193 337 E C 2.202 178.748 176.600 -0.090 0.000 0.988 337 E CA 1.166 57.519 56.400 -0.078 0.000 0.804 337 E CB -0.048 29.621 29.700 -0.052 0.000 0.745 337 E HN 0.475 nan 8.360 nan 0.000 0.458 338 A N 1.852 124.604 122.820 -0.114 0.000 1.877 338 A HA -0.204 4.099 4.320 -0.029 0.000 0.216 338 A C 2.276 179.727 177.584 -0.222 0.000 1.186 338 A CA 1.518 53.469 52.037 -0.143 0.000 0.620 338 A CB -0.522 18.392 19.000 -0.144 0.000 0.822 338 A HN 0.122 nan 8.150 nan 0.000 0.443 339 M N 0.076 119.507 119.600 -0.282 0.000 2.082 339 M HA -0.178 4.284 4.480 -0.029 0.000 0.258 339 M C 2.469 178.619 176.300 -0.250 0.000 1.069 339 M CA 2.299 57.313 55.300 -0.476 0.000 1.102 339 M CB -1.486 30.951 32.600 -0.272 0.000 1.336 339 M HN 0.723 nan 8.290 nan 0.000 0.404 340 T N 0.395 114.893 114.554 -0.094 0.000 2.652 340 T HA -0.142 4.191 4.350 -0.029 0.000 0.267 340 T C 1.788 176.476 174.700 -0.020 0.000 1.039 340 T CA 1.467 63.559 62.100 -0.013 0.000 1.153 340 T CB -0.810 68.052 68.868 -0.011 0.000 0.863 340 T HN 0.209 nan 8.240 nan 0.000 0.428 341 I N 1.338 121.877 120.570 -0.052 0.000 2.185 341 I HA -0.181 3.972 4.170 -0.029 0.000 0.246 341 I C 2.577 178.675 176.117 -0.033 0.000 1.088 341 I CA 1.477 62.753 61.300 -0.040 0.000 1.347 341 I CB -1.517 36.446 38.000 -0.061 0.000 1.041 341 I HN 0.326 nan 8.210 nan 0.000 0.415 342 M N 0.164 119.722 119.600 -0.070 0.000 2.816 342 M HA -0.016 4.447 4.480 -0.029 0.000 0.271 342 M C 1.710 178.054 176.300 0.073 0.000 1.193 342 M CA 2.230 57.510 55.300 -0.032 0.000 1.060 342 M CB -1.162 31.346 32.600 -0.153 0.000 1.076 342 M HN 0.342 nan 8.290 nan 0.000 0.539 343 G N -1.668 107.261 108.800 0.215 0.000 3.934 343 G HA2 0.177 4.119 3.960 -0.029 0.000 0.212 343 G HA3 0.177 4.119 3.960 -0.029 0.000 0.212 343 G C -0.585 174.533 174.900 0.365 0.000 1.126 343 G CA -0.374 44.870 45.100 0.241 0.000 0.877 343 G HN 0.213 nan 8.290 nan 0.000 0.556 344 F N 4.080 124.067 119.950 0.063 0.000 2.552 344 F HA 0.258 4.767 4.527 -0.030 0.000 0.342 344 F C 1.449 177.282 175.800 0.055 0.000 1.257 344 F CA -0.652 57.405 58.000 0.095 0.000 1.058 344 F CB -1.115 37.955 39.000 0.116 0.000 1.288 344 F HN -0.156 nan 8.300 nan 0.000 0.627 345 T N 2.642 117.305 114.554 0.182 0.000 2.709 345 T HA -0.094 4.239 4.350 -0.029 0.000 0.345 345 T C 1.657 176.407 174.700 0.084 0.000 1.086 345 T CA -0.178 61.984 62.100 0.103 0.000 1.084 345 T CB 0.677 69.581 68.868 0.060 0.000 1.000 345 T HN 0.604 nan 8.240 nan 0.000 0.549 346 E N 2.066 122.298 120.200 0.053 0.000 2.049 346 E HA -0.302 4.031 4.350 -0.029 0.000 0.198 346 E C 1.764 178.373 176.600 0.015 0.000 1.007 346 E CA 2.087 58.509 56.400 0.037 0.000 0.809 346 E CB -0.581 29.135 29.700 0.027 0.000 0.749 346 E HN 0.932 nan 8.360 nan 0.000 0.450 347 E N 1.531 121.728 120.200 -0.004 0.000 2.047 347 E HA -0.122 4.211 4.350 -0.029 0.000 0.191 347 E C 2.122 178.655 176.600 -0.111 0.000 0.987 347 E CA 0.996 57.368 56.400 -0.047 0.000 0.799 347 E CB -0.421 29.256 29.700 -0.038 0.000 0.752 347 E HN 0.286 nan 8.360 nan 0.000 0.449 348 E N 0.669 120.823 120.200 -0.077 0.000 2.284 348 E HA -0.273 4.059 4.350 -0.029 0.000 0.200 348 E C 2.081 178.573 176.600 -0.181 0.000 1.008 348 E CA 1.530 57.855 56.400 -0.124 0.000 0.829 348 E CB -0.078 29.625 29.700 0.005 0.000 0.744 348 E HN 0.495 nan 8.360 nan 0.000 0.491 349 Q N -0.763 119.008 119.800 -0.050 0.000 2.178 349 Q HA -0.049 4.273 4.340 -0.029 0.000 0.195 349 Q C 2.343 178.301 176.000 -0.070 0.000 0.960 349 Q CA 1.488 57.306 55.803 0.025 0.000 0.843 349 Q CB 0.052 28.854 28.738 0.106 0.000 0.927 349 Q HN 0.273 nan 8.270 nan 0.000 0.487 350 T N 0.159 114.673 114.554 -0.068 0.000 2.737 350 T HA -0.154 4.179 4.350 -0.029 0.000 0.269 350 T C 2.083 176.685 174.700 -0.163 0.000 1.040 350 T CA 1.520 63.586 62.100 -0.057 0.000 1.142 350 T CB -0.366 68.481 68.868 -0.036 0.000 0.861 350 T HN 0.041 nan 8.240 nan 0.000 0.456 351 S N 1.728 117.211 115.700 -0.362 0.000 2.383 351 S HA -0.005 4.447 4.470 -0.029 0.000 0.229 351 S C 2.062 176.222 174.600 -0.733 0.000 1.030 351 S CA 1.328 59.142 58.200 -0.643 0.000 1.002 351 S CB -0.523 61.997 63.200 -1.135 0.000 0.829 351 S HN 0.627 nan 8.310 nan 0.000 0.467 352 I N 0.895 121.050 120.570 -0.692 0.000 2.353 352 I HA -0.091 4.062 4.170 -0.029 0.000 0.248 352 I C 2.068 178.157 176.117 -0.046 0.000 1.119 352 I CA 0.863 61.990 61.300 -0.288 0.000 1.417 352 I CB -0.686 37.189 38.000 -0.209 0.000 1.078 352 I HN 0.194 nan 8.210 nan 0.000 0.421 353 L N 1.651 122.871 121.223 -0.005 0.000 1.989 353 L HA -0.226 4.097 4.340 -0.029 0.000 0.211 353 L C 3.073 179.997 176.870 0.090 0.000 1.071 353 L CA 2.057 56.961 54.840 0.108 0.000 0.749 353 L CB -0.751 41.398 42.059 0.149 0.000 0.890 353 L HN 0.374 nan 8.230 nan 0.000 0.431 354 R N -0.073 120.454 120.500 0.045 0.000 2.117 354 R HA -0.146 4.176 4.340 -0.029 0.000 0.243 354 R C 1.977 178.329 176.300 0.088 0.000 1.143 354 R CA 1.725 57.859 56.100 0.058 0.000 0.968 354 R CB -1.262 29.057 30.300 0.032 0.000 0.863 354 R HN 0.125 nan 8.270 nan 0.000 0.444 355 V N 1.456 121.426 119.914 0.094 0.000 2.332 355 V HA -0.246 3.857 4.120 -0.029 0.000 0.248 355 V C 2.558 178.734 176.094 0.136 0.000 1.055 355 V CA 1.846 64.217 62.300 0.118 0.000 1.038 355 V CB -0.307 31.590 31.823 0.123 0.000 0.651 355 V HN 0.246 nan 8.190 nan 0.000 0.450 356 V N 0.998 121.001 119.914 0.148 0.000 2.295 356 V HA -0.253 3.850 4.120 -0.029 0.000 0.246 356 V C 2.689 178.923 176.094 0.234 0.000 1.049 356 V CA 2.425 64.864 62.300 0.232 0.000 1.024 356 V CB -0.874 31.088 31.823 0.232 0.000 0.648 356 V HN 0.786 nan 8.190 nan 0.000 0.447 357 S N 0.428 116.234 115.700 0.176 0.000 2.402 357 S HA -0.203 4.250 4.470 -0.029 0.000 0.229 357 S C 2.161 176.868 174.600 0.178 0.000 1.021 357 S CA 1.591 59.896 58.200 0.175 0.000 0.974 357 S CB -0.658 62.619 63.200 0.127 0.000 0.800 357 S HN 0.692 nan 8.310 nan 0.000 0.484 358 S N 1.440 117.226 115.700 0.143 0.000 2.368 358 S HA -0.034 4.419 4.470 -0.029 0.000 0.224 358 S C 1.862 176.552 174.600 0.150 0.000 1.029 358 S CA 1.057 59.331 58.200 0.123 0.000 0.988 358 S CB -0.858 62.405 63.200 0.105 0.000 0.838 358 S HN 0.358 nan 8.310 nan 0.000 0.462 359 V N 1.852 121.869 119.914 0.172 0.000 2.427 359 V HA -0.069 4.034 4.120 -0.029 0.000 0.248 359 V C 2.548 178.814 176.094 0.288 0.000 1.051 359 V CA 1.763 64.176 62.300 0.188 0.000 1.048 359 V CB -0.748 31.159 31.823 0.140 0.000 0.666 359 V HN 0.482 nan 8.190 nan 0.000 0.456 360 L N -0.796 120.578 121.223 0.252 0.000 2.093 360 L HA -0.199 4.124 4.340 -0.029 0.000 0.208 360 L C 2.672 179.747 176.870 0.343 0.000 1.085 360 L CA 1.479 56.577 54.840 0.430 0.000 0.755 360 L CB -0.585 41.736 42.059 0.437 0.000 0.904 360 L HN 0.343 nan 8.230 nan 0.000 0.435 361 Q N 0.055 119.930 119.800 0.125 0.000 2.020 361 Q HA -0.187 4.136 4.340 -0.029 0.000 0.202 361 Q C 2.397 178.324 176.000 -0.123 0.000 0.982 361 Q CA 1.392 57.134 55.803 -0.102 0.000 0.838 361 Q CB -0.267 28.448 28.738 -0.038 0.000 0.899 361 Q HN 0.517 nan 8.270 nan 0.000 0.423 362 L N 0.046 121.285 121.223 0.028 0.000 2.369 362 L HA -0.214 4.109 4.340 -0.029 0.000 0.220 362 L C 2.166 178.860 176.870 -0.293 0.000 1.119 362 L CA 1.019 55.868 54.840 0.014 0.000 0.780 362 L CB -0.745 41.436 42.059 0.203 0.000 0.906 362 L HN 0.338 nan 8.230 nan 0.000 0.442 363 G N -0.216 108.152 108.800 -0.720 0.000 2.484 363 G HA2 -0.181 3.761 3.960 -0.029 0.000 0.218 363 G HA3 -0.181 3.761 3.960 -0.029 0.000 0.218 363 G C 1.285 175.714 174.900 -0.785 0.000 1.130 363 G CA 0.319 44.456 45.100 -1.605 0.000 0.784 363 G HN 0.436 nan 8.290 nan 0.000 0.543 364 N N 0.409 118.801 118.700 -0.514 0.000 2.422 364 N HA 0.056 4.778 4.740 -0.029 0.000 0.181 364 N C 0.720 176.027 175.510 -0.339 0.000 1.080 364 N CA -0.025 52.798 53.050 -0.379 0.000 0.893 364 N CB 0.453 38.738 38.487 -0.336 0.000 0.973 364 N HN 0.259 nan 8.380 nan 0.000 0.456 365 I N 2.321 122.675 120.570 -0.360 0.000 2.460 365 I HA 0.013 4.166 4.170 -0.029 0.000 0.297 365 I C -0.432 175.278 176.117 -0.679 0.000 1.139 365 I CA 0.062 61.117 61.300 -0.408 0.000 1.340 365 I CB 0.019 37.846 38.000 -0.288 0.000 1.444 365 I HN -0.277 nan 8.210 nan 0.000 0.557 366 V N 7.231 126.783 119.914 -0.603 0.000 2.581 366 V HA 0.441 4.544 4.120 -0.029 0.000 0.303 366 V C -0.208 175.547 176.094 -0.566 0.000 1.041 366 V CA -0.628 61.308 62.300 -0.606 0.000 0.907 366 V CB 1.852 33.497 31.823 -0.297 0.000 0.994 366 V HN 0.263 nan 8.190 nan 0.000 0.442 367 F N 1.996 121.920 119.950 -0.044 0.000 2.458 367 F HA 0.548 5.057 4.527 -0.029 0.000 0.330 367 F C 0.637 176.419 175.800 -0.030 0.000 1.082 367 F CA -1.212 56.764 58.000 -0.040 0.000 0.995 367 F CB 1.310 40.290 39.000 -0.034 0.000 1.170 367 F HN 0.236 nan 8.300 nan 0.000 0.478 368 K N 1.983 122.489 120.400 0.178 0.000 2.290 368 K HA 0.128 4.431 4.320 -0.029 0.000 0.250 368 K C -0.328 176.314 176.600 0.068 0.000 1.092 368 K CA -0.664 55.674 56.287 0.085 0.000 1.006 368 K CB 0.849 33.378 32.500 0.049 0.000 1.549 368 K HN 0.564 nan 8.250 nan 0.000 0.436 369 K N 3.064 123.505 120.400 0.068 0.000 2.320 369 K HA -0.098 4.205 4.320 -0.029 0.000 0.269 369 K C -0.338 176.272 176.600 0.017 0.000 1.182 369 K CA 0.419 56.729 56.287 0.037 0.000 1.190 369 K CB 0.091 32.614 32.500 0.037 0.000 0.850 369 K HN 0.338 nan 8.250 nan 0.000 0.467 370 E N 3.590 123.792 120.200 0.004 0.000 2.558 370 E HA -0.117 4.215 4.350 -0.029 0.000 0.255 370 E C 0.515 177.113 176.600 -0.003 0.000 0.968 370 E CA 0.244 56.642 56.400 -0.004 0.000 0.939 370 E CB 0.576 30.267 29.700 -0.015 0.000 0.921 370 E HN 0.585 nan 8.360 nan 0.000 0.477 371 R N 2.738 123.237 120.500 -0.002 0.000 2.090 371 R HA -0.098 4.224 4.340 -0.029 0.000 0.228 371 R C 1.753 178.050 176.300 -0.005 0.000 1.110 371 R CA 1.195 57.294 56.100 -0.002 0.000 0.973 371 R CB -0.060 30.240 30.300 -0.000 0.000 0.869 371 R HN 0.553 nan 8.270 nan 0.000 0.440 372 N N 0.103 118.798 118.700 -0.007 0.000 2.058 372 N HA -0.112 4.611 4.740 -0.029 0.000 0.191 372 N C 1.076 176.579 175.510 -0.013 0.000 1.037 372 N CA 1.954 54.998 53.050 -0.010 0.000 0.848 372 N CB -0.201 38.279 38.487 -0.011 0.000 1.021 372 N HN 0.220 nan 8.380 nan 0.000 0.422 373 T N -1.188 113.356 114.554 -0.017 0.000 3.010 373 T HA 0.155 4.488 4.350 -0.029 0.000 0.257 373 T C -0.293 174.393 174.700 -0.024 0.000 1.020 373 T CA -0.135 61.952 62.100 -0.021 0.000 0.938 373 T CB 0.588 69.439 68.868 -0.027 0.000 1.049 373 T HN 0.017 nan 8.240 nan 0.000 0.522 374 D N 0.717 121.105 120.400 -0.020 0.000 2.911 374 D HA -0.138 4.485 4.640 -0.029 0.000 0.199 374 D C 0.002 176.284 176.300 -0.031 0.000 1.041 374 D CA 0.967 54.955 54.000 -0.020 0.000 1.013 374 D CB -1.361 39.428 40.800 -0.019 0.000 1.093 374 D HN 0.504 nan 8.370 nan 0.000 0.431 375 Q N 0.326 120.101 119.800 -0.042 0.000 2.274 375 Q HA 0.651 4.974 4.340 -0.029 0.000 0.256 375 Q C 0.507 176.462 176.000 -0.076 0.000 0.927 375 Q CA -0.061 55.700 55.803 -0.069 0.000 0.939 375 Q CB 1.462 30.155 28.738 -0.074 0.000 1.201 375 Q HN 0.323 nan 8.270 nan 0.000 0.426 376 A N 2.482 125.231 122.820 -0.118 0.000 2.567 376 A HA 0.207 4.510 4.320 -0.029 0.000 0.236 376 A C 0.146 177.673 177.584 -0.096 0.000 1.088 376 A CA 0.438 52.406 52.037 -0.117 0.000 0.776 376 A CB 0.160 18.936 19.000 -0.373 0.000 1.033 376 A HN 0.764 nan 8.150 nan 0.000 0.513 377 S N -0.225 115.480 115.700 0.008 0.000 2.546 377 S HA 0.600 5.053 4.470 -0.029 0.000 0.274 377 S C -0.668 173.999 174.600 0.111 0.000 1.121 377 S CA -0.566 57.647 58.200 0.022 0.000 0.887 377 S CB 1.446 64.656 63.200 0.017 0.000 1.094 377 S HN 0.995 nan 8.310 nan 0.000 0.474 378 M N 3.561 123.199 119.600 0.064 0.000 2.986 378 M HA 0.459 4.922 4.480 -0.029 0.000 0.241 378 M C -2.184 174.130 176.300 0.023 0.000 1.191 378 M CA -2.181 53.164 55.300 0.075 0.000 1.143 378 M CB 0.511 33.137 32.600 0.043 0.000 1.242 378 M HN 0.511 nan 8.290 nan 0.000 0.543 379 P HA -0.102 nan 4.420 nan 0.000 0.208 379 P C -0.196 177.099 177.300 -0.008 0.000 1.195 379 P CA 1.192 64.293 63.100 0.001 0.000 0.927 379 P CB -0.046 31.654 31.700 -0.001 0.000 0.778 380 D N -0.394 119.997 120.400 -0.016 0.000 2.411 380 D HA 0.060 4.683 4.640 -0.029 0.000 0.225 380 D C 0.760 177.044 176.300 -0.027 0.000 1.156 380 D CA -0.146 53.840 54.000 -0.023 0.000 0.874 380 D CB -0.719 40.062 40.800 -0.032 0.000 1.034 380 D HN -0.053 nan 8.370 nan 0.000 0.502 381 N N 2.122 120.811 118.700 -0.019 0.000 2.550 381 N HA -0.103 4.620 4.740 -0.029 0.000 0.186 381 N C 1.134 176.634 175.510 -0.018 0.000 1.110 381 N CA 0.312 53.351 53.050 -0.018 0.000 0.912 381 N CB 0.340 38.819 38.487 -0.014 0.000 0.968 381 N HN 0.428 nan 8.380 nan 0.000 0.448 382 T N 1.609 116.150 114.554 -0.023 0.000 2.635 382 T HA -0.299 4.034 4.350 -0.029 0.000 0.265 382 T C 1.999 176.682 174.700 -0.029 0.000 1.058 382 T CA 1.896 63.982 62.100 -0.024 0.000 1.162 382 T CB -0.332 68.515 68.868 -0.036 0.000 0.859 382 T HN 0.414 nan 8.240 nan 0.000 0.449 383 A N 1.512 124.301 122.820 -0.052 0.000 1.842 383 A HA -0.001 4.301 4.320 -0.029 0.000 0.217 383 A C 2.708 180.282 177.584 -0.016 0.000 1.206 383 A CA 2.639 54.635 52.037 -0.068 0.000 0.630 383 A CB -1.502 17.431 19.000 -0.111 0.000 0.839 383 A HN 0.599 nan 8.150 nan 0.000 0.447 384 A N -0.813 122.009 122.820 0.005 0.000 1.917 384 A HA -0.290 4.013 4.320 -0.029 0.000 0.219 384 A C 2.102 179.752 177.584 0.109 0.000 1.182 384 A CA 2.076 54.158 52.037 0.075 0.000 0.633 384 A CB -0.840 18.163 19.000 0.005 0.000 0.819 384 A HN 0.722 nan 8.150 nan 0.000 0.448 385 Q N -0.635 119.203 119.800 0.062 0.000 2.112 385 Q HA -0.192 4.131 4.340 -0.029 0.000 0.206 385 Q C 2.011 178.070 176.000 0.099 0.000 0.987 385 Q CA 1.839 57.686 55.803 0.073 0.000 0.858 385 Q CB -0.229 28.537 28.738 0.046 0.000 0.905 385 Q HN 0.636 nan 8.270 nan 0.000 0.420 386 K N -0.122 120.319 120.400 0.069 0.000 2.366 386 K HA -0.006 4.297 4.320 -0.029 0.000 0.198 386 K C 1.635 178.283 176.600 0.080 0.000 1.044 386 K CA 0.326 56.650 56.287 0.062 0.000 0.973 386 K CB 0.374 32.878 32.500 0.007 0.000 0.767 386 K HN 0.018 nan 8.250 nan 0.000 0.475 387 V N -0.349 119.625 119.914 0.099 0.000 2.825 387 V HA -0.171 3.932 4.120 -0.029 0.000 0.246 387 V C 1.884 178.038 176.094 0.100 0.000 1.068 387 V CA 0.939 63.301 62.300 0.103 0.000 1.088 387 V CB 0.245 32.148 31.823 0.135 0.000 0.733 387 V HN 0.411 nan 8.190 nan 0.000 0.468 388 C N -0.682 118.699 119.300 0.135 0.000 2.446 388 C HA -0.131 4.312 4.460 -0.029 0.000 0.277 388 C C 2.604 177.642 174.990 0.080 0.000 1.275 388 C CA 0.820 59.893 59.018 0.092 0.000 1.727 388 C CB -1.207 26.616 27.740 0.139 0.000 2.010 388 C HN 0.648 nan 8.230 nan 0.000 0.486 389 H N 0.389 119.480 119.070 0.034 0.000 2.560 389 H HA 0.061 4.600 4.556 -0.029 0.000 0.283 389 H C 1.694 177.036 175.328 0.023 0.000 1.028 389 H CA 0.990 57.053 56.048 0.025 0.000 1.221 389 H CB -0.028 29.749 29.762 0.025 0.000 1.363 389 H HN 0.487 nan 8.280 nan 0.000 0.594 390 L N -1.418 119.909 121.223 0.173 0.000 2.609 390 L HA 0.065 4.387 4.340 -0.029 0.000 0.230 390 L C 1.960 178.881 176.870 0.086 0.000 1.087 390 L CA 0.135 55.046 54.840 0.118 0.000 0.874 390 L CB 0.127 42.241 42.059 0.092 0.000 1.114 390 L HN 0.143 nan 8.230 nan 0.000 0.488 391 M N -0.802 118.827 119.600 0.047 0.000 2.545 391 M HA 0.193 4.656 4.480 -0.029 0.000 0.264 391 M C 1.377 177.674 176.300 -0.005 0.000 1.155 391 M CA 1.071 56.369 55.300 -0.004 0.000 1.162 391 M CB 0.513 33.047 32.600 -0.110 0.000 1.330 391 M HN 0.246 nan 8.290 nan 0.000 0.479 392 G N 1.068 109.866 108.800 -0.003 0.000 2.157 392 G HA2 -0.206 3.737 3.960 -0.029 0.000 0.239 392 G HA3 -0.206 3.737 3.960 -0.029 0.000 0.239 392 G C 0.126 174.997 174.900 -0.049 0.000 0.982 392 G CA 0.306 45.395 45.100 -0.017 0.000 0.650 392 G HN 0.501 nan 8.290 nan 0.000 0.527 393 I N -1.377 119.153 120.570 -0.067 0.000 3.078 393 I HA 0.605 4.758 4.170 -0.029 0.000 0.318 393 I C 0.443 176.539 176.117 -0.035 0.000 1.016 393 I CA -1.854 59.403 61.300 -0.071 0.000 1.130 393 I CB 0.619 38.541 38.000 -0.131 0.000 1.397 393 I HN 0.068 nan 8.210 nan 0.000 0.570 394 N N 1.490 120.185 118.700 -0.009 0.000 2.514 394 N HA 0.131 4.854 4.740 -0.029 0.000 0.277 394 N C 0.922 176.474 175.510 0.071 0.000 1.126 394 N CA -0.209 52.847 53.050 0.011 0.000 0.978 394 N CB 1.644 40.134 38.487 0.005 0.000 1.106 394 N HN 0.703 nan 8.380 nan 0.000 0.461 395 V N 2.515 122.462 119.914 0.054 0.000 2.232 395 V HA -0.263 3.840 4.120 -0.029 0.000 0.241 395 V C 2.627 178.755 176.094 0.055 0.000 1.036 395 V CA 2.548 64.894 62.300 0.077 0.000 0.993 395 V CB -2.066 29.777 31.823 0.034 0.000 0.639 395 V HN 0.880 nan 8.190 nan 0.000 0.459 396 T N -1.423 113.140 114.554 0.015 0.000 2.653 396 T HA -0.402 3.931 4.350 -0.029 0.000 0.267 396 T C 1.745 176.441 174.700 -0.006 0.000 1.037 396 T CA 2.522 64.617 62.100 -0.009 0.000 1.159 396 T CB -1.046 67.816 68.868 -0.011 0.000 0.859 396 T HN 0.631 nan 8.240 nan 0.000 0.449 397 D N 0.065 120.479 120.400 0.024 0.000 2.087 397 D HA -0.072 4.551 4.640 -0.029 0.000 0.192 397 D C 1.774 178.124 176.300 0.082 0.000 0.993 397 D CA 1.552 55.574 54.000 0.036 0.000 0.828 397 D CB -0.426 40.396 40.800 0.037 0.000 0.968 397 D HN 0.478 nan 8.370 nan 0.000 0.448 398 F N 2.155 122.080 119.950 -0.042 0.000 2.171 398 F HA -0.170 4.340 4.527 -0.028 0.000 0.300 398 F C 2.270 178.056 175.800 -0.025 0.000 1.090 398 F CA 1.393 59.368 58.000 -0.042 0.000 1.293 398 F CB -0.899 38.078 39.000 -0.039 0.000 1.013 398 F HN -0.141 nan 8.300 nan 0.000 0.486 399 T N 1.184 115.548 114.554 -0.316 0.000 2.684 399 T HA -0.213 4.120 4.350 -0.029 0.000 0.267 399 T C 2.232 176.765 174.700 -0.277 0.000 1.036 399 T CA 1.633 63.486 62.100 -0.412 0.000 1.148 399 T CB -0.399 68.347 68.868 -0.203 0.000 0.863 399 T HN 0.244 nan 8.240 nan 0.000 0.436 400 R N 1.044 121.453 120.500 -0.151 0.000 2.090 400 R HA -0.042 4.281 4.340 -0.029 0.000 0.228 400 R C 2.529 178.772 176.300 -0.095 0.000 1.110 400 R CA 1.461 57.495 56.100 -0.110 0.000 0.973 400 R CB -0.411 29.849 30.300 -0.066 0.000 0.869 400 R HN 0.390 nan 8.270 nan 0.000 0.440 401 S N 1.173 116.841 115.700 -0.053 0.000 2.356 401 S HA -0.166 4.287 4.470 -0.029 0.000 0.223 401 S C 1.908 176.500 174.600 -0.014 0.000 1.032 401 S CA 1.241 59.439 58.200 -0.004 0.000 1.005 401 S CB -0.304 62.940 63.200 0.074 0.000 0.867 401 S HN 0.284 nan 8.310 nan 0.000 0.449 402 I N 0.877 121.419 120.570 -0.046 0.000 2.546 402 I HA 0.013 4.166 4.170 -0.029 0.000 0.255 402 I C 1.783 177.798 176.117 -0.170 0.000 1.163 402 I CA 0.793 62.065 61.300 -0.047 0.000 1.457 402 I CB -0.067 37.876 38.000 -0.095 0.000 1.092 402 I HN 0.214 nan 8.210 nan 0.000 0.434 403 L N -0.670 120.413 121.223 -0.232 0.000 2.051 403 L HA 0.011 4.334 4.340 -0.029 0.000 0.202 403 L C 1.033 177.792 176.870 -0.185 0.000 1.097 403 L CA 1.170 55.843 54.840 -0.278 0.000 0.762 403 L CB -0.587 41.318 42.059 -0.256 0.000 0.913 403 L HN 0.237 nan 8.230 nan 0.000 0.447 404 T N -0.765 113.709 114.554 -0.133 0.000 3.145 404 T HA 0.347 4.680 4.350 -0.029 0.000 0.348 404 T C -2.588 172.073 174.700 -0.065 0.000 1.299 404 T CA -2.204 59.840 62.100 -0.093 0.000 1.037 404 T CB 0.400 69.221 68.868 -0.079 0.000 1.122 404 T HN -0.114 nan 8.240 nan 0.000 0.600 405 P HA 0.144 nan 4.420 nan 0.000 0.261 405 P C 0.050 177.333 177.300 -0.028 0.000 1.203 405 P CA -0.173 62.908 63.100 -0.033 0.000 0.767 405 P CB 0.318 32.003 31.700 -0.025 0.000 0.785 406 R N 4.138 124.625 120.500 -0.022 0.000 4.464 406 R HA 0.139 4.462 4.340 -0.029 0.000 0.229 406 R C 0.337 176.628 176.300 -0.015 0.000 1.916 406 R CA -0.445 55.644 56.100 -0.020 0.000 1.601 406 R CB -1.450 28.838 30.300 -0.018 0.000 1.315 406 R HN 0.323 nan 8.270 nan 0.000 0.725 407 I N 0.808 121.369 120.570 -0.014 0.000 3.224 407 I HA -0.252 3.901 4.170 -0.029 0.000 0.306 407 I C 0.629 176.742 176.117 -0.008 0.000 1.231 407 I CA 1.373 62.667 61.300 -0.009 0.000 1.421 407 I CB 0.271 38.266 38.000 -0.010 0.000 1.315 407 I HN 0.231 nan 8.210 nan 0.000 0.581 408 K N 3.010 123.408 120.400 -0.004 0.000 2.756 408 K HA 0.311 4.614 4.320 -0.029 0.000 0.218 408 K C -0.281 176.319 176.600 0.000 0.000 1.057 408 K CA -0.270 56.015 56.287 -0.004 0.000 1.056 408 K CB 1.154 33.652 32.500 -0.004 0.000 1.235 408 K HN 0.400 nan 8.250 nan 0.000 0.547 409 V N 1.523 121.437 119.914 -0.000 0.000 3.590 409 V HA -0.035 4.068 4.120 -0.029 0.000 0.272 409 V C 1.586 177.682 176.094 0.004 0.000 1.233 409 V CA 1.328 63.630 62.300 0.003 0.000 1.182 409 V CB -0.932 30.892 31.823 0.000 0.000 0.901 409 V HN 1.092 nan 8.190 nan 0.000 0.485 410 G N 2.253 111.054 108.800 0.001 0.000 4.236 410 G HA2 -0.443 3.500 3.960 -0.029 0.000 0.222 410 G HA3 -0.443 3.500 3.960 -0.029 0.000 0.222 410 G C 1.252 176.151 174.900 -0.001 0.000 1.354 410 G CA 0.582 45.682 45.100 0.000 0.000 0.966 410 G HN 0.604 nan 8.290 nan 0.000 0.624 411 R N 2.330 122.830 120.500 -0.001 0.000 2.357 411 R HA 0.243 4.566 4.340 -0.029 0.000 0.202 411 R C 0.583 176.881 176.300 -0.004 0.000 1.047 411 R CA 1.810 57.908 56.100 -0.002 0.000 1.034 411 R CB -0.505 29.794 30.300 -0.002 0.000 0.875 411 R HN 0.692 nan 8.270 nan 0.000 0.473 412 D N -2.073 118.325 120.400 -0.005 0.000 2.992 412 D HA 0.169 4.792 4.640 -0.029 0.000 0.349 412 D C -0.802 175.494 176.300 -0.007 0.000 1.393 412 D CA -0.860 53.136 54.000 -0.006 0.000 0.887 412 D CB 0.945 41.741 40.800 -0.007 0.000 1.447 412 D HN -0.180 nan 8.370 nan 0.000 0.524 413 V N 0.225 120.134 119.914 -0.009 0.000 2.719 413 V HA 0.275 4.378 4.120 -0.029 0.000 0.330 413 V C -0.223 175.864 176.094 -0.012 0.000 1.224 413 V CA -0.715 61.579 62.300 -0.010 0.000 1.314 413 V CB 0.987 32.804 31.823 -0.010 0.000 1.416 413 V HN 0.545 nan 8.190 nan 0.000 0.651 414 V N 2.709 122.616 119.914 -0.012 0.000 2.416 414 V HA 0.016 4.119 4.120 -0.029 0.000 0.267 414 V C 0.763 176.847 176.094 -0.017 0.000 1.007 414 V CA 0.481 62.772 62.300 -0.015 0.000 1.102 414 V CB 0.511 32.325 31.823 -0.014 0.000 1.035 414 V HN 0.956 nan 8.190 nan 0.000 0.473 415 Q N 5.552 125.340 119.800 -0.020 0.000 2.279 415 Q HA 0.513 4.836 4.340 -0.029 0.000 0.256 415 Q C -0.386 175.598 176.000 -0.028 0.000 0.937 415 Q CA -0.146 55.643 55.803 -0.023 0.000 0.933 415 Q CB 1.195 29.919 28.738 -0.024 0.000 1.189 415 Q HN 0.694 nan 8.270 nan 0.000 0.417 416 K N 2.219 122.600 120.400 -0.031 0.000 2.261 416 K HA 0.893 5.196 4.320 -0.029 0.000 0.242 416 K C -1.793 174.778 176.600 -0.048 0.000 1.083 416 K CA -0.739 55.526 56.287 -0.037 0.000 0.880 416 K CB 2.015 34.494 32.500 -0.034 0.000 1.353 416 K HN 0.738 nan 8.250 nan 0.000 0.486 417 A N 1.199 123.986 122.820 -0.054 0.000 2.486 417 A HA 0.493 4.795 4.320 -0.029 0.000 0.300 417 A C -1.818 175.722 177.584 -0.073 0.000 1.048 417 A CA -0.778 51.216 52.037 -0.073 0.000 0.696 417 A CB 1.650 20.605 19.000 -0.075 0.000 1.278 417 A HN 0.607 nan 8.150 nan 0.000 0.405 418 Q N 0.576 120.321 119.800 -0.092 0.000 2.248 418 Q HA 0.642 4.965 4.340 -0.029 0.000 0.263 418 Q C 0.447 176.389 176.000 -0.097 0.000 1.007 418 Q CA -0.781 54.973 55.803 -0.082 0.000 0.877 418 Q CB 1.051 29.746 28.738 -0.071 0.000 1.315 418 Q HN 0.746 nan 8.270 nan 0.000 0.454 419 T N -0.024 114.492 114.554 -0.064 0.000 2.718 419 T HA -0.097 4.236 4.350 -0.029 0.000 0.377 419 T C 1.133 175.797 174.700 -0.059 0.000 1.072 419 T CA -0.103 61.969 62.100 -0.047 0.000 1.065 419 T CB 0.146 69.005 68.868 -0.015 0.000 1.194 419 T HN 0.753 nan 8.240 nan 0.000 0.517 420 K N 0.841 121.244 120.400 0.005 0.000 2.137 420 K HA -0.057 4.246 4.320 -0.029 0.000 0.202 420 K C 1.699 178.415 176.600 0.194 0.000 1.052 420 K CA 1.030 57.371 56.287 0.090 0.000 0.961 420 K CB -0.267 32.331 32.500 0.164 0.000 0.741 420 K HN 0.621 nan 8.250 nan 0.000 0.452 421 E N 1.394 121.670 120.200 0.127 0.000 1.997 421 E HA -0.198 4.135 4.350 -0.029 0.000 0.201 421 E C 1.976 178.681 176.600 0.175 0.000 1.011 421 E CA 1.360 57.847 56.400 0.145 0.000 0.847 421 E CB -0.253 29.498 29.700 0.086 0.000 0.787 421 E HN 0.365 nan 8.360 nan 0.000 0.472 422 Q N 0.098 119.949 119.800 0.086 0.000 2.308 422 Q HA -0.131 4.192 4.340 -0.029 0.000 0.209 422 Q C 1.888 177.968 176.000 0.133 0.000 0.985 422 Q CA 1.292 57.137 55.803 0.071 0.000 0.881 422 Q CB -0.588 28.127 28.738 -0.038 0.000 0.917 422 Q HN 0.326 nan 8.270 nan 0.000 0.443 423 A N 0.935 123.803 122.820 0.080 0.000 1.897 423 A HA -0.147 4.156 4.320 -0.029 0.000 0.215 423 A C 1.800 179.609 177.584 0.374 0.000 1.181 423 A CA 1.385 53.407 52.037 -0.025 0.000 0.620 423 A CB -0.156 18.535 19.000 -0.516 0.000 0.821 423 A HN 0.169 nan 8.150 nan 0.000 0.443 424 D N -1.041 119.659 120.400 0.500 0.000 2.110 424 D HA -0.078 4.544 4.640 -0.029 0.000 0.202 424 D C 1.596 178.087 176.300 0.319 0.000 0.975 424 D CA 1.023 55.286 54.000 0.438 0.000 0.839 424 D CB -0.474 40.490 40.800 0.273 0.000 0.996 424 D HN 0.368 nan 8.370 nan 0.000 0.464 425 F N 1.555 121.595 119.950 0.149 0.000 2.287 425 F HA -0.193 4.317 4.527 -0.028 0.000 0.301 425 F C 1.864 177.737 175.800 0.121 0.000 1.069 425 F CA 1.233 59.303 58.000 0.116 0.000 1.372 425 F CB 0.017 39.068 39.000 0.085 0.000 1.056 425 F HN -0.078 nan 8.300 nan 0.000 0.523 426 A N -0.181 122.872 122.820 0.389 0.000 1.956 426 A HA 0.042 4.344 4.320 -0.029 0.000 0.212 426 A C 2.105 179.816 177.584 0.211 0.000 1.188 426 A CA 0.908 53.122 52.037 0.294 0.000 0.675 426 A CB -0.852 18.298 19.000 0.250 0.000 0.845 426 A HN 0.479 nan 8.150 nan 0.000 0.455 427 I N -0.488 120.230 120.570 0.247 0.000 2.761 427 I HA -0.104 4.049 4.170 -0.029 0.000 0.261 427 I C 2.160 178.391 176.117 0.190 0.000 1.198 427 I CA 1.467 62.917 61.300 0.250 0.000 1.482 427 I CB 0.006 38.184 38.000 0.297 0.000 1.100 427 I HN 0.493 nan 8.210 nan 0.000 0.445 428 E N 1.545 121.825 120.200 0.133 0.000 2.051 428 E HA -0.165 4.168 4.350 -0.029 0.000 0.189 428 E C 1.905 178.523 176.600 0.030 0.000 0.979 428 E CA 1.249 57.710 56.400 0.102 0.000 0.803 428 E CB -0.119 29.589 29.700 0.013 0.000 0.761 428 E HN 0.506 nan 8.360 nan 0.000 0.451 429 A N 0.981 123.764 122.820 -0.061 0.000 2.252 429 A HA 0.077 4.380 4.320 -0.029 0.000 0.207 429 A C 1.828 179.456 177.584 0.073 0.000 1.194 429 A CA 0.416 52.416 52.037 -0.061 0.000 0.809 429 A CB -0.339 18.563 19.000 -0.164 0.000 0.814 429 A HN 0.374 nan 8.150 nan 0.000 0.482 430 L N -2.103 119.196 121.223 0.127 0.000 2.356 430 L HA 0.455 4.778 4.340 -0.029 0.000 0.193 430 L C 2.343 179.345 176.870 0.221 0.000 1.087 430 L CA 1.598 56.555 54.840 0.195 0.000 0.817 430 L CB -0.695 41.462 42.059 0.164 0.000 1.035 430 L HN 0.105 nan 8.230 nan 0.000 0.482 431 A N 1.274 124.207 122.820 0.188 0.000 1.845 431 A HA -0.265 4.038 4.320 -0.029 0.000 0.215 431 A C 2.331 179.969 177.584 0.090 0.000 1.195 431 A CA 2.399 54.538 52.037 0.170 0.000 0.616 431 A CB -0.918 18.228 19.000 0.244 0.000 0.832 431 A HN 0.658 nan 8.150 nan 0.000 0.443 432 K N -0.181 120.237 120.400 0.029 0.000 2.218 432 K HA -0.023 4.280 4.320 -0.029 0.000 0.205 432 K C 1.458 178.095 176.600 0.062 0.000 1.046 432 K CA 1.875 58.153 56.287 -0.015 0.000 0.933 432 K CB -0.313 32.162 32.500 -0.041 0.000 0.728 432 K HN 0.328 nan 8.250 nan 0.000 0.454 433 A N 0.421 123.285 122.820 0.073 0.000 2.252 433 A HA 0.130 4.432 4.320 -0.029 0.000 0.213 433 A C 1.792 179.316 177.584 -0.100 0.000 1.188 433 A CA 0.071 52.115 52.037 0.012 0.000 0.863 433 A CB -0.110 18.917 19.000 0.045 0.000 0.893 433 A HN 0.304 nan 8.150 nan 0.000 0.495 434 K N -0.963 119.461 120.400 0.039 0.000 2.432 434 K HA -0.007 4.296 4.320 -0.029 0.000 0.196 434 K C 1.375 177.910 176.600 -0.109 0.000 1.038 434 K CA 0.938 57.207 56.287 -0.030 0.000 0.986 434 K CB -0.178 32.545 32.500 0.372 0.000 0.782 434 K HN 0.486 nan 8.250 nan 0.000 0.485 435 F N 1.156 120.995 119.950 -0.185 0.000 2.220 435 F HA 0.054 4.561 4.527 -0.033 0.000 0.290 435 F C 2.013 177.658 175.800 -0.258 0.000 1.080 435 F CA 0.881 58.745 58.000 -0.228 0.000 1.318 435 F CB -0.208 38.650 39.000 -0.237 0.000 1.063 435 F HN -0.041 nan 8.300 nan 0.000 0.498 436 E N 0.509 120.364 120.200 -0.574 0.000 2.204 436 E HA -0.192 4.141 4.350 -0.029 0.000 0.195 436 E C 2.190 178.518 176.600 -0.453 0.000 0.990 436 E CA 0.437 56.476 56.400 -0.602 0.000 0.821 436 E CB -0.122 29.430 29.700 -0.246 0.000 0.750 436 E HN 0.258 nan 8.360 nan 0.000 0.477 437 R N 0.448 120.666 120.500 -0.470 0.000 2.152 437 R HA -0.134 4.189 4.340 -0.029 0.000 0.232 437 R C 2.374 178.403 176.300 -0.452 0.000 1.117 437 R CA 0.621 56.397 56.100 -0.539 0.000 0.981 437 R CB -0.441 29.316 30.300 -0.905 0.000 0.870 437 R HN 0.266 nan 8.270 nan 0.000 0.451 438 L N -0.594 120.341 121.223 -0.479 0.000 2.168 438 L HA 0.009 4.332 4.340 -0.029 0.000 0.203 438 L C 2.073 178.743 176.870 -0.335 0.000 1.078 438 L CA 1.091 55.678 54.840 -0.421 0.000 0.780 438 L CB -0.612 41.165 42.059 -0.470 0.000 0.939 438 L HN -0.039 nan 8.230 nan 0.000 0.451 439 F N 1.324 120.849 119.950 -0.708 0.000 2.043 439 F HA -0.275 4.229 4.527 -0.037 0.000 0.297 439 F C 2.428 178.068 175.800 -0.268 0.000 1.118 439 F CA 1.897 59.565 58.000 -0.553 0.000 1.202 439 F CB -0.400 38.161 39.000 -0.731 0.000 0.965 439 F HN 0.077 nan 8.300 nan 0.000 0.482 440 R N -0.767 119.524 120.500 -0.348 0.000 2.241 440 R HA -0.216 4.107 4.340 -0.029 0.000 0.224 440 R C 1.992 178.139 176.300 -0.256 0.000 1.101 440 R CA 1.181 57.066 56.100 -0.359 0.000 0.995 440 R CB -1.802 28.358 30.300 -0.233 0.000 0.870 440 R HN 0.609 nan 8.270 nan 0.000 0.463 441 W N 1.891 122.971 121.300 -0.366 0.000 2.380 441 W HA -0.133 4.508 4.660 -0.031 0.000 0.317 441 W C 1.775 178.151 176.519 -0.238 0.000 1.196 441 W CA 1.107 58.269 57.345 -0.305 0.000 1.307 441 W CB -0.056 29.198 29.460 -0.343 0.000 1.157 441 W HN -0.166 nan 8.180 nan 0.000 0.483 442 I N 0.907 121.667 120.570 0.316 0.000 2.076 442 I HA -0.317 3.836 4.170 -0.029 0.000 0.237 442 I C 2.517 178.620 176.117 -0.023 0.000 1.059 442 I CA 1.753 63.248 61.300 0.326 0.000 1.317 442 I CB -1.926 36.364 38.000 0.484 0.000 1.037 442 I HN 0.181 nan 8.210 nan 0.000 0.398 443 L N 0.817 121.902 121.223 -0.230 0.000 2.151 443 L HA -0.265 4.058 4.340 -0.029 0.000 0.215 443 L C 2.179 178.917 176.870 -0.220 0.000 1.084 443 L CA 2.214 56.883 54.840 -0.286 0.000 0.764 443 L CB -0.454 41.302 42.059 -0.504 0.000 0.891 443 L HN 0.343 nan 8.230 nan 0.000 0.435 444 T N -2.218 112.168 114.554 -0.280 0.000 3.086 444 T HA 0.057 4.390 4.350 -0.029 0.000 0.250 444 T C 1.809 176.308 174.700 -0.335 0.000 1.074 444 T CA -0.115 61.817 62.100 -0.281 0.000 0.988 444 T CB 0.069 68.755 68.868 -0.303 0.000 0.988 444 T HN 0.181 nan 8.240 nan 0.000 0.530 445 R N 1.298 121.563 120.500 -0.391 0.000 2.090 445 R HA 0.231 4.554 4.340 -0.029 0.000 0.219 445 R C 2.061 178.308 176.300 -0.088 0.000 1.100 445 R CA 0.559 56.382 56.100 -0.461 0.000 0.991 445 R CB -0.934 28.848 30.300 -0.862 0.000 0.893 445 R HN 0.294 nan 8.270 nan 0.000 0.443 446 V N 2.010 121.954 119.914 0.050 0.000 2.239 446 V HA -0.182 3.921 4.120 -0.029 0.000 0.242 446 V C 1.909 178.001 176.094 -0.003 0.000 1.038 446 V CA 1.703 64.063 62.300 0.101 0.000 1.002 446 V CB -0.548 31.323 31.823 0.080 0.000 0.641 446 V HN 0.349 nan 8.190 nan 0.000 0.449 447 N N 0.126 118.795 118.700 -0.051 0.000 2.484 447 N HA -0.243 4.480 4.740 -0.029 0.000 0.193 447 N C 1.754 177.224 175.510 -0.066 0.000 1.033 447 N CA 1.531 54.543 53.050 -0.063 0.000 0.906 447 N CB -0.241 38.194 38.487 -0.088 0.000 0.947 447 N HN 0.559 nan 8.380 nan 0.000 0.448 448 K N 0.191 120.545 120.400 -0.075 0.000 2.186 448 K HA 0.065 4.368 4.320 -0.029 0.000 0.202 448 K C 1.831 178.407 176.600 -0.040 0.000 1.052 448 K CA 0.897 57.139 56.287 -0.074 0.000 0.965 448 K CB 0.093 32.529 32.500 -0.107 0.000 0.746 448 K HN 0.039 nan 8.250 nan 0.000 0.457 449 A N 1.343 124.153 122.820 -0.017 0.000 1.878 449 A HA 0.066 4.368 4.320 -0.029 0.000 0.213 449 A C 1.778 179.357 177.584 -0.008 0.000 1.192 449 A CA 0.502 52.539 52.037 -0.001 0.000 0.619 449 A CB -0.449 18.567 19.000 0.026 0.000 0.837 449 A HN 0.310 nan 8.150 nan 0.000 0.446 450 L N -0.280 120.935 121.223 -0.014 0.000 2.786 450 L HA 0.192 4.515 4.340 -0.029 0.000 0.250 450 L C 0.395 177.252 176.870 -0.021 0.000 1.151 450 L CA 0.464 55.293 54.840 -0.019 0.000 0.910 450 L CB -1.223 40.821 42.059 -0.025 0.000 1.082 450 L HN 0.464 nan 8.230 nan 0.000 0.433 459 S N -0.018 115.784 115.700 0.171 0.000 2.687 459 S HA 0.841 5.293 4.470 -0.029 0.000 0.283 459 S C -0.513 174.217 174.600 0.218 0.000 1.170 459 S CA 0.088 58.413 58.200 0.209 0.000 1.008 459 S CB 1.475 64.839 63.200 0.273 0.000 1.026 459 S HN 1.807 nan 8.310 nan 0.000 0.541 460 F N -0.559 119.379 119.950 -0.021 0.000 2.669 460 F HA 0.654 5.159 4.527 -0.037 0.000 0.315 460 F C -2.165 173.565 175.800 -0.115 0.000 1.109 460 F CA -1.228 56.657 58.000 -0.192 0.000 1.028 460 F CB 0.541 39.480 39.000 -0.103 0.000 1.287 460 F HN 0.674 nan 8.300 nan 0.000 0.452 461 L N 3.837 124.882 121.223 -0.296 0.000 2.309 461 L HA 0.925 5.247 4.340 -0.029 0.000 0.282 461 L C -0.017 176.791 176.870 -0.103 0.000 1.036 461 L CA -0.267 54.447 54.840 -0.211 0.000 0.806 461 L CB 1.733 43.802 42.059 0.017 0.000 1.220 461 L HN 1.005 nan 8.230 nan 0.000 0.429 462 G N 5.906 114.606 108.800 -0.166 0.000 2.417 462 G HA2 0.583 4.526 3.960 -0.029 0.000 0.320 462 G HA3 0.583 4.526 3.960 -0.029 0.000 0.320 462 G C -0.854 173.813 174.900 -0.389 0.000 1.204 462 G CA -0.456 44.483 45.100 -0.268 0.000 0.923 462 G HN 0.553 nan 8.290 nan 0.000 0.466 463 I N 3.107 123.362 120.570 -0.524 0.000 2.405 463 I HA 0.216 4.369 4.170 -0.029 0.000 0.280 463 I C -0.695 175.202 176.117 -0.367 0.000 1.027 463 I CA -0.751 60.345 61.300 -0.340 0.000 1.161 463 I CB 1.729 39.606 38.000 -0.205 0.000 1.300 463 I HN 0.214 nan 8.210 nan 0.000 0.463 464 L N 6.157 127.239 121.223 -0.234 0.000 2.282 464 L HA 0.295 4.618 4.340 -0.029 0.000 0.287 464 L C -0.049 176.814 176.870 -0.012 0.000 1.075 464 L CA 0.252 55.067 54.840 -0.043 0.000 0.839 464 L CB 0.415 42.529 42.059 0.092 0.000 1.219 464 L HN 0.499 nan 8.230 nan 0.000 0.434 465 D N 5.103 125.509 120.400 0.009 0.000 2.557 465 D HA 0.233 4.856 4.640 -0.029 0.000 0.236 465 D C 0.348 176.645 176.300 -0.005 0.000 1.154 465 D CA -0.466 53.522 54.000 -0.021 0.000 0.985 465 D CB 0.002 40.773 40.800 -0.047 0.000 1.010 465 D HN 0.493 nan 8.370 nan 0.000 0.516 466 I N -0.317 120.251 120.570 -0.004 0.000 3.488 466 I HA 0.712 4.864 4.170 -0.029 0.000 0.259 466 I C 0.286 176.382 176.117 -0.035 0.000 1.247 466 I CA -1.075 60.220 61.300 -0.009 0.000 0.812 466 I CB 0.564 38.549 38.000 -0.024 0.000 1.672 466 I HN 0.179 nan 8.210 nan 0.000 0.819 467 A N 0.146 122.954 122.820 -0.020 0.000 2.337 467 A HA 0.770 5.073 4.320 -0.029 0.000 0.331 467 A C 0.007 177.601 177.584 0.016 0.000 1.137 467 A CA -0.295 51.727 52.037 -0.024 0.000 0.807 467 A CB 0.625 19.614 19.000 -0.019 0.000 1.250 467 A HN 1.043 nan 8.150 nan 0.000 0.468 468 G N -0.469 108.345 108.800 0.024 0.000 2.400 468 G HA2 0.448 4.391 3.960 -0.029 0.000 0.301 468 G HA3 0.448 4.391 3.960 -0.029 0.000 0.301 468 G C -0.235 174.745 174.900 0.133 0.000 1.154 468 G CA -0.573 44.576 45.100 0.082 0.000 0.852 468 G HN 0.795 nan 8.290 nan 0.000 0.511 469 F N 2.266 122.245 119.950 0.049 0.000 2.392 469 F HA 0.034 4.532 4.527 -0.048 0.000 0.318 469 F C 1.099 176.939 175.800 0.066 0.000 1.209 469 F CA -0.252 57.788 58.000 0.067 0.000 0.914 469 F CB -0.240 38.802 39.000 0.069 0.000 1.103 469 F HN 0.507 nan 8.300 nan 0.000 0.591 470 E N 6.780 126.823 120.200 -0.262 0.000 2.214 470 E HA 0.552 4.885 4.350 -0.029 0.000 0.274 470 E C -0.631 175.807 176.600 -0.269 0.000 0.977 470 E CA -1.090 55.207 56.400 -0.171 0.000 0.827 470 E CB 2.540 32.360 29.700 0.201 0.000 1.130 470 E HN 0.633 nan 8.360 nan 0.000 0.394 471 I N 1.382 121.845 120.570 -0.178 0.000 2.599 471 I HA 0.323 4.476 4.170 -0.029 0.000 0.285 471 I C -1.652 174.521 176.117 0.092 0.000 1.168 471 I CA -0.801 60.460 61.300 -0.065 0.000 1.060 471 I CB 0.560 38.374 38.000 -0.311 0.000 1.249 471 I HN 0.470 nan 8.210 nan 0.000 0.442 472 F N 4.479 124.335 119.950 -0.157 0.000 2.861 472 F HA 0.530 5.035 4.527 -0.038 0.000 0.222 472 F C 1.577 177.325 175.800 -0.086 0.000 1.320 472 F CA -0.518 57.422 58.000 -0.101 0.000 0.960 472 F CB -0.291 38.671 39.000 -0.064 0.000 2.058 472 F HN 0.422 nan 8.300 nan 0.000 0.528 473 E N -0.910 119.414 120.200 0.208 0.000 2.413 473 E HA 0.256 4.589 4.350 -0.029 0.000 0.203 473 E C -0.749 175.887 176.600 0.059 0.000 0.957 473 E CA 0.336 56.788 56.400 0.087 0.000 0.950 473 E CB 0.510 30.257 29.700 0.077 0.000 0.957 473 E HN 0.237 nan 8.360 nan 0.000 0.497 474 I N 1.956 122.560 120.570 0.057 0.000 2.493 474 I HA 0.145 4.298 4.170 -0.029 0.000 0.279 474 I C -0.807 175.297 176.117 -0.021 0.000 1.045 474 I CA -0.428 60.891 61.300 0.031 0.000 1.106 474 I CB 1.492 39.513 38.000 0.035 0.000 1.216 474 I HN -0.159 nan 8.210 nan 0.000 0.459 475 N N 4.715 123.425 118.700 0.018 0.000 3.083 475 N HA 0.110 4.833 4.740 -0.029 0.000 0.260 475 N C 0.245 175.953 175.510 0.329 0.000 1.163 475 N CA -0.166 52.901 53.050 0.028 0.000 1.060 475 N CB 1.120 39.464 38.487 -0.239 0.000 1.345 475 N HN 0.614 nan 8.380 nan 0.000 0.515 476 S N 0.785 116.619 115.700 0.224 0.000 2.614 476 S HA -0.055 4.398 4.470 -0.029 0.000 0.251 476 S C 1.313 176.109 174.600 0.326 0.000 1.388 476 S CA -0.322 58.082 58.200 0.340 0.000 0.973 476 S CB 0.330 63.607 63.200 0.128 0.000 0.926 476 S HN 0.384 nan 8.310 nan 0.000 0.580 477 F N 2.007 121.833 119.950 -0.207 0.000 2.069 477 F HA -0.041 4.476 4.527 -0.017 0.000 0.298 477 F C 2.032 177.611 175.800 -0.370 0.000 1.113 477 F CA 2.427 59.935 58.000 -0.819 0.000 1.214 477 F CB -1.280 37.071 39.000 -1.082 0.000 0.978 477 F HN 0.771 nan 8.300 nan 0.000 0.474 478 E N 0.171 120.186 120.200 -0.308 0.000 2.086 478 E HA -0.323 4.010 4.350 -0.029 0.000 0.205 478 E C 1.994 178.448 176.600 -0.244 0.000 1.027 478 E CA 2.159 58.363 56.400 -0.327 0.000 0.830 478 E CB -0.586 29.023 29.700 -0.152 0.000 0.751 478 E HN 0.394 nan 8.360 nan 0.000 0.456 479 Q N -0.216 119.520 119.800 -0.107 0.000 2.368 479 Q HA -0.108 4.215 4.340 -0.029 0.000 0.210 479 Q C 1.913 177.997 176.000 0.139 0.000 0.982 479 Q CA 0.738 56.537 55.803 -0.007 0.000 0.884 479 Q CB -0.163 28.560 28.738 -0.024 0.000 0.933 479 Q HN 0.320 nan 8.270 nan 0.000 0.460 480 L N -0.993 120.275 121.223 0.075 0.000 2.049 480 L HA -0.076 4.247 4.340 -0.029 0.000 0.203 480 L C 1.678 178.579 176.870 0.050 0.000 1.074 480 L CA 1.658 56.558 54.840 0.100 0.000 0.749 480 L CB -0.747 41.185 42.059 -0.212 0.000 0.907 480 L HN 0.275 nan 8.230 nan 0.000 0.439 481 C N -0.524 118.670 119.300 -0.177 0.000 2.448 481 C HA 0.061 4.504 4.460 -0.029 0.000 0.280 481 C C 2.652 177.734 174.990 0.152 0.000 1.398 481 C CA 0.062 59.112 59.018 0.053 0.000 1.774 481 C CB -1.415 26.153 27.740 -0.288 0.000 1.888 481 C HN 0.613 nan 8.230 nan 0.000 0.519 482 I N 2.126 122.709 120.570 0.022 0.000 2.110 482 I HA -0.178 3.975 4.170 -0.029 0.000 0.236 482 I C 2.208 178.388 176.117 0.105 0.000 1.068 482 I CA 1.699 63.022 61.300 0.037 0.000 1.333 482 I CB -0.290 37.713 38.000 0.006 0.000 1.054 482 I HN 0.264 nan 8.210 nan 0.000 0.402 483 N N -0.065 118.724 118.700 0.148 0.000 2.289 483 N HA -0.246 4.476 4.740 -0.029 0.000 0.184 483 N C 1.613 177.210 175.510 0.145 0.000 1.016 483 N CA 0.957 54.122 53.050 0.192 0.000 0.872 483 N CB -0.504 38.095 38.487 0.186 0.000 0.973 483 N HN 0.409 nan 8.380 nan 0.000 0.433 484 Y N 1.798 122.153 120.300 0.092 0.000 2.165 484 Y HA -0.204 4.338 4.550 -0.013 0.000 0.286 484 Y C 1.974 177.907 175.900 0.055 0.000 1.155 484 Y CA 1.672 59.834 58.100 0.105 0.000 1.164 484 Y CB -0.933 37.610 38.460 0.138 0.000 0.978 484 Y HN 0.041 nan 8.280 nan 0.000 0.513 485 T N 0.512 114.937 114.554 -0.215 0.000 2.821 485 T HA -0.180 4.153 4.350 -0.029 0.000 0.267 485 T C 1.767 176.321 174.700 -0.243 0.000 1.046 485 T CA 1.518 63.425 62.100 -0.322 0.000 1.139 485 T CB -0.501 68.328 68.868 -0.066 0.000 0.871 485 T HN 0.497 nan 8.240 nan 0.000 0.454 486 N N 0.817 119.446 118.700 -0.119 0.000 2.043 486 N HA -0.173 4.550 4.740 -0.029 0.000 0.193 486 N C 2.085 177.368 175.510 -0.378 0.000 1.037 486 N CA 1.412 54.397 53.050 -0.108 0.000 0.851 486 N CB -0.153 38.410 38.487 0.126 0.000 1.027 486 N HN 0.460 nan 8.380 nan 0.000 0.422 487 E N 1.307 121.231 120.200 -0.459 0.000 2.118 487 E HA -0.153 4.180 4.350 -0.029 0.000 0.195 487 E C 1.873 178.238 176.600 -0.391 0.000 0.992 487 E CA 1.117 57.146 56.400 -0.618 0.000 0.804 487 E CB 0.224 29.787 29.700 -0.229 0.000 0.741 487 E HN 0.110 nan 8.360 nan 0.000 0.458 488 K N 0.059 120.257 120.400 -0.337 0.000 2.026 488 K HA -0.135 4.168 4.320 -0.029 0.000 0.208 488 K C 2.025 178.506 176.600 -0.197 0.000 1.048 488 K CA 0.752 56.870 56.287 -0.283 0.000 0.929 488 K CB -0.424 31.826 32.500 -0.417 0.000 0.713 488 K HN 0.219 nan 8.250 nan 0.000 0.439 489 L N 1.878 122.989 121.223 -0.187 0.000 2.093 489 L HA -0.163 4.160 4.340 -0.029 0.000 0.208 489 L C 2.353 179.192 176.870 -0.051 0.000 1.085 489 L CA 1.770 56.565 54.840 -0.074 0.000 0.755 489 L CB -0.976 41.058 42.059 -0.042 0.000 0.904 489 L HN 0.165 nan 8.230 nan 0.000 0.435 490 Q N -0.515 119.168 119.800 -0.195 0.000 2.084 490 Q HA -0.265 4.058 4.340 -0.029 0.000 0.202 490 Q C 2.253 178.206 176.000 -0.078 0.000 0.978 490 Q CA 2.016 57.699 55.803 -0.200 0.000 0.844 490 Q CB -0.370 28.048 28.738 -0.533 0.000 0.898 490 Q HN 0.511 nan 8.270 nan 0.000 0.426 491 Q N -0.228 119.510 119.800 -0.103 0.000 2.084 491 Q HA -0.115 4.208 4.340 -0.029 0.000 0.202 491 Q C 1.903 177.904 176.000 0.001 0.000 0.978 491 Q CA 1.590 57.371 55.803 -0.035 0.000 0.844 491 Q CB -0.710 27.994 28.738 -0.057 0.000 0.898 491 Q HN 0.485 nan 8.270 nan 0.000 0.426 492 L N -0.081 121.149 121.223 0.012 0.000 2.013 492 L HA -0.143 4.180 4.340 -0.029 0.000 0.212 492 L C 2.085 179.008 176.870 0.088 0.000 1.073 492 L CA 2.065 56.952 54.840 0.077 0.000 0.753 492 L CB -1.137 40.983 42.059 0.102 0.000 0.890 492 L HN 0.358 nan 8.230 nan 0.000 0.432 493 F N 1.055 120.931 119.950 -0.122 0.000 2.046 493 F HA -0.268 4.244 4.527 -0.025 0.000 0.297 493 F C 2.161 177.593 175.800 -0.613 0.000 1.123 493 F CA 2.344 60.061 58.000 -0.471 0.000 1.199 493 F CB -0.682 37.856 39.000 -0.770 0.000 0.972 493 F HN 0.358 nan 8.300 nan 0.000 0.474 494 N N -1.352 117.111 118.700 -0.395 0.000 2.104 494 N HA -0.285 4.438 4.740 -0.029 0.000 0.190 494 N C 1.765 176.825 175.510 -0.750 0.000 1.024 494 N CA 1.414 54.018 53.050 -0.744 0.000 0.853 494 N CB -0.571 37.925 38.487 0.015 0.000 1.008 494 N HN 0.366 nan 8.380 nan 0.000 0.424 495 H N 0.870 119.711 119.070 -0.383 0.000 2.253 495 H HA -0.079 4.459 4.556 -0.031 0.000 0.296 495 H C 1.948 177.101 175.328 -0.293 0.000 1.074 495 H CA 2.479 58.388 56.048 -0.231 0.000 1.263 495 H CB -0.737 28.955 29.762 -0.116 0.000 1.363 495 H HN 0.264 nan 8.280 nan 0.000 0.489 496 T N -1.106 113.225 114.554 -0.371 0.000 2.881 496 T HA -0.148 4.184 4.350 -0.029 0.000 0.270 496 T C 1.992 176.399 174.700 -0.489 0.000 1.068 496 T CA 1.284 63.153 62.100 -0.385 0.000 1.131 496 T CB -0.080 68.690 68.868 -0.163 0.000 0.871 496 T HN 0.103 nan 8.240 nan 0.000 0.479 497 M N 1.286 120.404 119.600 -0.803 0.000 2.136 497 M HA 0.256 4.719 4.480 -0.029 0.000 0.249 497 M C 2.048 178.014 176.300 -0.556 0.000 1.146 497 M CA 0.912 55.661 55.300 -0.918 0.000 1.108 497 M CB -1.280 30.254 32.600 -1.776 0.000 1.199 497 M HN 0.286 nan 8.290 nan 0.000 0.439 498 F N 0.360 120.093 119.950 -0.363 0.000 2.074 498 F HA 0.013 4.524 4.527 -0.026 0.000 0.293 498 F C 2.382 178.205 175.800 0.038 0.000 1.116 498 F CA 0.436 58.305 58.000 -0.218 0.000 1.212 498 F CB -1.971 36.883 39.000 -0.244 0.000 0.998 498 F HN 0.077 nan 8.300 nan 0.000 0.471 499 I N 0.464 121.122 120.570 0.148 0.000 2.139 499 I HA -0.348 3.805 4.170 -0.029 0.000 0.211 499 I C 2.497 178.587 176.117 -0.044 0.000 1.000 499 I CA 1.359 62.734 61.300 0.125 0.000 1.327 499 I CB -1.025 37.036 38.000 0.101 0.000 1.052 499 I HN 0.103 nan 8.210 nan 0.000 0.385 500 L N 0.378 121.381 121.223 -0.367 0.000 2.056 500 L HA -0.384 3.939 4.340 -0.029 0.000 0.237 500 L C 2.698 179.448 176.870 -0.201 0.000 1.106 500 L CA 2.344 56.966 54.840 -0.363 0.000 0.829 500 L CB -0.669 41.079 42.059 -0.518 0.000 0.924 500 L HN 0.438 nan 8.230 nan 0.000 0.447 501 E N -0.437 119.631 120.200 -0.220 0.000 2.086 501 E HA -0.370 3.963 4.350 -0.029 0.000 0.205 501 E C 2.086 178.474 176.600 -0.354 0.000 1.027 501 E CA 2.268 58.504 56.400 -0.274 0.000 0.830 501 E CB -0.251 29.325 29.700 -0.207 0.000 0.751 501 E HN 0.414 nan 8.360 nan 0.000 0.456 502 Q N -0.093 119.716 119.800 0.016 0.000 2.173 502 Q HA -0.248 4.075 4.340 -0.029 0.000 0.208 502 Q C 2.061 178.192 176.000 0.219 0.000 0.989 502 Q CA 2.236 58.270 55.803 0.385 0.000 0.872 502 Q CB -0.016 29.146 28.738 0.706 0.000 0.909 502 Q HN 0.419 nan 8.270 nan 0.000 0.420 503 E N 0.140 120.386 120.200 0.076 0.000 2.070 503 E HA -0.269 4.064 4.350 -0.029 0.000 0.197 503 E C 1.882 178.489 176.600 0.010 0.000 1.004 503 E CA 1.515 57.941 56.400 0.044 0.000 0.805 503 E CB -0.272 29.422 29.700 -0.010 0.000 0.744 503 E HN 0.383 nan 8.360 nan 0.000 0.451 504 E N 0.366 120.508 120.200 -0.096 0.000 2.265 504 E HA -0.170 4.163 4.350 -0.029 0.000 0.196 504 E C 1.662 178.258 176.600 -0.006 0.000 0.996 504 E CA 0.825 57.196 56.400 -0.048 0.000 0.832 504 E CB -0.203 29.460 29.700 -0.062 0.000 0.756 504 E HN 0.293 nan 8.360 nan 0.000 0.491 505 Y N 0.456 120.776 120.300 0.034 0.000 2.184 505 Y HA -0.066 4.467 4.550 -0.028 0.000 0.290 505 Y C 2.322 178.207 175.900 -0.025 0.000 1.129 505 Y CA 1.353 59.371 58.100 -0.137 0.000 1.144 505 Y CB -0.724 37.625 38.460 -0.186 0.000 0.995 505 Y HN 0.135 nan 8.280 nan 0.000 0.513 506 Q N -0.308 119.647 119.800 0.259 0.000 2.050 506 Q HA -0.171 4.151 4.340 -0.029 0.000 0.202 506 Q C 2.407 178.454 176.000 0.078 0.000 0.980 506 Q CA 1.424 57.331 55.803 0.175 0.000 0.840 506 Q CB -0.204 28.631 28.738 0.163 0.000 0.898 506 Q HN 0.344 nan 8.270 nan 0.000 0.424 507 R N 0.325 120.859 120.500 0.057 0.000 2.083 507 R HA -0.154 4.169 4.340 -0.029 0.000 0.237 507 R C 2.083 178.390 176.300 0.011 0.000 1.137 507 R CA 1.227 57.345 56.100 0.029 0.000 0.951 507 R CB -0.027 30.288 30.300 0.025 0.000 0.851 507 R HN 0.223 nan 8.270 nan 0.000 0.434 508 E N -1.220 118.977 120.200 -0.005 0.000 2.208 508 E HA -0.060 4.273 4.350 -0.029 0.000 0.193 508 E C 1.300 177.860 176.600 -0.066 0.000 0.988 508 E CA 1.096 57.472 56.400 -0.040 0.000 0.828 508 E CB 0.328 29.979 29.700 -0.082 0.000 0.763 508 E HN 0.624 nan 8.360 nan 0.000 0.478 509 G N 1.402 110.167 108.800 -0.058 0.000 2.213 509 G HA2 -0.300 3.643 3.960 -0.029 0.000 0.236 509 G HA3 -0.300 3.643 3.960 -0.029 0.000 0.236 509 G C 0.612 175.470 174.900 -0.071 0.000 0.991 509 G CA 0.180 45.258 45.100 -0.036 0.000 0.629 509 G HN 0.337 nan 8.290 nan 0.000 0.517 510 I N -0.192 120.263 120.570 -0.192 0.000 3.115 510 I HA 0.168 4.321 4.170 -0.029 0.000 0.315 510 I C 0.890 176.946 176.117 -0.101 0.000 1.211 510 I CA 0.657 61.798 61.300 -0.265 0.000 1.453 510 I CB 0.441 38.077 38.000 -0.606 0.000 1.307 510 I HN 0.261 nan 8.210 nan 0.000 0.568 511 E N 6.954 127.098 120.200 -0.093 0.000 1.954 511 E HA -0.071 4.262 4.350 -0.029 0.000 0.272 511 E C -0.846 175.842 176.600 0.147 0.000 1.170 511 E CA -0.056 56.348 56.400 0.007 0.000 1.101 511 E CB 0.093 29.783 29.700 -0.017 0.000 1.076 511 E HN 0.705 nan 8.360 nan 0.000 0.449 512 W N 3.764 125.010 121.300 -0.090 0.000 3.207 512 W HA 0.369 5.012 4.660 -0.029 0.000 0.340 512 W C -0.949 175.577 176.519 0.011 0.000 1.336 512 W CA -0.718 56.593 57.345 -0.057 0.000 1.097 512 W CB 1.530 30.938 29.460 -0.087 0.000 1.671 512 W HN 0.416 nan 8.180 nan 0.000 0.636 513 N N 1.302 119.320 118.700 -1.137 0.000 2.555 513 N HA 0.146 4.869 4.740 -0.029 0.000 0.265 513 N C -1.915 173.031 175.510 -0.940 0.000 1.135 513 N CA -0.580 52.011 53.050 -0.766 0.000 0.925 513 N CB 1.684 39.830 38.487 -0.569 0.000 1.662 513 N HN 0.240 nan 8.380 nan 0.000 0.489 514 F N 1.847 121.560 119.950 -0.394 0.000 2.459 514 F HA 0.575 5.084 4.527 -0.030 0.000 0.346 514 F C -0.680 175.043 175.800 -0.129 0.000 1.128 514 F CA -0.237 57.691 58.000 -0.119 0.000 1.268 514 F CB 0.522 39.541 39.000 0.031 0.000 1.161 514 F HN 0.474 nan 8.300 nan 0.000 0.583 515 I N 4.961 124.861 120.570 -1.116 0.000 2.500 515 I HA 0.159 4.312 4.170 -0.029 0.000 0.286 515 I C -1.169 174.197 176.117 -1.253 0.000 1.063 515 I CA -0.588 60.122 61.300 -0.983 0.000 1.062 515 I CB 1.549 39.256 38.000 -0.488 0.000 1.223 515 I HN 0.412 nan 8.210 nan 0.000 0.435 516 D N 5.613 125.385 120.400 -1.045 0.000 2.339 516 D HA 0.203 4.825 4.640 -0.029 0.000 0.241 516 D C 0.474 176.597 176.300 -0.296 0.000 1.183 516 D CA 0.059 53.819 54.000 -0.400 0.000 0.859 516 D CB 0.710 41.498 40.800 -0.020 0.000 1.067 516 D HN 0.288 nan 8.370 nan 0.000 0.484 517 F N 1.179 121.012 119.950 -0.194 0.000 2.804 517 F HA 0.158 4.670 4.527 -0.026 0.000 0.303 517 F C 1.975 177.659 175.800 -0.193 0.000 1.154 517 F CA 0.118 57.924 58.000 -0.325 0.000 1.401 517 F CB -0.172 38.321 39.000 -0.846 0.000 1.106 517 F HN 0.574 nan 8.300 nan 0.000 0.568 518 G N 1.649 110.492 108.800 0.073 0.000 2.372 518 G HA2 -0.279 3.664 3.960 -0.029 0.000 0.297 518 G HA3 -0.279 3.664 3.960 -0.029 0.000 0.297 518 G C -0.444 174.543 174.900 0.145 0.000 1.005 518 G CA -0.013 45.144 45.100 0.095 0.000 1.173 518 G HN 0.378 nan 8.290 nan 0.000 0.511 519 L N 0.866 122.232 121.223 0.238 0.000 2.573 519 L HA 0.555 4.878 4.340 -0.029 0.000 0.260 519 L C -0.876 176.180 176.870 0.310 0.000 0.997 519 L CA -0.611 54.413 54.840 0.306 0.000 0.890 519 L CB 2.043 44.398 42.059 0.493 0.000 1.179 519 L HN 0.337 nan 8.230 nan 0.000 0.439 520 D N 2.780 123.313 120.400 0.223 0.000 2.931 520 D HA 0.404 5.026 4.640 -0.029 0.000 0.215 520 D C -0.438 175.953 176.300 0.151 0.000 1.297 520 D CA -0.430 53.678 54.000 0.180 0.000 0.892 520 D CB 1.560 42.465 40.800 0.174 0.000 1.642 520 D HN 0.312 nan 8.370 nan 0.000 0.560 521 L N 2.273 123.568 121.223 0.120 0.000 2.959 521 L HA 0.337 4.660 4.340 -0.029 0.000 0.259 521 L C 1.763 178.701 176.870 0.114 0.000 1.185 521 L CA -0.516 54.396 54.840 0.121 0.000 0.998 521 L CB 0.206 42.312 42.059 0.079 0.000 1.337 521 L HN 0.294 nan 8.230 nan 0.000 0.555 522 Q N 2.072 121.930 119.800 0.097 0.000 2.082 522 Q HA -0.161 4.162 4.340 -0.029 0.000 0.211 522 Q C -0.517 175.562 176.000 0.131 0.000 1.002 522 Q CA 2.612 58.467 55.803 0.086 0.000 0.868 522 Q CB -1.227 27.550 28.738 0.066 0.000 0.931 522 Q HN 0.328 nan 8.270 nan 0.000 0.414 523 P HA -0.190 nan 4.420 nan 0.000 0.212 523 P C 1.259 178.722 177.300 0.270 0.000 1.178 523 P CA 1.546 64.801 63.100 0.259 0.000 0.915 523 P CB -0.560 31.319 31.700 0.299 0.000 0.788 524 C N -1.166 118.258 119.300 0.206 0.000 2.402 524 C HA -0.075 4.368 4.460 -0.029 0.000 0.301 524 C C 2.705 177.803 174.990 0.181 0.000 1.455 524 C CA 0.329 59.431 59.018 0.140 0.000 1.787 524 C CB -2.209 25.650 27.740 0.199 0.000 1.726 524 C HN 0.112 nan 8.230 nan 0.000 0.565 525 I N -0.250 120.432 120.570 0.187 0.000 2.499 525 I HA -0.006 4.147 4.170 -0.029 0.000 0.243 525 I C 2.372 178.591 176.117 0.170 0.000 1.085 525 I CA 0.634 62.064 61.300 0.216 0.000 1.422 525 I CB -0.703 37.404 38.000 0.178 0.000 1.165 525 I HN 0.107 nan 8.210 nan 0.000 0.440 526 E N 1.440 121.731 120.200 0.152 0.000 2.130 526 E HA -0.270 4.063 4.350 -0.029 0.000 0.196 526 E C 2.189 178.861 176.600 0.120 0.000 0.998 526 E CA 1.217 57.693 56.400 0.127 0.000 0.806 526 E CB -0.722 29.057 29.700 0.131 0.000 0.738 526 E HN 0.460 nan 8.360 nan 0.000 0.459 527 L N 0.292 121.601 121.223 0.144 0.000 2.450 527 L HA -0.138 4.184 4.340 -0.029 0.000 0.225 527 L C 1.826 178.707 176.870 0.018 0.000 1.145 527 L CA 0.840 55.709 54.840 0.047 0.000 0.801 527 L CB 0.106 42.045 42.059 -0.199 0.000 0.924 527 L HN 0.081 nan 8.230 nan 0.000 0.447 528 I N -2.749 117.847 120.570 0.044 0.000 4.541 528 I HA 0.085 4.238 4.170 -0.029 0.000 0.337 528 I C 1.148 177.225 176.117 -0.066 0.000 1.338 528 I CA 0.085 61.385 61.300 0.000 0.000 1.244 528 I CB 0.423 38.421 38.000 -0.003 0.000 1.417 528 I HN 0.120 nan 8.210 nan 0.000 0.501 529 E N 0.801 121.007 120.200 0.010 0.000 2.357 529 E HA 0.266 4.599 4.350 -0.029 0.000 0.190 529 E C 0.759 177.376 176.600 0.027 0.000 1.022 529 E CA -0.520 55.891 56.400 0.018 0.000 1.068 529 E CB 0.164 29.921 29.700 0.095 0.000 1.465 529 E HN 0.132 nan 8.360 nan 0.000 0.503 530 R N 1.753 122.278 120.500 0.042 0.000 2.486 530 R HA -0.052 4.271 4.340 -0.029 0.000 0.304 530 R C -1.904 174.412 176.300 0.026 0.000 0.913 530 R CA -0.351 55.768 56.100 0.032 0.000 1.124 530 R CB 0.583 30.904 30.300 0.035 0.000 0.891 530 R HN 0.220 nan 8.270 nan 0.000 0.410 531 P HA -0.007 nan 4.420 nan 0.000 0.212 531 P C 0.083 177.393 177.300 0.016 0.000 1.163 531 P CA 0.592 63.705 63.100 0.022 0.000 0.892 531 P CB -0.216 31.496 31.700 0.020 0.000 0.766 532 T N -1.502 113.059 114.554 0.010 0.000 2.748 532 T HA 0.166 4.499 4.350 -0.029 0.000 0.304 532 T C 0.661 175.364 174.700 0.006 0.000 1.041 532 T CA -0.356 61.748 62.100 0.005 0.000 1.033 532 T CB -0.395 68.474 68.868 0.001 0.000 0.995 532 T HN 0.184 nan 8.240 nan 0.000 0.536 533 N N -0.262 118.440 118.700 0.003 0.000 5.925 533 N HA -0.129 4.594 4.740 -0.029 0.000 0.361 533 N C -2.877 172.634 175.510 0.003 0.000 0.922 533 N CA 0.140 53.191 53.050 0.002 0.000 1.177 533 N CB -1.834 36.655 38.487 0.003 0.000 0.806 533 N HN 0.514 nan 8.380 nan 0.000 0.456 534 P HA 0.053 nan 4.420 nan 0.000 0.257 534 P C -2.178 175.126 177.300 0.007 0.000 1.162 534 P CA 0.029 63.129 63.100 0.001 0.000 0.762 534 P CB -0.050 31.651 31.700 0.001 0.000 0.753 535 P HA 0.222 nan 4.420 nan 0.000 0.276 535 P C 0.168 177.472 177.300 0.007 0.000 1.244 535 P CA -0.057 63.049 63.100 0.010 0.000 0.801 535 P CB 0.940 32.648 31.700 0.013 0.000 1.006 536 G N -0.043 108.771 108.800 0.025 0.000 2.417 536 G HA2 0.336 4.278 3.960 -0.029 0.000 0.334 536 G HA3 0.336 4.278 3.960 -0.029 0.000 0.334 536 G C 0.992 175.927 174.900 0.059 0.000 1.150 536 G CA -0.754 44.361 45.100 0.024 0.000 0.923 536 G HN 0.263 nan 8.290 nan 0.000 0.485 537 V N 1.080 121.031 119.914 0.062 0.000 2.353 537 V HA -0.267 3.836 4.120 -0.029 0.000 0.260 537 V C 2.621 178.934 176.094 0.365 0.000 1.091 537 V CA 2.144 64.564 62.300 0.200 0.000 1.088 537 V CB -0.625 31.378 31.823 0.300 0.000 0.672 537 V HN 0.615 nan 8.190 nan 0.000 0.455 538 L N -1.200 120.159 121.223 0.227 0.000 2.168 538 L HA 0.034 4.356 4.340 -0.029 0.000 0.203 538 L C 2.575 179.526 176.870 0.135 0.000 1.078 538 L CA 1.195 56.151 54.840 0.194 0.000 0.780 538 L CB -0.493 41.645 42.059 0.133 0.000 0.939 538 L HN 0.340 nan 8.230 nan 0.000 0.451 539 A N 0.512 123.398 122.820 0.109 0.000 1.873 539 A HA -0.264 4.039 4.320 -0.029 0.000 0.218 539 A C 2.125 179.781 177.584 0.120 0.000 1.193 539 A CA 1.961 54.054 52.037 0.092 0.000 0.629 539 A CB -0.949 18.089 19.000 0.064 0.000 0.826 539 A HN 0.425 nan 8.150 nan 0.000 0.447 540 L N -1.375 119.942 121.223 0.158 0.000 1.955 540 L HA -0.225 4.097 4.340 -0.029 0.000 0.213 540 L C 2.599 179.620 176.870 0.252 0.000 1.072 540 L CA 1.662 56.627 54.840 0.209 0.000 0.755 540 L CB -0.784 41.407 42.059 0.221 0.000 0.888 540 L HN 0.485 nan 8.230 nan 0.000 0.432 541 L N 0.039 121.424 121.223 0.270 0.000 2.021 541 L HA -0.316 4.007 4.340 -0.029 0.000 0.215 541 L C 2.039 178.834 176.870 -0.125 0.000 1.074 541 L CA 1.958 56.611 54.840 -0.313 0.000 0.760 541 L CB -0.628 40.984 42.059 -0.745 0.000 0.889 541 L HN 0.279 nan 8.230 nan 0.000 0.433 542 D N -0.219 120.173 120.400 -0.012 0.000 2.564 542 D HA -0.302 4.321 4.640 -0.029 0.000 0.209 542 D C 2.060 178.496 176.300 0.227 0.000 1.075 542 D CA 2.084 56.133 54.000 0.080 0.000 0.922 542 D CB -0.597 40.290 40.800 0.145 0.000 1.186 542 D HN 0.650 nan 8.370 nan 0.000 0.487 543 E N 1.072 121.468 120.200 0.327 0.000 2.072 543 E HA -0.216 4.117 4.350 -0.029 0.000 0.191 543 E C 1.832 178.667 176.600 0.391 0.000 0.985 543 E CA 1.115 57.824 56.400 0.516 0.000 0.801 543 E CB -0.510 29.329 29.700 0.232 0.000 0.750 543 E HN 0.303 nan 8.360 nan 0.000 0.452 544 E N 1.088 121.419 120.200 0.218 0.000 2.284 544 E HA -0.197 4.136 4.350 -0.029 0.000 0.200 544 E C 2.124 178.825 176.600 0.168 0.000 1.008 544 E CA 1.471 57.970 56.400 0.165 0.000 0.829 544 E CB -0.496 29.293 29.700 0.149 0.000 0.744 544 E HN 0.517 nan 8.360 nan 0.000 0.491 545 C N -1.478 117.881 119.300 0.099 0.000 2.495 545 C HA 0.107 4.550 4.460 -0.029 0.000 0.275 545 C C 2.212 177.211 174.990 0.016 0.000 1.392 545 C CA -0.322 58.686 59.018 -0.017 0.000 1.766 545 C CB -1.827 25.795 27.740 -0.197 0.000 1.933 545 C HN 0.461 nan 8.230 nan 0.000 0.519 546 W N 0.002 121.351 121.300 0.081 0.000 2.595 546 W HA 0.214 4.857 4.660 -0.029 0.000 0.257 546 W C 1.233 177.809 176.519 0.094 0.000 1.267 546 W CA -0.310 57.079 57.345 0.073 0.000 1.300 546 W CB -0.439 29.061 29.460 0.066 0.000 1.120 546 W HN 0.226 nan 8.180 nan 0.000 0.618 547 F N 3.458 123.526 119.950 0.197 0.000 2.471 547 F HA 0.093 4.603 4.527 -0.029 0.000 0.353 547 F C -0.620 175.222 175.800 0.069 0.000 1.113 547 F CA -2.403 55.668 58.000 0.118 0.000 1.262 547 F CB 0.794 39.849 39.000 0.092 0.000 1.146 547 F HN -0.294 nan 8.300 nan 0.000 0.578 548 P HA -0.208 nan 4.420 nan 0.000 0.214 548 P C 0.301 177.600 177.300 -0.002 0.000 1.162 548 P CA 1.437 64.364 63.100 -0.288 0.000 0.879 548 P CB -0.030 31.408 31.700 -0.437 0.000 0.786 549 K N 0.347 120.874 120.400 0.211 0.000 3.100 549 K HA 0.345 4.648 4.320 -0.029 0.000 0.256 549 K C -0.444 176.442 176.600 0.476 0.000 1.146 549 K CA -0.372 56.169 56.287 0.424 0.000 1.233 549 K CB -0.540 32.269 32.500 0.515 0.000 1.226 549 K HN -0.004 nan 8.250 nan 0.000 0.442 550 A N 0.972 124.044 122.820 0.421 0.000 2.305 550 A HA 0.532 4.835 4.320 -0.029 0.000 0.322 550 A C -0.346 177.313 177.584 0.124 0.000 1.187 550 A CA -0.440 51.747 52.037 0.250 0.000 0.825 550 A CB 0.876 20.042 19.000 0.276 0.000 1.164 550 A HN 0.419 nan 8.150 nan 0.000 0.498 551 T N -0.441 114.164 114.554 0.086 0.000 2.864 551 T HA 0.417 4.749 4.350 -0.029 0.000 0.299 551 T C 0.040 174.783 174.700 0.071 0.000 1.166 551 T CA -0.534 61.604 62.100 0.063 0.000 1.007 551 T CB 1.249 70.147 68.868 0.051 0.000 1.219 551 T HN 0.501 nan 8.240 nan 0.000 0.506 552 D N 1.400 121.837 120.400 0.061 0.000 2.154 552 D HA -0.205 4.418 4.640 -0.029 0.000 0.190 552 D C 1.937 178.288 176.300 0.085 0.000 1.003 552 D CA 2.208 56.251 54.000 0.071 0.000 0.849 552 D CB -1.195 39.640 40.800 0.058 0.000 0.942 552 D HN 0.705 nan 8.370 nan 0.000 0.446 553 T N 1.710 116.289 114.554 0.041 0.000 2.443 553 T HA -0.228 4.105 4.350 -0.029 0.000 0.248 553 T C 2.225 176.923 174.700 -0.002 0.000 1.247 553 T CA 2.764 64.866 62.100 0.004 0.000 1.261 553 T CB -1.022 67.847 68.868 0.002 0.000 0.867 553 T HN 0.326 nan 8.240 nan 0.000 0.394 554 S N 2.587 118.290 115.700 0.005 0.000 2.509 554 S HA -0.355 4.098 4.470 -0.029 0.000 0.285 554 S C 1.609 176.200 174.600 -0.015 0.000 1.185 554 S CA 2.018 60.209 58.200 -0.014 0.000 1.152 554 S CB -1.589 61.609 63.200 -0.003 0.000 1.088 554 S HN 0.472 nan 8.310 nan 0.000 0.446 555 F N 4.029 123.910 119.950 -0.115 0.000 2.025 555 F HA -0.197 4.312 4.527 -0.030 0.000 0.297 555 F C 2.323 178.003 175.800 -0.200 0.000 1.132 555 F CA 1.716 59.632 58.000 -0.141 0.000 1.191 555 F CB -1.174 37.745 39.000 -0.135 0.000 0.963 555 F HN 0.101 nan 8.300 nan 0.000 0.481 556 V N 1.757 121.281 119.914 -0.649 0.000 2.277 556 V HA -0.402 3.700 4.120 -0.029 0.000 0.255 556 V C 2.512 178.296 176.094 -0.518 0.000 1.074 556 V CA 2.472 64.299 62.300 -0.788 0.000 1.058 556 V CB -1.482 30.078 31.823 -0.437 0.000 0.656 556 V HN 0.522 nan 8.190 nan 0.000 0.449 557 E N 0.998 121.017 120.200 -0.300 0.000 2.110 557 E HA -0.273 4.060 4.350 -0.029 0.000 0.193 557 E C 2.066 178.550 176.600 -0.194 0.000 0.988 557 E CA 1.570 57.857 56.400 -0.188 0.000 0.804 557 E CB -0.392 29.235 29.700 -0.121 0.000 0.745 557 E HN 0.667 nan 8.360 nan 0.000 0.458 558 K N 0.665 120.924 120.400 -0.234 0.000 2.026 558 K HA -0.122 4.181 4.320 -0.029 0.000 0.208 558 K C 2.291 178.751 176.600 -0.234 0.000 1.048 558 K CA 0.732 56.906 56.287 -0.189 0.000 0.929 558 K CB -0.229 32.188 32.500 -0.139 0.000 0.713 558 K HN -0.008 nan 8.250 nan 0.000 0.439 559 L N 0.974 121.950 121.223 -0.412 0.000 2.043 559 L HA -0.217 4.106 4.340 -0.029 0.000 0.212 559 L C 1.911 178.606 176.870 -0.291 0.000 1.075 559 L CA 1.727 56.296 54.840 -0.452 0.000 0.752 559 L CB -0.263 41.359 42.059 -0.728 0.000 0.891 559 L HN 0.263 nan 8.230 nan 0.000 0.432 560 I N -2.394 118.099 120.570 -0.128 0.000 2.500 560 I HA -0.203 3.949 4.170 -0.029 0.000 0.252 560 I C 2.222 178.340 176.117 0.002 0.000 1.142 560 I CA 0.594 61.934 61.300 0.067 0.000 1.451 560 I CB -0.617 37.440 38.000 0.094 0.000 1.093 560 I HN 0.233 nan 8.210 nan 0.000 0.430 561 Q N 0.905 120.669 119.800 -0.059 0.000 2.449 561 Q HA -0.222 4.101 4.340 -0.029 0.000 0.214 561 Q C 1.128 177.105 176.000 -0.040 0.000 0.986 561 Q CA 1.457 57.231 55.803 -0.048 0.000 0.893 561 Q CB 0.136 28.833 28.738 -0.068 0.000 0.940 561 Q HN 0.650 nan 8.270 nan 0.000 0.477 562 E N -2.424 117.745 120.200 -0.053 0.000 2.661 562 E HA -0.002 4.331 4.350 -0.029 0.000 0.202 562 E C 0.973 177.550 176.600 -0.038 0.000 0.911 562 E CA 0.025 56.399 56.400 -0.043 0.000 1.581 562 E CB 0.230 29.897 29.700 -0.055 0.000 1.667 562 E HN -0.043 nan 8.360 nan 0.000 0.911 563 Q N 0.362 120.102 119.800 -0.100 0.000 2.356 563 Q HA 0.178 4.501 4.340 -0.029 0.000 0.205 563 Q C 1.644 177.715 176.000 0.118 0.000 0.901 563 Q CA 0.687 56.419 55.803 -0.119 0.000 0.938 563 Q CB 0.409 28.859 28.738 -0.480 0.000 1.081 563 Q HN 0.313 nan 8.270 nan 0.000 0.517 564 G N 0.669 109.601 108.800 0.220 0.000 2.591 564 G HA2 -0.242 3.701 3.960 -0.029 0.000 0.218 564 G HA3 -0.242 3.701 3.960 -0.029 0.000 0.218 564 G C 0.941 176.017 174.900 0.292 0.000 1.113 564 G CA 0.646 45.975 45.100 0.383 0.000 0.740 564 G HN 0.263 nan 8.290 nan 0.000 0.569 565 N N -0.541 118.296 118.700 0.228 0.000 2.458 565 N HA 0.101 4.823 4.740 -0.029 0.000 0.274 565 N C -1.009 174.618 175.510 0.195 0.000 1.242 565 N CA -0.150 52.998 53.050 0.164 0.000 0.904 565 N CB 0.316 38.852 38.487 0.081 0.000 1.206 565 N HN 0.502 nan 8.380 nan 0.000 0.510 566 H N -0.381 118.817 119.070 0.215 0.000 2.481 566 H HA 0.403 4.942 4.556 -0.028 0.000 0.333 566 H C 1.000 176.452 175.328 0.206 0.000 1.066 566 H CA -0.446 55.717 56.048 0.192 0.000 1.209 566 H CB 1.723 31.596 29.762 0.185 0.000 1.445 566 H HN 0.138 nan 8.280 nan 0.000 0.488 567 A N 4.427 127.539 122.820 0.487 0.000 1.849 567 A HA -0.199 4.103 4.320 -0.029 0.000 0.217 567 A C 1.955 179.699 177.584 0.266 0.000 1.202 567 A CA 1.349 53.572 52.037 0.310 0.000 0.629 567 A CB -0.278 18.869 19.000 0.245 0.000 0.834 567 A HN 0.642 nan 8.150 nan 0.000 0.447 568 K N -1.187 119.374 120.400 0.268 0.000 2.589 568 K HA 0.031 4.334 4.320 -0.029 0.000 0.195 568 K C -0.196 176.439 176.600 0.058 0.000 1.040 568 K CA 0.118 56.436 56.287 0.052 0.000 0.950 568 K CB -0.771 31.681 32.500 -0.079 0.000 0.781 568 K HN 0.458 nan 8.250 nan 0.000 0.486 569 F N 0.595 120.511 119.950 -0.057 0.000 2.492 569 F HA 0.370 4.879 4.527 -0.031 0.000 0.327 569 F C -0.622 175.213 175.800 0.059 0.000 1.079 569 F CA -1.110 56.891 58.000 0.003 0.000 0.967 569 F CB 1.301 40.325 39.000 0.041 0.000 1.169 569 F HN -0.159 nan 8.300 nan 0.000 0.472 570 Q N 3.978 123.351 119.800 -0.712 0.000 2.320 570 Q HA 0.196 4.519 4.340 -0.029 0.000 0.272 570 Q C -1.311 174.309 176.000 -0.634 0.000 1.023 570 Q CA -1.025 54.452 55.803 -0.543 0.000 0.855 570 Q CB 2.753 31.369 28.738 -0.203 0.000 1.367 570 Q HN 0.604 nan 8.270 nan 0.000 0.406 571 K N 1.415 121.545 120.400 -0.450 0.000 2.412 571 K HA 0.119 4.422 4.320 -0.029 0.000 0.284 571 K C 0.074 176.593 176.600 -0.134 0.000 1.046 571 K CA 0.173 56.297 56.287 -0.271 0.000 0.999 571 K CB 0.776 33.178 32.500 -0.163 0.000 0.941 571 K HN 0.524 nan 8.250 nan 0.000 0.474 572 S N 3.045 118.707 115.700 -0.063 0.000 2.599 572 S HA -0.089 4.364 4.470 -0.029 0.000 0.303 572 S C 0.829 175.414 174.600 -0.024 0.000 1.267 572 S CA 0.392 58.585 58.200 -0.011 0.000 1.055 572 S CB 0.436 63.658 63.200 0.037 0.000 0.790 572 S HN 0.558 nan 8.310 nan 0.000 0.500 573 K N 2.263 122.651 120.400 -0.019 0.000 2.067 573 K HA 0.066 4.369 4.320 -0.029 0.000 0.203 573 K C 0.395 176.990 176.600 -0.008 0.000 1.048 573 K CA 0.891 57.167 56.287 -0.018 0.000 0.954 573 K CB 0.061 32.551 32.500 -0.017 0.000 0.737 573 K HN 0.655 nan 8.250 nan 0.000 0.444 574 Q N 0.829 120.628 119.800 -0.001 0.000 2.322 574 Q HA 0.272 4.595 4.340 -0.029 0.000 0.265 574 Q C -0.342 175.664 176.000 0.011 0.000 0.985 574 Q CA -0.142 55.663 55.803 0.004 0.000 0.849 574 Q CB 1.953 30.695 28.738 0.006 0.000 1.274 574 Q HN 0.141 nan 8.270 nan 0.000 0.449 575 L N 3.485 124.713 121.223 0.008 0.000 3.154 575 L HA 0.080 4.402 4.340 -0.029 0.000 0.266 575 L C 1.438 178.315 176.870 0.012 0.000 1.300 575 L CA -0.012 54.835 54.840 0.011 0.000 1.028 575 L CB 0.064 42.125 42.059 0.004 0.000 1.412 575 L HN 0.729 nan 8.230 nan 0.000 0.564 576 K N -0.564 119.844 120.400 0.014 0.000 2.113 576 K HA -0.304 3.999 4.320 -0.029 0.000 0.224 576 K C 0.247 176.856 176.600 0.015 0.000 0.975 576 K CA 2.480 58.776 56.287 0.015 0.000 0.973 576 K CB -0.151 32.361 32.500 0.019 0.000 0.867 576 K HN 0.310 nan 8.250 nan 0.000 0.470 577 D N -0.911 119.500 120.400 0.019 0.000 2.097 577 D HA 0.154 4.777 4.640 -0.029 0.000 0.325 577 D C 0.460 176.772 176.300 0.020 0.000 1.087 577 D CA -0.012 54.000 54.000 0.019 0.000 0.917 577 D CB 0.506 41.320 40.800 0.023 0.000 1.784 577 D HN 0.117 nan 8.370 nan 0.000 0.532 578 K N 0.556 120.971 120.400 0.026 0.000 2.720 578 K HA 0.492 4.795 4.320 -0.029 0.000 0.281 578 K C -0.317 176.297 176.600 0.022 0.000 1.019 578 K CA -0.261 56.042 56.287 0.027 0.000 1.088 578 K CB 1.126 33.649 32.500 0.039 0.000 1.449 578 K HN 0.002 nan 8.250 nan 0.000 0.542 579 T N -0.871 113.696 114.554 0.021 0.000 2.841 579 T HA 0.582 4.915 4.350 -0.029 0.000 0.283 579 T C -1.053 173.675 174.700 0.048 0.000 1.000 579 T CA -0.853 61.255 62.100 0.014 0.000 0.977 579 T CB 1.471 70.324 68.868 -0.025 0.000 0.979 579 T HN 0.609 nan 8.240 nan 0.000 0.446 580 E N 1.728 121.988 120.200 0.101 0.000 2.460 580 E HA 0.805 5.138 4.350 -0.029 0.000 0.277 580 E C -1.443 175.389 176.600 0.386 0.000 1.010 580 E CA -1.236 55.310 56.400 0.244 0.000 0.838 580 E CB 1.643 31.430 29.700 0.146 0.000 1.448 580 E HN 0.656 nan 8.360 nan 0.000 0.462 581 F N -1.581 118.393 119.950 0.041 0.000 2.678 581 F HA 0.747 5.258 4.527 -0.027 0.000 0.308 581 F C -1.394 174.516 175.800 0.183 0.000 1.118 581 F CA -2.003 56.036 58.000 0.065 0.000 0.959 581 F CB 0.482 39.550 39.000 0.114 0.000 1.305 581 F HN 0.725 nan 8.300 nan 0.000 0.443 582 C N 1.784 121.114 119.300 0.049 0.000 2.561 582 C HA 0.908 5.350 4.460 -0.029 0.000 0.319 582 C C -0.176 174.858 174.990 0.073 0.000 1.198 582 C CA -0.993 58.029 59.018 0.007 0.000 1.665 582 C CB 0.989 28.712 27.740 -0.028 0.000 2.258 582 C HN 0.811 nan 8.230 nan 0.000 0.493 583 I N 1.358 121.986 120.570 0.096 0.000 2.603 583 I HA 0.347 4.500 4.170 -0.029 0.000 0.300 583 I C -0.152 175.936 176.117 -0.047 0.000 1.017 583 I CA -0.616 60.703 61.300 0.033 0.000 1.098 583 I CB 1.403 39.350 38.000 -0.088 0.000 1.279 583 I HN 0.505 nan 8.210 nan 0.000 0.437 584 L N 5.487 126.707 121.223 -0.004 0.000 2.536 584 L HA 0.241 4.564 4.340 -0.029 0.000 0.242 584 L C 0.418 177.360 176.870 0.119 0.000 1.280 584 L CA -0.381 54.492 54.840 0.055 0.000 1.221 584 L CB -1.269 40.834 42.059 0.073 0.000 1.449 584 L HN 0.584 nan 8.230 nan 0.000 0.405 585 H N 0.386 119.588 119.070 0.220 0.000 2.765 585 H HA -0.116 4.430 4.556 -0.016 0.000 0.385 585 H C 0.933 176.375 175.328 0.190 0.000 1.562 585 H CA 0.596 56.807 56.048 0.272 0.000 1.473 585 H CB 0.592 30.581 29.762 0.379 0.000 1.536 585 H HN 0.419 nan 8.280 nan 0.000 0.610 586 Y N -1.091 119.285 120.300 0.125 0.000 2.395 586 Y HA 0.215 4.740 4.550 -0.042 0.000 0.293 586 Y C 1.835 177.643 175.900 -0.155 0.000 1.123 586 Y CA 0.671 58.766 58.100 -0.010 0.000 1.227 586 Y CB -0.598 37.844 38.460 -0.030 0.000 1.012 586 Y HN 0.412 nan 8.280 nan 0.000 0.552 587 A N 0.096 122.169 122.820 -1.245 0.000 2.238 587 A HA 0.642 4.945 4.320 -0.029 0.000 0.210 587 A C 1.360 178.475 177.584 -0.781 0.000 1.179 587 A CA 0.681 51.728 52.037 -1.649 0.000 0.827 587 A CB -0.768 16.368 19.000 -3.106 0.000 0.856 587 A HN 0.860 nan 8.150 nan 0.000 0.488 588 G N -0.791 107.874 108.800 -0.225 0.000 2.302 588 G HA2 0.288 4.230 3.960 -0.029 0.000 0.264 588 G HA3 0.288 4.230 3.960 -0.029 0.000 0.264 588 G C -1.341 173.710 174.900 0.251 0.000 1.335 588 G CA -0.235 44.918 45.100 0.088 0.000 0.982 588 G HN 0.341 nan 8.290 nan 0.000 0.473 589 K N -0.034 120.493 120.400 0.212 0.000 2.324 589 K HA 0.714 5.017 4.320 -0.029 0.000 0.253 589 K C -1.237 175.426 176.600 0.104 0.000 0.932 589 K CA -0.556 55.815 56.287 0.139 0.000 0.799 589 K CB 1.980 34.516 32.500 0.060 0.000 1.154 589 K HN 0.861 nan 8.250 nan 0.000 0.425 590 V N 2.112 122.034 119.914 0.013 0.000 2.569 590 V HA 0.267 4.370 4.120 -0.029 0.000 0.301 590 V C -0.332 175.530 176.094 -0.387 0.000 1.044 590 V CA -0.988 61.173 62.300 -0.231 0.000 0.874 590 V CB 1.614 33.163 31.823 -0.456 0.000 1.002 590 V HN 0.795 nan 8.190 nan 0.000 0.424 591 T N 4.305 118.692 114.554 -0.279 0.000 3.414 591 T HA 0.408 4.740 4.350 -0.029 0.000 0.304 591 T C -0.215 174.364 174.700 -0.201 0.000 1.241 591 T CA -0.062 61.929 62.100 -0.182 0.000 1.076 591 T CB -0.907 67.918 68.868 -0.071 0.000 1.134 591 T HN 0.434 nan 8.240 nan 0.000 0.759 592 Y N 1.703 121.875 120.300 -0.213 0.000 2.457 592 Y HA 0.148 4.678 4.550 -0.034 0.000 0.341 592 Y C 1.237 177.139 175.900 0.004 0.000 1.240 592 Y CA -0.838 57.215 58.100 -0.078 0.000 1.437 592 Y CB 0.469 38.873 38.460 -0.094 0.000 1.328 592 Y HN 0.462 nan 8.280 nan 0.000 0.588 593 N N 1.532 120.416 118.700 0.308 0.000 2.621 593 N HA 0.279 5.001 4.740 -0.029 0.000 0.237 593 N C 0.218 175.745 175.510 0.029 0.000 0.997 593 N CA -0.096 53.066 53.050 0.187 0.000 0.918 593 N CB 0.988 39.579 38.487 0.173 0.000 1.122 593 N HN 0.881 nan 8.380 nan 0.000 0.510 594 A N 2.603 125.228 122.820 -0.325 0.000 2.245 594 A HA -0.112 4.191 4.320 -0.029 0.000 0.217 594 A C 1.152 178.452 177.584 -0.473 0.000 1.171 594 A CA 0.565 51.921 52.037 -1.134 0.000 0.688 594 A CB -0.423 18.218 19.000 -0.600 0.000 0.781 594 A HN 0.668 nan 8.150 nan 0.000 0.479 595 S N -0.369 115.295 115.700 -0.061 0.000 2.596 595 S HA 0.302 4.755 4.470 -0.029 0.000 0.298 595 S C 0.991 175.746 174.600 0.258 0.000 1.255 595 S CA 0.649 58.912 58.200 0.105 0.000 1.083 595 S CB -0.169 63.102 63.200 0.119 0.000 0.837 595 S HN 2.086 nan 8.310 nan 0.000 0.499 596 A N 3.666 126.613 122.820 0.211 0.000 2.905 596 A HA -0.157 4.146 4.320 -0.029 0.000 0.260 596 A C 0.873 178.629 177.584 0.288 0.000 1.398 596 A CA 1.304 53.480 52.037 0.231 0.000 0.840 596 A CB -2.631 16.511 19.000 0.236 0.000 1.059 596 A HN 0.972 nan 8.150 nan 0.000 0.647 597 W N -0.283 120.977 121.300 -0.066 0.000 2.418 597 W HA 0.100 4.745 4.660 -0.024 0.000 0.319 597 W C 2.171 178.463 176.519 -0.378 0.000 1.183 597 W CA 2.014 59.209 57.345 -0.250 0.000 1.327 597 W CB -1.107 28.146 29.460 -0.345 0.000 1.163 597 W HN 0.612 nan 8.180 nan 0.000 0.479 598 L N -0.769 120.384 121.223 -0.115 0.000 2.353 598 L HA -0.067 4.256 4.340 -0.029 0.000 0.220 598 L C 1.701 178.505 176.870 -0.111 0.000 1.133 598 L CA 1.805 56.521 54.840 -0.207 0.000 0.798 598 L CB -2.238 39.714 42.059 -0.179 0.000 0.922 598 L HN -0.185 nan 8.230 nan 0.000 0.445 599 T N -0.376 114.173 114.554 -0.008 0.000 2.962 599 T HA -0.070 4.263 4.350 -0.029 0.000 0.270 599 T C 1.630 176.394 174.700 0.106 0.000 1.088 599 T CA 1.562 63.711 62.100 0.082 0.000 1.127 599 T CB -0.102 68.876 68.868 0.183 0.000 0.883 599 T HN 0.516 nan 8.240 nan 0.000 0.493 600 K N 0.239 120.646 120.400 0.011 0.000 2.435 600 K HA 0.227 4.530 4.320 -0.029 0.000 0.199 600 K C 1.846 178.416 176.600 -0.051 0.000 1.153 600 K CA -0.148 56.146 56.287 0.010 0.000 0.974 600 K CB 0.061 32.581 32.500 0.033 0.000 0.997 600 K HN -0.070 nan 8.250 nan 0.000 0.547 601 N N 1.359 119.956 118.700 -0.172 0.000 2.430 601 N HA -0.136 4.587 4.740 -0.029 0.000 0.186 601 N C 1.312 176.731 175.510 -0.152 0.000 1.032 601 N CA 1.278 54.211 53.050 -0.197 0.000 0.893 601 N CB 0.166 38.438 38.487 -0.359 0.000 0.957 601 N HN 0.178 nan 8.380 nan 0.000 0.442 602 M N -0.572 118.928 119.600 -0.167 0.000 2.421 602 M HA 0.099 4.562 4.480 -0.029 0.000 0.258 602 M C -0.613 175.635 176.300 -0.085 0.000 1.122 602 M CA 0.253 55.426 55.300 -0.212 0.000 1.078 602 M CB 0.479 32.889 32.600 -0.317 0.000 1.380 602 M HN -0.094 nan 8.290 nan 0.000 0.499 603 D N 0.917 121.304 120.400 -0.021 0.000 2.760 603 D HA -0.096 4.526 4.640 -0.029 0.000 0.244 603 D C -2.445 173.893 176.300 0.063 0.000 1.123 603 D CA 0.169 54.188 54.000 0.032 0.000 0.719 603 D CB -0.386 40.434 40.800 0.033 0.000 1.045 603 D HN 0.176 nan 8.370 nan 0.000 0.426 604 P HA 0.417 nan 4.420 nan 0.000 0.269 604 P C -0.211 177.205 177.300 0.195 0.000 1.215 604 P CA -0.192 63.001 63.100 0.155 0.000 0.780 604 P CB 0.706 32.555 31.700 0.249 0.000 0.898 605 L N -0.851 120.471 121.223 0.165 0.000 2.781 605 L HA 0.389 4.712 4.340 -0.029 0.000 0.256 605 L C -0.867 176.077 176.870 0.123 0.000 0.930 605 L CA -0.872 54.065 54.840 0.161 0.000 0.967 605 L CB 1.410 43.556 42.059 0.145 0.000 1.551 605 L HN 0.114 nan 8.230 nan 0.000 0.445 606 N N 3.108 121.883 118.700 0.125 0.000 2.383 606 N HA -0.077 4.646 4.740 -0.029 0.000 0.295 606 N C 0.265 175.803 175.510 0.047 0.000 1.281 606 N CA 0.697 53.799 53.050 0.086 0.000 1.048 606 N CB 0.403 38.953 38.487 0.104 0.000 1.455 606 N HN 0.893 nan 8.380 nan 0.000 0.488 607 D N 2.171 122.593 120.400 0.037 0.000 2.371 607 D HA -0.145 4.477 4.640 -0.029 0.000 0.221 607 D C 1.067 177.356 176.300 -0.019 0.000 0.986 607 D CA 0.371 54.376 54.000 0.009 0.000 0.899 607 D CB -0.299 40.516 40.800 0.024 0.000 0.902 607 D HN 0.476 nan 8.370 nan 0.000 0.530 608 N N 0.347 119.046 118.700 -0.002 0.000 2.025 608 N HA -0.163 4.560 4.740 -0.029 0.000 0.194 608 N C 1.859 177.357 175.510 -0.021 0.000 1.044 608 N CA 1.656 54.704 53.050 -0.004 0.000 0.851 608 N CB 0.049 38.544 38.487 0.013 0.000 1.036 608 N HN 0.108 nan 8.380 nan 0.000 0.422 609 V N 0.933 120.841 119.914 -0.010 0.000 2.548 609 V HA -0.139 3.964 4.120 -0.029 0.000 0.249 609 V C 2.089 178.029 176.094 -0.256 0.000 1.055 609 V CA 1.778 64.043 62.300 -0.059 0.000 1.065 609 V CB -0.691 31.153 31.823 0.034 0.000 0.681 609 V HN 0.314 nan 8.190 nan 0.000 0.462 610 T N 1.007 115.400 114.554 -0.269 0.000 2.592 610 T HA -0.223 4.110 4.350 -0.029 0.000 0.267 610 T C 1.858 176.366 174.700 -0.320 0.000 1.060 610 T CA 2.540 64.399 62.100 -0.401 0.000 1.167 610 T CB -0.421 68.351 68.868 -0.161 0.000 0.863 610 T HN 0.691 nan 8.240 nan 0.000 0.431 611 S N 1.078 116.682 115.700 -0.160 0.000 2.522 611 S HA 0.100 4.553 4.470 -0.029 0.000 0.227 611 S C 1.824 176.351 174.600 -0.122 0.000 0.986 611 S CA 0.276 58.411 58.200 -0.107 0.000 0.929 611 S CB -0.263 62.904 63.200 -0.055 0.000 0.769 611 S HN 0.426 nan 8.310 nan 0.000 0.529 612 L N 0.557 121.688 121.223 -0.154 0.000 2.313 612 L HA 0.234 4.557 4.340 -0.029 0.000 0.214 612 L C 1.760 178.516 176.870 -0.189 0.000 1.119 612 L CA 1.197 55.959 54.840 -0.130 0.000 0.809 612 L CB -0.137 41.865 42.059 -0.095 0.000 0.933 612 L HN 0.226 nan 8.230 nan 0.000 0.449 613 L N -0.386 120.648 121.223 -0.315 0.000 2.145 613 L HA -0.070 4.253 4.340 -0.029 0.000 0.201 613 L C 2.215 178.949 176.870 -0.225 0.000 1.075 613 L CA 1.263 55.866 54.840 -0.394 0.000 0.773 613 L CB -0.419 41.116 42.059 -0.873 0.000 0.936 613 L HN 0.397 nan 8.230 nan 0.000 0.451 614 N N 0.023 118.615 118.700 -0.179 0.000 2.242 614 N HA -0.283 4.440 4.740 -0.029 0.000 0.191 614 N C 1.078 176.571 175.510 -0.028 0.000 1.005 614 N CA 1.258 54.286 53.050 -0.037 0.000 0.877 614 N CB 0.137 38.612 38.487 -0.020 0.000 0.983 614 N HN 0.267 nan 8.380 nan 0.000 0.439 615 Q N -0.171 119.595 119.800 -0.056 0.000 2.324 615 Q HA 0.210 4.533 4.340 -0.029 0.000 0.373 615 Q C -1.172 174.801 176.000 -0.045 0.000 0.909 615 Q CA -0.463 55.318 55.803 -0.037 0.000 1.135 615 Q CB 0.862 29.580 28.738 -0.033 0.000 1.313 615 Q HN 0.259 nan 8.270 nan 0.000 0.417 616 S N -1.385 114.285 115.700 -0.050 0.000 2.672 616 S HA 0.269 4.722 4.470 -0.029 0.000 0.276 616 S C 1.300 175.889 174.600 -0.018 0.000 1.207 616 S CA 0.078 58.248 58.200 -0.051 0.000 1.002 616 S CB 1.602 64.757 63.200 -0.076 0.000 0.998 616 S HN 0.380 nan 8.310 nan 0.000 0.542 617 S N 0.933 116.624 115.700 -0.015 0.000 2.406 617 S HA -0.075 4.378 4.470 -0.029 0.000 0.228 617 S C 0.672 175.287 174.600 0.025 0.000 1.020 617 S CA 0.874 59.075 58.200 0.002 0.000 0.965 617 S CB -0.677 62.519 63.200 -0.007 0.000 0.798 617 S HN 0.804 nan 8.310 nan 0.000 0.488 618 D N 2.500 122.920 120.400 0.034 0.000 2.482 618 D HA 0.077 4.699 4.640 -0.029 0.000 0.244 618 D C 1.148 177.503 176.300 0.091 0.000 1.242 618 D CA 0.080 54.124 54.000 0.072 0.000 1.097 618 D CB 0.128 40.978 40.800 0.084 0.000 1.109 618 D HN 0.312 nan 8.370 nan 0.000 0.510 619 K N 2.854 123.309 120.400 0.091 0.000 2.071 619 K HA -0.266 4.037 4.320 -0.029 0.000 0.217 619 K C 1.772 178.451 176.600 0.131 0.000 1.054 619 K CA 1.226 57.572 56.287 0.097 0.000 0.937 619 K CB -0.391 32.168 32.500 0.098 0.000 0.719 619 K HN 0.423 nan 8.250 nan 0.000 0.454 620 F N 1.407 121.354 119.950 -0.006 0.000 2.087 620 F HA -0.243 4.266 4.527 -0.030 0.000 0.299 620 F C 2.052 177.824 175.800 -0.047 0.000 1.100 620 F CA 1.627 59.596 58.000 -0.052 0.000 1.226 620 F CB -0.407 38.516 39.000 -0.127 0.000 0.983 620 F HN -0.157 nan 8.300 nan 0.000 0.479 621 V N -0.031 119.879 119.914 -0.007 0.000 2.871 621 V HA -0.109 3.993 4.120 -0.029 0.000 0.256 621 V C 2.504 178.670 176.094 0.120 0.000 1.082 621 V CA 1.174 63.472 62.300 -0.002 0.000 1.105 621 V CB -1.307 30.581 31.823 0.108 0.000 0.713 621 V HN 0.468 nan 8.190 nan 0.000 0.473 622 A N 0.413 123.273 122.820 0.067 0.000 1.898 622 A HA -0.152 4.151 4.320 -0.029 0.000 0.214 622 A C 1.898 179.522 177.584 0.065 0.000 1.183 622 A CA 1.682 53.763 52.037 0.072 0.000 0.622 622 A CB -0.454 18.574 19.000 0.047 0.000 0.824 622 A HN 0.503 nan 8.150 nan 0.000 0.444 623 D N -0.332 120.080 120.400 0.019 0.000 2.269 623 D HA -0.034 4.588 4.640 -0.029 0.000 0.208 623 D C 1.693 177.967 176.300 -0.043 0.000 0.963 623 D CA 0.482 54.487 54.000 0.009 0.000 0.864 623 D CB -0.226 40.604 40.800 0.050 0.000 0.936 623 D HN 0.341 nan 8.370 nan 0.000 0.505 624 L N -1.043 120.093 121.223 -0.144 0.000 2.005 624 L HA -0.092 4.231 4.340 -0.029 0.000 0.207 624 L C 1.120 177.825 176.870 -0.276 0.000 1.072 624 L CA 1.335 55.994 54.840 -0.300 0.000 0.744 624 L CB -0.075 41.696 42.059 -0.481 0.000 0.895 624 L HN 0.123 nan 8.230 nan 0.000 0.433 625 W N -1.284 119.943 121.300 -0.122 0.000 3.123 625 W HA 0.218 4.863 4.660 -0.025 0.000 0.383 625 W C 2.039 178.517 176.519 -0.067 0.000 1.102 625 W CA -0.318 56.974 57.345 -0.088 0.000 1.865 625 W CB -0.350 29.059 29.460 -0.085 0.000 1.111 625 W HN 0.012 nan 8.180 nan 0.000 0.621 626 K N 1.498 121.969 120.400 0.120 0.000 2.127 626 K HA -0.209 4.094 4.320 -0.029 0.000 0.208 626 K C -0.431 176.196 176.600 0.046 0.000 1.047 626 K CA 1.953 58.278 56.287 0.065 0.000 0.927 626 K CB -0.247 32.269 32.500 0.027 0.000 0.716 626 K HN 0.041 nan 8.250 nan 0.000 0.450 627 D N 0.719 121.138 120.400 0.032 0.000 2.493 627 D HA 0.082 4.705 4.640 -0.029 0.000 0.235 627 D C -1.105 175.216 176.300 0.035 0.000 1.117 627 D CA -0.231 53.778 54.000 0.014 0.000 0.930 627 D CB 1.841 42.633 40.800 -0.014 0.000 1.010 627 D HN 0.081 nan 8.370 nan 0.000 0.514 628 V N 1.011 120.959 119.914 0.056 0.000 2.737 628 V HA 0.217 4.320 4.120 -0.029 0.000 0.320 628 V C -0.390 175.727 176.094 0.039 0.000 1.174 628 V CA -0.374 61.974 62.300 0.082 0.000 1.355 628 V CB 0.360 32.266 31.823 0.137 0.000 1.558 628 V HN 0.186 nan 8.190 nan 0.000 0.618 629 D N 1.032 121.435 120.400 0.005 0.000 2.388 629 D HA 0.294 4.917 4.640 -0.029 0.000 0.221 629 D C 1.510 177.781 176.300 -0.049 0.000 1.133 629 D CA 0.138 54.122 54.000 -0.026 0.000 0.831 629 D CB 0.369 41.140 40.800 -0.048 0.000 0.962 629 D HN 0.394 nan 8.370 nan 0.000 0.502 630 R N 0.091 120.584 120.500 -0.011 0.000 2.487 630 R HA 0.145 4.468 4.340 -0.029 0.000 0.272 630 R C 0.302 176.631 176.300 0.047 0.000 0.928 630 R CA -0.290 55.808 56.100 -0.004 0.000 1.077 630 R CB 0.949 31.260 30.300 0.019 0.000 1.265 630 R HN 0.055 nan 8.270 nan 0.000 0.537 631 I N 2.169 122.775 120.570 0.060 0.000 3.045 631 I HA -0.058 4.095 4.170 -0.029 0.000 0.288 631 I C 0.691 176.849 176.117 0.069 0.000 1.238 631 I CA 0.310 61.659 61.300 0.082 0.000 1.396 631 I CB 0.325 38.381 38.000 0.093 0.000 1.355 631 I HN -0.262 nan 8.210 nan 0.000 0.601 632 V N 3.168 123.127 119.914 0.074 0.000 2.407 632 V HA 0.590 4.693 4.120 -0.029 0.000 0.278 632 V C 0.880 177.007 176.094 0.055 0.000 1.037 632 V CA -0.220 62.119 62.300 0.064 0.000 0.900 632 V CB 0.793 32.651 31.823 0.058 0.000 0.983 632 V HN 1.013 nan 8.190 nan 0.000 0.459 633 G N 3.214 112.042 108.800 0.047 0.000 2.801 633 G HA2 0.224 4.167 3.960 -0.029 0.000 0.213 633 G HA3 0.224 4.167 3.960 -0.029 0.000 0.213 633 G C 0.116 175.034 174.900 0.030 0.000 1.052 633 G CA -0.077 45.044 45.100 0.035 0.000 0.868 633 G HN 0.507 nan 8.290 nan 0.000 0.589 657 R N 0.813 121.452 120.500 0.232 0.000 2.664 657 R HA 0.522 4.844 4.340 -0.029 0.000 0.286 657 R C -0.853 175.545 176.300 0.163 0.000 0.967 657 R CA -0.168 55.996 56.100 0.106 0.000 0.933 657 R CB 1.545 31.835 30.300 -0.017 0.000 1.146 657 R HN 0.318 nan 8.270 nan 0.000 0.468 658 T N 1.731 116.383 114.554 0.163 0.000 2.869 658 T HA 0.103 4.436 4.350 -0.029 0.000 0.295 658 T C 1.408 176.171 174.700 0.104 0.000 0.987 658 T CA -0.344 61.819 62.100 0.104 0.000 1.109 658 T CB 0.704 69.653 68.868 0.135 0.000 0.932 658 T HN 0.306 nan 8.240 nan 0.000 0.518 659 V N 5.568 125.535 119.914 0.089 0.000 2.250 659 V HA -0.192 3.910 4.120 -0.029 0.000 0.253 659 V C 2.613 178.826 176.094 0.198 0.000 1.065 659 V CA 2.809 65.190 62.300 0.136 0.000 1.039 659 V CB -1.277 30.637 31.823 0.152 0.000 0.647 659 V HN 1.117 nan 8.190 nan 0.000 0.446 660 G N -1.445 107.488 108.800 0.222 0.000 2.631 660 G HA2 -0.450 3.493 3.960 -0.029 0.000 0.219 660 G HA3 -0.450 3.493 3.960 -0.029 0.000 0.219 660 G C 1.469 176.493 174.900 0.206 0.000 1.214 660 G CA 1.454 46.708 45.100 0.257 0.000 0.785 660 G HN 0.553 nan 8.290 nan 0.000 0.596 661 Q N -0.431 119.454 119.800 0.142 0.000 2.172 661 Q HA 0.105 4.428 4.340 -0.029 0.000 0.200 661 Q C 2.359 178.420 176.000 0.102 0.000 0.964 661 Q CA 0.838 56.699 55.803 0.096 0.000 0.855 661 Q CB -0.393 28.386 28.738 0.068 0.000 0.918 661 Q HN 0.378 nan 8.270 nan 0.000 0.444 662 L N -0.201 121.099 121.223 0.129 0.000 2.079 662 L HA -0.160 4.163 4.340 -0.029 0.000 0.210 662 L C 1.968 178.953 176.870 0.191 0.000 1.081 662 L CA 1.760 56.678 54.840 0.130 0.000 0.752 662 L CB -0.775 41.363 42.059 0.132 0.000 0.896 662 L HN 0.417 nan 8.230 nan 0.000 0.433 663 Y N 0.607 120.958 120.300 0.086 0.000 2.109 663 Y HA -0.195 4.329 4.550 -0.043 0.000 0.281 663 Y C 2.509 178.478 175.900 0.116 0.000 1.113 663 Y CA 1.925 60.089 58.100 0.108 0.000 1.098 663 Y CB -0.774 37.748 38.460 0.104 0.000 0.996 663 Y HN 0.096 nan 8.280 nan 0.000 0.485 664 K N 1.135 121.441 120.400 -0.157 0.000 2.520 664 K HA -0.249 4.054 4.320 -0.029 0.000 0.197 664 K C 1.586 178.124 176.600 -0.104 0.000 1.044 664 K CA 1.694 57.845 56.287 -0.227 0.000 0.938 664 K CB -0.263 32.200 32.500 -0.061 0.000 0.767 664 K HN 0.652 nan 8.250 nan 0.000 0.481 665 E N -0.095 120.088 120.200 -0.028 0.000 2.400 665 E HA -0.115 4.218 4.350 -0.029 0.000 0.195 665 E C 1.806 178.407 176.600 0.001 0.000 1.012 665 E CA 0.256 56.654 56.400 -0.005 0.000 0.875 665 E CB 0.288 30.001 29.700 0.022 0.000 0.859 665 E HN 0.500 nan 8.360 nan 0.000 0.498 666 Q N -0.237 119.577 119.800 0.024 0.000 2.431 666 Q HA 0.030 4.352 4.340 -0.029 0.000 0.244 666 Q C 1.655 177.679 176.000 0.040 0.000 0.880 666 Q CA 0.005 55.853 55.803 0.074 0.000 0.954 666 Q CB 0.059 28.904 28.738 0.179 0.000 1.105 666 Q HN 0.225 nan 8.270 nan 0.000 0.558 667 L N 1.801 122.962 121.223 -0.103 0.000 2.650 667 L HA 0.117 4.439 4.340 -0.029 0.000 0.235 667 L C 1.054 177.795 176.870 -0.216 0.000 1.149 667 L CA 1.362 56.047 54.840 -0.258 0.000 0.887 667 L CB 0.138 41.769 42.059 -0.713 0.000 1.021 667 L HN 0.450 nan 8.230 nan 0.000 0.441 668 T N -5.171 109.302 114.554 -0.135 0.000 3.000 668 T HA 0.032 4.365 4.350 -0.029 0.000 0.248 668 T C 1.808 176.459 174.700 -0.083 0.000 1.034 668 T CA 0.063 62.102 62.100 -0.101 0.000 1.060 668 T CB 0.046 68.873 68.868 -0.069 0.000 0.983 668 T HN 0.127 nan 8.240 nan 0.000 0.482 669 K N 0.519 120.878 120.400 -0.068 0.000 2.002 669 K HA -0.009 4.294 4.320 -0.029 0.000 0.209 669 K C 2.050 178.585 176.600 -0.108 0.000 1.048 669 K CA 0.926 57.172 56.287 -0.067 0.000 0.930 669 K CB -0.383 32.092 32.500 -0.041 0.000 0.714 669 K HN 0.094 nan 8.250 nan 0.000 0.438 670 L N 1.270 122.411 121.223 -0.137 0.000 1.952 670 L HA -0.262 4.061 4.340 -0.029 0.000 0.231 670 L C 2.219 178.992 176.870 -0.162 0.000 1.088 670 L CA 1.976 56.682 54.840 -0.224 0.000 0.802 670 L CB -0.720 41.179 42.059 -0.266 0.000 0.903 670 L HN 0.276 nan 8.230 nan 0.000 0.439 671 M N -1.175 118.347 119.600 -0.130 0.000 2.617 671 M HA -0.186 4.276 4.480 -0.029 0.000 0.258 671 M C 1.675 177.942 176.300 -0.056 0.000 1.067 671 M CA 1.517 56.767 55.300 -0.084 0.000 1.057 671 M CB -0.461 32.083 32.600 -0.094 0.000 1.397 671 M HN 0.370 nan 8.290 nan 0.000 0.499 672 T N -1.941 112.575 114.554 -0.062 0.000 2.939 672 T HA -0.050 4.283 4.350 -0.029 0.000 0.254 672 T C 1.823 176.512 174.700 -0.019 0.000 1.041 672 T CA 1.642 63.718 62.100 -0.039 0.000 1.142 672 T CB -0.126 68.715 68.868 -0.044 0.000 0.874 672 T HN 0.558 nan 8.240 nan 0.000 0.452 673 T N 1.690 116.225 114.554 -0.030 0.000 2.937 673 T HA 0.109 4.442 4.350 -0.029 0.000 0.260 673 T C 2.041 176.791 174.700 0.083 0.000 1.051 673 T CA 0.388 62.503 62.100 0.026 0.000 1.141 673 T CB -0.471 68.393 68.868 -0.007 0.000 0.879 673 T HN 0.196 nan 8.240 nan 0.000 0.459 674 L N 0.282 121.536 121.223 0.051 0.000 1.990 674 L HA -0.077 4.246 4.340 -0.029 0.000 0.213 674 L C 3.126 180.021 176.870 0.040 0.000 1.072 674 L CA 1.914 56.798 54.840 0.074 0.000 0.755 674 L CB -0.628 41.457 42.059 0.043 0.000 0.889 674 L HN 0.249 nan 8.230 nan 0.000 0.432 675 R N -0.022 120.493 120.500 0.024 0.000 2.293 675 R HA -0.095 4.228 4.340 -0.029 0.000 0.219 675 R C 1.462 177.774 176.300 0.020 0.000 1.091 675 R CA 0.646 56.760 56.100 0.022 0.000 1.004 675 R CB -0.143 30.172 30.300 0.025 0.000 0.865 675 R HN 0.382 nan 8.270 nan 0.000 0.469 676 N N -0.345 118.376 118.700 0.036 0.000 2.236 676 N HA -0.015 4.708 4.740 -0.029 0.000 0.196 676 N C 0.088 175.627 175.510 0.049 0.000 1.114 676 N CA 0.562 53.639 53.050 0.045 0.000 0.859 676 N CB 0.855 39.381 38.487 0.064 0.000 0.982 676 N HN 0.266 nan 8.380 nan 0.000 0.493 677 T N -2.782 111.790 114.554 0.031 0.000 2.762 677 T HA 0.350 4.683 4.350 -0.029 0.000 0.272 677 T C -0.470 174.192 174.700 -0.062 0.000 0.982 677 T CA -0.824 61.260 62.100 -0.026 0.000 1.013 677 T CB 1.696 70.548 68.868 -0.027 0.000 1.309 677 T HN -0.100 nan 8.240 nan 0.000 0.572 678 N N 2.124 120.761 118.700 -0.105 0.000 2.469 678 N HA 0.404 5.127 4.740 -0.029 0.000 0.253 678 N C -2.648 172.771 175.510 -0.152 0.000 0.970 678 N CA -2.209 50.775 53.050 -0.111 0.000 0.940 678 N CB 1.365 39.790 38.487 -0.103 0.000 1.128 678 N HN 0.416 nan 8.380 nan 0.000 0.503 679 P HA 0.063 nan 4.420 nan 0.000 0.271 679 P C -1.401 175.680 177.300 -0.366 0.000 1.218 679 P CA -0.032 62.847 63.100 -0.368 0.000 0.780 679 P CB 0.765 32.186 31.700 -0.464 0.000 0.901 680 N N 2.375 120.795 118.700 -0.467 0.000 2.653 680 N HA 0.201 4.923 4.740 -0.029 0.000 0.261 680 N C -1.004 174.351 175.510 -0.259 0.000 1.216 680 N CA -0.260 52.642 53.050 -0.248 0.000 0.784 680 N CB 0.541 38.939 38.487 -0.148 0.000 1.327 680 N HN 0.258 nan 8.380 nan 0.000 0.539 681 F N 0.722 120.715 119.950 0.071 0.000 2.412 681 F HA 0.246 4.743 4.527 -0.050 0.000 0.348 681 F C 1.038 176.865 175.800 0.046 0.000 1.102 681 F CA -0.527 57.519 58.000 0.077 0.000 1.196 681 F CB 0.988 40.089 39.000 0.169 0.000 1.144 681 F HN 0.023 nan 8.300 nan 0.000 0.541 682 V N 4.785 124.801 119.914 0.171 0.000 2.266 682 V HA 0.264 4.366 4.120 -0.029 0.000 0.266 682 V C -0.016 176.090 176.094 0.020 0.000 1.036 682 V CA -0.940 61.394 62.300 0.056 0.000 0.828 682 V CB 0.428 32.244 31.823 -0.012 0.000 1.081 682 V HN 0.619 nan 8.190 nan 0.000 0.449 683 R N 2.117 122.635 120.500 0.030 0.000 2.853 683 R HA 0.168 4.491 4.340 -0.029 0.000 0.238 683 R C -0.123 176.115 176.300 -0.104 0.000 1.538 683 R CA -0.200 55.872 56.100 -0.048 0.000 1.166 683 R CB -0.294 29.982 30.300 -0.039 0.000 1.201 683 R HN 0.624 nan 8.270 nan 0.000 0.606 684 C N 3.540 122.763 119.300 -0.129 0.000 2.632 684 C HA 0.390 4.832 4.460 -0.029 0.000 0.415 684 C C 0.995 175.878 174.990 -0.178 0.000 1.332 684 C CA -0.792 58.115 59.018 -0.184 0.000 1.874 684 C CB -0.566 27.065 27.740 -0.181 0.000 2.596 684 C HN 0.625 nan 8.230 nan 0.000 0.590 685 I N 4.250 124.690 120.570 -0.217 0.000 2.418 685 I HA 0.275 4.428 4.170 -0.029 0.000 0.287 685 I C 0.119 176.076 176.117 -0.267 0.000 1.008 685 I CA -0.474 60.696 61.300 -0.215 0.000 1.104 685 I CB 1.183 39.058 38.000 -0.208 0.000 1.264 685 I HN 0.572 nan 8.210 nan 0.000 0.438 686 I N 9.310 129.737 120.570 -0.238 0.000 2.692 686 I HA 0.083 4.235 4.170 -0.029 0.000 0.284 686 I C -1.319 174.632 176.117 -0.278 0.000 1.159 686 I CA -1.226 59.917 61.300 -0.261 0.000 1.423 686 I CB 1.681 39.550 38.000 -0.218 0.000 1.380 686 I HN 0.412 nan 8.210 nan 0.000 0.580 687 P HA 0.015 nan 4.420 nan 0.000 0.216 687 P C -0.848 176.369 177.300 -0.138 0.000 1.151 687 P CA 0.774 63.717 63.100 -0.262 0.000 0.863 687 P CB 0.416 31.956 31.700 -0.267 0.000 0.790 688 N N -3.076 115.583 118.700 -0.068 0.000 2.823 688 N HA 0.151 4.874 4.740 -0.029 0.000 0.251 688 N C -0.531 174.921 175.510 -0.097 0.000 1.392 688 N CA -0.759 52.247 53.050 -0.075 0.000 0.864 688 N CB -0.170 38.333 38.487 0.027 0.000 1.481 688 N HN -0.238 nan 8.380 nan 0.000 0.508 689 H N -1.138 117.951 119.070 0.032 0.000 2.526 689 H HA 0.249 4.787 4.556 -0.031 0.000 0.274 689 H C 0.234 175.549 175.328 -0.021 0.000 0.999 689 H CA -0.029 56.024 56.048 0.007 0.000 1.157 689 H CB 0.539 30.295 29.762 -0.010 0.000 1.407 689 H HN 0.569 nan 8.280 nan 0.000 0.568 690 E N 0.758 120.991 120.200 0.054 0.000 2.478 690 E HA -0.040 4.293 4.350 -0.029 0.000 0.194 690 E C 0.402 176.938 176.600 -0.107 0.000 1.045 690 E CA 0.091 56.486 56.400 -0.009 0.000 0.868 690 E CB 0.352 30.049 29.700 -0.005 0.000 0.885 690 E HN 0.294 nan 8.360 nan 0.000 0.505 691 K N 0.403 120.688 120.400 -0.192 0.000 3.274 691 K HA -0.189 4.114 4.320 -0.029 0.000 0.300 691 K C -0.148 176.069 176.600 -0.638 0.000 1.230 691 K CA 0.603 56.593 56.287 -0.495 0.000 0.884 691 K CB -0.673 31.672 32.500 -0.259 0.000 1.242 691 K HN 0.086 nan 8.250 nan 0.000 0.467 692 R N 0.005 120.273 120.500 -0.388 0.000 2.393 692 R HA 0.491 4.814 4.340 -0.029 0.000 0.310 692 R C 0.151 176.366 176.300 -0.141 0.000 0.968 692 R CA 0.128 56.089 56.100 -0.233 0.000 0.867 692 R CB 1.606 31.854 30.300 -0.087 0.000 1.124 692 R HN 0.200 nan 8.270 nan 0.000 0.450 693 A N 0.855 123.638 122.820 -0.061 0.000 2.259 693 A HA 0.529 4.832 4.320 -0.029 0.000 0.278 693 A C 1.135 178.772 177.584 0.089 0.000 1.107 693 A CA 0.478 52.577 52.037 0.104 0.000 0.828 693 A CB 0.110 19.179 19.000 0.116 0.000 1.111 693 A HN 0.872 nan 8.150 nan 0.000 0.498 694 G N -0.903 107.937 108.800 0.066 0.000 2.257 694 G HA2 -0.287 3.656 3.960 -0.029 0.000 0.267 694 G HA3 -0.287 3.656 3.960 -0.029 0.000 0.267 694 G C 0.412 175.446 174.900 0.224 0.000 0.984 694 G CA 1.144 46.288 45.100 0.073 0.000 0.626 694 G HN 1.020 nan 8.290 nan 0.000 0.540 695 K N -0.014 120.504 120.400 0.196 0.000 2.159 695 K HA 0.725 5.028 4.320 -0.029 0.000 0.266 695 K C -1.003 175.728 176.600 0.218 0.000 0.975 695 K CA -1.003 55.428 56.287 0.239 0.000 0.865 695 K CB 1.128 33.717 32.500 0.148 0.000 1.087 695 K HN 0.371 nan 8.250 nan 0.000 0.446 696 L N 4.394 125.761 121.223 0.241 0.000 2.427 696 L HA 0.274 4.597 4.340 -0.029 0.000 0.264 696 L C -0.908 176.020 176.870 0.096 0.000 0.989 696 L CA -0.558 54.340 54.840 0.097 0.000 0.865 696 L CB 1.361 43.417 42.059 -0.004 0.000 1.209 696 L HN 0.720 nan 8.230 nan 0.000 0.430 697 D N 3.430 123.847 120.400 0.029 0.000 2.487 697 D HA 0.109 4.732 4.640 -0.029 0.000 0.243 697 D C 0.822 177.127 176.300 0.008 0.000 1.154 697 D CA 0.866 54.885 54.000 0.032 0.000 0.876 697 D CB 1.949 42.755 40.800 0.011 0.000 1.161 697 D HN 0.748 nan 8.370 nan 0.000 0.478 698 A N 4.899 127.723 122.820 0.007 0.000 1.904 698 A HA -0.217 4.086 4.320 -0.029 0.000 0.207 698 A C 1.776 179.295 177.584 -0.108 0.000 1.231 698 A CA 1.707 53.689 52.037 -0.092 0.000 0.655 698 A CB -1.100 17.761 19.000 -0.232 0.000 0.875 698 A HN 0.859 nan 8.150 nan 0.000 0.478 699 H N -0.335 118.728 119.070 -0.011 0.000 2.289 699 H HA -0.184 4.354 4.556 -0.030 0.000 0.294 699 H C 1.981 177.299 175.328 -0.016 0.000 1.095 699 H CA 1.894 57.929 56.048 -0.022 0.000 1.256 699 H CB -0.548 29.195 29.762 -0.032 0.000 1.359 699 H HN 0.465 nan 8.280 nan 0.000 0.487 700 L N 0.200 121.494 121.223 0.119 0.000 2.010 700 L HA -0.262 4.061 4.340 -0.029 0.000 0.219 700 L C 2.177 179.037 176.870 -0.017 0.000 1.077 700 L CA 1.677 56.544 54.840 0.045 0.000 0.773 700 L CB -0.619 41.452 42.059 0.020 0.000 0.892 700 L HN 0.170 nan 8.230 nan 0.000 0.436 701 V N -0.383 119.504 119.914 -0.045 0.000 2.407 701 V HA -0.259 3.843 4.120 -0.029 0.000 0.248 701 V C 2.434 178.497 176.094 -0.052 0.000 1.055 701 V CA 1.778 64.027 62.300 -0.085 0.000 1.049 701 V CB -0.293 31.464 31.823 -0.110 0.000 0.662 701 V HN 0.532 nan 8.190 nan 0.000 0.455 702 L N -0.137 121.077 121.223 -0.015 0.000 2.027 702 L HA -0.097 4.226 4.340 -0.029 0.000 0.206 702 L C 2.434 179.319 176.870 0.023 0.000 1.074 702 L CA 2.005 56.857 54.840 0.019 0.000 0.745 702 L CB -0.707 41.375 42.059 0.039 0.000 0.898 702 L HN 0.243 nan 8.230 nan 0.000 0.433 703 E N -0.507 119.706 120.200 0.022 0.000 2.107 703 E HA -0.201 4.132 4.350 -0.029 0.000 0.191 703 E C 2.103 178.678 176.600 -0.041 0.000 0.982 703 E CA 1.079 57.481 56.400 0.004 0.000 0.809 703 E CB -0.052 29.652 29.700 0.007 0.000 0.756 703 E HN 0.639 nan 8.360 nan 0.000 0.459 704 Q N 0.046 119.811 119.800 -0.059 0.000 2.135 704 Q HA -0.159 4.164 4.340 -0.029 0.000 0.204 704 Q C 2.477 178.425 176.000 -0.086 0.000 0.981 704 Q CA 1.237 56.982 55.803 -0.097 0.000 0.856 704 Q CB -0.141 28.534 28.738 -0.105 0.000 0.902 704 Q HN 0.262 nan 8.270 nan 0.000 0.425 705 L N -0.049 121.142 121.223 -0.054 0.000 2.083 705 L HA -0.199 4.124 4.340 -0.029 0.000 0.209 705 L C 2.425 179.289 176.870 -0.009 0.000 1.083 705 L CA 1.325 56.147 54.840 -0.029 0.000 0.752 705 L CB -0.125 41.928 42.059 -0.010 0.000 0.899 705 L HN 0.101 nan 8.230 nan 0.000 0.433 706 R N -0.788 119.708 120.500 -0.007 0.000 2.075 706 R HA -0.081 4.242 4.340 -0.029 0.000 0.226 706 R C 2.109 178.409 176.300 -0.001 0.000 1.114 706 R CA 1.409 57.516 56.100 0.010 0.000 0.972 706 R CB -0.508 29.802 30.300 0.017 0.000 0.869 706 R HN 0.541 nan 8.270 nan 0.000 0.437 707 C N 0.270 119.541 119.300 -0.048 0.000 2.454 707 C HA 0.313 4.755 4.460 -0.029 0.000 0.321 707 C C 0.819 175.770 174.990 -0.064 0.000 1.299 707 C CA -0.521 58.448 59.018 -0.081 0.000 1.683 707 C CB -0.987 26.621 27.740 -0.221 0.000 1.772 707 C HN 0.292 nan 8.230 nan 0.000 0.596 708 N N 0.041 118.704 118.700 -0.063 0.000 2.118 708 N HA 0.174 4.896 4.740 -0.029 0.000 0.226 708 N C 1.186 176.581 175.510 -0.191 0.000 1.305 708 N CA 0.897 53.855 53.050 -0.154 0.000 0.890 708 N CB 0.876 39.249 38.487 -0.190 0.000 1.118 708 N HN 0.694 nan 8.380 nan 0.000 0.511 709 G N 1.598 110.403 108.800 0.009 0.000 2.393 709 G HA2 -0.257 3.686 3.960 -0.029 0.000 0.299 709 G HA3 -0.257 3.686 3.960 -0.029 0.000 0.299 709 G C 1.033 176.030 174.900 0.161 0.000 0.990 709 G CA 0.759 45.955 45.100 0.159 0.000 1.118 709 G HN 0.153 nan 8.290 nan 0.000 0.513 710 V N 1.059 121.050 119.914 0.129 0.000 2.231 710 V HA -0.125 3.978 4.120 -0.029 0.000 0.240 710 V C 2.847 179.163 176.094 0.371 0.000 1.039 710 V CA 1.623 64.110 62.300 0.312 0.000 0.998 710 V CB -0.703 31.243 31.823 0.205 0.000 0.639 710 V HN 0.428 nan 8.190 nan 0.000 0.451 711 L N 0.249 121.595 121.223 0.205 0.000 2.034 711 L HA -0.262 4.061 4.340 -0.029 0.000 0.217 711 L C 2.632 179.629 176.870 0.212 0.000 1.077 711 L CA 2.308 57.243 54.840 0.160 0.000 0.769 711 L CB -1.587 40.522 42.059 0.083 0.000 0.890 711 L HN 0.472 nan 8.230 nan 0.000 0.435 712 E N -0.369 119.955 120.200 0.206 0.000 2.110 712 E HA -0.117 4.215 4.350 -0.029 0.000 0.193 712 E C 2.240 178.929 176.600 0.149 0.000 0.988 712 E CA 1.024 57.560 56.400 0.227 0.000 0.804 712 E CB -0.674 29.020 29.700 -0.011 0.000 0.745 712 E HN 0.513 nan 8.360 nan 0.000 0.458 713 G N 0.896 109.906 108.800 0.351 0.000 2.418 713 G HA2 -0.226 3.717 3.960 -0.029 0.000 0.217 713 G HA3 -0.226 3.717 3.960 -0.029 0.000 0.217 713 G C 1.600 176.842 174.900 0.570 0.000 1.158 713 G CA 0.747 46.156 45.100 0.514 0.000 0.771 713 G HN 0.215 nan 8.290 nan 0.000 0.545 714 I N -0.226 120.630 120.570 0.477 0.000 2.394 714 I HA -0.074 4.079 4.170 -0.029 0.000 0.251 714 I C 2.875 179.111 176.117 0.198 0.000 1.136 714 I CA 0.607 62.043 61.300 0.228 0.000 1.425 714 I CB -0.235 37.838 38.000 0.120 0.000 1.079 714 I HN 0.106 nan 8.210 nan 0.000 0.425 715 R N 1.158 121.808 120.500 0.251 0.000 2.070 715 R HA -0.169 4.154 4.340 -0.029 0.000 0.233 715 R C 2.327 178.812 176.300 0.307 0.000 1.137 715 R CA 1.766 58.039 56.100 0.288 0.000 0.945 715 R CB -0.224 30.366 30.300 0.483 0.000 0.845 715 R HN 0.232 nan 8.270 nan 0.000 0.430 716 I N -0.086 120.654 120.570 0.284 0.000 2.226 716 I HA -0.332 3.821 4.170 -0.029 0.000 0.245 716 I C 2.473 178.695 176.117 0.174 0.000 1.100 716 I CA 0.954 62.396 61.300 0.236 0.000 1.374 716 I CB -0.451 37.582 38.000 0.054 0.000 1.057 716 I HN 0.238 nan 8.210 nan 0.000 0.413 717 C N 0.904 120.302 119.300 0.163 0.000 2.413 717 C HA -0.164 4.279 4.460 -0.029 0.000 0.276 717 C C 2.897 177.934 174.990 0.079 0.000 1.236 717 C CA 1.593 60.687 59.018 0.126 0.000 1.735 717 C CB -1.296 26.523 27.740 0.131 0.000 2.031 717 C HN 0.584 nan 8.230 nan 0.000 0.474 718 R N -0.009 120.538 120.500 0.079 0.000 2.265 718 R HA 0.084 4.407 4.340 -0.029 0.000 0.194 718 R C 1.865 178.168 176.300 0.005 0.000 0.931 718 R CA 0.577 56.699 56.100 0.036 0.000 1.032 718 R CB -0.372 29.955 30.300 0.045 0.000 0.980 718 R HN 0.467 nan 8.270 nan 0.000 0.497 719 Q N 0.991 120.831 119.800 0.067 0.000 2.033 719 Q HA 0.103 4.426 4.340 -0.029 0.000 0.196 719 Q C 1.058 177.058 176.000 0.000 0.000 0.970 719 Q CA 1.596 57.463 55.803 0.106 0.000 0.828 719 Q CB 0.051 28.955 28.738 0.277 0.000 0.895 719 Q HN 0.437 nan 8.270 nan 0.000 0.440 720 G N -0.572 108.170 108.800 -0.097 0.000 2.606 720 G HA2 0.387 4.330 3.960 -0.029 0.000 0.262 720 G HA3 0.387 4.330 3.960 -0.029 0.000 0.262 720 G C -0.905 173.667 174.900 -0.548 0.000 1.394 720 G CA -0.571 44.214 45.100 -0.525 0.000 1.044 720 G HN 0.092 nan 8.290 nan 0.000 0.553 721 F N 0.492 120.369 119.950 -0.122 0.000 2.366 721 F HA 0.345 4.854 4.527 -0.029 0.000 0.328 721 F C -1.610 174.334 175.800 0.239 0.000 1.180 721 F CA -2.395 55.681 58.000 0.127 0.000 1.232 721 F CB 1.769 40.889 39.000 0.201 0.000 1.513 721 F HN 0.125 nan 8.300 nan 0.000 0.540 722 P HA -0.098 nan 4.420 nan 0.000 0.261 722 P C -0.315 177.062 177.300 0.128 0.000 1.288 722 P CA 0.841 64.049 63.100 0.179 0.000 0.751 722 P CB 0.016 31.791 31.700 0.125 0.000 1.103 723 N N 0.705 119.506 118.700 0.169 0.000 2.264 723 N HA 0.333 5.056 4.740 -0.029 0.000 0.288 723 N C -0.602 174.895 175.510 -0.021 0.000 1.094 723 N CA -0.519 52.591 53.050 0.101 0.000 0.817 723 N CB 2.548 41.156 38.487 0.201 0.000 1.604 723 N HN -0.008 nan 8.380 nan 0.000 0.473 724 R N 1.226 121.641 120.500 -0.141 0.000 2.739 724 R HA 0.702 5.025 4.340 -0.029 0.000 0.271 724 R C -1.289 174.966 176.300 -0.074 0.000 1.010 724 R CA -0.842 55.052 56.100 -0.342 0.000 0.897 724 R CB 1.875 31.617 30.300 -0.930 0.000 1.236 724 R HN 0.522 nan 8.270 nan 0.000 0.466 725 I N 1.103 121.680 120.570 0.012 0.000 2.715 725 I HA 0.147 4.299 4.170 -0.029 0.000 0.288 725 I C -1.107 175.096 176.117 0.143 0.000 1.371 725 I CA -1.000 60.366 61.300 0.110 0.000 1.056 725 I CB 2.219 40.373 38.000 0.256 0.000 1.339 725 I HN 0.581 nan 8.210 nan 0.000 0.425 726 V N 8.282 128.240 119.914 0.073 0.000 2.763 726 V HA 0.034 4.137 4.120 -0.029 0.000 0.306 726 V C 0.910 177.148 176.094 0.241 0.000 1.059 726 V CA 0.509 62.831 62.300 0.038 0.000 1.138 726 V CB 0.601 32.409 31.823 -0.025 0.000 0.940 726 V HN 0.759 nan 8.190 nan 0.000 0.489 727 F N 3.492 123.485 119.950 0.072 0.000 2.052 727 F HA -0.287 4.223 4.527 -0.029 0.000 0.297 727 F C 2.368 178.250 175.800 0.137 0.000 1.166 727 F CA 2.508 60.571 58.000 0.104 0.000 1.218 727 F CB -1.803 37.237 39.000 0.066 0.000 0.943 727 F HN 0.775 nan 8.300 nan 0.000 0.521 728 Q N 0.534 120.522 119.800 0.313 0.000 2.094 728 Q HA -0.329 3.993 4.340 -0.029 0.000 0.217 728 Q C 1.783 177.845 176.000 0.104 0.000 1.046 728 Q CA 2.701 58.603 55.803 0.165 0.000 0.911 728 Q CB -0.877 27.920 28.738 0.099 0.000 1.038 728 Q HN 0.384 nan 8.270 nan 0.000 0.422 729 E N -0.670 119.581 120.200 0.085 0.000 2.077 729 E HA -0.080 4.252 4.350 -0.029 0.000 0.193 729 E C 1.656 178.219 176.600 -0.062 0.000 0.989 729 E CA 1.195 57.595 56.400 -0.001 0.000 0.800 729 E CB -0.710 28.986 29.700 -0.006 0.000 0.746 729 E HN 0.551 nan 8.360 nan 0.000 0.452 730 F N 1.620 121.519 119.950 -0.085 0.000 2.095 730 F HA -0.238 4.271 4.527 -0.029 0.000 0.298 730 F C 2.295 177.987 175.800 -0.180 0.000 1.104 730 F CA 2.022 59.929 58.000 -0.154 0.000 1.232 730 F CB -0.091 38.965 39.000 0.093 0.000 0.987 730 F HN -0.032 nan 8.300 nan 0.000 0.475 731 R N 0.684 121.198 120.500 0.023 0.000 2.148 731 R HA -0.126 4.197 4.340 -0.029 0.000 0.223 731 R C 1.989 178.189 176.300 -0.166 0.000 1.088 731 R CA 1.667 57.723 56.100 -0.073 0.000 0.985 731 R CB -1.013 29.348 30.300 0.102 0.000 0.880 731 R HN 0.426 nan 8.270 nan 0.000 0.451 732 Q N 0.065 119.775 119.800 -0.151 0.000 2.119 732 Q HA -0.064 4.258 4.340 -0.029 0.000 0.201 732 Q C 1.875 177.745 176.000 -0.218 0.000 0.972 732 Q CA 1.686 57.400 55.803 -0.148 0.000 0.847 732 Q CB -0.029 28.644 28.738 -0.108 0.000 0.903 732 Q HN 0.365 nan 8.270 nan 0.000 0.433 733 R N -1.179 119.094 120.500 -0.378 0.000 2.039 733 R HA 0.073 4.396 4.340 -0.029 0.000 0.218 733 R C 0.020 176.132 176.300 -0.313 0.000 1.220 733 R CA 0.830 56.671 56.100 -0.431 0.000 0.993 733 R CB -0.122 29.713 30.300 -0.775 0.000 0.881 733 R HN 0.172 nan 8.270 nan 0.000 0.450 734 Y N 1.455 121.517 120.300 -0.397 0.000 2.623 734 Y HA 0.240 4.772 4.550 -0.029 0.000 0.341 734 Y C 0.673 176.349 175.900 -0.372 0.000 1.292 734 Y CA -0.376 57.464 58.100 -0.434 0.000 1.840 734 Y CB -0.236 37.828 38.460 -0.659 0.000 1.865 734 Y HN 0.398 nan 8.280 nan 0.000 0.440 735 E N 0.795 120.931 120.200 -0.107 0.000 2.489 735 E HA 0.098 4.431 4.350 -0.029 0.000 0.208 735 E C 1.645 178.207 176.600 -0.064 0.000 0.814 735 E CA 0.108 56.452 56.400 -0.093 0.000 1.348 735 E CB 0.126 29.765 29.700 -0.102 0.000 1.334 735 E HN 0.566 nan 8.360 nan 0.000 0.672 736 I N 1.483 122.017 120.570 -0.060 0.000 2.700 736 I HA -0.131 4.021 4.170 -0.029 0.000 0.261 736 I C 1.114 177.203 176.117 -0.047 0.000 1.219 736 I CA 0.853 62.123 61.300 -0.050 0.000 1.463 736 I CB 0.248 38.219 38.000 -0.047 0.000 1.092 736 I HN 0.270 nan 8.210 nan 0.000 0.452 737 L N 0.439 121.631 121.223 -0.052 0.000 2.585 737 L HA 0.248 4.571 4.340 -0.029 0.000 0.226 737 L C 0.744 177.587 176.870 -0.045 0.000 1.113 737 L CA 0.203 55.006 54.840 -0.062 0.000 0.876 737 L CB -0.048 41.951 42.059 -0.101 0.000 1.072 737 L HN 0.209 nan 8.230 nan 0.000 0.468 738 A N -0.550 122.247 122.820 -0.038 0.000 3.307 738 A HA 0.645 4.947 4.320 -0.029 0.000 0.289 738 A C 0.772 178.340 177.584 -0.027 0.000 1.138 738 A CA 0.147 52.171 52.037 -0.022 0.000 0.860 738 A CB 0.398 19.393 19.000 -0.008 0.000 1.318 738 A HN 0.116 nan 8.150 nan 0.000 0.551 739 A N 1.104 123.907 122.820 -0.027 0.000 1.854 739 A HA 0.007 4.310 4.320 -0.029 0.000 0.214 739 A C 0.932 178.501 177.584 -0.025 0.000 1.192 739 A CA 0.974 52.992 52.037 -0.031 0.000 0.611 739 A CB -0.260 18.722 19.000 -0.029 0.000 0.832 739 A HN 0.556 nan 8.150 nan 0.000 0.442 740 N N 0.281 118.971 118.700 -0.017 0.000 3.124 740 N HA 0.496 5.219 4.740 -0.029 0.000 0.284 740 N C 0.247 175.753 175.510 -0.006 0.000 1.209 740 N CA 0.736 53.779 53.050 -0.012 0.000 1.149 740 N CB 0.922 39.405 38.487 -0.007 0.000 1.434 740 N HN 0.493 nan 8.380 nan 0.000 0.529 741 A N 0.861 123.676 122.820 -0.009 0.000 1.808 741 A HA 0.258 4.561 4.320 -0.029 0.000 0.190 741 A C 0.260 177.840 177.584 -0.006 0.000 1.822 741 A CA 0.066 52.102 52.037 -0.002 0.000 1.090 741 A CB 0.386 19.389 19.000 0.005 0.000 1.004 741 A HN 0.225 nan 8.150 nan 0.000 0.602 742 I N 3.023 123.583 120.570 -0.017 0.000 2.416 742 I HA 0.275 4.427 4.170 -0.029 0.000 0.288 742 I C -1.782 174.315 176.117 -0.032 0.000 1.051 742 I CA -1.785 59.499 61.300 -0.025 0.000 1.375 742 I CB -0.244 37.731 38.000 -0.042 0.000 1.407 742 I HN 0.224 nan 8.210 nan 0.000 0.516 743 P HA 0.089 nan 4.420 nan 0.000 0.286 743 P C 0.689 177.963 177.300 -0.043 0.000 1.278 743 P CA -0.280 62.808 63.100 -0.020 0.000 0.785 743 P CB 0.890 32.588 31.700 -0.004 0.000 1.269 744 K N -1.243 119.139 120.400 -0.030 0.000 2.314 744 K HA 0.125 4.428 4.320 -0.029 0.000 0.198 744 K C 1.149 177.716 176.600 -0.056 0.000 1.045 744 K CA 0.288 56.547 56.287 -0.048 0.000 0.988 744 K CB -0.430 32.065 32.500 -0.008 0.000 0.783 744 K HN 0.568 nan 8.250 nan 0.000 0.484 745 G N 0.082 108.887 108.800 0.008 0.000 2.539 745 G HA2 0.199 4.141 3.960 -0.029 0.000 0.258 745 G HA3 0.199 4.141 3.960 -0.029 0.000 0.258 745 G C -0.785 174.148 174.900 0.054 0.000 1.202 745 G CA -0.580 44.585 45.100 0.108 0.000 0.851 745 G HN 0.064 nan 8.290 nan 0.000 0.556 746 F N 1.660 121.618 119.950 0.012 0.000 2.464 746 F HA 0.361 4.870 4.527 -0.029 0.000 0.353 746 F C 0.568 176.381 175.800 0.021 0.000 1.191 746 F CA -0.404 57.606 58.000 0.016 0.000 1.147 746 F CB 0.504 39.513 39.000 0.015 0.000 1.294 746 F HN -0.040 nan 8.300 nan 0.000 0.583 747 M N 0.546 120.225 119.600 0.132 0.000 2.849 747 M HA 0.245 4.708 4.480 -0.029 0.000 0.299 747 M C -0.133 176.223 176.300 0.093 0.000 1.223 747 M CA -1.457 53.902 55.300 0.099 0.000 0.856 747 M CB 0.624 33.258 32.600 0.058 0.000 1.680 747 M HN 0.226 nan 8.290 nan 0.000 0.506 748 D N 0.937 121.387 120.400 0.083 0.000 2.586 748 D HA 0.014 4.637 4.640 -0.029 0.000 0.234 748 D C 1.218 177.575 176.300 0.095 0.000 1.132 748 D CA 0.742 54.801 54.000 0.098 0.000 0.860 748 D CB 0.757 41.608 40.800 0.084 0.000 1.159 748 D HN 0.746 nan 8.370 nan 0.000 0.490 749 G N 4.400 113.303 108.800 0.172 0.000 2.479 749 G HA2 -0.280 3.663 3.960 -0.029 0.000 0.220 749 G HA3 -0.280 3.663 3.960 -0.029 0.000 0.220 749 G C 1.389 176.284 174.900 -0.008 0.000 1.115 749 G CA 0.633 45.858 45.100 0.207 0.000 0.757 749 G HN 0.524 nan 8.290 nan 0.000 0.560 750 K N -0.038 120.358 120.400 -0.006 0.000 2.021 750 K HA -0.048 4.254 4.320 -0.029 0.000 0.205 750 K C 2.415 178.800 176.600 -0.359 0.000 1.047 750 K CA 1.166 57.147 56.287 -0.510 0.000 0.943 750 K CB -0.286 32.280 32.500 0.110 0.000 0.725 750 K HN 0.356 nan 8.250 nan 0.000 0.439 751 Q N 0.286 120.012 119.800 -0.124 0.000 2.230 751 Q HA -0.083 4.240 4.340 -0.029 0.000 0.202 751 Q C 1.659 177.616 176.000 -0.073 0.000 0.963 751 Q CA 1.203 56.958 55.803 -0.079 0.000 0.866 751 Q CB 0.068 28.795 28.738 -0.019 0.000 0.931 751 Q HN 0.359 nan 8.270 nan 0.000 0.452 752 A N 0.551 123.331 122.820 -0.066 0.000 1.897 752 A HA -0.163 4.140 4.320 -0.029 0.000 0.215 752 A C 2.437 180.007 177.584 -0.023 0.000 1.181 752 A CA 1.334 53.352 52.037 -0.031 0.000 0.620 752 A CB -1.283 17.713 19.000 -0.007 0.000 0.821 752 A HN 0.693 nan 8.150 nan 0.000 0.443 753 C N -0.842 118.404 119.300 -0.090 0.000 2.435 753 C HA 0.018 4.461 4.460 -0.029 0.000 0.279 753 C C 2.395 177.334 174.990 -0.086 0.000 1.321 753 C CA 0.972 59.969 59.018 -0.036 0.000 1.752 753 C CB -1.423 26.119 27.740 -0.331 0.000 1.959 753 C HN 0.503 nan 8.230 nan 0.000 0.500 754 I N 0.599 121.066 120.570 -0.171 0.000 2.226 754 I HA -0.102 4.051 4.170 -0.029 0.000 0.245 754 I C 2.361 178.459 176.117 -0.032 0.000 1.100 754 I CA 1.333 62.560 61.300 -0.122 0.000 1.374 754 I CB -0.347 37.590 38.000 -0.104 0.000 1.057 754 I HN 0.237 nan 8.210 nan 0.000 0.413 755 L N -0.581 120.634 121.223 -0.013 0.000 2.131 755 L HA -0.183 4.140 4.340 -0.029 0.000 0.210 755 L C 2.345 179.239 176.870 0.041 0.000 1.092 755 L CA 1.785 56.634 54.840 0.014 0.000 0.759 755 L CB -0.743 41.320 42.059 0.006 0.000 0.903 755 L HN 0.231 nan 8.230 nan 0.000 0.435 756 M N -1.570 118.075 119.600 0.075 0.000 2.077 756 M HA -0.208 4.254 4.480 -0.029 0.000 0.261 756 M C 2.385 178.770 176.300 0.143 0.000 1.070 756 M CA 1.829 57.203 55.300 0.122 0.000 1.125 756 M CB -0.619 32.116 32.600 0.225 0.000 1.339 756 M HN 0.139 nan 8.290 nan 0.000 0.409 757 I N 0.630 121.294 120.570 0.157 0.000 2.264 757 I HA -0.323 3.829 4.170 -0.029 0.000 0.248 757 I C 2.730 178.890 176.117 0.071 0.000 1.111 757 I CA 1.331 62.681 61.300 0.085 0.000 1.382 757 I CB -0.431 37.455 38.000 -0.191 0.000 1.060 757 I HN 0.337 nan 8.210 nan 0.000 0.418 758 K N 1.626 122.064 120.400 0.063 0.000 2.148 758 K HA -0.165 4.137 4.320 -0.029 0.000 0.204 758 K C 2.091 178.734 176.600 0.071 0.000 1.050 758 K CA 1.510 57.842 56.287 0.075 0.000 0.942 758 K CB -0.087 32.446 32.500 0.055 0.000 0.724 758 K HN 0.285 nan 8.250 nan 0.000 0.446 759 A N 1.651 124.508 122.820 0.062 0.000 1.898 759 A HA -0.072 4.230 4.320 -0.029 0.000 0.216 759 A C 1.975 179.594 177.584 0.058 0.000 1.181 759 A CA 1.256 53.324 52.037 0.051 0.000 0.620 759 A CB -0.474 18.550 19.000 0.039 0.000 0.819 759 A HN 0.348 nan 8.150 nan 0.000 0.442 760 L N -0.743 120.523 121.223 0.073 0.000 2.645 760 L HA 0.202 4.525 4.340 -0.029 0.000 0.235 760 L C 0.075 177.008 176.870 0.105 0.000 1.150 760 L CA 0.192 55.080 54.840 0.081 0.000 0.911 760 L CB -0.962 41.147 42.059 0.084 0.000 1.077 760 L HN 0.363 nan 8.230 nan 0.000 0.438 761 E N 0.699 120.960 120.200 0.103 0.000 2.238 761 E HA -0.214 4.118 4.350 -0.029 0.000 0.219 761 E C -0.171 176.524 176.600 0.158 0.000 1.275 761 E CA 0.172 56.641 56.400 0.115 0.000 0.714 761 E CB -1.048 28.705 29.700 0.089 0.000 1.154 761 E HN 0.426 nan 8.360 nan 0.000 0.363 762 L N 1.043 122.391 121.223 0.209 0.000 2.499 762 L HA 0.027 4.350 4.340 -0.029 0.000 0.273 762 L C 0.842 177.936 176.870 0.374 0.000 1.195 762 L CA 0.270 55.298 54.840 0.315 0.000 0.882 762 L CB 0.256 42.523 42.059 0.346 0.000 1.133 762 L HN 0.207 nan 8.230 nan 0.000 0.483 763 D N 6.248 126.819 120.400 0.284 0.000 2.382 763 D HA 0.053 4.676 4.640 -0.029 0.000 0.259 763 D C -1.511 174.837 176.300 0.080 0.000 1.224 763 D CA -1.147 52.955 54.000 0.170 0.000 0.894 763 D CB 0.945 41.815 40.800 0.118 0.000 1.127 763 D HN 0.237 nan 8.370 nan 0.000 0.487 764 P HA -0.117 nan 4.420 nan 0.000 0.280 764 P C -0.189 176.935 177.300 -0.294 0.000 1.359 764 P CA 0.775 63.674 63.100 -0.333 0.000 0.744 764 P CB -0.078 31.537 31.700 -0.142 0.000 1.236 765 N N -1.058 117.558 118.700 -0.140 0.000 2.113 765 N HA 0.130 4.853 4.740 -0.029 0.000 0.223 765 N C 1.277 176.847 175.510 0.100 0.000 1.310 765 N CA -0.108 52.939 53.050 -0.006 0.000 0.896 765 N CB 0.528 39.027 38.487 0.020 0.000 1.097 765 N HN 0.053 nan 8.380 nan 0.000 0.507 766 L N 0.531 121.831 121.223 0.129 0.000 2.249 766 L HA 0.100 4.423 4.340 -0.029 0.000 0.207 766 L C 0.472 177.620 176.870 0.464 0.000 1.090 766 L CA 0.555 55.557 54.840 0.271 0.000 0.802 766 L CB -0.228 42.028 42.059 0.328 0.000 0.947 766 L HN 0.175 nan 8.230 nan 0.000 0.453 767 Y N -1.419 119.045 120.300 0.273 0.000 2.549 767 Y HA 0.780 5.312 4.550 -0.029 0.000 0.339 767 Y C -0.421 175.394 175.900 -0.141 0.000 1.053 767 Y CA -1.689 56.427 58.100 0.026 0.000 1.105 767 Y CB 1.063 39.248 38.460 -0.458 0.000 1.258 767 Y HN -0.254 nan 8.280 nan 0.000 0.478 768 R N 2.850 123.129 120.500 -0.368 0.000 2.502 768 R HA 0.458 4.781 4.340 -0.029 0.000 0.300 768 R C -1.620 174.521 176.300 -0.266 0.000 0.984 768 R CA -1.041 54.694 56.100 -0.607 0.000 0.882 768 R CB 0.790 30.217 30.300 -1.455 0.000 1.180 768 R HN 0.831 nan 8.270 nan 0.000 0.444 769 I N 2.754 123.246 120.570 -0.130 0.000 2.519 769 I HA 0.446 4.599 4.170 -0.029 0.000 0.287 769 I C 1.046 177.141 176.117 -0.037 0.000 1.047 769 I CA 0.343 61.631 61.300 -0.021 0.000 1.381 769 I CB 1.152 39.164 38.000 0.021 0.000 1.417 769 I HN 0.751 nan 8.210 nan 0.000 0.540 770 G N 3.954 112.813 108.800 0.099 0.000 3.222 770 G HA2 0.307 4.250 3.960 -0.029 0.000 0.263 770 G HA3 0.307 4.250 3.960 -0.029 0.000 0.263 770 G C 0.201 175.187 174.900 0.143 0.000 1.312 770 G CA -0.028 45.102 45.100 0.050 0.000 0.934 770 G HN 0.429 nan 8.290 nan 0.000 0.577 771 Q N -0.102 119.716 119.800 0.030 0.000 1.967 771 Q HA -0.016 4.307 4.340 -0.029 0.000 0.202 771 Q C 1.407 177.289 176.000 -0.197 0.000 0.985 771 Q CA 2.288 58.084 55.803 -0.012 0.000 0.839 771 Q CB -0.245 28.466 28.738 -0.045 0.000 0.906 771 Q HN 0.607 nan 8.270 nan 0.000 0.423 772 S N -0.467 114.945 115.700 -0.479 0.000 2.440 772 S HA 0.530 4.983 4.470 -0.029 0.000 0.142 772 S C -1.211 172.854 174.600 -0.892 0.000 1.578 772 S CA -0.641 56.859 58.200 -1.166 0.000 1.260 772 S CB -0.151 62.705 63.200 -0.573 0.000 1.407 772 S HN 0.295 nan 8.310 nan 0.000 0.392 773 K N 2.538 122.456 120.400 -0.804 0.000 3.035 773 K HA 0.196 4.499 4.320 -0.029 0.000 0.330 773 K C -2.010 174.805 176.600 0.359 0.000 1.164 773 K CA -0.580 55.684 56.287 -0.039 0.000 0.919 773 K CB 0.414 32.920 32.500 0.010 0.000 1.368 773 K HN 0.469 nan 8.250 nan 0.000 0.385 774 I N 2.440 123.177 120.570 0.278 0.000 2.530 774 I HA 0.411 4.564 4.170 -0.029 0.000 0.297 774 I C -0.593 175.604 176.117 0.132 0.000 1.011 774 I CA -0.824 60.560 61.300 0.141 0.000 1.107 774 I CB 1.141 38.986 38.000 -0.258 0.000 1.285 774 I HN 0.444 nan 8.210 nan 0.000 0.436 775 F N 4.927 124.765 119.950 -0.187 0.000 2.319 775 F HA 0.427 4.937 4.527 -0.029 0.000 0.356 775 F C 0.035 175.859 175.800 0.040 0.000 1.100 775 F CA -0.673 57.307 58.000 -0.034 0.000 1.220 775 F CB 0.103 39.021 39.000 -0.137 0.000 1.506 775 F HN 0.186 nan 8.300 nan 0.000 0.512 776 F N 1.051 121.206 119.950 0.341 0.000 2.406 776 F HA 0.424 4.933 4.527 -0.030 0.000 0.327 776 F C 1.193 177.238 175.800 0.408 0.000 1.153 776 F CA -0.391 57.843 58.000 0.390 0.000 1.218 776 F CB 0.546 39.710 39.000 0.274 0.000 1.215 776 F HN 0.202 nan 8.300 nan 0.000 0.570 777 R N 0.049 120.882 120.500 0.555 0.000 2.574 777 R HA 0.305 4.628 4.340 -0.029 0.000 0.266 777 R C -0.519 175.936 176.300 0.259 0.000 1.157 777 R CA -0.355 55.928 56.100 0.306 0.000 1.187 777 R CB 0.278 30.696 30.300 0.196 0.000 1.179 777 R HN 0.741 nan 8.270 nan 0.000 0.600 778 T N -0.197 114.455 114.554 0.163 0.000 2.940 778 T HA 0.283 4.616 4.350 -0.029 0.000 0.309 778 T C 1.223 176.012 174.700 0.148 0.000 1.056 778 T CA 0.089 62.276 62.100 0.145 0.000 1.137 778 T CB 0.645 69.579 68.868 0.110 0.000 0.976 778 T HN 0.792 nan 8.240 nan 0.000 0.547 779 G N 1.254 110.138 108.800 0.140 0.000 2.238 779 G HA2 -0.333 3.610 3.960 -0.029 0.000 0.270 779 G HA3 -0.333 3.610 3.960 -0.029 0.000 0.270 779 G C 0.932 175.916 174.900 0.139 0.000 0.977 779 G CA 0.445 45.628 45.100 0.138 0.000 0.639 779 G HN 0.792 nan 8.290 nan 0.000 0.544 780 V N -0.100 119.914 119.914 0.166 0.000 3.078 780 V HA -0.000 4.102 4.120 -0.029 0.000 0.265 780 V C 2.457 178.591 176.094 0.066 0.000 1.122 780 V CA 1.710 64.123 62.300 0.188 0.000 1.141 780 V CB -0.077 31.952 31.823 0.343 0.000 0.735 780 V HN 0.374 nan 8.190 nan 0.000 0.498 781 L N -0.333 120.901 121.223 0.019 0.000 2.357 781 L HA 0.342 4.665 4.340 -0.029 0.000 0.211 781 L C 2.465 179.292 176.870 -0.072 0.000 1.075 781 L CA 1.658 56.434 54.840 -0.105 0.000 0.830 781 L CB -1.084 40.964 42.059 -0.019 0.000 0.996 781 L HN 0.256 nan 8.230 nan 0.000 0.467 782 A N -1.067 121.772 122.820 0.031 0.000 1.933 782 A HA -0.287 4.016 4.320 -0.029 0.000 0.218 782 A C 2.219 179.840 177.584 0.062 0.000 1.175 782 A CA 1.853 53.930 52.037 0.066 0.000 0.628 782 A CB -0.757 18.331 19.000 0.146 0.000 0.814 782 A HN 0.569 nan 8.150 nan 0.000 0.444 783 H N -0.218 118.830 119.070 -0.036 0.000 2.321 783 H HA -0.051 4.488 4.556 -0.029 0.000 0.300 783 H C 1.771 177.002 175.328 -0.162 0.000 1.087 783 H CA 1.691 57.702 56.048 -0.061 0.000 1.319 783 H CB -0.182 29.556 29.762 -0.040 0.000 1.379 783 H HN 0.242 nan 8.280 nan 0.000 0.501 784 L N 0.641 121.617 121.223 -0.412 0.000 2.083 784 L HA -0.128 4.195 4.340 -0.029 0.000 0.209 784 L C 2.433 178.878 176.870 -0.709 0.000 1.083 784 L CA 1.832 56.217 54.840 -0.759 0.000 0.752 784 L CB -1.249 40.086 42.059 -1.206 0.000 0.899 784 L HN 0.385 nan 8.230 nan 0.000 0.433 785 E N 0.272 120.205 120.200 -0.445 0.000 2.051 785 E HA -0.220 4.113 4.350 -0.029 0.000 0.192 785 E C 2.154 178.694 176.600 -0.100 0.000 0.991 785 E CA 1.420 57.731 56.400 -0.149 0.000 0.799 785 E CB 0.049 29.736 29.700 -0.021 0.000 0.748 785 E HN 0.402 nan 8.360 nan 0.000 0.449 786 E N -0.325 119.814 120.200 -0.101 0.000 2.072 786 E HA -0.146 4.187 4.350 -0.029 0.000 0.190 786 E C 1.959 178.493 176.600 -0.110 0.000 0.982 786 E CA 0.821 57.189 56.400 -0.053 0.000 0.803 786 E CB 0.063 29.771 29.700 0.013 0.000 0.755 786 E HN 0.237 nan 8.360 nan 0.000 0.453 787 E N 0.347 120.407 120.200 -0.233 0.000 2.077 787 E HA -0.215 4.118 4.350 -0.029 0.000 0.193 787 E C 2.129 178.636 176.600 -0.155 0.000 0.989 787 E CA 0.762 57.020 56.400 -0.237 0.000 0.800 787 E CB -0.139 29.319 29.700 -0.403 0.000 0.746 787 E HN 0.176 nan 8.360 nan 0.000 0.452 788 R N 0.958 121.364 120.500 -0.157 0.000 2.092 788 R HA -0.151 4.171 4.340 -0.029 0.000 0.231 788 R C 1.460 177.734 176.300 -0.043 0.000 1.119 788 R CA 1.746 57.799 56.100 -0.078 0.000 0.970 788 R CB 0.004 30.296 30.300 -0.013 0.000 0.864 788 R HN -0.015 nan 8.270 nan 0.000 0.440 789 D N 0.470 120.848 120.400 -0.037 0.000 2.144 789 D HA -0.130 4.492 4.640 -0.029 0.000 0.200 789 D C 1.787 178.077 176.300 -0.017 0.000 0.978 789 D CA 0.840 54.831 54.000 -0.016 0.000 0.833 789 D CB -0.046 40.752 40.800 -0.003 0.000 0.961 789 D HN 0.127 nan 8.370 nan 0.000 0.470 790 L N 0.600 121.806 121.223 -0.028 0.000 2.046 790 L HA -0.083 4.240 4.340 -0.029 0.000 0.208 790 L C 1.743 178.600 176.870 -0.023 0.000 1.077 790 L CA 1.484 56.310 54.840 -0.024 0.000 0.747 790 L CB -0.288 41.751 42.059 -0.034 0.000 0.896 790 L HN -0.082 nan 8.230 nan 0.000 0.432 791 K N -0.296 120.084 120.400 -0.033 0.000 2.630 791 K HA 0.039 4.342 4.320 -0.029 0.000 0.204 791 K C 0.571 177.158 176.600 -0.023 0.000 1.024 791 K CA 0.488 56.757 56.287 -0.030 0.000 1.157 791 K CB -0.029 32.447 32.500 -0.041 0.000 0.899 791 K HN 0.438 nan 8.250 nan 0.000 0.501 792 I N -6.087 114.474 120.570 -0.015 0.000 5.008 792 I HA -0.046 4.107 4.170 -0.029 0.000 0.374 792 I C 1.472 177.592 176.117 0.004 0.000 1.184 792 I CA -0.308 60.986 61.300 -0.010 0.000 1.455 792 I CB 0.027 38.019 38.000 -0.015 0.000 1.902 792 I HN -0.177 nan 8.210 nan 0.000 0.629 793 T N 0.589 115.147 114.554 0.006 0.000 2.565 793 T HA -0.270 4.063 4.350 -0.029 0.000 0.265 793 T C 1.301 176.014 174.700 0.023 0.000 1.082 793 T CA 2.501 64.610 62.100 0.015 0.000 1.173 793 T CB -1.179 67.695 68.868 0.009 0.000 0.864 793 T HN 0.427 nan 8.240 nan 0.000 0.425 794 D N 1.708 122.117 120.400 0.016 0.000 2.230 794 D HA -0.144 4.478 4.640 -0.029 0.000 0.189 794 D C 2.293 178.613 176.300 0.034 0.000 1.006 794 D CA 1.569 55.581 54.000 0.019 0.000 0.853 794 D CB -1.142 39.664 40.800 0.011 0.000 0.959 794 D HN 0.370 nan 8.370 nan 0.000 0.449 795 V N 1.005 120.937 119.914 0.030 0.000 2.324 795 V HA -0.251 3.851 4.120 -0.029 0.000 0.250 795 V C 2.368 178.517 176.094 0.091 0.000 1.060 795 V CA 1.263 63.589 62.300 0.043 0.000 1.042 795 V CB -0.545 31.285 31.823 0.011 0.000 0.650 795 V HN 0.259 nan 8.190 nan 0.000 0.450 796 I N -0.575 120.043 120.570 0.080 0.000 2.394 796 I HA -0.162 3.990 4.170 -0.029 0.000 0.251 796 I C 2.321 178.508 176.117 0.117 0.000 1.136 796 I CA 1.831 63.204 61.300 0.123 0.000 1.425 796 I CB -0.666 37.380 38.000 0.076 0.000 1.079 796 I HN 0.310 nan 8.210 nan 0.000 0.425 797 I N 0.893 121.505 120.570 0.070 0.000 2.286 797 I HA -0.179 3.974 4.170 -0.029 0.000 0.245 797 I C 2.779 178.921 176.117 0.042 0.000 1.104 797 I CA 1.093 62.417 61.300 0.041 0.000 1.397 797 I CB -0.328 37.687 38.000 0.025 0.000 1.072 797 I HN 0.078 nan 8.210 nan 0.000 0.417 798 A N 0.719 123.579 122.820 0.067 0.000 1.858 798 A HA -0.271 4.032 4.320 -0.029 0.000 0.216 798 A C 2.244 179.890 177.584 0.102 0.000 1.190 798 A CA 1.694 53.773 52.037 0.071 0.000 0.617 798 A CB -1.040 18.006 19.000 0.077 0.000 0.827 798 A HN 0.459 nan 8.150 nan 0.000 0.443 799 F N 0.496 120.443 119.950 -0.005 0.000 2.234 799 F HA -0.098 4.412 4.527 -0.029 0.000 0.299 799 F C 2.312 178.110 175.800 -0.003 0.000 1.087 799 F CA 1.873 59.869 58.000 -0.008 0.000 1.340 799 F CB -0.510 38.481 39.000 -0.015 0.000 1.031 799 F HN 0.322 nan 8.300 nan 0.000 0.500 800 Q N 0.010 119.733 119.800 -0.128 0.000 2.096 800 Q HA -0.177 4.146 4.340 -0.029 0.000 0.204 800 Q C 2.418 178.297 176.000 -0.201 0.000 0.982 800 Q CA 1.781 57.460 55.803 -0.206 0.000 0.850 800 Q CB -0.405 28.302 28.738 -0.051 0.000 0.901 800 Q HN 0.527 nan 8.270 nan 0.000 0.422 801 A N 0.243 122.995 122.820 -0.114 0.000 1.930 801 A HA -0.195 4.108 4.320 -0.029 0.000 0.217 801 A C 1.949 179.478 177.584 -0.092 0.000 1.175 801 A CA 1.083 53.075 52.037 -0.076 0.000 0.627 801 A CB -0.314 18.668 19.000 -0.031 0.000 0.815 801 A HN 0.302 nan 8.150 nan 0.000 0.443 802 Q N -0.651 119.074 119.800 -0.125 0.000 2.079 802 Q HA -0.164 4.159 4.340 -0.029 0.000 0.200 802 Q C 2.385 178.292 176.000 -0.154 0.000 0.974 802 Q CA 1.688 57.432 55.803 -0.098 0.000 0.840 802 Q CB -0.557 28.158 28.738 -0.038 0.000 0.898 802 Q HN 0.751 nan 8.270 nan 0.000 0.430 803 C N 0.347 119.420 119.300 -0.378 0.000 2.440 803 C HA -0.073 4.369 4.460 -0.029 0.000 0.278 803 C C 2.724 177.655 174.990 -0.097 0.000 1.295 803 C CA 0.374 59.189 59.018 -0.338 0.000 1.738 803 C CB -0.847 26.543 27.740 -0.583 0.000 1.987 803 C HN 0.471 nan 8.230 nan 0.000 0.492 804 R N 0.767 121.205 120.500 -0.103 0.000 2.073 804 R HA -0.056 4.267 4.340 -0.029 0.000 0.234 804 R C 2.533 178.832 176.300 -0.002 0.000 1.134 804 R CA 1.675 57.750 56.100 -0.042 0.000 0.952 804 R CB -0.815 29.455 30.300 -0.051 0.000 0.850 804 R HN 0.613 nan 8.270 nan 0.000 0.433 805 G N 0.280 109.080 108.800 0.001 0.000 2.446 805 G HA2 -0.342 3.601 3.960 -0.029 0.000 0.217 805 G HA3 -0.342 3.601 3.960 -0.029 0.000 0.217 805 G C 1.256 176.189 174.900 0.055 0.000 1.168 805 G CA 0.805 45.917 45.100 0.019 0.000 0.771 805 G HN 0.331 nan 8.290 nan 0.000 0.551 806 Y N 0.590 120.867 120.300 -0.038 0.000 2.145 806 Y HA -0.041 4.491 4.550 -0.029 0.000 0.286 806 Y C 2.614 178.511 175.900 -0.004 0.000 1.145 806 Y CA 1.620 59.711 58.100 -0.017 0.000 1.148 806 Y CB -0.301 38.142 38.460 -0.028 0.000 0.981 806 Y HN 0.147 nan 8.280 nan 0.000 0.507 807 L N -0.316 120.984 121.223 0.129 0.000 2.017 807 L HA -0.198 4.125 4.340 -0.029 0.000 0.208 807 L C 2.630 179.503 176.870 0.005 0.000 1.073 807 L CA 1.804 56.681 54.840 0.062 0.000 0.745 807 L CB -0.901 41.194 42.059 0.060 0.000 0.894 807 L HN 0.312 nan 8.230 nan 0.000 0.432 808 A N 0.094 122.917 122.820 0.004 0.000 1.865 808 A HA -0.221 4.082 4.320 -0.029 0.000 0.217 808 A C 2.244 179.844 177.584 0.028 0.000 1.191 808 A CA 1.903 53.941 52.037 0.002 0.000 0.623 808 A CB -0.595 18.392 19.000 -0.022 0.000 0.826 808 A HN 0.503 nan 8.150 nan 0.000 0.444 809 R N -0.568 119.932 120.500 -0.000 0.000 2.189 809 R HA 0.007 4.330 4.340 -0.029 0.000 0.218 809 R C 1.495 177.810 176.300 0.025 0.000 1.074 809 R CA 0.982 57.111 56.100 0.048 0.000 0.991 809 R CB -0.387 29.904 30.300 -0.015 0.000 0.883 809 R HN 0.363 nan 8.270 nan 0.000 0.457 810 K N 1.173 121.513 120.400 -0.100 0.000 2.098 810 K HA 0.120 4.423 4.320 -0.029 0.000 0.203 810 K C 2.165 178.729 176.600 -0.059 0.000 1.051 810 K CA 1.170 57.364 56.287 -0.154 0.000 0.957 810 K CB -0.142 32.189 32.500 -0.283 0.000 0.738 810 K HN 0.159 nan 8.250 nan 0.000 0.447 811 A N 1.003 123.821 122.820 -0.003 0.000 1.898 811 A HA -0.147 4.156 4.320 -0.029 0.000 0.216 811 A C 1.987 179.593 177.584 0.037 0.000 1.181 811 A CA 1.095 53.142 52.037 0.017 0.000 0.620 811 A CB -0.699 18.322 19.000 0.036 0.000 0.819 811 A HN 0.338 nan 8.150 nan 0.000 0.442 812 F N 1.155 121.074 119.950 -0.052 0.000 2.333 812 F HA 0.029 4.539 4.527 -0.029 0.000 0.300 812 F C 2.155 177.928 175.800 -0.044 0.000 1.083 812 F CA 0.880 58.854 58.000 -0.044 0.000 1.395 812 F CB -0.250 38.724 39.000 -0.044 0.000 1.056 812 F HN 0.213 nan 8.300 nan 0.000 0.529 813 A N 0.900 123.517 122.820 -0.338 0.000 2.016 813 A HA -0.097 4.206 4.320 -0.029 0.000 0.217 813 A C 2.256 179.663 177.584 -0.294 0.000 1.162 813 A CA 1.337 53.131 52.037 -0.405 0.000 0.662 813 A CB -0.651 18.236 19.000 -0.188 0.000 0.812 813 A HN 0.571 nan 8.150 nan 0.000 0.450 814 K N -0.829 119.456 120.400 -0.192 0.000 2.116 814 K HA -0.021 4.281 4.320 -0.029 0.000 0.203 814 K C 2.014 178.536 176.600 -0.130 0.000 1.052 814 K CA 1.219 57.429 56.287 -0.128 0.000 0.952 814 K CB -0.182 32.273 32.500 -0.075 0.000 0.729 814 K HN 0.149 nan 8.250 nan 0.000 0.446 815 R N 1.035 121.451 120.500 -0.141 0.000 2.092 815 R HA 0.021 4.343 4.340 -0.029 0.000 0.231 815 R C 2.341 178.555 176.300 -0.144 0.000 1.119 815 R CA 1.538 57.575 56.100 -0.105 0.000 0.970 815 R CB -0.170 30.099 30.300 -0.052 0.000 0.864 815 R HN 0.386 nan 8.270 nan 0.000 0.440 816 Q N -0.254 119.384 119.800 -0.270 0.000 2.170 816 Q HA -0.249 4.073 4.340 -0.029 0.000 0.203 816 Q C 1.892 177.792 176.000 -0.168 0.000 0.976 816 Q CA 1.853 57.491 55.803 -0.275 0.000 0.858 816 Q CB 0.065 28.512 28.738 -0.486 0.000 0.907 816 Q HN 0.451 nan 8.270 nan 0.000 0.433 817 Q N 0.173 119.881 119.800 -0.154 0.000 2.123 817 Q HA -0.183 4.140 4.340 -0.029 0.000 0.199 817 Q C 1.716 177.672 176.000 -0.072 0.000 0.966 817 Q CA 1.461 57.202 55.803 -0.103 0.000 0.845 817 Q CB -0.463 28.218 28.738 -0.094 0.000 0.907 817 Q HN 0.357 nan 8.270 nan 0.000 0.439 818 Q N 0.995 120.754 119.800 -0.069 0.000 2.050 818 Q HA -0.131 4.192 4.340 -0.029 0.000 0.202 818 Q C 2.257 178.234 176.000 -0.040 0.000 0.980 818 Q CA 1.732 57.507 55.803 -0.047 0.000 0.840 818 Q CB -0.701 28.012 28.738 -0.041 0.000 0.898 818 Q HN 0.574 nan 8.270 nan 0.000 0.424 819 L N 0.083 121.279 121.223 -0.044 0.000 2.013 819 L HA -0.001 4.322 4.340 -0.029 0.000 0.212 819 L C 2.301 179.152 176.870 -0.031 0.000 1.073 819 L CA 2.467 57.287 54.840 -0.033 0.000 0.753 819 L CB -1.439 40.600 42.059 -0.034 0.000 0.890 819 L HN 0.123 nan 8.230 nan 0.000 0.432 820 G N -0.717 108.059 108.800 -0.039 0.000 2.443 820 G HA2 -0.103 3.840 3.960 -0.029 0.000 0.219 820 G HA3 -0.103 3.840 3.960 -0.029 0.000 0.219 820 G C 0.931 175.814 174.900 -0.028 0.000 1.131 820 G CA 0.653 45.732 45.100 -0.034 0.000 0.775 820 G HN 0.492 nan 8.290 nan 0.000 0.547 821 S N 0.000 115.683 115.700 -0.029 0.000 2.498 821 S HA 0.000 4.453 4.470 -0.029 0.000 0.327 821 S CA 0.000 58.186 58.200 -0.024 0.000 1.107 821 S CB 0.000 63.185 63.200 -0.025 0.000 0.593 821 S HN 0.000 nan 8.310 nan 0.000 0.517