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 1br1_1_G 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 QYLAVVASSH DATA SEQUENCE KGKXXXXXXQ GPSFSYGELE 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 0.000 177.550 177.584 -0.056 0.000 1.274 2 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 2 A CB 0.000 18.980 19.000 -0.033 0.000 0.831 3 Q N 0.321 120.075 119.800 -0.076 0.000 2.378 3 Q HA 0.455 4.795 4.340 0.001 0.000 0.276 3 Q C -0.063 175.869 176.000 -0.113 0.000 1.083 3 Q CA -0.654 55.093 55.803 -0.093 0.000 0.856 3 Q CB 1.201 29.876 28.738 -0.105 0.000 1.383 3 Q HN 0.481 nan 8.270 nan 0.000 0.458 4 K N 1.172 121.496 120.400 -0.127 0.000 2.443 4 K HA -0.034 4.286 4.320 0.001 0.000 0.268 4 K C -2.118 174.385 176.600 -0.162 0.000 0.971 4 K CA -0.223 55.981 56.287 -0.139 0.000 0.902 4 K CB -0.140 32.262 32.500 -0.163 0.000 0.950 4 K HN 0.320 nan 8.250 nan 0.000 0.525 5 P HA 0.288 nan 4.420 nan 0.000 0.293 5 P C -1.310 175.887 177.300 -0.172 0.000 1.291 5 P CA -0.472 62.540 63.100 -0.146 0.000 0.867 5 P CB 0.814 32.452 31.700 -0.105 0.000 1.074 6 L N 1.065 122.185 121.223 -0.172 0.000 2.296 6 L HA 0.450 4.791 4.340 0.001 0.000 0.286 6 L C 0.956 177.761 176.870 -0.107 0.000 1.023 6 L CA -0.880 53.860 54.840 -0.167 0.000 0.812 6 L CB 1.533 43.485 42.059 -0.178 0.000 1.223 6 L HN 0.400 nan 8.230 nan 0.000 0.421 7 S N 0.718 116.371 115.700 -0.079 0.000 2.560 7 S HA -0.024 4.446 4.470 0.001 0.000 0.284 7 S C 0.954 175.523 174.600 -0.051 0.000 1.327 7 S CA -0.178 57.993 58.200 -0.048 0.000 1.055 7 S CB 0.614 63.802 63.200 -0.019 0.000 0.868 7 S HN 0.749 nan 8.310 nan 0.000 0.506 8 D N 2.965 123.330 120.400 -0.058 0.000 2.244 8 D HA -0.209 4.431 4.640 0.001 0.000 0.197 8 D C 0.924 177.145 176.300 -0.133 0.000 1.006 8 D CA 2.064 56.004 54.000 -0.100 0.000 0.888 8 D CB -0.427 40.333 40.800 -0.067 0.000 0.912 8 D HN 0.651 nan 8.370 nan 0.000 0.452 9 D N 0.448 120.838 120.400 -0.017 0.000 2.091 9 D HA -0.075 4.565 4.640 0.001 0.000 0.199 9 D C 1.855 178.228 176.300 0.122 0.000 0.980 9 D CA 0.887 54.942 54.000 0.093 0.000 0.831 9 D CB -0.536 40.342 40.800 0.131 0.000 0.987 9 D HN 0.310 nan 8.370 nan 0.000 0.460 10 E N 0.515 120.782 120.200 0.111 0.000 2.333 10 E HA -0.154 4.196 4.350 0.001 0.000 0.200 10 E C 1.367 178.097 176.600 0.216 0.000 1.010 10 E CA 0.795 57.330 56.400 0.226 0.000 0.841 10 E CB -0.032 29.773 29.700 0.176 0.000 0.757 10 E HN 0.278 nan 8.360 nan 0.000 0.508 11 K N -0.480 119.937 120.400 0.028 0.000 2.555 11 K HA -0.043 4.278 4.320 0.001 0.000 0.193 11 K C 0.574 177.136 176.600 -0.064 0.000 1.032 11 K CA 0.336 56.588 56.287 -0.058 0.000 1.004 11 K CB 0.192 32.570 32.500 -0.203 0.000 0.804 11 K HN 0.086 nan 8.250 nan 0.000 0.496 12 F N -0.245 119.746 119.950 0.068 0.000 2.721 12 F HA 0.224 4.751 4.527 0.001 0.000 0.301 12 F C 1.228 177.039 175.800 0.018 0.000 1.096 12 F CA 0.193 58.214 58.000 0.035 0.000 1.308 12 F CB 0.456 39.468 39.000 0.020 0.000 1.086 12 F HN -0.105 nan 8.300 nan 0.000 0.587 13 L N -2.489 118.852 121.223 0.197 0.000 3.284 13 L HA 0.213 4.553 4.340 0.001 0.000 0.294 13 L C -0.837 175.951 176.870 -0.137 0.000 1.183 13 L CA 0.196 55.049 54.840 0.021 0.000 1.056 13 L CB 0.902 42.941 42.059 -0.033 0.000 1.513 13 L HN -0.262 nan 8.230 nan 0.000 0.601 14 F N 0.669 120.645 119.950 0.043 0.000 2.508 14 F HA 0.445 4.973 4.527 0.001 0.000 0.325 14 F C 0.318 176.108 175.800 -0.016 0.000 1.090 14 F CA -1.234 56.766 58.000 0.000 0.000 0.945 14 F CB 1.678 40.661 39.000 -0.028 0.000 1.156 14 F HN -0.373 nan 8.300 nan 0.000 0.463 15 V N 0.440 120.490 119.914 0.227 0.000 2.583 15 V HA 0.297 4.417 4.120 0.001 0.000 0.287 15 V C -0.460 175.653 176.094 0.032 0.000 1.051 15 V CA -0.891 61.470 62.300 0.102 0.000 1.010 15 V CB 0.662 32.533 31.823 0.080 0.000 0.988 15 V HN 0.490 nan 8.190 nan 0.000 0.478 16 D N 4.003 124.382 120.400 -0.034 0.000 2.365 16 D HA 0.296 4.936 4.640 0.001 0.000 0.237 16 D C 0.479 176.641 176.300 -0.230 0.000 1.190 16 D CA 0.080 53.974 54.000 -0.177 0.000 0.867 16 D CB 1.576 42.256 40.800 -0.201 0.000 1.050 16 D HN 0.642 nan 8.370 nan 0.000 0.491 17 K N 1.109 121.363 120.400 -0.244 0.000 2.412 17 K HA 0.079 4.400 4.320 0.001 0.000 0.202 17 K C 0.017 176.477 176.600 -0.233 0.000 1.102 17 K CA -0.292 55.891 56.287 -0.173 0.000 1.027 17 K CB 0.537 32.989 32.500 -0.080 0.000 0.931 17 K HN 0.049 nan 8.250 nan 0.000 0.557 18 N N 1.302 119.782 118.700 -0.367 0.000 2.508 18 N HA 0.150 4.891 4.740 0.001 0.000 0.253 18 N C -1.300 174.004 175.510 -0.343 0.000 1.145 18 N CA 0.481 53.366 53.050 -0.276 0.000 0.973 18 N CB 0.014 38.363 38.487 -0.230 0.000 1.305 18 N HN -0.073 nan 8.380 nan 0.000 0.506 19 F N -0.546 119.391 119.950 -0.022 0.000 2.869 19 F HA 0.421 4.949 4.527 0.001 0.000 0.325 19 F C -0.045 175.744 175.800 -0.019 0.000 1.184 19 F CA -1.054 56.935 58.000 -0.018 0.000 0.951 19 F CB 0.380 39.373 39.000 -0.012 0.000 1.421 19 F HN -0.157 nan 8.300 nan 0.000 0.501 20 V N 2.592 122.633 119.914 0.211 0.000 2.686 20 V HA 0.297 4.418 4.120 0.001 0.000 0.295 20 V C -0.080 176.049 176.094 0.058 0.000 1.057 20 V CA -0.733 61.616 62.300 0.082 0.000 1.012 20 V CB 1.233 33.071 31.823 0.025 0.000 1.006 20 V HN 0.695 nan 8.190 nan 0.000 0.477 21 N N 4.867 123.585 118.700 0.030 0.000 3.210 21 N HA -0.015 4.726 4.740 0.001 0.000 0.314 21 N C 0.063 175.572 175.510 -0.003 0.000 1.291 21 N CA -0.067 52.989 53.050 0.011 0.000 1.202 21 N CB -0.844 37.641 38.487 -0.005 0.000 1.475 21 N HN 0.854 nan 8.380 nan 0.000 0.554 22 N N 0.781 119.480 118.700 -0.002 0.000 2.359 22 N HA 0.003 4.744 4.740 0.001 0.000 0.261 22 N C -1.833 173.671 175.510 -0.009 0.000 1.267 22 N CA -0.879 52.164 53.050 -0.012 0.000 0.864 22 N CB 0.709 39.182 38.487 -0.024 0.000 1.063 22 N HN 0.088 nan 8.380 nan 0.000 0.474 23 P HA 0.084 nan 4.420 nan 0.000 0.261 23 P C 0.869 178.183 177.300 0.024 0.000 1.352 23 P CA 0.033 63.132 63.100 -0.001 0.000 0.891 23 P CB 0.330 32.029 31.700 -0.002 0.000 1.383 24 L N -0.308 120.927 121.223 0.019 0.000 1.994 24 L HA -0.128 4.213 4.340 0.001 0.000 0.208 24 L C 2.342 179.244 176.870 0.053 0.000 1.071 24 L CA 2.197 57.055 54.840 0.030 0.000 0.745 24 L CB -1.452 40.614 42.059 0.012 0.000 0.892 24 L HN 0.038 nan 8.230 nan 0.000 0.431 25 A N -0.906 121.942 122.820 0.046 0.000 1.897 25 A HA -0.202 4.119 4.320 0.001 0.000 0.215 25 A C 2.209 179.848 177.584 0.091 0.000 1.181 25 A CA 0.994 53.072 52.037 0.067 0.000 0.620 25 A CB -0.525 18.507 19.000 0.054 0.000 0.821 25 A HN 0.414 nan 8.150 nan 0.000 0.443 26 Q N -0.496 119.326 119.800 0.038 0.000 2.437 26 Q HA -0.030 4.311 4.340 0.001 0.000 0.210 26 Q C 1.693 177.719 176.000 0.044 0.000 0.972 26 Q CA 1.155 56.934 55.803 -0.040 0.000 0.903 26 Q CB -0.107 28.575 28.738 -0.095 0.000 0.967 26 Q HN 0.621 nan 8.270 nan 0.000 0.486 27 A N -0.223 122.715 122.820 0.198 0.000 2.013 27 A HA -0.025 4.295 4.320 0.001 0.000 0.204 27 A C 1.691 179.507 177.584 0.387 0.000 1.262 27 A CA 0.556 52.799 52.037 0.342 0.000 0.800 27 A CB -0.133 18.964 19.000 0.162 0.000 0.909 27 A HN 0.291 nan 8.150 nan 0.000 0.472 28 D N 0.234 120.771 120.400 0.228 0.000 2.311 28 D HA -0.185 4.455 4.640 0.001 0.000 0.212 28 D C 1.740 178.119 176.300 0.132 0.000 0.972 28 D CA 1.395 55.470 54.000 0.126 0.000 0.887 28 D CB -0.297 40.553 40.800 0.083 0.000 0.915 28 D HN 0.740 nan 8.370 nan 0.000 0.497 29 W N 0.950 122.245 121.300 -0.007 0.000 2.336 29 W HA -0.144 4.517 4.660 0.001 0.000 0.277 29 W C 1.490 178.005 176.519 -0.008 0.000 1.211 29 W CA 0.817 58.159 57.345 -0.005 0.000 1.187 29 W CB -1.464 27.998 29.460 0.003 0.000 1.132 29 W HN -0.098 nan 8.180 nan 0.000 0.562 30 S N 1.655 116.935 115.700 -0.700 0.000 2.419 30 S HA -0.022 4.449 4.470 0.001 0.000 0.235 30 S C 1.904 176.277 174.600 -0.378 0.000 1.019 30 S CA 1.559 59.296 58.200 -0.773 0.000 0.982 30 S CB -0.673 62.226 63.200 -0.502 0.000 0.789 30 S HN 0.379 nan 8.310 nan 0.000 0.490 31 A N 1.488 124.180 122.820 -0.213 0.000 2.233 31 A HA 0.095 4.415 4.320 0.001 0.000 0.230 31 A C 1.495 179.007 177.584 -0.120 0.000 1.347 31 A CA 0.097 52.054 52.037 -0.134 0.000 1.087 31 A CB -0.591 18.359 19.000 -0.084 0.000 0.871 31 A HN 0.419 nan 8.150 nan 0.000 0.519 32 K N 0.274 120.575 120.400 -0.165 0.000 2.184 32 K HA -0.235 4.085 4.320 0.001 0.000 0.210 32 K C 0.971 177.529 176.600 -0.069 0.000 1.048 32 K CA 1.625 57.848 56.287 -0.107 0.000 0.931 32 K CB -0.118 32.293 32.500 -0.148 0.000 0.718 32 K HN 0.271 nan 8.250 nan 0.000 0.465 33 K N 1.079 121.431 120.400 -0.081 0.000 2.640 33 K HA -0.020 4.301 4.320 0.001 0.000 0.193 33 K C 0.471 177.027 176.600 -0.072 0.000 1.036 33 K CA 0.430 56.678 56.287 -0.064 0.000 0.962 33 K CB -0.651 31.811 32.500 -0.063 0.000 0.791 33 K HN 0.236 nan 8.250 nan 0.000 0.491 34 L N 1.353 122.524 121.223 -0.086 0.000 2.418 34 L HA 0.019 4.360 4.340 0.001 0.000 0.274 34 L C 0.463 177.234 176.870 -0.164 0.000 1.135 34 L CA -0.271 54.488 54.840 -0.136 0.000 0.870 34 L CB 0.470 42.447 42.059 -0.138 0.000 1.154 34 L HN -0.107 nan 8.230 nan 0.000 0.462 35 V N 0.366 120.149 119.914 -0.218 0.000 3.076 35 V HA 0.595 4.715 4.120 0.001 0.000 0.311 35 V C -1.439 174.450 176.094 -0.342 0.000 1.346 35 V CA -1.084 61.100 62.300 -0.193 0.000 1.056 35 V CB 1.763 33.566 31.823 -0.035 0.000 1.093 35 V HN 0.664 nan 8.190 nan 0.000 0.468 36 W N -0.213 121.076 121.300 -0.018 0.000 2.627 36 W HA 0.857 5.517 4.660 0.001 0.000 0.339 36 W C -0.662 175.912 176.519 0.092 0.000 1.058 36 W CA -0.381 56.963 57.345 -0.003 0.000 1.223 36 W CB 2.172 31.553 29.460 -0.132 0.000 1.389 36 W HN 0.753 nan 8.180 nan 0.000 0.541 37 V N 0.079 120.277 119.914 0.474 0.000 3.204 37 V HA 0.514 4.634 4.120 0.001 0.000 0.298 37 V C -2.536 173.788 176.094 0.383 0.000 1.328 37 V CA -2.941 59.591 62.300 0.385 0.000 1.035 37 V CB 1.185 33.123 31.823 0.192 0.000 1.095 37 V HN 0.300 nan 8.190 nan 0.000 0.442 38 P HA 0.054 nan 4.420 nan 0.000 0.274 38 P C -0.113 177.204 177.300 0.028 0.000 1.209 38 P CA 0.728 63.851 63.100 0.039 0.000 0.790 38 P CB 0.271 31.996 31.700 0.041 0.000 0.834 39 S N -0.106 115.578 115.700 -0.026 0.000 2.388 39 S HA 0.070 4.540 4.470 0.001 0.000 0.279 39 S C 0.182 174.815 174.600 0.056 0.000 0.987 39 S CA -0.533 57.669 58.200 0.003 0.000 0.993 39 S CB -0.008 63.213 63.200 0.035 0.000 1.207 39 S HN 0.404 nan 8.310 nan 0.000 0.425 40 E N 2.240 122.470 120.200 0.051 0.000 2.520 40 E HA 0.090 4.440 4.350 0.001 0.000 0.201 40 E C 0.946 177.616 176.600 0.117 0.000 1.122 40 E CA 0.322 56.777 56.400 0.092 0.000 0.896 40 E CB 0.226 29.943 29.700 0.029 0.000 0.891 40 E HN 0.337 nan 8.360 nan 0.000 0.533 41 K N -1.298 119.168 120.400 0.110 0.000 2.589 41 K HA 0.072 4.393 4.320 0.001 0.000 0.218 41 K C 0.193 177.054 176.600 0.434 0.000 1.468 41 K CA 0.244 56.646 56.287 0.191 0.000 1.002 41 K CB 0.760 33.331 32.500 0.117 0.000 1.200 41 K HN 0.065 nan 8.250 nan 0.000 0.614 42 H N -1.184 117.896 119.070 0.017 0.000 3.233 42 H HA 0.267 4.823 4.556 0.001 0.000 0.263 42 H C 1.185 176.465 175.328 -0.080 0.000 1.168 42 H CA 0.539 56.604 56.048 0.029 0.000 1.159 42 H CB 1.232 31.061 29.762 0.112 0.000 1.593 42 H HN 0.329 nan 8.280 nan 0.000 0.580 43 G N 0.491 109.176 108.800 -0.192 0.000 2.855 43 G HA2 -0.325 3.636 3.960 0.001 0.000 0.231 43 G HA3 -0.325 3.636 3.960 0.001 0.000 0.231 43 G C 0.125 174.570 174.900 -0.758 0.000 1.242 43 G CA 1.006 45.687 45.100 -0.699 0.000 0.789 43 G HN 0.293 nan 8.290 nan 0.000 0.517 44 F N 0.436 120.438 119.950 0.087 0.000 2.713 44 F HA 0.644 5.171 4.527 0.001 0.000 0.311 44 F C -0.237 175.765 175.800 0.336 0.000 1.141 44 F CA -0.260 57.855 58.000 0.191 0.000 0.939 44 F CB 1.973 41.047 39.000 0.123 0.000 1.325 44 F HN 0.545 nan 8.300 nan 0.000 0.453 45 E N 0.794 121.354 120.200 0.600 0.000 2.407 45 E HA 0.784 5.134 4.350 0.001 0.000 0.279 45 E C -1.855 174.842 176.600 0.161 0.000 1.012 45 E CA -1.313 55.340 56.400 0.420 0.000 0.800 45 E CB 1.877 31.720 29.700 0.238 0.000 1.276 45 E HN 0.810 nan 8.360 nan 0.000 0.452 46 A N 1.377 124.143 122.820 -0.091 0.000 2.425 46 A HA 0.703 5.024 4.320 0.001 0.000 0.249 46 A C -0.034 177.443 177.584 -0.179 0.000 1.084 46 A CA 0.504 52.323 52.037 -0.364 0.000 0.781 46 A CB 0.164 18.949 19.000 -0.357 0.000 1.019 46 A HN 1.130 nan 8.150 nan 0.000 0.490 47 A N 1.136 123.830 122.820 -0.209 0.000 2.586 47 A HA 0.711 5.032 4.320 0.001 0.000 0.291 47 A C -0.525 176.986 177.584 -0.121 0.000 1.062 47 A CA 0.079 52.047 52.037 -0.115 0.000 0.666 47 A CB 0.703 19.669 19.000 -0.056 0.000 1.281 47 A HN 1.615 nan 8.150 nan 0.000 0.421 48 S N 0.224 115.875 115.700 -0.082 0.000 2.532 48 S HA 0.634 5.104 4.470 0.001 0.000 0.299 48 S C -0.301 174.268 174.600 -0.052 0.000 1.105 48 S CA -0.562 57.593 58.200 -0.075 0.000 1.018 48 S CB 0.331 63.486 63.200 -0.076 0.000 1.021 48 S HN 0.655 nan 8.310 nan 0.000 0.483 49 I N 4.676 125.218 120.570 -0.047 0.000 2.919 49 I HA -0.007 4.163 4.170 0.001 0.000 0.303 49 I C 1.173 177.269 176.117 -0.034 0.000 1.221 49 I CA 0.232 61.513 61.300 -0.033 0.000 1.444 49 I CB 0.417 38.399 38.000 -0.030 0.000 1.331 49 I HN 0.587 nan 8.210 nan 0.000 0.572 50 K N 3.843 124.228 120.400 -0.026 0.000 2.367 50 K HA 0.307 4.627 4.320 0.001 0.000 0.198 50 K C -0.023 176.564 176.600 -0.022 0.000 1.132 50 K CA 0.562 56.834 56.287 -0.025 0.000 0.941 50 K CB 0.578 33.065 32.500 -0.021 0.000 1.052 50 K HN 0.605 nan 8.250 nan 0.000 0.507 51 E N 0.968 121.158 120.200 -0.017 0.000 2.522 51 E HA 0.097 4.447 4.350 0.001 0.000 0.315 51 E C -1.510 175.085 176.600 -0.009 0.000 0.917 51 E CA -0.037 56.355 56.400 -0.014 0.000 0.796 51 E CB 1.457 31.150 29.700 -0.012 0.000 1.323 51 E HN -0.034 nan 8.360 nan 0.000 0.397 52 E N 3.975 124.170 120.200 -0.009 0.000 2.129 52 E HA 0.110 4.460 4.350 0.001 0.000 0.283 52 E C -0.716 175.882 176.600 -0.003 0.000 1.080 52 E CA -0.015 56.382 56.400 -0.005 0.000 0.867 52 E CB 0.612 30.309 29.700 -0.005 0.000 1.056 52 E HN 0.208 nan 8.360 nan 0.000 0.404 53 K N 3.135 123.534 120.400 -0.001 0.000 2.606 53 K HA 0.305 4.626 4.320 0.001 0.000 0.196 53 K C 0.602 177.203 176.600 0.002 0.000 1.048 53 K CA -0.338 55.949 56.287 -0.000 0.000 1.017 53 K CB 1.079 33.579 32.500 -0.001 0.000 1.413 53 K HN 0.694 nan 8.250 nan 0.000 0.568 54 G N 3.081 111.882 108.800 0.002 0.000 2.582 54 G HA2 -0.438 3.522 3.960 0.001 0.000 0.288 54 G HA3 -0.438 3.522 3.960 0.001 0.000 0.288 54 G C 0.685 175.588 174.900 0.006 0.000 1.247 54 G CA 0.761 45.862 45.100 0.003 0.000 0.972 54 G HN 0.609 nan 8.290 nan 0.000 0.557 55 D N 1.014 121.418 120.400 0.006 0.000 2.362 55 D HA 0.079 4.720 4.640 0.001 0.000 0.215 55 D C 1.004 177.311 176.300 0.012 0.000 0.978 55 D CA 1.909 55.914 54.000 0.009 0.000 0.921 55 D CB 0.051 40.857 40.800 0.009 0.000 0.895 55 D HN 0.510 nan 8.370 nan 0.000 0.494 56 E N -1.576 118.630 120.200 0.010 0.000 2.359 56 E HA 0.671 5.022 4.350 0.001 0.000 0.266 56 E C -1.231 175.374 176.600 0.009 0.000 0.920 56 E CA -1.010 55.397 56.400 0.011 0.000 0.788 56 E CB 2.699 32.404 29.700 0.009 0.000 1.279 56 E HN -0.209 nan 8.360 nan 0.000 0.438 57 V N 0.473 120.393 119.914 0.010 0.000 2.969 57 V HA 0.427 4.548 4.120 0.001 0.000 0.304 57 V C -0.700 175.397 176.094 0.005 0.000 1.192 57 V CA -1.107 61.197 62.300 0.006 0.000 0.962 57 V CB 2.075 33.903 31.823 0.007 0.000 1.045 57 V HN 0.859 nan 8.190 nan 0.000 0.428 58 T N 1.267 115.821 114.554 -0.001 0.000 2.817 58 T HA 0.811 5.162 4.350 0.001 0.000 0.293 58 T C -0.663 174.033 174.700 -0.007 0.000 0.964 58 T CA -0.421 61.677 62.100 -0.003 0.000 1.085 58 T CB 1.349 70.213 68.868 -0.006 0.000 0.921 58 T HN 0.545 nan 8.240 nan 0.000 0.502 59 V N 2.643 122.553 119.914 -0.006 0.000 3.087 59 V HA 0.583 4.703 4.120 0.001 0.000 0.306 59 V C -0.661 175.425 176.094 -0.014 0.000 1.187 59 V CA -1.078 61.215 62.300 -0.012 0.000 0.999 59 V CB 2.189 34.008 31.823 -0.008 0.000 1.049 59 V HN 1.077 nan 8.190 nan 0.000 0.431 60 E N 2.761 122.948 120.200 -0.023 0.000 2.176 60 E HA 0.571 4.921 4.350 0.001 0.000 0.267 60 E C -0.978 175.605 176.600 -0.029 0.000 0.893 60 E CA -0.730 55.657 56.400 -0.022 0.000 0.761 60 E CB 1.418 31.104 29.700 -0.024 0.000 1.133 60 E HN 0.653 nan 8.360 nan 0.000 0.409 61 L N 4.711 125.921 121.223 -0.023 0.000 2.615 61 L HA -0.013 4.328 4.340 0.001 0.000 0.271 61 L C 1.237 178.088 176.870 -0.032 0.000 1.183 61 L CA 0.194 55.019 54.840 -0.026 0.000 0.933 61 L CB -0.022 42.027 42.059 -0.017 0.000 1.199 61 L HN 0.745 nan 8.230 nan 0.000 0.487 62 Q N 1.510 121.281 119.800 -0.049 0.000 2.408 62 Q HA -0.118 4.223 4.340 0.001 0.000 0.214 62 Q C 0.820 176.805 176.000 -0.026 0.000 0.957 62 Q CA 0.806 56.581 55.803 -0.047 0.000 0.965 62 Q CB 0.263 28.954 28.738 -0.078 0.000 0.991 62 Q HN 0.766 nan 8.270 nan 0.000 0.505 63 E N 0.509 120.701 120.200 -0.014 0.000 2.949 63 E HA 0.004 4.355 4.350 0.001 0.000 0.182 63 E C 0.866 177.468 176.600 0.002 0.000 1.154 63 E CA 0.628 57.032 56.400 0.006 0.000 1.205 63 E CB -0.745 28.968 29.700 0.023 0.000 1.865 63 E HN 0.314 nan 8.360 nan 0.000 0.516 64 N N -0.116 118.581 118.700 -0.005 0.000 2.521 64 N HA -0.037 4.704 4.740 0.001 0.000 0.188 64 N C 0.588 176.092 175.510 -0.009 0.000 1.146 64 N CA 0.874 53.919 53.050 -0.007 0.000 0.893 64 N CB -0.036 38.442 38.487 -0.015 0.000 0.975 64 N HN 0.455 nan 8.380 nan 0.000 0.451 65 G N 1.179 109.972 108.800 -0.011 0.000 2.205 65 G HA2 -0.304 3.656 3.960 0.001 0.000 0.269 65 G HA3 -0.304 3.656 3.960 0.001 0.000 0.269 65 G C 0.348 175.240 174.900 -0.013 0.000 0.977 65 G CA 0.421 45.513 45.100 -0.012 0.000 0.652 65 G HN 0.320 nan 8.290 nan 0.000 0.539 66 K N 0.515 120.907 120.400 -0.012 0.000 2.276 66 K HA 0.369 4.690 4.320 0.001 0.000 0.259 66 K C 0.144 176.737 176.600 -0.012 0.000 1.001 66 K CA 0.052 56.332 56.287 -0.012 0.000 0.927 66 K CB 0.602 33.095 32.500 -0.012 0.000 0.969 66 K HN 0.249 nan 8.250 nan 0.000 0.490 67 K N 1.963 122.357 120.400 -0.010 0.000 2.507 67 K HA 0.314 4.635 4.320 0.001 0.000 0.253 67 K C -1.478 175.119 176.600 -0.006 0.000 0.969 67 K CA -0.524 55.757 56.287 -0.010 0.000 0.908 67 K CB 1.116 33.610 32.500 -0.010 0.000 1.127 67 K HN 0.200 nan 8.250 nan 0.000 0.437 68 V N 2.027 121.939 119.914 -0.004 0.000 2.876 68 V HA 0.474 4.595 4.120 0.001 0.000 0.312 68 V C -0.429 175.667 176.094 0.003 0.000 1.085 68 V CA -0.903 61.397 62.300 0.000 0.000 0.945 68 V CB 2.292 34.117 31.823 0.003 0.000 1.017 68 V HN 0.674 nan 8.190 nan 0.000 0.428 69 T N 5.257 119.814 114.554 0.005 0.000 2.797 69 T HA 0.747 5.097 4.350 0.001 0.000 0.279 69 T C -0.500 174.208 174.700 0.013 0.000 0.991 69 T CA -0.235 61.870 62.100 0.007 0.000 0.979 69 T CB 0.819 69.690 68.868 0.004 0.000 0.943 69 T HN 0.374 nan 8.240 nan 0.000 0.444 70 L N 1.010 122.245 121.223 0.019 0.000 2.283 70 L HA 0.569 4.910 4.340 0.001 0.000 0.259 70 L C 0.707 177.593 176.870 0.027 0.000 1.027 70 L CA -1.204 53.652 54.840 0.027 0.000 0.828 70 L CB 1.882 43.965 42.059 0.040 0.000 1.380 70 L HN 0.504 nan 8.230 nan 0.000 0.425 71 S N 0.399 116.117 115.700 0.029 0.000 2.563 71 S HA -0.051 4.419 4.470 0.001 0.000 0.284 71 S C 0.768 175.387 174.600 0.031 0.000 1.331 71 S CA -0.058 58.158 58.200 0.027 0.000 1.047 71 S CB 0.300 63.517 63.200 0.029 0.000 0.859 71 S HN 0.523 nan 8.310 nan 0.000 0.514 72 K N 2.335 122.750 120.400 0.025 0.000 2.773 72 K HA -0.036 4.284 4.320 0.001 0.000 0.222 72 K C -0.338 176.281 176.600 0.031 0.000 0.985 72 K CA 0.666 56.968 56.287 0.025 0.000 1.126 72 K CB -0.597 31.913 32.500 0.017 0.000 0.919 72 K HN 0.680 nan 8.250 nan 0.000 0.487 73 D N -1.559 118.864 120.400 0.039 0.000 2.523 73 D HA 0.014 4.655 4.640 0.001 0.000 0.269 73 D C -0.283 176.055 176.300 0.064 0.000 1.374 73 D CA -0.249 53.778 54.000 0.045 0.000 0.820 73 D CB 0.281 41.102 40.800 0.036 0.000 1.211 73 D HN 0.056 nan 8.370 nan 0.000 0.502 74 D N 1.243 121.688 120.400 0.075 0.000 2.398 74 D HA 0.202 4.842 4.640 0.001 0.000 0.210 74 D C 0.816 177.200 176.300 0.141 0.000 1.094 74 D CA -0.085 53.979 54.000 0.107 0.000 0.839 74 D CB 1.046 41.900 40.800 0.090 0.000 0.963 74 D HN 0.476 nan 8.370 nan 0.000 0.506 75 I N -1.727 118.910 120.570 0.111 0.000 2.498 75 I HA 0.519 4.690 4.170 0.001 0.000 0.301 75 I C -0.640 175.547 176.117 0.116 0.000 0.984 75 I CA -0.805 60.568 61.300 0.122 0.000 1.204 75 I CB 1.457 39.504 38.000 0.077 0.000 1.362 75 I HN -0.344 nan 8.210 nan 0.000 0.471 76 Q N 3.458 123.349 119.800 0.152 0.000 2.323 76 Q HA 0.398 4.739 4.340 0.001 0.000 0.271 76 Q C -1.345 174.787 176.000 0.220 0.000 1.048 76 Q CA -1.242 54.636 55.803 0.125 0.000 0.792 76 Q CB 2.455 31.195 28.738 0.003 0.000 1.280 76 Q HN 0.531 nan 8.270 nan 0.000 0.441 77 K N 1.477 121.965 120.400 0.146 0.000 2.550 77 K HA 0.030 4.350 4.320 0.001 0.000 0.280 77 K C -0.374 176.417 176.600 0.318 0.000 0.987 77 K CA 0.658 57.039 56.287 0.156 0.000 1.048 77 K CB 0.249 32.805 32.500 0.093 0.000 0.879 77 K HN 0.505 nan 8.250 nan 0.000 0.491 78 M N 2.094 121.844 119.600 0.251 0.000 2.367 78 M HA 0.166 4.646 4.480 0.001 0.000 0.339 78 M C -0.416 176.047 176.300 0.271 0.000 1.177 78 M CA -0.201 55.309 55.300 0.352 0.000 1.068 78 M CB 1.145 33.689 32.600 -0.094 0.000 1.602 78 M HN 0.645 nan 8.290 nan 0.000 0.457 79 N N 2.776 121.676 118.700 0.333 0.000 2.509 79 N HA 0.465 5.205 4.740 0.001 0.000 0.287 79 N C -2.478 173.240 175.510 0.347 0.000 1.121 79 N CA -1.300 51.916 53.050 0.276 0.000 0.977 79 N CB 0.978 39.553 38.487 0.147 0.000 1.167 79 N HN 0.373 nan 8.380 nan 0.000 0.476 80 P HA 0.047 nan 4.420 nan 0.000 0.269 80 P C -2.129 175.324 177.300 0.255 0.000 1.217 80 P CA -0.935 62.333 63.100 0.279 0.000 0.783 80 P CB 0.012 31.833 31.700 0.202 0.000 0.898 81 P HA -0.142 nan 4.420 nan 0.000 0.225 81 P C 1.095 178.442 177.300 0.078 0.000 1.148 81 P CA 1.363 64.541 63.100 0.129 0.000 0.779 81 P CB -0.083 31.669 31.700 0.085 0.000 0.780 82 K N -0.692 119.696 120.400 -0.020 0.000 2.555 82 K HA -0.036 4.285 4.320 0.001 0.000 0.193 82 K C 0.347 176.791 176.600 -0.260 0.000 1.032 82 K CA 0.636 56.818 56.287 -0.175 0.000 1.004 82 K CB -0.429 31.876 32.500 -0.326 0.000 0.804 82 K HN 0.084 nan 8.250 nan 0.000 0.496 83 F N 0.650 120.643 119.950 0.072 0.000 2.682 83 F HA 0.281 4.809 4.527 0.001 0.000 0.308 83 F C 0.662 176.510 175.800 0.081 0.000 1.093 83 F CA -0.565 57.479 58.000 0.074 0.000 1.244 83 F CB 0.434 39.486 39.000 0.087 0.000 1.052 83 F HN -0.201 nan 8.300 nan 0.000 0.573 84 S N 1.159 117.002 115.700 0.238 0.000 2.575 84 S HA 0.021 4.492 4.470 0.001 0.000 0.295 84 S C 0.744 175.426 174.600 0.137 0.000 1.267 84 S CA 0.279 58.589 58.200 0.183 0.000 1.074 84 S CB -0.083 63.209 63.200 0.152 0.000 0.829 84 S HN 0.374 nan 8.310 nan 0.000 0.497 85 K N 0.863 121.324 120.400 0.103 0.000 3.150 85 K HA -0.144 4.176 4.320 0.001 0.000 0.267 85 K C -0.140 176.506 176.600 0.077 0.000 1.028 85 K CA 0.180 56.509 56.287 0.070 0.000 0.753 85 K CB -1.573 30.968 32.500 0.068 0.000 1.288 85 K HN 0.414 nan 8.250 nan 0.000 0.473 86 V N 0.851 120.828 119.914 0.104 0.000 3.139 86 V HA -0.073 4.047 4.120 0.001 0.000 0.307 86 V C 1.563 177.684 176.094 0.046 0.000 1.095 86 V CA 0.465 62.833 62.300 0.114 0.000 1.160 86 V CB 1.123 33.045 31.823 0.165 0.000 1.003 86 V HN 0.377 nan 8.190 nan 0.000 0.489 87 E N 1.770 121.993 120.200 0.039 0.000 2.166 87 E HA 0.068 4.418 4.350 0.001 0.000 0.192 87 E C 0.111 176.696 176.600 -0.025 0.000 0.967 87 E CA 0.485 56.863 56.400 -0.035 0.000 0.840 87 E CB 0.154 29.829 29.700 -0.041 0.000 0.795 87 E HN 0.725 nan 8.360 nan 0.000 0.470 88 D N 0.596 121.029 120.400 0.055 0.000 2.408 88 D HA 0.111 4.751 4.640 0.001 0.000 0.261 88 D C 1.303 177.625 176.300 0.037 0.000 1.190 88 D CA -0.179 53.874 54.000 0.088 0.000 0.910 88 D CB 0.464 41.355 40.800 0.152 0.000 1.097 88 D HN -0.220 nan 8.370 nan 0.000 0.522 89 M N 1.636 121.229 119.600 -0.011 0.000 2.164 89 M HA -0.247 4.233 4.480 0.001 0.000 0.251 89 M C 1.768 178.033 176.300 -0.058 0.000 1.087 89 M CA 1.457 56.724 55.300 -0.056 0.000 1.071 89 M CB -1.477 31.078 32.600 -0.074 0.000 1.347 89 M HN 0.457 nan 8.290 nan 0.000 0.399 90 A N -0.449 122.354 122.820 -0.028 0.000 2.292 90 A HA -0.117 4.204 4.320 0.001 0.000 0.209 90 A C 1.949 179.537 177.584 0.007 0.000 1.209 90 A CA 1.517 53.550 52.037 -0.008 0.000 0.746 90 A CB -0.718 18.287 19.000 0.008 0.000 0.764 90 A HN 0.633 nan 8.150 nan 0.000 0.492 91 E N -0.844 119.357 120.200 0.001 0.000 2.152 91 E HA 0.210 4.561 4.350 0.001 0.000 0.195 91 E C -0.172 176.374 176.600 -0.090 0.000 0.934 91 E CA -0.333 56.106 56.400 0.065 0.000 0.869 91 E CB -0.084 29.730 29.700 0.190 0.000 0.842 91 E HN 0.568 nan 8.360 nan 0.000 0.472 92 L N 2.360 123.293 121.223 -0.482 0.000 2.678 92 L HA -0.097 4.244 4.340 0.001 0.000 0.285 92 L C 1.083 177.549 176.870 -0.673 0.000 1.233 92 L CA 0.423 54.432 54.840 -1.386 0.000 0.920 92 L CB 0.052 41.584 42.059 -0.877 0.000 1.176 92 L HN 0.216 nan 8.230 nan 0.000 0.495 93 T N -1.199 113.009 114.554 -0.577 0.000 3.155 93 T HA 0.017 4.367 4.350 0.001 0.000 0.264 93 T C 0.437 175.092 174.700 -0.075 0.000 1.160 93 T CA -0.043 62.014 62.100 -0.071 0.000 1.075 93 T CB -0.590 68.382 68.868 0.174 0.000 0.921 93 T HN 0.557 nan 8.240 nan 0.000 0.533 94 C N 1.384 120.586 119.300 -0.164 0.000 2.505 94 C HA 0.580 5.041 4.460 0.001 0.000 0.342 94 C C -0.223 174.696 174.990 -0.118 0.000 1.121 94 C CA -1.429 57.538 59.018 -0.085 0.000 1.306 94 C CB 0.358 28.082 27.740 -0.027 0.000 1.897 94 C HN 0.505 nan 8.230 nan 0.000 0.446 95 L N 4.336 125.511 121.223 -0.078 0.000 2.275 95 L HA 0.501 4.841 4.340 0.001 0.000 0.288 95 L C -0.363 176.455 176.870 -0.085 0.000 1.046 95 L CA 0.497 55.291 54.840 -0.077 0.000 0.805 95 L CB 0.791 42.834 42.059 -0.026 0.000 1.193 95 L HN 0.749 nan 8.230 nan 0.000 0.426 96 N N 0.623 119.241 118.700 -0.137 0.000 2.591 96 N HA 0.118 4.858 4.740 0.001 0.000 0.263 96 N C -0.101 175.276 175.510 -0.222 0.000 1.308 96 N CA -0.761 52.176 53.050 -0.188 0.000 0.837 96 N CB 1.481 39.793 38.487 -0.290 0.000 1.548 96 N HN 0.476 nan 8.380 nan 0.000 0.493 97 E N 0.457 120.531 120.200 -0.209 0.000 2.338 97 E HA -0.082 4.269 4.350 0.001 0.000 0.197 97 E C 1.015 177.421 176.600 -0.323 0.000 1.007 97 E CA 0.962 57.278 56.400 -0.140 0.000 0.849 97 E CB 0.155 29.865 29.700 0.016 0.000 0.774 97 E HN 0.638 nan 8.360 nan 0.000 0.506 98 A N 0.464 122.841 122.820 -0.739 0.000 1.844 98 A HA -0.085 4.236 4.320 0.001 0.000 0.212 98 A C 2.324 179.375 177.584 -0.889 0.000 1.221 98 A CA 1.258 52.572 52.037 -1.206 0.000 0.607 98 A CB -0.558 17.457 19.000 -1.641 0.000 0.878 98 A HN 0.292 nan 8.150 nan 0.000 0.451 99 S N 0.361 115.594 115.700 -0.778 0.000 2.354 99 S HA -0.186 4.285 4.470 0.001 0.000 0.219 99 S C 1.803 176.245 174.600 -0.263 0.000 1.035 99 S CA 1.559 59.461 58.200 -0.497 0.000 1.037 99 S CB -1.140 61.882 63.200 -0.297 0.000 0.956 99 S HN 0.270 nan 8.310 nan 0.000 0.428 100 V N 2.576 122.359 119.914 -0.219 0.000 2.363 100 V HA -0.228 3.893 4.120 0.001 0.000 0.254 100 V C 2.336 178.357 176.094 -0.121 0.000 1.074 100 V CA 2.050 64.268 62.300 -0.137 0.000 1.069 100 V CB -0.994 30.767 31.823 -0.104 0.000 0.659 100 V HN 0.461 nan 8.190 nan 0.000 0.455 101 L N -0.559 120.575 121.223 -0.148 0.000 2.007 101 L HA -0.122 4.219 4.340 0.001 0.000 0.205 101 L C 2.387 179.219 176.870 -0.064 0.000 1.073 101 L CA 2.364 57.147 54.840 -0.095 0.000 0.744 101 L CB -1.244 40.784 42.059 -0.052 0.000 0.898 101 L HN 0.425 nan 8.230 nan 0.000 0.435 102 H N -0.208 118.714 119.070 -0.245 0.000 2.261 102 H HA -0.316 4.240 4.556 0.001 0.000 0.290 102 H C 2.171 177.466 175.328 -0.055 0.000 1.081 102 H CA 2.336 58.283 56.048 -0.168 0.000 1.196 102 H CB -0.134 29.448 29.762 -0.300 0.000 1.350 102 H HN 0.517 nan 8.280 nan 0.000 0.498 103 N N 0.068 118.729 118.700 -0.066 0.000 2.064 103 N HA -0.220 4.520 4.740 0.001 0.000 0.200 103 N C 2.301 177.759 175.510 -0.085 0.000 1.028 103 N CA 2.052 55.052 53.050 -0.083 0.000 0.880 103 N CB -0.376 38.086 38.487 -0.043 0.000 1.062 103 N HN 0.300 nan 8.380 nan 0.000 0.454 104 L N -0.211 120.962 121.223 -0.085 0.000 2.043 104 L HA -0.216 4.124 4.340 0.001 0.000 0.212 104 L C 2.610 179.424 176.870 -0.093 0.000 1.075 104 L CA 1.351 56.133 54.840 -0.097 0.000 0.752 104 L CB -0.478 41.504 42.059 -0.128 0.000 0.891 104 L HN 0.289 nan 8.230 nan 0.000 0.432 105 R N 0.138 120.582 120.500 -0.093 0.000 2.080 105 R HA -0.201 4.140 4.340 0.001 0.000 0.236 105 R C 2.208 178.499 176.300 -0.014 0.000 1.137 105 R CA 1.625 57.682 56.100 -0.072 0.000 0.943 105 R CB 0.001 30.319 30.300 0.030 0.000 0.846 105 R HN 0.201 nan 8.270 nan 0.000 0.431 106 E N 0.449 120.631 120.200 -0.031 0.000 1.997 106 E HA -0.199 4.152 4.350 0.001 0.000 0.201 106 E C 1.963 178.600 176.600 0.062 0.000 1.011 106 E CA 1.882 58.301 56.400 0.031 0.000 0.847 106 E CB -0.356 29.300 29.700 -0.072 0.000 0.787 106 E HN 0.325 nan 8.360 nan 0.000 0.472 107 R N -0.295 120.222 120.500 0.028 0.000 2.178 107 R HA -0.268 4.073 4.340 0.001 0.000 0.257 107 R C 2.449 178.789 176.300 0.066 0.000 1.163 107 R CA 1.810 57.939 56.100 0.048 0.000 0.981 107 R CB -1.009 29.306 30.300 0.025 0.000 0.878 107 R HN 0.286 nan 8.270 nan 0.000 0.454 108 Y N 1.095 121.317 120.300 -0.131 0.000 2.097 108 Y HA -0.209 4.342 4.550 0.001 0.000 0.282 108 Y C 2.008 177.811 175.900 -0.162 0.000 1.152 108 Y CA 1.203 59.165 58.100 -0.231 0.000 1.136 108 Y CB -0.490 37.696 38.460 -0.457 0.000 0.975 108 Y HN -0.123 nan 8.280 nan 0.000 0.498 109 F N -0.315 119.548 119.950 -0.146 0.000 2.325 109 F HA -0.084 4.444 4.527 0.001 0.000 0.299 109 F C 2.564 178.304 175.800 -0.099 0.000 1.090 109 F CA 1.354 59.225 58.000 -0.214 0.000 1.392 109 F CB -0.900 38.052 39.000 -0.080 0.000 1.053 109 F HN -0.052 nan 8.300 nan 0.000 0.521 110 S N -0.932 114.851 115.700 0.139 0.000 2.481 110 S HA 0.160 4.631 4.470 0.001 0.000 0.231 110 S C 1.989 176.698 174.600 0.182 0.000 0.996 110 S CA 0.997 59.275 58.200 0.129 0.000 0.942 110 S CB -0.367 62.897 63.200 0.106 0.000 0.768 110 S HN 0.579 nan 8.310 nan 0.000 0.520 111 G N 0.372 109.270 108.800 0.164 0.000 2.205 111 G HA2 -0.155 3.806 3.960 0.001 0.000 0.180 111 G HA3 -0.155 3.806 3.960 0.001 0.000 0.180 111 G C -0.241 174.781 174.900 0.204 0.000 1.004 111 G CA -0.420 44.863 45.100 0.305 0.000 0.670 111 G HN 0.393 nan 8.290 nan 0.000 0.496 112 L N 1.845 123.159 121.223 0.151 0.000 2.282 112 L HA 0.714 5.055 4.340 0.001 0.000 0.288 112 L C 1.744 178.668 176.870 0.091 0.000 1.033 112 L CA -1.045 53.867 54.840 0.120 0.000 0.807 112 L CB 1.081 43.200 42.059 0.101 0.000 1.209 112 L HN 0.197 nan 8.230 nan 0.000 0.423 113 I N -1.593 119.023 120.570 0.077 0.000 3.172 113 I HA 0.165 4.335 4.170 0.001 0.000 0.278 113 I C 0.101 176.142 176.117 -0.126 0.000 1.174 113 I CA 0.106 61.389 61.300 -0.028 0.000 1.445 113 I CB 0.045 37.966 38.000 -0.132 0.000 1.175 113 I HN 0.316 nan 8.210 nan 0.000 0.447 114 Y N 3.671 123.907 120.300 -0.107 0.000 2.442 114 Y HA 0.399 4.950 4.550 0.001 0.000 0.330 114 Y C 0.160 175.982 175.900 -0.130 0.000 1.129 114 Y CA 0.194 58.223 58.100 -0.120 0.000 1.365 114 Y CB 0.675 39.039 38.460 -0.161 0.000 1.233 114 Y HN 0.073 nan 8.280 nan 0.000 0.529 115 T N 2.700 117.271 114.554 0.028 0.000 2.956 115 T HA 0.350 4.701 4.350 0.001 0.000 0.312 115 T C -1.399 173.347 174.700 0.077 0.000 1.151 115 T CA -0.920 61.157 62.100 -0.039 0.000 1.024 115 T CB 0.867 69.706 68.868 -0.048 0.000 1.140 115 T HN 0.148 nan 8.240 nan 0.000 0.473 116 Y N 1.850 122.118 120.300 -0.053 0.000 2.320 116 Y HA 0.542 5.093 4.550 0.001 0.000 0.324 116 Y C 0.930 176.711 175.900 -0.198 0.000 1.190 116 Y CA -1.767 56.268 58.100 -0.109 0.000 1.215 116 Y CB 1.230 39.654 38.460 -0.060 0.000 1.221 116 Y HN 0.696 nan 8.280 nan 0.000 0.486 117 S N 0.645 116.214 115.700 -0.218 0.000 2.279 117 S HA 0.565 5.036 4.470 0.001 0.000 0.176 117 S C 0.559 174.778 174.600 -0.635 0.000 1.554 117 S CA -0.439 57.477 58.200 -0.472 0.000 1.242 117 S CB 0.653 63.409 63.200 -0.740 0.000 1.163 117 S HN 1.228 nan 8.310 nan 0.000 0.449 118 G N 2.767 111.422 108.800 -0.241 0.000 2.574 118 G HA2 -0.351 3.610 3.960 0.001 0.000 0.301 118 G HA3 -0.351 3.610 3.960 0.001 0.000 0.301 118 G C 0.459 175.285 174.900 -0.123 0.000 1.166 118 G CA 0.564 45.593 45.100 -0.119 0.000 0.971 118 G HN 0.633 nan 8.290 nan 0.000 0.542 119 L N 0.967 122.190 121.223 -0.001 0.000 2.121 119 L HA 0.352 4.693 4.340 0.001 0.000 0.200 119 L C 2.020 178.937 176.870 0.078 0.000 1.077 119 L CA 1.200 56.082 54.840 0.069 0.000 0.766 119 L CB -0.752 41.421 42.059 0.190 0.000 0.931 119 L HN 0.561 nan 8.230 nan 0.000 0.452 120 F N -0.009 119.985 119.950 0.073 0.000 2.426 120 F HA 0.426 4.953 4.527 0.001 0.000 0.309 120 F C 0.177 176.014 175.800 0.061 0.000 1.246 120 F CA -2.300 55.769 58.000 0.116 0.000 1.229 120 F CB -0.282 38.850 39.000 0.220 0.000 1.255 120 F HN 0.045 nan 8.300 nan 0.000 0.558 121 C N 1.207 120.575 119.300 0.113 0.000 2.686 121 C HA 0.837 5.298 4.460 0.001 0.000 0.318 121 C C -0.440 174.604 174.990 0.090 0.000 1.160 121 C CA -0.735 58.320 59.018 0.062 0.000 1.396 121 C CB 0.607 28.489 27.740 0.236 0.000 1.924 121 C HN 0.920 nan 8.230 nan 0.000 0.471 122 V N 3.487 123.412 119.914 0.018 0.000 3.083 122 V HA 0.632 4.752 4.120 0.001 0.000 0.306 122 V C 0.194 176.225 176.094 -0.106 0.000 1.077 122 V CA -0.325 61.955 62.300 -0.034 0.000 1.073 122 V CB 1.552 33.334 31.823 -0.068 0.000 1.081 122 V HN 0.863 nan 8.190 nan 0.000 0.474 123 V N 3.200 122.990 119.914 -0.206 0.000 3.020 123 V HA 0.252 4.373 4.120 0.001 0.000 0.275 123 V C -0.401 175.456 176.094 -0.395 0.000 0.868 123 V CA -0.328 61.739 62.300 -0.389 0.000 1.087 123 V CB 0.598 32.113 31.823 -0.513 0.000 0.954 123 V HN 0.700 nan 8.190 nan 0.000 0.495 124 I N 2.795 123.148 120.570 -0.362 0.000 2.845 124 I HA -0.014 4.156 4.170 0.001 0.000 0.290 124 I C 1.150 177.021 176.117 -0.409 0.000 1.202 124 I CA 0.760 61.800 61.300 -0.433 0.000 1.406 124 I CB -0.048 37.579 38.000 -0.623 0.000 1.383 124 I HN 0.454 nan 8.210 nan 0.000 0.549 125 N N 9.916 128.361 118.700 -0.425 0.000 2.292 125 N HA -0.057 4.683 4.740 0.001 0.000 0.258 125 N C -1.502 173.837 175.510 -0.285 0.000 1.261 125 N CA -0.992 51.799 53.050 -0.432 0.000 0.845 125 N CB 0.946 39.030 38.487 -0.671 0.000 1.064 125 N HN 0.332 nan 8.380 nan 0.000 0.471 126 P HA -0.010 nan 4.420 nan 0.000 0.218 126 P C -0.112 177.280 177.300 0.152 0.000 1.151 126 P CA 0.757 63.910 63.100 0.089 0.000 0.850 126 P CB 0.449 32.160 31.700 0.020 0.000 0.801 127 Y N -1.698 118.626 120.300 0.040 0.000 4.936 127 Y HA -0.199 4.352 4.550 0.001 0.000 0.260 127 Y C 0.546 176.462 175.900 0.027 0.000 0.928 127 Y CA 0.403 58.522 58.100 0.032 0.000 1.869 127 Y CB -2.082 36.405 38.460 0.045 0.000 1.344 127 Y HN 0.111 nan 8.280 nan 0.000 0.521 128 K N 0.601 121.099 120.400 0.163 0.000 2.281 128 K HA 0.527 4.847 4.320 0.001 0.000 0.242 128 K C -0.278 176.351 176.600 0.048 0.000 0.971 128 K CA -0.672 55.666 56.287 0.086 0.000 0.834 128 K CB 1.207 33.733 32.500 0.043 0.000 1.181 128 K HN -0.048 nan 8.250 nan 0.000 0.435 129 Q N 2.839 122.661 119.800 0.036 0.000 3.184 129 Q HA 0.234 4.575 4.340 0.001 0.000 0.288 129 Q C -0.402 175.584 176.000 -0.023 0.000 1.412 129 Q CA 0.000 55.826 55.803 0.038 0.000 0.991 129 Q CB -0.155 28.616 28.738 0.055 0.000 1.688 129 Q HN 0.338 nan 8.270 nan 0.000 0.554 130 L N 2.163 123.322 121.223 -0.106 0.000 2.492 130 L HA 0.128 4.468 4.340 0.001 0.000 0.280 130 L C -1.608 175.157 176.870 -0.174 0.000 1.240 130 L CA -1.261 53.383 54.840 -0.326 0.000 0.831 130 L CB 0.046 41.848 42.059 -0.428 0.000 1.100 130 L HN 0.322 nan 8.230 nan 0.000 0.505 131 P HA 0.254 nan 4.420 nan 0.000 0.201 131 P C -0.102 177.169 177.300 -0.049 0.000 1.882 131 P CA -0.085 63.005 63.100 -0.016 0.000 1.129 131 P CB -0.079 31.677 31.700 0.093 0.000 1.794 132 I N -2.249 118.166 120.570 -0.258 0.000 3.658 132 I HA 0.441 4.611 4.170 0.001 0.000 0.328 132 I C -1.231 174.631 176.117 -0.424 0.000 1.567 132 I CA -0.781 60.331 61.300 -0.313 0.000 1.078 132 I CB 0.198 37.981 38.000 -0.363 0.000 1.267 132 I HN -0.210 nan 8.210 nan 0.000 0.495 133 Y N 1.320 121.737 120.300 0.196 0.000 2.333 133 Y HA 0.722 5.273 4.550 0.001 0.000 0.324 133 Y C 0.075 176.158 175.900 0.306 0.000 1.033 133 Y CA -1.014 57.279 58.100 0.321 0.000 1.224 133 Y CB 1.556 40.152 38.460 0.228 0.000 1.120 133 Y HN 0.285 nan 8.280 nan 0.000 0.457 134 S N 1.077 117.043 115.700 0.444 0.000 2.565 134 S HA 0.306 4.777 4.470 0.001 0.000 0.274 134 S C 0.382 175.087 174.600 0.175 0.000 1.144 134 S CA -0.695 57.663 58.200 0.263 0.000 0.849 134 S CB 1.529 64.846 63.200 0.195 0.000 1.103 134 S HN 0.554 nan 8.310 nan 0.000 0.455 135 E N 2.110 122.385 120.200 0.125 0.000 2.108 135 E HA -0.227 4.123 4.350 0.001 0.000 0.203 135 E C 1.816 178.453 176.600 0.063 0.000 1.022 135 E CA 2.329 58.772 56.400 0.073 0.000 0.823 135 E CB -0.181 29.600 29.700 0.136 0.000 0.744 135 E HN 0.634 nan 8.360 nan 0.000 0.456 136 K N 0.236 120.689 120.400 0.088 0.000 2.015 136 K HA -0.222 4.099 4.320 0.001 0.000 0.216 136 K C 1.969 178.617 176.600 0.081 0.000 1.052 136 K CA 2.178 58.510 56.287 0.075 0.000 0.937 136 K CB -0.347 32.202 32.500 0.081 0.000 0.719 136 K HN 0.199 nan 8.250 nan 0.000 0.446 137 I N 1.523 122.172 120.570 0.131 0.000 2.493 137 I HA -0.234 3.936 4.170 0.001 0.000 0.254 137 I C 2.374 178.623 176.117 0.221 0.000 1.160 137 I CA 0.742 62.155 61.300 0.189 0.000 1.445 137 I CB -0.748 37.407 38.000 0.260 0.000 1.086 137 I HN 0.243 nan 8.210 nan 0.000 0.433 138 I N 1.166 121.769 120.570 0.054 0.000 2.142 138 I HA -0.277 3.894 4.170 0.001 0.000 0.240 138 I C 2.183 178.244 176.117 -0.093 0.000 1.078 138 I CA 1.680 62.865 61.300 -0.191 0.000 1.343 138 I CB -1.175 36.584 38.000 -0.401 0.000 1.046 138 I HN 0.262 nan 8.210 nan 0.000 0.405 139 D N 0.102 120.466 120.400 -0.060 0.000 2.264 139 D HA -0.135 4.506 4.640 0.001 0.000 0.208 139 D C 2.312 178.612 176.300 -0.001 0.000 0.966 139 D CA 0.773 54.750 54.000 -0.038 0.000 0.864 139 D CB 0.087 40.881 40.800 -0.009 0.000 0.933 139 D HN 0.317 nan 8.370 nan 0.000 0.499 140 M N -0.626 118.982 119.600 0.013 0.000 2.117 140 M HA -0.199 4.282 4.480 0.001 0.000 0.262 140 M C 1.646 177.881 176.300 -0.108 0.000 1.065 140 M CA 1.420 56.682 55.300 -0.064 0.000 1.114 140 M CB -0.035 32.493 32.600 -0.121 0.000 1.361 140 M HN 0.029 nan 8.290 nan 0.000 0.408 141 Y N -0.321 120.009 120.300 0.049 0.000 2.475 141 Y HA 0.043 4.594 4.550 0.001 0.000 0.289 141 Y C 0.856 176.832 175.900 0.128 0.000 1.121 141 Y CA 0.470 58.629 58.100 0.099 0.000 1.257 141 Y CB -0.124 38.444 38.460 0.180 0.000 1.026 141 Y HN 0.047 nan 8.280 nan 0.000 0.555 142 K N 0.579 121.096 120.400 0.196 0.000 2.405 142 K HA 0.092 4.412 4.320 0.001 0.000 0.276 142 K C 1.230 177.889 176.600 0.099 0.000 1.099 142 K CA 1.163 57.511 56.287 0.103 0.000 1.120 142 K CB -0.448 32.029 32.500 -0.037 0.000 0.877 142 K HN 0.502 nan 8.250 nan 0.000 0.472 143 G N 3.188 112.066 108.800 0.130 0.000 2.396 143 G HA2 -0.323 3.638 3.960 0.001 0.000 0.242 143 G HA3 -0.323 3.638 3.960 0.001 0.000 0.242 143 G C -0.077 174.865 174.900 0.071 0.000 1.069 143 G CA 0.330 45.481 45.100 0.085 0.000 0.633 143 G HN 0.572 nan 8.290 nan 0.000 0.517 144 K N 1.840 122.289 120.400 0.081 0.000 2.491 144 K HA 0.376 4.697 4.320 0.001 0.000 0.279 144 K C 0.998 177.623 176.600 0.042 0.000 1.026 144 K CA 0.386 56.702 56.287 0.048 0.000 1.070 144 K CB 0.589 33.105 32.500 0.028 0.000 0.887 144 K HN 0.607 nan 8.250 nan 0.000 0.481 145 K N 2.335 122.709 120.400 -0.043 0.000 2.251 145 K HA -0.118 4.203 4.320 0.001 0.000 0.247 145 K C 0.955 177.500 176.600 -0.092 0.000 1.098 145 K CA 0.788 56.997 56.287 -0.130 0.000 0.800 145 K CB 0.331 32.622 32.500 -0.350 0.000 1.086 145 K HN 0.424 nan 8.250 nan 0.000 0.520 146 R N -0.672 119.737 120.500 -0.151 0.000 2.075 146 R HA -0.031 4.310 4.340 0.001 0.000 0.226 146 R C 2.086 178.448 176.300 0.104 0.000 1.114 146 R CA 2.040 58.152 56.100 0.020 0.000 0.972 146 R CB -0.671 29.650 30.300 0.035 0.000 0.869 146 R HN 0.743 nan 8.270 nan 0.000 0.437 147 H N -0.319 118.833 119.070 0.137 0.000 2.547 147 H HA 0.237 4.793 4.556 0.001 0.000 0.272 147 H C 0.711 176.093 175.328 0.089 0.000 0.971 147 H CA 0.243 56.361 56.048 0.117 0.000 1.245 147 H CB -0.245 29.575 29.762 0.096 0.000 1.440 147 H HN 0.107 nan 8.280 nan 0.000 0.540 148 E N 0.750 120.998 120.200 0.079 0.000 2.510 148 E HA 0.008 4.359 4.350 0.001 0.000 0.202 148 E C 0.068 176.713 176.600 0.074 0.000 1.072 148 E CA 0.486 56.965 56.400 0.132 0.000 0.883 148 E CB 0.045 29.762 29.700 0.028 0.000 0.818 148 E HN 0.511 nan 8.360 nan 0.000 0.548 149 M N -0.134 119.503 119.600 0.062 0.000 2.949 149 M HA 0.304 4.785 4.480 0.001 0.000 0.270 149 M C -2.792 173.493 176.300 -0.025 0.000 1.221 149 M CA -1.886 53.378 55.300 -0.060 0.000 0.818 149 M CB 2.201 34.672 32.600 -0.215 0.000 1.635 149 M HN -0.291 nan 8.290 nan 0.000 0.492 150 P HA 0.418 nan 4.420 nan 0.000 0.284 150 P C -2.790 174.453 177.300 -0.096 0.000 1.258 150 P CA -1.420 61.570 63.100 -0.183 0.000 0.824 150 P CB -0.376 31.089 31.700 -0.391 0.000 1.038 151 P HA -0.044 nan 4.420 nan 0.000 0.260 151 P C -0.165 177.017 177.300 -0.197 0.000 1.172 151 P CA 1.286 64.075 63.100 -0.518 0.000 0.760 151 P CB 0.071 31.262 31.700 -0.849 0.000 0.773 152 H N 2.479 121.323 119.070 -0.377 0.000 3.037 152 H HA 0.134 4.691 4.556 0.001 0.000 0.336 152 H C 0.283 175.125 175.328 -0.810 0.000 1.323 152 H CA -0.614 54.904 56.048 -0.883 0.000 1.159 152 H CB 1.520 30.717 29.762 -0.941 0.000 1.882 152 H HN 0.144 nan 8.280 nan 0.000 0.535 153 I N 2.773 122.440 120.570 -1.505 0.000 2.142 153 I HA -0.231 3.940 4.170 0.001 0.000 0.240 153 I C 1.566 177.559 176.117 -0.206 0.000 1.078 153 I CA 1.387 62.367 61.300 -0.533 0.000 1.343 153 I CB -0.747 37.039 38.000 -0.357 0.000 1.046 153 I HN 0.567 nan 8.210 nan 0.000 0.405 154 Y N 1.094 121.388 120.300 -0.009 0.000 2.425 154 Y HA -0.231 4.320 4.550 0.001 0.000 0.285 154 Y C 2.503 178.036 175.900 -0.612 0.000 1.170 154 Y CA 0.710 58.619 58.100 -0.317 0.000 1.304 154 Y CB -1.732 36.652 38.460 -0.127 0.000 0.972 154 Y HN 0.311 nan 8.280 nan 0.000 0.558 155 A N -0.187 122.458 122.820 -0.292 0.000 1.874 155 A HA -0.055 4.266 4.320 0.001 0.000 0.214 155 A C 2.278 179.793 177.584 -0.115 0.000 1.189 155 A CA 1.122 53.061 52.037 -0.162 0.000 0.615 155 A CB -0.871 18.109 19.000 -0.034 0.000 0.830 155 A HN 0.340 nan 8.150 nan 0.000 0.443 156 I N 0.306 120.819 120.570 -0.096 0.000 2.208 156 I HA -0.296 3.874 4.170 0.001 0.000 0.245 156 I C 2.937 178.981 176.117 -0.122 0.000 1.097 156 I CA 1.168 62.419 61.300 -0.081 0.000 1.363 156 I CB -0.314 37.665 38.000 -0.035 0.000 1.051 156 I HN 0.336 nan 8.210 nan 0.000 0.413 157 A N 0.074 122.770 122.820 -0.207 0.000 1.865 157 A HA -0.310 4.010 4.320 0.001 0.000 0.217 157 A C 2.229 179.681 177.584 -0.221 0.000 1.191 157 A CA 2.271 54.159 52.037 -0.249 0.000 0.623 157 A CB -0.811 17.928 19.000 -0.434 0.000 0.826 157 A HN 0.495 nan 8.150 nan 0.000 0.444 158 D N -1.175 119.012 120.400 -0.354 0.000 2.178 158 D HA -0.105 4.535 4.640 0.001 0.000 0.202 158 D C 1.750 178.068 176.300 0.030 0.000 0.974 158 D CA 1.698 55.675 54.000 -0.039 0.000 0.841 158 D CB -0.007 40.839 40.800 0.077 0.000 0.953 158 D HN 0.384 nan 8.370 nan 0.000 0.478 159 T N 0.378 114.913 114.554 -0.031 0.000 2.788 159 T HA -0.079 4.271 4.350 0.001 0.000 0.268 159 T C 1.898 176.571 174.700 -0.044 0.000 1.044 159 T CA 1.389 63.470 62.100 -0.032 0.000 1.139 159 T CB -0.112 68.724 68.868 -0.053 0.000 0.867 159 T HN 0.238 nan 8.240 nan 0.000 0.454 160 A N 0.815 123.610 122.820 -0.041 0.000 1.835 160 A HA 0.021 4.341 4.320 0.001 0.000 0.213 160 A C 2.038 179.590 177.584 -0.054 0.000 1.210 160 A CA 1.199 53.207 52.037 -0.050 0.000 0.605 160 A CB -1.273 17.703 19.000 -0.040 0.000 0.860 160 A HN 0.524 nan 8.150 nan 0.000 0.447 161 Y N 1.005 121.236 120.300 -0.115 0.000 2.332 161 Y HA -0.312 4.239 4.550 0.001 0.000 0.283 161 Y C 2.288 178.069 175.900 -0.199 0.000 1.186 161 Y CA 2.355 60.348 58.100 -0.179 0.000 1.266 161 Y CB -0.260 38.098 38.460 -0.170 0.000 0.973 161 Y HN 0.387 nan 8.280 nan 0.000 0.548 162 R N -0.929 119.380 120.500 -0.319 0.000 2.062 162 R HA 0.003 4.343 4.340 0.001 0.000 0.218 162 R C 2.618 178.749 176.300 -0.281 0.000 1.161 162 R CA 1.237 57.123 56.100 -0.357 0.000 0.994 162 R CB -0.996 29.223 30.300 -0.134 0.000 0.888 162 R HN 0.138 nan 8.270 nan 0.000 0.442 163 S N 0.664 116.260 115.700 -0.173 0.000 2.409 163 S HA -0.298 4.173 4.470 0.001 0.000 0.237 163 S C 1.841 176.344 174.600 -0.163 0.000 1.060 163 S CA 1.951 60.070 58.200 -0.135 0.000 1.052 163 S CB -0.381 62.759 63.200 -0.100 0.000 0.871 163 S HN 0.521 nan 8.310 nan 0.000 0.465 164 M N 0.440 119.912 119.600 -0.212 0.000 2.059 164 M HA -0.124 4.356 4.480 0.001 0.000 0.259 164 M C 1.715 177.890 176.300 -0.209 0.000 1.072 164 M CA 1.876 57.055 55.300 -0.201 0.000 1.117 164 M CB -0.402 32.073 32.600 -0.209 0.000 1.320 164 M HN 0.306 nan 8.290 nan 0.000 0.408 165 L N 0.365 121.397 121.223 -0.319 0.000 2.456 165 L HA -0.128 4.212 4.340 0.001 0.000 0.224 165 L C 2.635 179.397 176.870 -0.180 0.000 1.148 165 L CA 0.468 55.144 54.840 -0.272 0.000 0.825 165 L CB -0.636 41.182 42.059 -0.401 0.000 0.937 165 L HN 0.430 nan 8.230 nan 0.000 0.450 166 Q N 0.410 120.111 119.800 -0.165 0.000 2.042 166 Q HA -0.089 4.252 4.340 0.001 0.000 0.194 166 Q C 1.213 177.161 176.000 -0.086 0.000 0.978 166 Q CA 1.553 57.288 55.803 -0.113 0.000 0.828 166 Q CB -0.159 28.518 28.738 -0.101 0.000 0.901 166 Q HN 0.604 nan 8.270 nan 0.000 0.461 167 D N -0.563 119.787 120.400 -0.083 0.000 2.358 167 D HA 0.087 4.727 4.640 0.001 0.000 0.224 167 D C -0.691 175.571 176.300 -0.063 0.000 1.123 167 D CA -0.323 53.638 54.000 -0.065 0.000 0.833 167 D CB -0.322 40.443 40.800 -0.059 0.000 0.946 167 D HN 0.027 nan 8.370 nan 0.000 0.505 168 R N 0.806 121.264 120.500 -0.071 0.000 2.607 168 R HA -0.232 4.108 4.340 0.001 0.000 0.261 168 R C -0.395 175.875 176.300 -0.050 0.000 0.918 168 R CA 0.939 57.005 56.100 -0.057 0.000 0.760 168 R CB -1.742 28.536 30.300 -0.037 0.000 1.899 168 R HN 0.640 nan 8.270 nan 0.000 0.528 169 E N 1.599 121.758 120.200 -0.067 0.000 2.481 169 E HA 0.101 4.452 4.350 0.001 0.000 0.301 169 E C -1.208 175.320 176.600 -0.120 0.000 0.948 169 E CA -0.820 55.537 56.400 -0.072 0.000 0.804 169 E CB 1.363 31.024 29.700 -0.066 0.000 1.265 169 E HN 0.208 nan 8.360 nan 0.000 0.406 170 D N 3.023 123.327 120.400 -0.161 0.000 2.400 170 D HA 0.088 4.729 4.640 0.001 0.000 0.238 170 D C -0.122 175.977 176.300 -0.334 0.000 1.157 170 D CA 0.632 54.412 54.000 -0.366 0.000 0.889 170 D CB 0.926 41.344 40.800 -0.637 0.000 1.199 170 D HN 0.388 nan 8.370 nan 0.000 0.436 171 Q N -0.103 119.457 119.800 -0.400 0.000 2.495 171 Q HA 0.544 4.885 4.340 0.001 0.000 0.287 171 Q C -0.902 174.959 176.000 -0.232 0.000 1.078 171 Q CA -0.949 54.706 55.803 -0.247 0.000 0.793 171 Q CB 2.198 30.840 28.738 -0.159 0.000 1.459 171 Q HN 0.496 nan 8.270 nan 0.000 0.422 172 S N -0.228 115.382 115.700 -0.149 0.000 2.541 172 S HA 0.742 5.213 4.470 0.001 0.000 0.280 172 S C -0.720 173.793 174.600 -0.144 0.000 1.112 172 S CA -0.724 57.413 58.200 -0.104 0.000 0.925 172 S CB 0.949 64.131 63.200 -0.031 0.000 1.067 172 S HN 0.516 nan 8.310 nan 0.000 0.479 173 I N 2.703 123.200 120.570 -0.121 0.000 2.390 173 I HA 0.327 4.498 4.170 0.001 0.000 0.283 173 I C -1.094 174.959 176.117 -0.106 0.000 1.016 173 I CA -0.604 60.624 61.300 -0.120 0.000 1.151 173 I CB 1.225 39.181 38.000 -0.073 0.000 1.293 173 I HN 0.536 nan 8.210 nan 0.000 0.458 174 L N 6.033 127.161 121.223 -0.159 0.000 2.264 174 L HA 0.422 4.763 4.340 0.001 0.000 0.287 174 L C -0.545 176.348 176.870 0.040 0.000 1.039 174 L CA -0.531 54.268 54.840 -0.069 0.000 0.829 174 L CB 0.837 42.809 42.059 -0.143 0.000 1.211 174 L HN 0.576 nan 8.230 nan 0.000 0.427 175 C N 2.426 121.746 119.300 0.035 0.000 2.322 175 C HA 0.375 4.835 4.460 0.001 0.000 0.343 175 C C 1.521 176.536 174.990 0.042 0.000 1.190 175 C CA -0.572 58.467 59.018 0.035 0.000 1.704 175 C CB -0.494 27.246 27.740 -0.001 0.000 2.293 175 C HN 0.897 nan 8.230 nan 0.000 0.523 176 T N 1.210 115.794 114.554 0.051 0.000 3.133 176 T HA 0.753 5.104 4.350 0.001 0.000 0.329 176 T C 0.469 175.162 174.700 -0.011 0.000 1.248 176 T CA 0.512 62.626 62.100 0.023 0.000 0.933 176 T CB 0.401 69.255 68.868 -0.024 0.000 1.943 176 T HN 2.016 nan 8.240 nan 0.000 0.572 177 G N 0.748 109.535 108.800 -0.022 0.000 2.785 177 G HA2 0.103 4.064 3.960 0.001 0.000 0.686 177 G HA3 0.103 4.064 3.960 0.001 0.000 0.686 177 G C -0.488 174.407 174.900 -0.007 0.000 1.155 177 G CA -0.218 44.854 45.100 -0.046 0.000 0.760 177 G HN 1.214 nan 8.290 nan 0.000 0.624 178 E N 0.462 120.644 120.200 -0.030 0.000 2.425 178 E HA 0.484 4.834 4.350 0.001 0.000 0.258 178 E C 0.935 177.555 176.600 0.034 0.000 1.151 178 E CA 0.067 56.480 56.400 0.022 0.000 0.958 178 E CB 0.715 30.400 29.700 -0.024 0.000 0.968 178 E HN 1.325 nan 8.360 nan 0.000 0.451 179 S N 1.294 117.039 115.700 0.074 0.000 2.575 179 S HA 0.289 4.759 4.470 0.001 0.000 0.295 179 S C 1.106 175.731 174.600 0.041 0.000 1.267 179 S CA 0.691 58.918 58.200 0.045 0.000 1.074 179 S CB -0.762 62.454 63.200 0.026 0.000 0.829 179 S HN 1.149 nan 8.310 nan 0.000 0.497 180 G N 3.855 112.670 108.800 0.025 0.000 2.284 180 G HA2 -0.247 3.713 3.960 0.001 0.000 0.230 180 G HA3 -0.247 3.713 3.960 0.001 0.000 0.230 180 G C 1.017 175.892 174.900 -0.042 0.000 1.021 180 G CA 0.292 45.412 45.100 0.034 0.000 0.619 180 G HN 1.709 nan 8.290 nan 0.000 0.510 181 A N 0.685 123.458 122.820 -0.078 0.000 2.285 181 A HA 0.428 4.749 4.320 0.001 0.000 0.214 181 A C 2.667 180.148 177.584 -0.172 0.000 1.188 181 A CA 2.219 54.163 52.037 -0.154 0.000 0.707 181 A CB -0.967 17.951 19.000 -0.137 0.000 0.771 181 A HN 2.659 nan 8.150 nan 0.000 0.488 182 G N -1.508 107.216 108.800 -0.127 0.000 2.131 182 G HA2 -0.272 3.688 3.960 0.001 0.000 0.223 182 G HA3 -0.272 3.688 3.960 0.001 0.000 0.223 182 G C 0.744 175.585 174.900 -0.098 0.000 0.990 182 G CA 0.744 45.769 45.100 -0.125 0.000 0.671 182 G HN 0.480 nan 8.290 nan 0.000 0.521 183 K N -0.120 120.235 120.400 -0.075 0.000 2.127 183 K HA -0.087 4.234 4.320 0.001 0.000 0.208 183 K C 2.716 179.282 176.600 -0.056 0.000 1.047 183 K CA 2.414 58.668 56.287 -0.056 0.000 0.927 183 K CB -0.297 32.179 32.500 -0.039 0.000 0.716 183 K HN 0.489 nan 8.250 nan 0.000 0.450 184 T N 0.675 115.191 114.554 -0.063 0.000 2.643 184 T HA -0.097 4.253 4.350 0.001 0.000 0.256 184 T C 1.414 176.075 174.700 -0.065 0.000 1.061 184 T CA 1.031 63.093 62.100 -0.064 0.000 1.163 184 T CB -0.229 68.597 68.868 -0.070 0.000 0.865 184 T HN 0.198 nan 8.240 nan 0.000 0.407 185 E N 1.823 121.979 120.200 -0.073 0.000 2.082 185 E HA -0.239 4.112 4.350 0.001 0.000 0.215 185 E C 2.058 178.593 176.600 -0.108 0.000 1.048 185 E CA 1.300 57.642 56.400 -0.096 0.000 0.869 185 E CB -0.825 28.812 29.700 -0.106 0.000 0.773 185 E HN 0.500 nan 8.360 nan 0.000 0.466 186 N N 0.026 118.670 118.700 -0.093 0.000 2.322 186 N HA -0.134 4.606 4.740 0.001 0.000 0.189 186 N C 1.631 177.115 175.510 -0.043 0.000 1.012 186 N CA 1.366 54.379 53.050 -0.061 0.000 0.880 186 N CB -0.110 38.354 38.487 -0.039 0.000 0.967 186 N HN 0.206 nan 8.380 nan 0.000 0.439 187 T N 0.871 115.397 114.554 -0.047 0.000 2.939 187 T HA 0.041 4.392 4.350 0.001 0.000 0.254 187 T C 1.798 176.479 174.700 -0.031 0.000 1.041 187 T CA 0.514 62.593 62.100 -0.035 0.000 1.142 187 T CB 0.163 69.010 68.868 -0.035 0.000 0.874 187 T HN 0.194 nan 8.240 nan 0.000 0.452 188 K N 1.127 121.499 120.400 -0.046 0.000 2.152 188 K HA -0.086 4.235 4.320 0.001 0.000 0.206 188 K C 2.252 178.838 176.600 -0.024 0.000 1.048 188 K CA 0.872 57.133 56.287 -0.043 0.000 0.933 188 K CB 0.010 32.475 32.500 -0.058 0.000 0.721 188 K HN 0.201 nan 8.250 nan 0.000 0.447 189 K N 0.671 121.053 120.400 -0.030 0.000 1.991 189 K HA -0.060 4.261 4.320 0.001 0.000 0.207 189 K C 2.240 178.940 176.600 0.168 0.000 1.045 189 K CA 0.892 57.222 56.287 0.071 0.000 0.937 189 K CB -0.725 31.753 32.500 -0.038 0.000 0.720 189 K HN -0.049 nan 8.250 nan 0.000 0.438 190 V N 2.614 122.583 119.914 0.091 0.000 2.363 190 V HA -0.270 3.851 4.120 0.001 0.000 0.254 190 V C 2.380 178.524 176.094 0.084 0.000 1.074 190 V CA 1.729 64.074 62.300 0.076 0.000 1.069 190 V CB -0.572 31.259 31.823 0.014 0.000 0.659 190 V HN 0.241 nan 8.190 nan 0.000 0.455 191 I N -0.521 120.076 120.570 0.045 0.000 2.333 191 I HA -0.224 3.947 4.170 0.001 0.000 0.246 191 I C 2.642 178.770 176.117 0.019 0.000 1.106 191 I CA 1.594 62.905 61.300 0.019 0.000 1.411 191 I CB -0.629 37.357 38.000 -0.023 0.000 1.082 191 I HN 0.400 nan 8.210 nan 0.000 0.420 192 Q N 1.056 120.874 119.800 0.030 0.000 2.096 192 Q HA -0.307 4.033 4.340 0.001 0.000 0.208 192 Q C 2.345 178.348 176.000 0.004 0.000 0.993 192 Q CA 2.329 58.140 55.803 0.013 0.000 0.862 192 Q CB -0.400 28.388 28.738 0.083 0.000 0.915 192 Q HN 0.538 nan 8.270 nan 0.000 0.416 193 Y N 0.627 120.867 120.300 -0.099 0.000 2.084 193 Y HA -0.196 4.355 4.550 0.001 0.000 0.279 193 Y C 2.037 177.817 175.900 -0.199 0.000 1.119 193 Y CA 1.736 59.693 58.100 -0.238 0.000 1.101 193 Y CB -0.614 37.735 38.460 -0.184 0.000 0.989 193 Y HN 0.142 nan 8.280 nan 0.000 0.484 194 L N 0.461 121.812 121.223 0.212 0.000 2.263 194 L HA -0.253 4.088 4.340 0.001 0.000 0.216 194 L C 2.497 179.321 176.870 -0.077 0.000 1.111 194 L CA 1.492 56.347 54.840 0.026 0.000 0.773 194 L CB -0.779 41.335 42.059 0.091 0.000 0.906 194 L HN 0.441 nan 8.230 nan 0.000 0.439 195 A N -1.889 120.892 122.820 -0.066 0.000 2.119 195 A HA -0.058 4.262 4.320 0.001 0.000 0.217 195 A C 2.269 179.826 177.584 -0.045 0.000 1.153 195 A CA 1.650 53.647 52.037 -0.067 0.000 0.692 195 A CB -0.179 18.741 19.000 -0.134 0.000 0.799 195 A HN 0.247 nan 8.150 nan 0.000 0.458 196 V N -1.662 118.153 119.914 -0.165 0.000 3.090 196 V HA -0.008 4.113 4.120 0.001 0.000 0.237 196 V C 2.128 177.988 176.094 -0.389 0.000 1.209 196 V CA 1.126 63.236 62.300 -0.317 0.000 1.209 196 V CB 0.448 31.962 31.823 -0.516 0.000 0.971 196 V HN 0.188 nan 8.190 nan 0.000 0.477 197 V N 0.879 120.498 119.914 -0.492 0.000 2.759 197 V HA -0.008 4.112 4.120 0.001 0.000 0.256 197 V C 2.141 177.970 176.094 -0.441 0.000 1.080 197 V CA 1.921 63.915 62.300 -0.509 0.000 1.101 197 V CB -0.293 31.069 31.823 -0.768 0.000 0.698 197 V HN 0.585 nan 8.190 nan 0.000 0.477 198 A N -0.585 121.977 122.820 -0.430 0.000 2.456 198 A HA 0.302 4.622 4.320 0.001 0.000 0.237 198 A C 1.310 178.765 177.584 -0.214 0.000 1.217 198 A CA 0.595 52.354 52.037 -0.463 0.000 0.962 198 A CB 0.123 18.678 19.000 -0.741 0.000 1.079 198 A HN 0.502 nan 8.150 nan 0.000 0.536 199 S N -0.223 115.411 115.700 -0.109 0.000 2.596 199 S HA 0.412 4.882 4.470 0.001 0.000 0.260 199 S C 0.377 175.018 174.600 0.068 0.000 1.336 199 S CA 0.357 58.571 58.200 0.024 0.000 0.993 199 S CB 0.840 64.057 63.200 0.027 0.000 0.923 199 S HN 0.306 nan 8.310 nan 0.000 0.567 200 S N 0.819 116.594 115.700 0.125 0.000 2.565 200 S HA 0.431 4.901 4.470 0.001 0.000 0.290 200 S C -0.403 174.149 174.600 -0.080 0.000 1.150 200 S CA -0.846 57.346 58.200 -0.013 0.000 1.058 200 S CB 0.099 63.271 63.200 -0.046 0.000 1.032 200 S HN 0.837 nan 8.310 nan 0.000 0.510 201 H N 1.365 120.519 119.070 0.141 0.000 2.525 201 H HA 0.412 4.969 4.556 0.001 0.000 0.340 201 H C -0.319 175.051 175.328 0.071 0.000 1.168 201 H CA -0.957 55.160 56.048 0.115 0.000 1.247 201 H CB 0.988 30.826 29.762 0.126 0.000 1.568 201 H HN 0.480 nan 8.280 nan 0.000 0.536 202 K N 1.075 121.607 120.400 0.220 0.000 2.911 202 K HA 0.184 4.505 4.320 0.001 0.000 0.239 202 K C 0.659 177.314 176.600 0.091 0.000 1.090 202 K CA 0.555 56.916 56.287 0.123 0.000 1.225 202 K CB -0.653 31.897 32.500 0.085 0.000 1.087 202 K HN 0.952 nan 8.250 nan 0.000 0.464 203 G N 0.536 109.407 108.800 0.118 0.000 2.848 203 G HA2 -0.283 3.678 3.960 0.001 0.000 0.246 203 G HA3 -0.283 3.678 3.960 0.001 0.000 0.246 203 G C -1.166 173.674 174.900 -0.101 0.000 1.374 203 G CA -0.330 44.768 45.100 -0.003 0.000 0.982 203 G HN 0.371 nan 8.290 nan 0.000 0.563 212 G N 3.607 112.473 108.800 0.109 0.000 2.611 212 G HA2 -0.315 3.646 3.960 0.001 0.000 0.301 212 G HA3 -0.315 3.646 3.960 0.001 0.000 0.301 212 G C -1.474 173.516 174.900 0.150 0.000 1.233 212 G CA 0.320 45.501 45.100 0.135 0.000 0.993 212 G HN 0.537 nan 8.290 nan 0.000 0.553 213 P HA 0.120 nan 4.420 nan 0.000 0.234 213 P C 0.643 178.065 177.300 0.204 0.000 1.167 213 P CA 1.033 64.249 63.100 0.194 0.000 0.763 213 P CB -0.136 31.668 31.700 0.173 0.000 0.835 214 S N 0.889 116.676 115.700 0.145 0.000 2.589 214 S HA 0.206 4.676 4.470 0.001 0.000 0.306 214 S C -0.238 174.435 174.600 0.123 0.000 1.221 214 S CA 0.657 58.920 58.200 0.106 0.000 1.159 214 S CB -1.261 61.970 63.200 0.052 0.000 0.990 214 S HN 0.137 nan 8.310 nan 0.000 0.514 215 F N 2.014 121.890 119.950 -0.123 0.000 2.689 215 F HA 0.200 4.728 4.527 0.001 0.000 0.314 215 F C -0.582 174.981 175.800 -0.395 0.000 1.068 215 F CA -0.911 56.898 58.000 -0.319 0.000 1.023 215 F CB 0.609 39.283 39.000 -0.542 0.000 1.264 215 F HN 0.330 nan 8.300 nan 0.000 0.474 216 S N 5.565 121.278 115.700 0.022 0.000 2.399 216 S HA 0.595 5.066 4.470 0.001 0.000 0.301 216 S C -0.762 173.981 174.600 0.239 0.000 1.093 216 S CA -0.294 57.976 58.200 0.117 0.000 1.077 216 S CB -0.089 63.126 63.200 0.026 0.000 0.980 216 S HN 0.427 nan 8.310 nan 0.000 0.494 217 Y N 2.869 123.326 120.300 0.261 0.000 2.282 217 Y HA 0.558 5.108 4.550 0.001 0.000 0.335 217 Y C 1.767 177.733 175.900 0.111 0.000 1.335 217 Y CA -0.002 58.184 58.100 0.144 0.000 1.529 217 Y CB -0.210 38.258 38.460 0.014 0.000 1.429 217 Y HN 0.814 nan 8.280 nan 0.000 0.563 218 G N 0.094 109.045 108.800 0.252 0.000 2.527 218 G HA2 0.041 4.002 3.960 0.001 0.000 0.279 218 G HA3 0.041 4.002 3.960 0.001 0.000 0.279 218 G C 0.197 175.168 174.900 0.120 0.000 1.374 218 G CA -0.199 44.993 45.100 0.153 0.000 1.053 218 G HN 0.730 nan 8.290 nan 0.000 0.539 219 E N -1.380 118.865 120.200 0.074 0.000 2.140 219 E HA 0.042 4.392 4.350 0.001 0.000 0.191 219 E C 2.305 178.919 176.600 0.023 0.000 0.973 219 E CA 0.084 56.512 56.400 0.048 0.000 0.829 219 E CB -0.091 29.629 29.700 0.034 0.000 0.781 219 E HN 0.263 nan 8.360 nan 0.000 0.466 220 L N 0.899 122.133 121.223 0.018 0.000 2.127 220 L HA -0.006 4.334 4.340 0.001 0.000 0.203 220 L C 1.431 178.288 176.870 -0.022 0.000 1.080 220 L CA 1.527 56.363 54.840 -0.007 0.000 0.768 220 L CB -0.034 42.023 42.059 -0.004 0.000 0.924 220 L HN -0.089 nan 8.230 nan 0.000 0.444 221 E N -0.303 119.895 120.200 -0.003 0.000 2.267 221 E HA -0.248 4.103 4.350 0.001 0.000 0.197 221 E C 2.033 178.570 176.600 -0.105 0.000 0.998 221 E CA 1.027 57.404 56.400 -0.038 0.000 0.830 221 E CB -0.161 29.550 29.700 0.018 0.000 0.751 221 E HN 0.366 nan 8.360 nan 0.000 0.491 222 K N 0.406 120.776 120.400 -0.050 0.000 2.002 222 K HA -0.179 4.142 4.320 0.001 0.000 0.209 222 K C 2.152 178.689 176.600 -0.105 0.000 1.048 222 K CA 1.492 57.736 56.287 -0.071 0.000 0.930 222 K CB 0.036 32.536 32.500 -0.001 0.000 0.714 222 K HN 0.059 nan 8.250 nan 0.000 0.438 223 Q N -0.027 119.723 119.800 -0.084 0.000 2.016 223 Q HA -0.119 4.221 4.340 0.001 0.000 0.200 223 Q C 1.927 177.859 176.000 -0.114 0.000 0.978 223 Q CA 1.183 56.926 55.803 -0.101 0.000 0.833 223 Q CB -0.164 28.521 28.738 -0.088 0.000 0.895 223 Q HN 0.183 nan 8.270 nan 0.000 0.427 224 L N 0.449 121.610 121.223 -0.103 0.000 2.197 224 L HA -0.207 4.133 4.340 0.001 0.000 0.215 224 L C 1.691 178.490 176.870 -0.119 0.000 1.095 224 L CA 1.565 56.344 54.840 -0.102 0.000 0.764 224 L CB -0.444 41.561 42.059 -0.089 0.000 0.897 224 L HN 0.221 nan 8.230 nan 0.000 0.436 225 L N -1.364 119.767 121.223 -0.153 0.000 2.127 225 L HA -0.030 4.311 4.340 0.001 0.000 0.203 225 L C 2.284 179.074 176.870 -0.134 0.000 1.080 225 L CA 1.288 56.024 54.840 -0.173 0.000 0.768 225 L CB -0.638 41.256 42.059 -0.275 0.000 0.924 225 L HN 0.301 nan 8.230 nan 0.000 0.444 226 Q N -1.083 118.639 119.800 -0.131 0.000 2.444 226 Q HA 0.167 4.507 4.340 0.001 0.000 0.206 226 Q C 1.825 177.746 176.000 -0.132 0.000 0.948 226 Q CA 0.740 56.469 55.803 -0.123 0.000 0.946 226 Q CB 0.001 28.662 28.738 -0.128 0.000 1.027 226 Q HN 0.475 nan 8.270 nan 0.000 0.513 227 A N 0.387 123.134 122.820 -0.123 0.000 1.832 227 A HA -0.156 4.165 4.320 0.001 0.000 0.214 227 A C 1.942 179.479 177.584 -0.079 0.000 1.204 227 A CA 1.270 53.237 52.037 -0.118 0.000 0.606 227 A CB -0.668 18.271 19.000 -0.101 0.000 0.849 227 A HN 0.396 nan 8.150 nan 0.000 0.445 228 N N -0.010 118.661 118.700 -0.049 0.000 2.132 228 N HA -0.132 4.609 4.740 0.001 0.000 0.191 228 N C -0.998 174.506 175.510 -0.011 0.000 1.015 228 N CA 1.938 54.984 53.050 -0.008 0.000 0.864 228 N CB -0.792 37.688 38.487 -0.012 0.000 1.006 228 N HN 0.362 nan 8.380 nan 0.000 0.430 229 P HA -0.011 nan 4.420 nan 0.000 0.237 229 P C 1.426 178.680 177.300 -0.076 0.000 1.178 229 P CA 0.636 63.714 63.100 -0.037 0.000 0.766 229 P CB 0.183 31.859 31.700 -0.040 0.000 0.876 230 I N -0.393 120.111 120.570 -0.109 0.000 2.522 230 I HA -0.070 4.100 4.170 0.001 0.000 0.240 230 I C 2.445 178.450 176.117 -0.187 0.000 1.078 230 I CA 0.549 61.736 61.300 -0.189 0.000 1.422 230 I CB -0.510 37.382 38.000 -0.180 0.000 1.188 230 I HN -0.275 nan 8.210 nan 0.000 0.442 231 L N 0.337 121.536 121.223 -0.040 0.000 2.263 231 L HA -0.242 4.099 4.340 0.001 0.000 0.216 231 L C 2.133 179.151 176.870 0.247 0.000 1.111 231 L CA 1.383 56.294 54.840 0.118 0.000 0.773 231 L CB -0.950 41.253 42.059 0.240 0.000 0.906 231 L HN 0.405 nan 8.230 nan 0.000 0.439 232 E N 0.201 120.459 120.200 0.097 0.000 2.274 232 E HA -0.129 4.222 4.350 0.001 0.000 0.194 232 E C 2.146 178.702 176.600 -0.073 0.000 0.996 232 E CA 0.825 57.260 56.400 0.058 0.000 0.840 232 E CB 0.123 29.831 29.700 0.013 0.000 0.772 232 E HN 0.535 nan 8.360 nan 0.000 0.491 233 A N 1.448 124.135 122.820 -0.220 0.000 1.822 233 A HA -0.093 4.227 4.320 0.001 0.000 0.214 233 A C 0.746 178.212 177.584 -0.196 0.000 1.245 233 A CA 0.693 52.476 52.037 -0.423 0.000 0.608 233 A CB -0.853 17.629 19.000 -0.863 0.000 0.896 233 A HN 0.174 nan 8.150 nan 0.000 0.457 234 F N 0.432 120.434 119.950 0.088 0.000 2.677 234 F HA 0.487 5.014 4.527 0.001 0.000 0.358 234 F C 1.334 177.317 175.800 0.304 0.000 1.266 234 F CA 0.148 58.230 58.000 0.138 0.000 1.262 234 F CB -0.707 38.267 39.000 -0.042 0.000 1.684 234 F HN 0.348 nan 8.300 nan 0.000 0.671 235 G N 0.869 110.039 108.800 0.617 0.000 3.990 235 G HA2 -0.040 3.921 3.960 0.001 0.000 0.213 235 G HA3 -0.040 3.921 3.960 0.001 0.000 0.213 235 G C -0.285 175.005 174.900 0.649 0.000 0.849 235 G CA -0.569 44.964 45.100 0.722 0.000 0.857 235 G HN 0.435 nan 8.290 nan 0.000 0.484 236 N N 0.348 119.175 118.700 0.212 0.000 2.319 236 N HA 0.807 5.548 4.740 0.001 0.000 0.305 236 N C -0.443 174.836 175.510 -0.384 0.000 1.103 236 N CA 0.311 53.259 53.050 -0.170 0.000 0.815 236 N CB 2.312 40.584 38.487 -0.358 0.000 1.288 236 N HN 0.609 nan 8.380 nan 0.000 0.493 237 A N 0.758 123.441 122.820 -0.230 0.000 2.594 237 A HA 0.462 4.782 4.320 0.001 0.000 0.296 237 A C -1.211 176.408 177.584 0.058 0.000 1.061 237 A CA -0.874 51.162 52.037 -0.002 0.000 0.689 237 A CB 0.874 19.751 19.000 -0.206 0.000 1.280 237 A HN 0.668 nan 8.150 nan 0.000 0.406 238 K N 0.993 121.465 120.400 0.119 0.000 2.472 238 K HA 0.387 4.708 4.320 0.001 0.000 0.280 238 K C 0.192 176.791 176.600 -0.001 0.000 1.028 238 K CA 1.314 57.627 56.287 0.045 0.000 1.045 238 K CB 0.191 32.675 32.500 -0.026 0.000 0.902 238 K HN 1.114 nan 8.250 nan 0.000 0.478 239 T N 0.446 115.016 114.554 0.027 0.000 2.883 239 T HA 0.208 4.558 4.350 0.001 0.000 0.296 239 T C 0.807 175.563 174.700 0.093 0.000 1.117 239 T CA -0.454 61.662 62.100 0.027 0.000 1.006 239 T CB 1.143 70.053 68.868 0.069 0.000 1.191 239 T HN 0.627 nan 8.240 nan 0.000 0.508 240 V N 0.127 120.117 119.914 0.126 0.000 3.284 240 V HA 0.138 4.258 4.120 0.001 0.000 0.273 240 V C 1.272 177.474 176.094 0.179 0.000 1.178 240 V CA 1.256 63.648 62.300 0.153 0.000 1.177 240 V CB -1.393 30.547 31.823 0.195 0.000 0.793 240 V HN 0.857 nan 8.190 nan 0.000 0.536 241 K N 0.409 120.938 120.400 0.214 0.000 2.502 241 K HA 0.279 4.599 4.320 0.001 0.000 0.211 241 K C 0.127 176.813 176.600 0.144 0.000 1.259 241 K CA 0.277 56.664 56.287 0.167 0.000 0.983 241 K CB 0.530 33.118 32.500 0.146 0.000 1.054 241 K HN 0.576 nan 8.250 nan 0.000 0.572 242 N N 1.165 119.942 118.700 0.128 0.000 2.777 242 N HA 0.015 4.755 4.740 0.001 0.000 0.260 242 N C -0.459 175.104 175.510 0.088 0.000 1.113 242 N CA -0.081 53.034 53.050 0.107 0.000 0.996 242 N CB 1.219 39.768 38.487 0.104 0.000 1.584 242 N HN -0.197 nan 8.380 nan 0.000 0.573 243 D N 1.588 122.032 120.400 0.074 0.000 2.203 243 D HA -0.190 4.450 4.640 0.001 0.000 0.199 243 D C 0.118 176.503 176.300 0.141 0.000 0.997 243 D CA 1.515 55.555 54.000 0.067 0.000 0.863 243 D CB 0.082 40.905 40.800 0.038 0.000 0.928 243 D HN 0.699 nan 8.370 nan 0.000 0.458 244 N N -0.129 118.659 118.700 0.146 0.000 2.752 244 N HA 0.058 4.799 4.740 0.001 0.000 0.260 244 N C -1.457 174.078 175.510 0.042 0.000 1.562 244 N CA -0.149 53.008 53.050 0.178 0.000 0.788 244 N CB 0.859 39.476 38.487 0.216 0.000 1.192 244 N HN -0.254 nan 8.380 nan 0.000 0.503 245 S N 0.536 116.248 115.700 0.020 0.000 2.565 245 S HA 0.285 4.755 4.470 0.001 0.000 0.274 245 S C -0.031 174.511 174.600 -0.096 0.000 1.309 245 S CA -0.411 57.778 58.200 -0.019 0.000 1.043 245 S CB 0.529 63.741 63.200 0.021 0.000 0.939 245 S HN 0.446 nan 8.310 nan 0.000 0.504 246 S N 3.778 119.394 115.700 -0.140 0.000 2.414 246 S HA 0.201 4.672 4.470 0.001 0.000 0.290 246 S C 0.699 175.150 174.600 -0.248 0.000 1.160 246 S CA -0.437 57.583 58.200 -0.300 0.000 1.069 246 S CB 0.251 63.226 63.200 -0.374 0.000 1.012 246 S HN 0.523 nan 8.310 nan 0.000 0.510 247 R N 2.303 122.730 120.500 -0.122 0.000 2.346 247 R HA 0.240 4.581 4.340 0.001 0.000 0.225 247 R C -0.550 175.876 176.300 0.211 0.000 0.987 247 R CA -0.206 55.939 56.100 0.075 0.000 1.106 247 R CB -0.849 29.558 30.300 0.178 0.000 1.090 247 R HN 0.647 nan 8.270 nan 0.000 0.502 248 F N -4.889 115.074 119.950 0.021 0.000 2.669 248 F HA 0.552 5.080 4.527 0.001 0.000 0.315 248 F C 0.164 176.028 175.800 0.107 0.000 1.109 248 F CA -1.907 56.109 58.000 0.027 0.000 1.028 248 F CB 0.285 39.246 39.000 -0.064 0.000 1.287 248 F HN -0.104 nan 8.300 nan 0.000 0.452 249 G N 2.080 111.033 108.800 0.255 0.000 2.544 249 G HA2 0.447 4.407 3.960 0.001 0.000 0.242 249 G HA3 0.447 4.407 3.960 0.001 0.000 0.242 249 G C -1.204 174.060 174.900 0.607 0.000 1.247 249 G CA -0.466 44.794 45.100 0.268 0.000 0.840 249 G HN 1.103 nan 8.290 nan 0.000 0.578 250 K N 0.317 121.004 120.400 0.479 0.000 2.525 250 K HA 0.532 4.853 4.320 0.001 0.000 0.254 250 K C -2.139 174.755 176.600 0.490 0.000 0.934 250 K CA -0.988 55.608 56.287 0.515 0.000 0.802 250 K CB 1.774 34.498 32.500 0.373 0.000 1.295 250 K HN 0.350 nan 8.250 nan 0.000 0.433 251 F N 5.299 125.443 119.950 0.323 0.000 2.532 251 F HA 0.456 4.983 4.527 0.001 0.000 0.365 251 F C -1.426 174.444 175.800 0.116 0.000 1.112 251 F CA -0.944 57.193 58.000 0.228 0.000 1.082 251 F CB 0.644 39.833 39.000 0.316 0.000 1.319 251 F HN 0.475 nan 8.300 nan 0.000 0.457 252 I N 5.356 125.810 120.570 -0.194 0.000 2.474 252 I HA 0.389 4.559 4.170 0.001 0.000 0.287 252 I C 0.061 175.963 176.117 -0.359 0.000 1.048 252 I CA -0.125 61.066 61.300 -0.182 0.000 1.383 252 I CB 1.052 38.983 38.000 -0.114 0.000 1.412 252 I HN 0.511 nan 8.210 nan 0.000 0.531 253 R N 5.793 126.190 120.500 -0.172 0.000 2.439 253 R HA 0.651 4.992 4.340 0.001 0.000 0.310 253 R C -1.317 174.928 176.300 -0.092 0.000 0.955 253 R CA -0.724 55.313 56.100 -0.106 0.000 0.853 253 R CB 1.160 31.447 30.300 -0.022 0.000 1.171 253 R HN 0.586 nan 8.270 nan 0.000 0.449 254 I N 3.357 123.862 120.570 -0.108 0.000 2.377 254 I HA 0.255 4.425 4.170 0.001 0.000 0.293 254 I C -0.421 175.413 176.117 -0.472 0.000 0.987 254 I CA -0.575 60.558 61.300 -0.279 0.000 1.185 254 I CB 1.638 39.455 38.000 -0.305 0.000 1.341 254 I HN 0.437 nan 8.210 nan 0.000 0.455 255 N N 6.537 124.957 118.700 -0.468 0.000 2.408 255 N HA 0.452 5.193 4.740 0.001 0.000 0.280 255 N C -1.229 174.020 175.510 -0.436 0.000 1.002 255 N CA -0.310 52.517 53.050 -0.371 0.000 0.907 255 N CB 1.496 39.905 38.487 -0.131 0.000 1.161 255 N HN 0.202 nan 8.380 nan 0.000 0.488 256 F N 0.315 120.338 119.950 0.121 0.000 2.507 256 F HA 0.277 4.805 4.527 0.001 0.000 0.327 256 F C 1.134 176.999 175.800 0.109 0.000 1.068 256 F CA -1.116 56.958 58.000 0.123 0.000 0.965 256 F CB 0.928 40.009 39.000 0.134 0.000 1.192 256 F HN 0.371 nan 8.300 nan 0.000 0.476 257 D N 0.226 120.820 120.400 0.323 0.000 2.403 257 D HA 0.146 4.787 4.640 0.001 0.000 0.278 257 D C 1.016 177.434 176.300 0.195 0.000 1.230 257 D CA -0.291 53.837 54.000 0.212 0.000 1.062 257 D CB -0.130 40.781 40.800 0.185 0.000 1.119 257 D HN 0.233 nan 8.370 nan 0.000 0.557 258 V N -1.312 118.688 119.914 0.143 0.000 2.535 258 V HA -0.098 4.023 4.120 0.001 0.000 0.246 258 V C 2.209 178.377 176.094 0.123 0.000 1.045 258 V CA 1.726 64.089 62.300 0.105 0.000 1.058 258 V CB -1.601 30.266 31.823 0.073 0.000 0.689 258 V HN 0.717 nan 8.190 nan 0.000 0.461 259 T N -0.454 114.219 114.554 0.199 0.000 3.098 259 T HA 0.229 4.580 4.350 0.001 0.000 0.266 259 T C 1.580 176.443 174.700 0.273 0.000 1.145 259 T CA 1.008 63.285 62.100 0.295 0.000 1.092 259 T CB -0.116 68.992 68.868 0.400 0.000 0.908 259 T HN 1.106 nan 8.240 nan 0.000 0.526 260 G N 0.357 109.271 108.800 0.190 0.000 2.134 260 G HA2 -0.196 3.764 3.960 0.001 0.000 0.209 260 G HA3 -0.196 3.764 3.960 0.001 0.000 0.209 260 G C -0.270 174.584 174.900 -0.077 0.000 0.993 260 G CA -0.499 44.583 45.100 -0.031 0.000 0.669 260 G HN 0.553 nan 8.290 nan 0.000 0.519 261 Y N -0.400 120.004 120.300 0.173 0.000 2.419 261 Y HA 0.675 5.226 4.550 0.001 0.000 0.328 261 Y C 1.173 177.291 175.900 0.363 0.000 1.162 261 Y CA -1.528 56.689 58.100 0.194 0.000 1.174 261 Y CB 0.950 39.458 38.460 0.080 0.000 1.228 261 Y HN 0.150 nan 8.280 nan 0.000 0.473 262 I N 2.291 123.146 120.570 0.474 0.000 2.556 262 I HA 0.002 4.173 4.170 0.001 0.000 0.284 262 I C 0.652 176.871 176.117 0.171 0.000 1.114 262 I CA 0.507 62.005 61.300 0.330 0.000 1.418 262 I CB 0.910 39.033 38.000 0.205 0.000 1.394 262 I HN 0.668 nan 8.210 nan 0.000 0.552 263 V N 5.808 125.761 119.914 0.065 0.000 3.294 263 V HA 0.516 4.636 4.120 0.001 0.000 0.255 263 V C 0.349 176.433 176.094 -0.017 0.000 1.528 263 V CA 0.856 63.179 62.300 0.038 0.000 1.086 263 V CB 0.898 32.756 31.823 0.058 0.000 0.906 263 V HN 0.756 nan 8.190 nan 0.000 0.433 264 G N -0.320 108.440 108.800 -0.066 0.000 2.708 264 G HA2 0.842 4.803 3.960 0.001 0.000 0.289 264 G HA3 0.842 4.803 3.960 0.001 0.000 0.289 264 G C -1.288 173.545 174.900 -0.112 0.000 1.416 264 G CA -0.319 44.735 45.100 -0.078 0.000 0.829 264 G HN 1.276 nan 8.290 nan 0.000 0.480 265 A N -0.003 122.760 122.820 -0.095 0.000 2.530 265 A HA 0.707 5.027 4.320 0.001 0.000 0.297 265 A C -1.062 176.473 177.584 -0.082 0.000 1.059 265 A CA -0.607 51.370 52.037 -0.099 0.000 0.782 265 A CB 1.015 19.958 19.000 -0.095 0.000 1.301 265 A HN 0.730 nan 8.150 nan 0.000 0.394 266 N N 0.181 118.837 118.700 -0.074 0.000 2.432 266 N HA 0.846 5.587 4.740 0.001 0.000 0.292 266 N C -1.262 174.231 175.510 -0.028 0.000 1.193 266 N CA -0.573 52.444 53.050 -0.056 0.000 0.878 266 N CB 1.356 39.813 38.487 -0.051 0.000 1.252 266 N HN 0.514 nan 8.380 nan 0.000 0.520 267 I N 1.323 121.882 120.570 -0.019 0.000 2.529 267 I HA 0.142 4.313 4.170 0.001 0.000 0.284 267 I C -1.140 174.982 176.117 0.009 0.000 1.088 267 I CA -0.356 60.956 61.300 0.020 0.000 1.062 267 I CB 1.937 39.935 38.000 -0.003 0.000 1.218 267 I HN 0.431 nan 8.210 nan 0.000 0.442 268 E N 4.450 124.689 120.200 0.064 0.000 2.014 268 E HA 0.294 4.644 4.350 0.001 0.000 0.275 268 E C -0.127 176.300 176.600 -0.288 0.000 0.997 268 E CA -0.224 56.101 56.400 -0.125 0.000 0.804 268 E CB 0.761 30.372 29.700 -0.147 0.000 1.090 268 E HN 0.526 nan 8.360 nan 0.000 0.401 269 T N 2.839 117.274 114.554 -0.198 0.000 2.882 269 T HA 0.344 4.694 4.350 0.001 0.000 0.287 269 T C -0.294 174.246 174.700 -0.266 0.000 1.014 269 T CA 0.077 62.169 62.100 -0.014 0.000 1.049 269 T CB 0.380 69.373 68.868 0.207 0.000 1.001 269 T HN 0.430 nan 8.240 nan 0.000 0.525 270 Y N 1.160 121.609 120.300 0.249 0.000 3.171 270 Y HA 0.464 5.015 4.550 0.001 0.000 0.271 270 Y C 0.472 176.425 175.900 0.089 0.000 1.865 270 Y CA -0.952 57.257 58.100 0.182 0.000 0.855 270 Y CB 0.104 38.690 38.460 0.210 0.000 1.298 270 Y HN 0.367 nan 8.280 nan 0.000 0.635 271 L N 3.519 124.883 121.223 0.234 0.000 2.546 271 L HA 0.052 4.392 4.340 0.001 0.000 0.272 271 L C -0.485 176.400 176.870 0.025 0.000 1.327 271 L CA 0.049 54.879 54.840 -0.018 0.000 1.199 271 L CB -0.993 40.930 42.059 -0.228 0.000 1.401 271 L HN 0.187 nan 8.230 nan 0.000 0.440 272 L N 3.099 124.312 121.223 -0.016 0.000 2.536 272 L HA 0.052 4.392 4.340 0.001 0.000 0.282 272 L C 1.050 177.934 176.870 0.023 0.000 1.147 272 L CA 0.279 55.081 54.840 -0.062 0.000 0.936 272 L CB -0.181 41.650 42.059 -0.380 0.000 1.279 272 L HN 0.515 nan 8.230 nan 0.000 0.461 273 E N 3.293 123.557 120.200 0.107 0.000 2.574 273 E HA -0.127 4.223 4.350 0.001 0.000 0.306 273 E C 0.359 177.117 176.600 0.264 0.000 1.166 273 E CA -0.112 56.359 56.400 0.119 0.000 1.263 273 E CB 0.255 30.008 29.700 0.088 0.000 1.078 273 E HN 0.693 nan 8.360 nan 0.000 0.481 274 K N 0.255 120.757 120.400 0.171 0.000 2.525 274 K HA 0.031 4.351 4.320 0.001 0.000 0.192 274 K C 1.312 177.958 176.600 0.077 0.000 1.029 274 K CA 0.430 56.793 56.287 0.127 0.000 1.029 274 K CB 0.115 32.645 32.500 0.050 0.000 0.814 274 K HN 0.099 nan 8.250 nan 0.000 0.503 275 S N 2.614 118.363 115.700 0.082 0.000 2.378 275 S HA -0.273 4.197 4.470 0.001 0.000 0.221 275 S C 1.764 176.386 174.600 0.037 0.000 1.037 275 S CA 1.833 60.056 58.200 0.037 0.000 1.069 275 S CB -0.540 62.687 63.200 0.045 0.000 1.006 275 S HN 0.676 nan 8.310 nan 0.000 0.423 276 R N 2.194 122.734 120.500 0.067 0.000 2.407 276 R HA -0.109 4.232 4.340 0.001 0.000 0.241 276 R C 1.744 178.095 176.300 0.085 0.000 1.180 276 R CA 1.151 57.275 56.100 0.040 0.000 1.048 276 R CB -0.601 29.666 30.300 -0.055 0.000 0.847 276 R HN 0.369 nan 8.270 nan 0.000 0.488 277 A N 1.416 124.293 122.820 0.095 0.000 2.121 277 A HA -0.009 4.311 4.320 0.001 0.000 0.218 277 A C 2.059 179.447 177.584 -0.326 0.000 1.154 277 A CA 1.226 53.237 52.037 -0.043 0.000 0.679 277 A CB -0.398 18.331 19.000 -0.453 0.000 0.795 277 A HN 0.660 nan 8.150 nan 0.000 0.458 278 I N -4.997 115.408 120.570 -0.274 0.000 3.445 278 I HA 0.356 4.526 4.170 0.001 0.000 0.288 278 I C 0.269 176.510 176.117 0.206 0.000 1.198 278 I CA -0.213 60.942 61.300 -0.243 0.000 1.417 278 I CB 0.354 38.306 38.000 -0.080 0.000 1.205 278 I HN -0.024 nan 8.210 nan 0.000 0.448 279 R N 1.643 122.205 120.500 0.102 0.000 2.512 279 R HA 0.453 4.794 4.340 0.001 0.000 0.291 279 R C -1.452 174.884 176.300 0.059 0.000 1.097 279 R CA -0.432 55.735 56.100 0.111 0.000 0.940 279 R CB 1.781 32.146 30.300 0.108 0.000 1.198 279 R HN 0.130 nan 8.270 nan 0.000 0.429 280 Q N 1.381 121.217 119.800 0.060 0.000 2.222 280 Q HA 0.649 4.990 4.340 0.001 0.000 0.252 280 Q C 0.144 176.146 176.000 0.004 0.000 0.926 280 Q CA -0.527 55.288 55.803 0.020 0.000 0.899 280 Q CB 1.511 30.281 28.738 0.053 0.000 1.250 280 Q HN 0.702 nan 8.270 nan 0.000 0.441 281 A N 1.891 124.680 122.820 -0.051 0.000 2.261 281 A HA 0.176 4.497 4.320 0.001 0.000 0.275 281 A C 0.001 177.570 177.584 -0.024 0.000 1.246 281 A CA -0.242 51.763 52.037 -0.054 0.000 0.810 281 A CB 0.139 19.060 19.000 -0.133 0.000 1.168 281 A HN 0.535 nan 8.150 nan 0.000 0.506 282 K N 0.072 120.460 120.400 -0.019 0.000 2.379 282 K HA 0.104 4.425 4.320 0.001 0.000 0.284 282 K C -0.751 175.846 176.600 -0.005 0.000 1.044 282 K CA 0.557 56.845 56.287 0.001 0.000 0.974 282 K CB 0.136 32.642 32.500 0.009 0.000 0.962 282 K HN 0.628 nan 8.250 nan 0.000 0.474 283 D N 1.490 121.895 120.400 0.008 0.000 3.028 283 D HA -0.156 4.485 4.640 0.001 0.000 0.207 283 D C -0.351 175.944 176.300 -0.008 0.000 1.100 283 D CA 1.231 55.235 54.000 0.005 0.000 0.995 283 D CB -0.420 40.384 40.800 0.007 0.000 1.108 283 D HN 0.683 nan 8.370 nan 0.000 0.421 284 E N -0.440 119.750 120.200 -0.017 0.000 2.446 284 E HA 0.704 5.054 4.350 0.001 0.000 0.251 284 E C 0.438 177.046 176.600 0.013 0.000 1.087 284 E CA -0.620 55.760 56.400 -0.033 0.000 0.937 284 E CB 1.676 31.320 29.700 -0.093 0.000 1.254 284 E HN -0.032 nan 8.360 nan 0.000 0.479 285 R N -0.670 119.843 120.500 0.021 0.000 2.869 285 R HA 0.376 4.716 4.340 0.001 0.000 0.263 285 R C -0.490 175.915 176.300 0.175 0.000 1.066 285 R CA -0.501 55.692 56.100 0.155 0.000 0.960 285 R CB 1.844 32.131 30.300 -0.021 0.000 1.221 285 R HN 0.567 nan 8.270 nan 0.000 0.474 286 T N -0.909 113.908 114.554 0.438 0.000 2.891 286 T HA 0.386 4.737 4.350 0.001 0.000 0.294 286 T C 0.130 174.934 174.700 0.174 0.000 1.065 286 T CA -0.595 61.650 62.100 0.242 0.000 0.936 286 T CB 0.096 69.270 68.868 0.511 0.000 1.415 286 T HN 0.210 nan 8.240 nan 0.000 0.572 287 F N 1.585 121.629 119.950 0.157 0.000 2.538 287 F HA 0.163 4.691 4.527 0.001 0.000 0.382 287 F C 2.089 177.980 175.800 0.152 0.000 1.069 287 F CA 0.028 58.061 58.000 0.055 0.000 1.138 287 F CB -0.868 38.068 39.000 -0.107 0.000 1.068 287 F HN 0.657 nan 8.300 nan 0.000 0.556 288 H N 2.035 121.177 119.070 0.120 0.000 2.237 288 H HA -0.364 4.192 4.556 0.001 0.000 0.266 288 H C 2.331 177.533 175.328 -0.210 0.000 1.136 288 H CA 1.978 58.005 56.048 -0.035 0.000 1.236 288 H CB -0.228 29.316 29.762 -0.363 0.000 1.480 288 H HN 0.654 nan 8.280 nan 0.000 0.570 289 I N 0.876 121.274 120.570 -0.287 0.000 2.191 289 I HA -0.360 3.811 4.170 0.001 0.000 0.248 289 I C 1.928 178.230 176.117 0.308 0.000 1.061 289 I CA 1.479 62.728 61.300 -0.085 0.000 1.329 289 I CB -0.579 37.567 38.000 0.244 0.000 1.024 289 I HN 0.122 nan 8.210 nan 0.000 0.423 290 F N 0.466 120.588 119.950 0.286 0.000 2.011 290 F HA -0.253 4.275 4.527 0.001 0.000 0.296 290 F C 2.486 178.354 175.800 0.114 0.000 1.144 290 F CA 2.208 60.274 58.000 0.110 0.000 1.185 290 F CB -1.841 37.099 39.000 -0.101 0.000 0.961 290 F HN 0.153 nan 8.300 nan 0.000 0.485 291 Y N -1.584 119.007 120.300 0.484 0.000 2.151 291 Y HA -0.311 4.240 4.550 0.001 0.000 0.284 291 Y C 2.502 178.752 175.900 0.584 0.000 1.166 291 Y CA 1.658 60.071 58.100 0.522 0.000 1.163 291 Y CB -1.354 37.375 38.460 0.448 0.000 0.974 291 Y HN 0.005 nan 8.280 nan 0.000 0.511 292 Y N -0.735 119.880 120.300 0.524 0.000 2.069 292 Y HA -0.292 4.258 4.550 0.001 0.000 0.278 292 Y C 2.427 178.636 175.900 0.515 0.000 1.175 292 Y CA 0.960 59.378 58.100 0.530 0.000 1.134 292 Y CB -1.329 37.465 38.460 0.557 0.000 0.965 292 Y HN 0.150 nan 8.280 nan 0.000 0.498 293 L N 0.405 122.051 121.223 0.705 0.000 1.994 293 L HA -0.184 4.157 4.340 0.001 0.000 0.208 293 L C 2.172 179.083 176.870 0.069 0.000 1.071 293 L CA 1.596 56.715 54.840 0.464 0.000 0.745 293 L CB -1.151 41.185 42.059 0.463 0.000 0.892 293 L HN 0.233 nan 8.230 nan 0.000 0.431 294 I N -0.700 119.857 120.570 -0.022 0.000 2.623 294 I HA -0.297 3.874 4.170 0.001 0.000 0.261 294 I C 2.128 178.213 176.117 -0.055 0.000 1.204 294 I CA 1.012 62.129 61.300 -0.305 0.000 1.444 294 I CB -0.609 36.736 38.000 -1.092 0.000 1.094 294 I HN 0.394 nan 8.210 nan 0.000 0.451 295 A N 0.280 123.174 122.820 0.123 0.000 1.993 295 A HA 0.295 4.616 4.320 0.001 0.000 0.202 295 A C 2.261 179.770 177.584 -0.125 0.000 1.461 295 A CA 0.619 52.746 52.037 0.150 0.000 0.824 295 A CB -1.024 18.169 19.000 0.321 0.000 1.024 295 A HN 0.312 nan 8.150 nan 0.000 0.507 296 G N 0.389 108.962 108.800 -0.378 0.000 2.708 296 G HA2 0.308 4.269 3.960 0.001 0.000 0.210 296 G HA3 0.308 4.269 3.960 0.001 0.000 0.210 296 G C 0.752 174.958 174.900 -1.156 0.000 1.141 296 G CA 0.692 45.270 45.100 -0.870 0.000 0.788 296 G HN 0.858 nan 8.290 nan 0.000 0.531 297 A N 0.746 123.107 122.820 -0.765 0.000 2.546 297 A HA 0.469 4.790 4.320 0.001 0.000 0.243 297 A C 1.040 178.507 177.584 -0.196 0.000 1.063 297 A CA 0.462 52.263 52.037 -0.393 0.000 0.757 297 A CB 0.155 19.055 19.000 -0.166 0.000 0.991 297 A HN 0.781 nan 8.150 nan 0.000 0.503 298 S N 1.806 117.454 115.700 -0.086 0.000 2.580 298 S HA 0.112 4.583 4.470 0.001 0.000 0.274 298 S C 1.134 175.729 174.600 -0.010 0.000 1.329 298 S CA 0.097 58.284 58.200 -0.021 0.000 1.036 298 S CB 0.934 64.154 63.200 0.032 0.000 0.919 298 S HN 0.747 nan 8.310 nan 0.000 0.515 299 E N 1.975 122.174 120.200 -0.002 0.000 2.068 299 E HA -0.254 4.097 4.350 0.001 0.000 0.207 299 E C 1.799 178.405 176.600 0.009 0.000 1.032 299 E CA 1.935 58.337 56.400 0.004 0.000 0.839 299 E CB -0.546 29.159 29.700 0.009 0.000 0.758 299 E HN 0.876 nan 8.360 nan 0.000 0.457 300 Q N -0.107 119.703 119.800 0.016 0.000 1.927 300 Q HA -0.201 4.139 4.340 0.001 0.000 0.210 300 Q C 2.503 178.515 176.000 0.020 0.000 1.001 300 Q CA 2.545 58.359 55.803 0.018 0.000 0.862 300 Q CB -0.446 28.306 28.738 0.024 0.000 0.934 300 Q HN 0.502 nan 8.270 nan 0.000 0.420 301 M N -0.305 119.313 119.600 0.030 0.000 2.426 301 M HA -0.177 4.304 4.480 0.001 0.000 0.261 301 M C 1.869 178.185 176.300 0.028 0.000 1.068 301 M CA 1.558 56.881 55.300 0.038 0.000 1.066 301 M CB -0.329 32.311 32.600 0.068 0.000 1.399 301 M HN 0.015 nan 8.290 nan 0.000 0.449 302 R N 1.910 122.418 120.500 0.014 0.000 2.103 302 R HA -0.213 4.127 4.340 0.001 0.000 0.234 302 R C 1.706 178.013 176.300 0.011 0.000 1.132 302 R CA 2.854 58.958 56.100 0.006 0.000 0.925 302 R CB -0.862 29.438 30.300 0.001 0.000 0.842 302 R HN 0.834 nan 8.270 nan 0.000 0.430 303 N N 0.215 118.919 118.700 0.006 0.000 2.142 303 N HA -0.135 4.605 4.740 0.001 0.000 0.186 303 N C 1.218 176.718 175.510 -0.017 0.000 1.023 303 N CA 1.519 54.568 53.050 -0.003 0.000 0.852 303 N CB -0.647 37.837 38.487 -0.004 0.000 0.998 303 N HN 0.124 nan 8.380 nan 0.000 0.424 304 D N -0.013 120.380 120.400 -0.011 0.000 2.292 304 D HA -0.137 4.504 4.640 0.001 0.000 0.205 304 D C 0.907 177.180 176.300 -0.046 0.000 0.994 304 D CA 1.036 55.021 54.000 -0.025 0.000 0.897 304 D CB -0.055 40.746 40.800 0.002 0.000 0.907 304 D HN 0.482 nan 8.370 nan 0.000 0.467 305 L N -1.079 120.132 121.223 -0.019 0.000 3.069 305 L HA 0.291 4.632 4.340 0.001 0.000 0.271 305 L C -0.045 176.823 176.870 -0.005 0.000 1.201 305 L CA -0.391 54.441 54.840 -0.012 0.000 1.015 305 L CB 0.331 42.415 42.059 0.040 0.000 1.371 305 L HN -0.139 nan 8.230 nan 0.000 0.574 306 L N 1.274 122.486 121.223 -0.019 0.000 3.746 306 L HA -0.216 4.124 4.340 0.001 0.000 0.542 306 L C -0.361 176.549 176.870 0.067 0.000 1.268 306 L CA 0.395 55.230 54.840 -0.008 0.000 0.818 306 L CB -1.455 40.575 42.059 -0.049 0.000 1.472 306 L HN 0.283 nan 8.230 nan 0.000 0.843 307 L N 1.023 122.295 121.223 0.081 0.000 2.449 307 L HA 0.279 4.619 4.340 0.001 0.000 0.255 307 L C 1.096 178.057 176.870 0.152 0.000 1.167 307 L CA -0.249 54.673 54.840 0.137 0.000 1.090 307 L CB 0.031 42.110 42.059 0.034 0.000 1.385 307 L HN 0.280 nan 8.230 nan 0.000 0.411 308 E N 0.557 120.918 120.200 0.268 0.000 2.425 308 E HA 0.206 4.556 4.350 0.001 0.000 0.258 308 E C 0.939 177.692 176.600 0.255 0.000 1.151 308 E CA -0.094 56.427 56.400 0.201 0.000 0.958 308 E CB 0.536 30.280 29.700 0.074 0.000 0.968 308 E HN 0.502 nan 8.360 nan 0.000 0.451 309 G N 0.604 109.498 108.800 0.157 0.000 2.518 309 G HA2 0.044 4.004 3.960 0.001 0.000 0.284 309 G HA3 0.044 4.004 3.960 0.001 0.000 0.284 309 G C -0.582 174.383 174.900 0.110 0.000 1.362 309 G CA -0.601 44.576 45.100 0.129 0.000 1.065 309 G HN 0.316 nan 8.290 nan 0.000 0.561 310 F N -0.144 119.877 119.950 0.118 0.000 2.410 310 F HA 0.219 4.747 4.527 0.001 0.000 0.334 310 F C 1.702 177.594 175.800 0.154 0.000 1.134 310 F CA 0.689 58.768 58.000 0.131 0.000 1.227 310 F CB 0.585 39.705 39.000 0.199 0.000 1.194 310 F HN 0.620 nan 8.300 nan 0.000 0.571 311 N N 0.713 119.615 118.700 0.335 0.000 2.800 311 N HA -0.277 4.463 4.740 0.001 0.000 0.250 311 N C 0.292 175.902 175.510 0.167 0.000 1.078 311 N CA 0.868 54.054 53.050 0.227 0.000 0.804 311 N CB -1.142 37.460 38.487 0.192 0.000 1.135 311 N HN 0.721 nan 8.380 nan 0.000 0.565 312 N N -0.803 118.038 118.700 0.236 0.000 2.220 312 N HA 0.048 4.788 4.740 0.001 0.000 0.195 312 N C -0.825 174.627 175.510 -0.096 0.000 1.123 312 N CA 0.263 53.356 53.050 0.072 0.000 0.874 312 N CB 0.416 38.944 38.487 0.069 0.000 0.995 312 N HN 0.141 nan 8.380 nan 0.000 0.498 313 Y N -0.041 120.207 120.300 -0.086 0.000 2.429 313 Y HA 0.267 4.818 4.550 0.001 0.000 0.342 313 Y C 1.228 177.054 175.900 -0.124 0.000 1.004 313 Y CA -0.993 57.026 58.100 -0.135 0.000 1.075 313 Y CB 1.547 39.910 38.460 -0.161 0.000 1.214 313 Y HN -0.147 nan 8.280 nan 0.000 0.455 314 T N 0.415 114.912 114.554 -0.094 0.000 3.081 314 T HA 0.020 4.371 4.350 0.001 0.000 0.250 314 T C 1.096 175.755 174.700 -0.068 0.000 1.100 314 T CA 0.400 62.429 62.100 -0.117 0.000 1.038 314 T CB -0.168 68.570 68.868 -0.217 0.000 0.962 314 T HN 0.377 nan 8.240 nan 0.000 0.516 315 F N 1.609 121.544 119.950 -0.026 0.000 2.748 315 F HA 0.330 4.857 4.527 0.001 0.000 0.299 315 F C 0.647 176.405 175.800 -0.070 0.000 1.154 315 F CA -0.720 57.238 58.000 -0.071 0.000 1.446 315 F CB -0.506 38.396 39.000 -0.164 0.000 1.112 315 F HN 0.123 nan 8.300 nan 0.000 0.584 316 L N 0.308 121.605 121.223 0.124 0.000 2.353 316 L HA 0.311 4.651 4.340 0.001 0.000 0.269 316 L C 0.544 177.498 176.870 0.139 0.000 1.085 316 L CA -0.490 54.408 54.840 0.096 0.000 0.938 316 L CB -0.121 41.962 42.059 0.041 0.000 1.312 316 L HN -0.157 nan 8.230 nan 0.000 0.429 317 S N 1.302 117.083 115.700 0.135 0.000 2.584 317 S HA 0.155 4.625 4.470 0.001 0.000 0.270 317 S C 0.827 175.505 174.600 0.131 0.000 1.346 317 S CA -0.671 57.597 58.200 0.115 0.000 1.018 317 S CB 0.299 63.555 63.200 0.093 0.000 0.899 317 S HN 0.776 nan 8.310 nan 0.000 0.542 318 N N 0.485 119.249 118.700 0.107 0.000 2.747 318 N HA -0.204 4.537 4.740 0.001 0.000 0.249 318 N C 0.867 176.468 175.510 0.152 0.000 1.107 318 N CA 0.771 53.886 53.050 0.108 0.000 0.707 318 N CB -2.109 36.434 38.487 0.094 0.000 1.054 318 N HN 1.253 nan 8.380 nan 0.000 0.555 319 G N 1.095 109.996 108.800 0.168 0.000 2.629 319 G HA2 -0.394 3.567 3.960 0.001 0.000 0.335 319 G HA3 -0.394 3.567 3.960 0.001 0.000 0.335 319 G C -0.247 174.860 174.900 0.345 0.000 1.347 319 G CA 1.086 46.324 45.100 0.230 0.000 0.979 319 G HN 0.773 nan 8.290 nan 0.000 0.534 320 H N 0.615 119.815 119.070 0.215 0.000 2.761 320 H HA 0.587 5.143 4.556 0.001 0.000 0.284 320 H C -0.193 175.143 175.328 0.014 0.000 1.105 320 H CA -0.142 56.007 56.048 0.168 0.000 1.352 320 H CB 0.230 29.849 29.762 -0.238 0.000 1.423 320 H HN 0.334 nan 8.280 nan 0.000 0.464 321 V N 8.971 128.930 119.914 0.075 0.000 2.539 321 V HA 0.326 4.446 4.120 0.001 0.000 0.292 321 V C -1.888 174.078 176.094 -0.212 0.000 1.045 321 V CA -1.384 60.920 62.300 0.007 0.000 0.945 321 V CB 1.800 33.600 31.823 -0.037 0.000 0.993 321 V HN 0.778 nan 8.190 nan 0.000 0.464 322 P HA 0.504 nan 4.420 nan 0.000 0.287 322 P C -1.067 176.155 177.300 -0.131 0.000 1.279 322 P CA -0.717 62.334 63.100 -0.081 0.000 0.867 322 P CB 2.062 33.785 31.700 0.038 0.000 1.127 323 I N 2.713 123.195 120.570 -0.145 0.000 2.362 323 I HA 0.377 4.548 4.170 0.001 0.000 0.289 323 I C -2.346 173.727 176.117 -0.072 0.000 0.994 323 I CA -3.173 58.054 61.300 -0.122 0.000 1.158 323 I CB 1.786 39.684 38.000 -0.170 0.000 1.315 323 I HN 0.176 nan 8.210 nan 0.000 0.451 324 P HA 0.064 nan 4.420 nan 0.000 0.265 324 P C 0.350 177.636 177.300 -0.023 0.000 1.193 324 P CA 0.613 63.693 63.100 -0.033 0.000 0.765 324 P CB 0.978 32.660 31.700 -0.031 0.000 0.823 325 A N 1.291 124.100 122.820 -0.017 0.000 3.420 325 A HA -0.264 4.057 4.320 0.001 0.000 0.269 325 A C 0.535 178.113 177.584 -0.009 0.000 1.122 325 A CA 1.566 53.599 52.037 -0.007 0.000 1.023 325 A CB -2.396 16.607 19.000 0.005 0.000 1.099 325 A HN 0.687 nan 8.150 nan 0.000 0.860 326 Q N -0.766 119.018 119.800 -0.027 0.000 2.340 326 Q HA 0.584 4.925 4.340 0.001 0.000 0.268 326 Q C -0.650 175.311 176.000 -0.066 0.000 1.031 326 Q CA -0.465 55.314 55.803 -0.040 0.000 0.804 326 Q CB 1.268 29.980 28.738 -0.043 0.000 1.286 326 Q HN 0.517 nan 8.270 nan 0.000 0.448 327 Q N 3.430 123.187 119.800 -0.072 0.000 2.425 327 Q HA 0.141 4.482 4.340 0.001 0.000 0.254 327 Q C -0.296 175.619 176.000 -0.142 0.000 1.032 327 Q CA -0.323 55.433 55.803 -0.078 0.000 0.798 327 Q CB 0.880 29.591 28.738 -0.044 0.000 1.210 327 Q HN 0.656 nan 8.270 nan 0.000 0.491 328 D N 3.111 123.411 120.400 -0.166 0.000 2.158 328 D HA -0.210 4.431 4.640 0.001 0.000 0.197 328 D C 0.463 176.659 176.300 -0.174 0.000 0.995 328 D CA 1.537 55.368 54.000 -0.281 0.000 0.846 328 D CB 0.249 41.015 40.800 -0.056 0.000 0.941 328 D HN 0.657 nan 8.370 nan 0.000 0.456 329 D N 1.205 121.576 120.400 -0.048 0.000 2.160 329 D HA -0.221 4.419 4.640 0.001 0.000 0.189 329 D C 2.067 178.374 176.300 0.013 0.000 1.003 329 D CA 1.738 55.737 54.000 -0.001 0.000 0.846 329 D CB -0.566 40.236 40.800 0.003 0.000 0.949 329 D HN 0.583 nan 8.370 nan 0.000 0.446 330 E N -0.002 120.189 120.200 -0.014 0.000 2.072 330 E HA -0.117 4.233 4.350 0.001 0.000 0.190 330 E C 1.953 178.550 176.600 -0.005 0.000 0.982 330 E CA 0.556 56.964 56.400 0.014 0.000 0.803 330 E CB -0.294 29.406 29.700 0.000 0.000 0.755 330 E HN 0.010 nan 8.360 nan 0.000 0.453 331 M N 0.642 120.151 119.600 -0.151 0.000 2.146 331 M HA -0.223 4.257 4.480 0.001 0.000 0.251 331 M C 1.984 178.214 176.300 -0.117 0.000 1.083 331 M CA 1.432 56.543 55.300 -0.315 0.000 1.076 331 M CB -1.111 30.870 32.600 -1.031 0.000 1.332 331 M HN 0.191 nan 8.290 nan 0.000 0.400 332 F N 0.619 120.467 119.950 -0.169 0.000 2.000 332 F HA -0.339 4.189 4.527 0.001 0.000 0.296 332 F C 2.680 178.543 175.800 0.106 0.000 1.159 332 F CA 2.631 60.692 58.000 0.103 0.000 1.183 332 F CB -0.832 38.231 39.000 0.106 0.000 0.959 332 F HN 0.165 nan 8.300 nan 0.000 0.490 333 Q N 0.513 120.478 119.800 0.275 0.000 2.082 333 Q HA -0.297 4.043 4.340 0.001 0.000 0.211 333 Q C 2.173 178.203 176.000 0.050 0.000 1.002 333 Q CA 2.464 58.354 55.803 0.144 0.000 0.868 333 Q CB -0.509 28.313 28.738 0.140 0.000 0.931 333 Q HN 0.587 nan 8.270 nan 0.000 0.414 334 E N -1.352 118.878 120.200 0.049 0.000 2.086 334 E HA -0.274 4.076 4.350 0.001 0.000 0.205 334 E C 1.912 178.515 176.600 0.006 0.000 1.027 334 E CA 2.106 58.524 56.400 0.029 0.000 0.830 334 E CB -0.251 29.472 29.700 0.038 0.000 0.751 334 E HN 0.667 nan 8.360 nan 0.000 0.456 335 T N -0.689 113.872 114.554 0.012 0.000 2.857 335 T HA -0.084 4.267 4.350 0.001 0.000 0.266 335 T C 1.925 176.561 174.700 -0.106 0.000 1.048 335 T CA 0.427 62.500 62.100 -0.045 0.000 1.139 335 T CB -0.115 68.739 68.868 -0.024 0.000 0.874 335 T HN 0.006 nan 8.240 nan 0.000 0.455 336 L N 1.416 122.554 121.223 -0.142 0.000 1.989 336 L HA -0.041 4.300 4.340 0.001 0.000 0.211 336 L C 2.724 179.560 176.870 -0.057 0.000 1.071 336 L CA 2.120 56.880 54.840 -0.134 0.000 0.749 336 L CB -1.273 40.712 42.059 -0.122 0.000 0.890 336 L HN 0.504 nan 8.230 nan 0.000 0.431 337 E N -0.553 119.629 120.200 -0.031 0.000 2.070 337 E HA -0.262 4.089 4.350 0.001 0.000 0.197 337 E C 2.106 178.674 176.600 -0.052 0.000 1.004 337 E CA 1.402 57.790 56.400 -0.020 0.000 0.805 337 E CB -0.075 29.624 29.700 -0.002 0.000 0.744 337 E HN 0.549 nan 8.360 nan 0.000 0.451 338 A N 1.584 124.360 122.820 -0.073 0.000 1.841 338 A HA -0.245 4.075 4.320 0.001 0.000 0.216 338 A C 2.240 179.716 177.584 -0.182 0.000 1.199 338 A CA 1.812 53.779 52.037 -0.116 0.000 0.621 338 A CB -0.697 18.231 19.000 -0.119 0.000 0.835 338 A HN 0.153 nan 8.150 nan 0.000 0.445 339 M N -0.085 119.394 119.600 -0.201 0.000 2.128 339 M HA -0.256 4.224 4.480 0.001 0.000 0.253 339 M C 2.363 178.506 176.300 -0.262 0.000 1.079 339 M CA 2.561 57.672 55.300 -0.315 0.000 1.082 339 M CB -1.157 31.404 32.600 -0.065 0.000 1.335 339 M HN 0.795 nan 8.290 nan 0.000 0.401 340 T N -0.591 113.898 114.554 -0.108 0.000 2.701 340 T HA -0.103 4.248 4.350 0.001 0.000 0.263 340 T C 1.762 176.414 174.700 -0.081 0.000 1.040 340 T CA 1.144 63.213 62.100 -0.053 0.000 1.147 340 T CB -0.634 68.226 68.868 -0.013 0.000 0.865 340 T HN 0.199 nan 8.240 nan 0.000 0.426 341 I N 0.860 121.375 120.570 -0.093 0.000 2.151 341 I HA -0.156 4.014 4.170 0.001 0.000 0.243 341 I C 2.705 178.748 176.117 -0.123 0.000 1.080 341 I CA 1.538 62.786 61.300 -0.087 0.000 1.339 341 I CB -1.106 36.841 38.000 -0.088 0.000 1.039 341 I HN 0.254 nan 8.210 nan 0.000 0.409 342 M N -0.238 119.235 119.600 -0.211 0.000 2.065 342 M HA -0.141 4.340 4.480 0.001 0.000 0.259 342 M C 1.790 177.967 176.300 -0.205 0.000 1.069 342 M CA 2.317 57.449 55.300 -0.279 0.000 1.110 342 M CB -1.075 31.204 32.600 -0.534 0.000 1.328 342 M HN 0.474 nan 8.290 nan 0.000 0.405 343 G N -2.912 105.778 108.800 -0.183 0.000 3.509 343 G HA2 -0.089 3.871 3.960 0.001 0.000 0.220 343 G HA3 -0.089 3.871 3.960 0.001 0.000 0.220 343 G C -0.237 174.781 174.900 0.197 0.000 0.951 343 G CA -0.617 44.487 45.100 0.006 0.000 0.844 343 G HN 0.204 nan 8.290 nan 0.000 0.568 344 F N 4.075 124.019 119.950 -0.010 0.000 2.506 344 F HA 0.278 4.806 4.527 0.001 0.000 0.387 344 F C 1.496 177.300 175.800 0.007 0.000 1.053 344 F CA -0.160 57.848 58.000 0.014 0.000 1.083 344 F CB -1.029 37.996 39.000 0.042 0.000 1.010 344 F HN -0.109 nan 8.300 nan 0.000 0.551 345 T N 4.705 119.364 114.554 0.176 0.000 2.923 345 T HA -0.101 4.249 4.350 0.001 0.000 0.320 345 T C 1.629 176.372 174.700 0.072 0.000 1.074 345 T CA -0.006 62.146 62.100 0.088 0.000 1.131 345 T CB 0.572 69.466 68.868 0.043 0.000 1.058 345 T HN 0.593 nan 8.240 nan 0.000 0.535 346 E N 3.417 123.649 120.200 0.053 0.000 2.095 346 E HA -0.344 4.007 4.350 0.001 0.000 0.212 346 E C 1.710 178.328 176.600 0.030 0.000 1.044 346 E CA 2.351 58.778 56.400 0.045 0.000 0.857 346 E CB -0.505 29.216 29.700 0.036 0.000 0.764 346 E HN 0.957 nan 8.360 nan 0.000 0.462 347 E N 1.240 121.444 120.200 0.006 0.000 2.158 347 E HA -0.096 4.254 4.350 0.001 0.000 0.191 347 E C 2.031 178.578 176.600 -0.087 0.000 0.982 347 E CA 0.972 57.356 56.400 -0.026 0.000 0.823 347 E CB -0.409 29.275 29.700 -0.028 0.000 0.766 347 E HN 0.456 nan 8.360 nan 0.000 0.468 348 E N 0.697 120.846 120.200 -0.085 0.000 2.394 348 E HA -0.306 4.045 4.350 0.001 0.000 0.202 348 E C 1.638 178.102 176.600 -0.227 0.000 1.029 348 E CA 1.343 57.636 56.400 -0.179 0.000 0.855 348 E CB 0.075 29.740 29.700 -0.058 0.000 0.770 348 E HN 0.510 nan 8.360 nan 0.000 0.527 349 Q N -1.112 118.641 119.800 -0.078 0.000 2.263 349 Q HA -0.040 4.300 4.340 0.001 0.000 0.196 349 Q C 2.369 178.339 176.000 -0.049 0.000 0.965 349 Q CA 1.242 57.038 55.803 -0.011 0.000 0.851 349 Q CB -0.104 28.696 28.738 0.103 0.000 0.948 349 Q HN 0.363 nan 8.270 nan 0.000 0.516 350 T N 0.165 114.709 114.554 -0.017 0.000 2.684 350 T HA -0.281 4.069 4.350 0.001 0.000 0.267 350 T C 2.017 176.695 174.700 -0.037 0.000 1.032 350 T CA 1.960 64.066 62.100 0.009 0.000 1.155 350 T CB -0.721 68.152 68.868 0.008 0.000 0.857 350 T HN 0.180 nan 8.240 nan 0.000 0.457 351 S N 2.904 118.506 115.700 -0.163 0.000 2.344 351 S HA 0.015 4.486 4.470 0.001 0.000 0.217 351 S C 2.074 176.578 174.600 -0.160 0.000 1.033 351 S CA 1.515 59.575 58.200 -0.234 0.000 1.017 351 S CB -0.771 62.042 63.200 -0.646 0.000 0.941 351 S HN 0.654 nan 8.310 nan 0.000 0.430 352 I N 1.361 121.723 120.570 -0.347 0.000 2.730 352 I HA -0.186 3.984 4.170 0.001 0.000 0.266 352 I C 1.802 177.914 176.117 -0.008 0.000 1.228 352 I CA 0.953 62.172 61.300 -0.134 0.000 1.445 352 I CB -0.758 37.137 38.000 -0.174 0.000 1.102 352 I HN 0.192 nan 8.210 nan 0.000 0.464 353 L N 0.581 121.832 121.223 0.046 0.000 2.200 353 L HA -0.018 4.323 4.340 0.001 0.000 0.200 353 L C 2.820 179.769 176.870 0.132 0.000 1.072 353 L CA 0.648 55.570 54.840 0.136 0.000 0.787 353 L CB -0.436 41.736 42.059 0.188 0.000 0.957 353 L HN 0.178 nan 8.230 nan 0.000 0.459 354 R N 0.068 120.626 120.500 0.096 0.000 2.083 354 R HA -0.133 4.208 4.340 0.001 0.000 0.237 354 R C 1.865 178.226 176.300 0.102 0.000 1.137 354 R CA 1.764 57.915 56.100 0.086 0.000 0.951 354 R CB -1.504 28.832 30.300 0.060 0.000 0.851 354 R HN 0.103 nan 8.270 nan 0.000 0.434 355 V N 1.753 121.732 119.914 0.108 0.000 2.794 355 V HA -0.205 3.916 4.120 0.001 0.000 0.260 355 V C 2.351 178.520 176.094 0.124 0.000 1.103 355 V CA 1.536 63.887 62.300 0.086 0.000 1.125 355 V CB -0.319 31.523 31.823 0.033 0.000 0.702 355 V HN 0.269 nan 8.190 nan 0.000 0.494 356 V N 0.340 120.354 119.914 0.166 0.000 2.300 356 V HA -0.136 3.985 4.120 0.001 0.000 0.241 356 V C 2.508 178.759 176.094 0.262 0.000 1.034 356 V CA 1.697 64.179 62.300 0.304 0.000 1.021 356 V CB -0.849 31.184 31.823 0.351 0.000 0.662 356 V HN 0.667 nan 8.190 nan 0.000 0.458 357 S N 1.717 117.528 115.700 0.185 0.000 2.380 357 S HA -0.308 4.162 4.470 0.001 0.000 0.229 357 S C 2.197 176.886 174.600 0.148 0.000 1.043 357 S CA 1.980 60.270 58.200 0.148 0.000 1.038 357 S CB -1.007 62.267 63.200 0.123 0.000 0.872 357 S HN 0.729 nan 8.310 nan 0.000 0.456 358 S N 2.041 117.815 115.700 0.123 0.000 2.359 358 S HA -0.128 4.343 4.470 0.001 0.000 0.222 358 S C 1.804 176.492 174.600 0.147 0.000 1.038 358 S CA 1.545 59.807 58.200 0.103 0.000 1.051 358 S CB -1.115 62.138 63.200 0.089 0.000 0.944 358 S HN 0.345 nan 8.310 nan 0.000 0.433 359 V N 1.170 121.191 119.914 0.178 0.000 3.284 359 V HA -0.045 4.075 4.120 0.001 0.000 0.273 359 V C 2.008 178.199 176.094 0.160 0.000 1.178 359 V CA 1.522 63.932 62.300 0.184 0.000 1.177 359 V CB -0.801 31.182 31.823 0.266 0.000 0.793 359 V HN 0.452 nan 8.190 nan 0.000 0.536 360 L N -1.914 119.418 121.223 0.181 0.000 2.445 360 L HA 0.092 4.433 4.340 0.001 0.000 0.207 360 L C 2.298 179.327 176.870 0.264 0.000 1.053 360 L CA 0.640 55.651 54.840 0.285 0.000 0.841 360 L CB -0.328 41.802 42.059 0.118 0.000 1.074 360 L HN 0.154 nan 8.230 nan 0.000 0.479 361 Q N 0.633 120.516 119.800 0.138 0.000 2.061 361 Q HA -0.226 4.115 4.340 0.001 0.000 0.204 361 Q C 2.072 178.038 176.000 -0.057 0.000 0.984 361 Q CA 1.843 57.616 55.803 -0.051 0.000 0.846 361 Q CB -0.500 28.208 28.738 -0.049 0.000 0.902 361 Q HN 0.346 nan 8.270 nan 0.000 0.421 362 L N -0.276 120.988 121.223 0.069 0.000 2.671 362 L HA -0.151 4.190 4.340 0.001 0.000 0.236 362 L C 1.657 178.548 176.870 0.034 0.000 1.178 362 L CA 1.286 56.197 54.840 0.119 0.000 0.829 362 L CB -0.336 41.874 42.059 0.252 0.000 0.956 362 L HN 0.419 nan 8.230 nan 0.000 0.455 363 G N -1.924 106.737 108.800 -0.232 0.000 2.662 363 G HA2 -0.133 3.828 3.960 0.001 0.000 0.212 363 G HA3 -0.133 3.828 3.960 0.001 0.000 0.212 363 G C 1.304 175.870 174.900 -0.556 0.000 1.141 363 G CA 0.097 44.624 45.100 -0.953 0.000 0.797 363 G HN 0.345 nan 8.290 nan 0.000 0.531 364 N N 0.801 119.280 118.700 -0.369 0.000 2.216 364 N HA 0.008 4.749 4.740 0.001 0.000 0.183 364 N C 1.019 176.368 175.510 -0.269 0.000 1.017 364 N CA -0.054 52.813 53.050 -0.305 0.000 0.861 364 N CB -0.145 38.167 38.487 -0.291 0.000 0.986 364 N HN 0.259 nan 8.380 nan 0.000 0.428 365 I N 1.938 122.359 120.570 -0.248 0.000 3.114 365 I HA -0.170 4.001 4.170 0.001 0.000 0.320 365 I C -0.134 175.712 176.117 -0.451 0.000 1.230 365 I CA 0.323 61.438 61.300 -0.307 0.000 1.440 365 I CB 0.097 37.979 38.000 -0.197 0.000 1.334 365 I HN -0.170 nan 8.210 nan 0.000 0.532 366 V N 6.832 126.413 119.914 -0.555 0.000 2.881 366 V HA 0.527 4.647 4.120 0.001 0.000 0.316 366 V C -0.597 175.038 176.094 -0.765 0.000 1.070 366 V CA -0.786 61.215 62.300 -0.497 0.000 0.976 366 V CB 1.962 33.640 31.823 -0.242 0.000 1.038 366 V HN 0.396 nan 8.190 nan 0.000 0.446 367 F N 1.184 121.133 119.950 -0.002 0.000 3.090 367 F HA 0.469 4.997 4.527 0.001 0.000 0.381 367 F C -0.120 175.681 175.800 0.003 0.000 1.231 367 F CA -0.824 57.179 58.000 0.004 0.000 1.177 367 F CB 1.452 40.458 39.000 0.010 0.000 1.598 367 F HN 0.461 nan 8.300 nan 0.000 0.589 368 K N 2.673 123.162 120.400 0.149 0.000 2.258 368 K HA 0.396 4.716 4.320 0.001 0.000 0.284 368 K C 0.296 176.946 176.600 0.084 0.000 1.051 368 K CA -0.583 55.757 56.287 0.088 0.000 0.923 368 K CB 0.890 33.417 32.500 0.045 0.000 1.046 368 K HN 0.392 nan 8.250 nan 0.000 0.474 369 K N 2.176 122.614 120.400 0.064 0.000 2.552 369 K HA -0.117 4.203 4.320 0.001 0.000 0.276 369 K C -0.563 176.058 176.600 0.035 0.000 0.960 369 K CA 0.899 57.213 56.287 0.044 0.000 0.961 369 K CB 0.420 32.939 32.500 0.032 0.000 0.902 369 K HN 0.577 nan 8.250 nan 0.000 0.515 370 E N 2.801 123.015 120.200 0.024 0.000 2.402 370 E HA 0.107 4.457 4.350 0.001 0.000 0.244 370 E C -0.409 176.197 176.600 0.011 0.000 0.945 370 E CA -0.438 55.973 56.400 0.018 0.000 0.774 370 E CB 0.656 30.366 29.700 0.018 0.000 1.296 370 E HN 0.564 nan 8.360 nan 0.000 0.414 371 R N 1.402 121.909 120.500 0.010 0.000 2.377 371 R HA -0.058 4.283 4.340 0.001 0.000 0.207 371 R C 1.047 177.349 176.300 0.004 0.000 1.075 371 R CA 0.725 56.829 56.100 0.007 0.000 1.035 371 R CB -0.092 30.212 30.300 0.007 0.000 0.857 371 R HN 0.253 nan 8.270 nan 0.000 0.475 372 N N 0.111 118.814 118.700 0.005 0.000 2.322 372 N HA -0.082 4.658 4.740 0.001 0.000 0.186 372 N C 1.778 177.288 175.510 0.000 0.000 1.037 372 N CA 1.896 54.948 53.050 0.003 0.000 0.869 372 N CB -0.600 37.890 38.487 0.004 0.000 1.036 372 N HN 0.331 nan 8.380 nan 0.000 0.439 373 T N -2.691 111.863 114.554 0.000 0.000 3.039 373 T HA 0.108 4.458 4.350 0.001 0.000 0.250 373 T C -0.172 174.524 174.700 -0.007 0.000 1.052 373 T CA 0.360 62.457 62.100 -0.004 0.000 1.125 373 T CB 0.262 69.127 68.868 -0.005 0.000 0.908 373 T HN 0.069 nan 8.240 nan 0.000 0.473 374 D N 0.408 120.806 120.400 -0.003 0.000 3.082 374 D HA -0.109 4.532 4.640 0.001 0.000 0.216 374 D C -0.521 175.772 176.300 -0.012 0.000 1.114 374 D CA 0.491 54.489 54.000 -0.005 0.000 0.886 374 D CB -1.547 39.248 40.800 -0.007 0.000 1.096 374 D HN 0.476 nan 8.370 nan 0.000 0.431 375 Q N 0.062 119.854 119.800 -0.012 0.000 2.771 375 Q HA 0.602 4.942 4.340 0.001 0.000 0.247 375 Q C -0.218 175.774 176.000 -0.014 0.000 0.986 375 Q CA -0.080 55.706 55.803 -0.028 0.000 0.713 375 Q CB 1.590 30.305 28.738 -0.038 0.000 1.241 375 Q HN 0.346 nan 8.270 nan 0.000 0.488 376 A N 1.120 123.942 122.820 0.002 0.000 2.642 376 A HA 0.193 4.513 4.320 0.001 0.000 0.228 376 A C 0.385 178.023 177.584 0.089 0.000 1.045 376 A CA 0.802 52.876 52.037 0.061 0.000 0.760 376 A CB 0.322 19.386 19.000 0.106 0.000 0.958 376 A HN 0.546 nan 8.150 nan 0.000 0.505 377 S N -0.274 115.525 115.700 0.164 0.000 2.874 377 S HA 0.682 5.152 4.470 0.001 0.000 0.318 377 S C -0.329 174.457 174.600 0.310 0.000 1.109 377 S CA -0.611 57.708 58.200 0.200 0.000 0.878 377 S CB 0.993 64.254 63.200 0.103 0.000 1.307 377 S HN 0.704 nan 8.310 nan 0.000 0.592 378 M N 2.590 122.320 119.600 0.217 0.000 3.266 378 M HA 0.452 4.933 4.480 0.001 0.000 0.260 378 M C -2.226 174.103 176.300 0.048 0.000 1.319 378 M CA -2.621 52.757 55.300 0.129 0.000 1.412 378 M CB 0.357 33.052 32.600 0.158 0.000 1.113 378 M HN 0.274 nan 8.290 nan 0.000 0.588 379 P HA -0.022 nan 4.420 nan 0.000 0.225 379 P C -0.504 176.787 177.300 -0.015 0.000 1.148 379 P CA 0.986 64.089 63.100 0.006 0.000 0.779 379 P CB 0.235 31.935 31.700 0.000 0.000 0.780 380 D N -1.791 118.587 120.400 -0.036 0.000 2.757 380 D HA 0.141 4.781 4.640 0.001 0.000 0.249 380 D C 0.581 176.855 176.300 -0.044 0.000 1.168 380 D CA -0.538 53.434 54.000 -0.046 0.000 0.870 380 D CB 0.826 41.584 40.800 -0.070 0.000 1.411 380 D HN -0.320 nan 8.370 nan 0.000 0.525 381 N N 0.894 119.577 118.700 -0.028 0.000 2.132 381 N HA -0.138 4.602 4.740 0.001 0.000 0.187 381 N C 1.841 177.329 175.510 -0.037 0.000 1.038 381 N CA 1.865 54.904 53.050 -0.017 0.000 0.846 381 N CB -0.805 37.678 38.487 -0.006 0.000 1.012 381 N HN 0.710 nan 8.380 nan 0.000 0.429 382 T N 0.585 115.113 114.554 -0.044 0.000 2.634 382 T HA -0.347 4.003 4.350 0.001 0.000 0.256 382 T C 1.818 176.472 174.700 -0.077 0.000 1.131 382 T CA 2.706 64.772 62.100 -0.057 0.000 1.149 382 T CB -0.915 67.914 68.868 -0.066 0.000 0.849 382 T HN 0.279 nan 8.240 nan 0.000 0.457 383 A N 2.852 125.613 122.820 -0.098 0.000 2.106 383 A HA 0.134 4.455 4.320 0.001 0.000 0.207 383 A C 2.985 180.505 177.584 -0.107 0.000 1.226 383 A CA 3.292 55.255 52.037 -0.123 0.000 0.783 383 A CB -1.747 17.163 19.000 -0.150 0.000 0.826 383 A HN 1.563 nan 8.150 nan 0.000 0.507 384 A N -1.197 121.574 122.820 -0.083 0.000 2.084 384 A HA -0.234 4.087 4.320 0.001 0.000 0.221 384 A C 2.175 179.679 177.584 -0.132 0.000 1.161 384 A CA 2.125 54.098 52.037 -0.106 0.000 0.653 384 A CB -0.737 18.305 19.000 0.071 0.000 0.802 384 A HN 0.792 nan 8.150 nan 0.000 0.457 385 Q N 0.049 119.808 119.800 -0.069 0.000 2.014 385 Q HA -0.280 4.061 4.340 0.001 0.000 0.207 385 Q C 1.944 177.917 176.000 -0.045 0.000 0.993 385 Q CA 2.241 58.016 55.803 -0.047 0.000 0.850 385 Q CB -0.211 28.509 28.738 -0.030 0.000 0.916 385 Q HN 0.697 nan 8.270 nan 0.000 0.417 386 K N -0.246 120.122 120.400 -0.054 0.000 1.965 386 K HA -0.126 4.195 4.320 0.001 0.000 0.214 386 K C 2.234 178.801 176.600 -0.056 0.000 1.046 386 K CA 1.559 57.821 56.287 -0.040 0.000 0.944 386 K CB -0.418 32.037 32.500 -0.074 0.000 0.726 386 K HN 0.066 nan 8.250 nan 0.000 0.441 387 V N 1.570 121.416 119.914 -0.114 0.000 2.257 387 V HA -0.426 3.694 4.120 0.001 0.000 0.257 387 V C 2.397 178.370 176.094 -0.202 0.000 1.077 387 V CA 2.008 64.216 62.300 -0.154 0.000 1.063 387 V CB -0.620 31.072 31.823 -0.220 0.000 0.664 387 V HN 0.517 nan 8.190 nan 0.000 0.450 388 C N -1.040 118.081 119.300 -0.299 0.000 2.422 388 C HA -0.120 4.340 4.460 0.001 0.000 0.286 388 C C 2.562 177.503 174.990 -0.082 0.000 1.412 388 C CA 0.979 59.823 59.018 -0.291 0.000 1.786 388 C CB -1.575 25.978 27.740 -0.312 0.000 1.835 388 C HN 0.748 nan 8.230 nan 0.000 0.533 389 H N 0.859 119.854 119.070 -0.126 0.000 2.343 389 H HA 0.050 4.607 4.556 0.001 0.000 0.303 389 H C 1.980 177.278 175.328 -0.050 0.000 1.068 389 H CA 1.416 57.421 56.048 -0.071 0.000 1.359 389 H CB -0.431 29.298 29.762 -0.055 0.000 1.402 389 H HN 0.403 nan 8.280 nan 0.000 0.515 390 L N -0.409 120.890 121.223 0.126 0.000 2.201 390 L HA -0.106 4.235 4.340 0.001 0.000 0.212 390 L C 2.456 179.365 176.870 0.065 0.000 1.105 390 L CA 0.914 55.790 54.840 0.061 0.000 0.775 390 L CB -0.385 41.676 42.059 0.004 0.000 0.913 390 L HN 0.181 nan 8.230 nan 0.000 0.440 391 M N -0.436 119.178 119.600 0.023 0.000 2.595 391 M HA 0.113 4.594 4.480 0.001 0.000 0.248 391 M C 1.344 177.648 176.300 0.008 0.000 1.119 391 M CA 0.733 56.035 55.300 0.003 0.000 1.079 391 M CB 0.138 32.701 32.600 -0.062 0.000 1.472 391 M HN 0.342 nan 8.290 nan 0.000 0.501 392 G N 1.647 110.463 108.800 0.027 0.000 2.179 392 G HA2 -0.268 3.693 3.960 0.001 0.000 0.257 392 G HA3 -0.268 3.693 3.960 0.001 0.000 0.257 392 G C 0.254 175.139 174.900 -0.024 0.000 1.010 392 G CA 0.818 45.924 45.100 0.010 0.000 0.736 392 G HN 0.617 nan 8.290 nan 0.000 0.513 393 I N -3.819 116.726 120.570 -0.043 0.000 4.030 393 I HA 0.746 4.916 4.170 0.001 0.000 0.248 393 I C 0.209 176.298 176.117 -0.047 0.000 1.284 393 I CA -1.385 59.889 61.300 -0.043 0.000 1.223 393 I CB 1.303 39.280 38.000 -0.039 0.000 1.446 393 I HN 0.055 nan 8.210 nan 0.000 0.519 394 N N -0.134 118.556 118.700 -0.016 0.000 2.229 394 N HA 0.316 5.056 4.740 0.001 0.000 0.298 394 N C 0.390 175.928 175.510 0.047 0.000 1.114 394 N CA -0.490 52.557 53.050 -0.005 0.000 0.776 394 N CB 2.513 41.003 38.487 0.004 0.000 1.501 394 N HN 0.665 nan 8.380 nan 0.000 0.474 395 V N 1.608 121.538 119.914 0.026 0.000 2.262 395 V HA -0.238 3.882 4.120 0.001 0.000 0.232 395 V C 2.561 178.740 176.094 0.142 0.000 1.009 395 V CA 2.644 64.990 62.300 0.075 0.000 0.995 395 V CB -2.128 29.716 31.823 0.036 0.000 0.646 395 V HN 0.913 nan 8.190 nan 0.000 0.472 396 T N -0.952 113.653 114.554 0.085 0.000 2.634 396 T HA -0.448 3.903 4.350 0.001 0.000 0.256 396 T C 1.521 176.267 174.700 0.077 0.000 1.131 396 T CA 2.656 64.798 62.100 0.070 0.000 1.149 396 T CB -1.446 67.445 68.868 0.038 0.000 0.849 396 T HN 0.699 nan 8.240 nan 0.000 0.457 397 D N 0.651 121.095 120.400 0.073 0.000 2.095 397 D HA -0.094 4.547 4.640 0.001 0.000 0.192 397 D C 1.761 178.113 176.300 0.087 0.000 0.990 397 D CA 1.643 55.679 54.000 0.059 0.000 0.836 397 D CB -0.530 40.300 40.800 0.050 0.000 0.979 397 D HN 0.446 nan 8.370 nan 0.000 0.447 398 F N 2.325 122.266 119.950 -0.015 0.000 2.039 398 F HA -0.349 4.178 4.527 0.001 0.000 0.296 398 F C 2.535 178.346 175.800 0.019 0.000 1.119 398 F CA 2.760 60.756 58.000 -0.007 0.000 1.211 398 F CB -0.905 38.094 39.000 -0.002 0.000 0.956 398 F HN -0.056 nan 8.300 nan 0.000 0.496 399 T N 1.120 115.790 114.554 0.193 0.000 2.565 399 T HA -0.366 3.985 4.350 0.001 0.000 0.265 399 T C 2.077 176.758 174.700 -0.031 0.000 1.082 399 T CA 1.878 64.038 62.100 0.101 0.000 1.173 399 T CB -0.791 68.169 68.868 0.153 0.000 0.864 399 T HN 0.349 nan 8.240 nan 0.000 0.425 400 R N 1.338 121.828 120.500 -0.016 0.000 2.122 400 R HA -0.187 4.154 4.340 0.001 0.000 0.236 400 R C 2.673 178.911 176.300 -0.103 0.000 1.129 400 R CA 2.368 58.441 56.100 -0.046 0.000 0.925 400 R CB -0.864 29.420 30.300 -0.027 0.000 0.850 400 R HN 0.492 nan 8.270 nan 0.000 0.431 401 S N 0.799 116.425 115.700 -0.122 0.000 2.389 401 S HA -0.220 4.250 4.470 0.001 0.000 0.231 401 S C 1.946 176.402 174.600 -0.239 0.000 1.052 401 S CA 1.699 59.800 58.200 -0.165 0.000 1.053 401 S CB -0.408 62.689 63.200 -0.171 0.000 0.886 401 S HN 0.325 nan 8.310 nan 0.000 0.456 402 I N 0.570 120.927 120.570 -0.354 0.000 2.546 402 I HA -0.000 4.170 4.170 0.001 0.000 0.255 402 I C 1.790 177.714 176.117 -0.320 0.000 1.163 402 I CA 0.986 62.050 61.300 -0.393 0.000 1.457 402 I CB -0.191 37.468 38.000 -0.568 0.000 1.092 402 I HN 0.212 nan 8.210 nan 0.000 0.434 403 L N -1.424 119.650 121.223 -0.248 0.000 2.347 403 L HA 0.135 4.476 4.340 0.001 0.000 0.196 403 L C 0.970 177.733 176.870 -0.178 0.000 1.072 403 L CA 0.626 55.311 54.840 -0.259 0.000 0.817 403 L CB -0.479 41.486 42.059 -0.156 0.000 1.029 403 L HN 0.150 nan 8.230 nan 0.000 0.478 404 T N -0.621 113.858 114.554 -0.125 0.000 3.042 404 T HA 0.385 4.736 4.350 0.001 0.000 0.356 404 T C -2.674 171.973 174.700 -0.087 0.000 1.233 404 T CA -2.308 59.736 62.100 -0.092 0.000 1.038 404 T CB 0.752 69.582 68.868 -0.064 0.000 1.089 404 T HN -0.138 nan 8.240 nan 0.000 0.531 405 P HA 0.140 nan 4.420 nan 0.000 0.268 405 P C 0.300 177.567 177.300 -0.055 0.000 1.282 405 P CA -0.346 62.709 63.100 -0.075 0.000 0.880 405 P CB 0.377 32.035 31.700 -0.069 0.000 0.971 406 R N 3.176 123.645 120.500 -0.052 0.000 4.160 406 R HA 0.037 4.378 4.340 0.001 0.000 0.216 406 R C 1.123 177.403 176.300 -0.034 0.000 2.009 406 R CA -0.396 55.681 56.100 -0.039 0.000 1.664 406 R CB -1.113 29.166 30.300 -0.036 0.000 1.216 406 R HN 0.541 nan 8.270 nan 0.000 0.648 407 I N -1.748 118.802 120.570 -0.034 0.000 3.576 407 I HA -0.054 4.116 4.170 0.001 0.000 0.231 407 I C 0.270 176.374 176.117 -0.021 0.000 1.331 407 I CA 0.550 61.834 61.300 -0.026 0.000 1.063 407 I CB 0.428 38.414 38.000 -0.024 0.000 1.517 407 I HN -0.116 nan 8.210 nan 0.000 0.817 408 K N 2.456 122.846 120.400 -0.017 0.000 2.984 408 K HA 0.336 4.656 4.320 0.001 0.000 0.211 408 K C -1.628 174.965 176.600 -0.012 0.000 1.174 408 K CA -0.455 55.823 56.287 -0.015 0.000 0.978 408 K CB 0.999 33.490 32.500 -0.015 0.000 1.212 408 K HN 0.612 nan 8.250 nan 0.000 0.589 409 V N 1.771 121.678 119.914 -0.012 0.000 2.843 409 V HA 0.150 4.271 4.120 0.001 0.000 0.305 409 V C 1.702 177.789 176.094 -0.012 0.000 1.065 409 V CA 1.370 63.664 62.300 -0.010 0.000 1.116 409 V CB 1.015 32.833 31.823 -0.009 0.000 0.968 409 V HN 0.960 nan 8.190 nan 0.000 0.487 410 G N 5.240 114.032 108.800 -0.013 0.000 2.651 410 G HA2 -0.376 3.584 3.960 0.001 0.000 0.387 410 G HA3 -0.376 3.584 3.960 0.001 0.000 0.387 410 G C 0.583 175.474 174.900 -0.016 0.000 1.291 410 G CA 1.114 46.204 45.100 -0.016 0.000 0.958 410 G HN 0.994 nan 8.290 nan 0.000 0.549 411 R N 1.684 122.175 120.500 -0.015 0.000 2.752 411 R HA 0.373 4.713 4.340 0.001 0.000 0.279 411 R C -0.465 175.828 176.300 -0.013 0.000 1.212 411 R CA 0.627 56.719 56.100 -0.014 0.000 1.169 411 R CB -0.410 29.882 30.300 -0.014 0.000 1.286 411 R HN 0.617 nan 8.270 nan 0.000 0.564 412 D N -0.409 119.983 120.400 -0.013 0.000 2.859 412 D HA 0.068 4.709 4.640 0.001 0.000 0.223 412 D C -0.408 175.884 176.300 -0.014 0.000 1.218 412 D CA -0.886 53.106 54.000 -0.013 0.000 0.850 412 D CB 2.025 42.818 40.800 -0.012 0.000 1.656 412 D HN -0.169 nan 8.370 nan 0.000 0.484 413 V N 1.314 121.219 119.914 -0.014 0.000 2.836 413 V HA 0.002 4.123 4.120 0.001 0.000 0.368 413 V C 0.637 176.721 176.094 -0.017 0.000 1.452 413 V CA -0.421 61.870 62.300 -0.016 0.000 1.586 413 V CB -0.007 31.806 31.823 -0.015 0.000 1.436 413 V HN 0.423 nan 8.190 nan 0.000 0.541 414 V N 2.793 122.697 119.914 -0.017 0.000 2.620 414 V HA -0.073 4.048 4.120 0.001 0.000 0.250 414 V C 0.780 176.860 176.094 -0.022 0.000 0.990 414 V CA 0.306 62.595 62.300 -0.018 0.000 1.196 414 V CB -0.538 31.274 31.823 -0.018 0.000 1.075 414 V HN 0.915 nan 8.190 nan 0.000 0.473 415 Q N 5.558 125.345 119.800 -0.023 0.000 2.288 415 Q HA 0.495 4.835 4.340 0.001 0.000 0.258 415 Q C -0.364 175.618 176.000 -0.030 0.000 0.957 415 Q CA -0.147 55.639 55.803 -0.027 0.000 0.919 415 Q CB 1.100 29.823 28.738 -0.025 0.000 1.185 415 Q HN 0.852 nan 8.270 nan 0.000 0.408 416 K N 1.649 122.027 120.400 -0.037 0.000 2.499 416 K HA 0.909 5.230 4.320 0.001 0.000 0.277 416 K C -1.859 174.710 176.600 -0.052 0.000 1.025 416 K CA -0.735 55.528 56.287 -0.040 0.000 0.900 416 K CB 1.214 33.690 32.500 -0.039 0.000 1.494 416 K HN 0.535 nan 8.250 nan 0.000 0.442 417 A N 1.484 124.271 122.820 -0.056 0.000 2.359 417 A HA 0.438 4.758 4.320 0.001 0.000 0.303 417 A C -1.170 176.366 177.584 -0.079 0.000 1.066 417 A CA -0.827 51.167 52.037 -0.071 0.000 0.730 417 A CB 1.218 20.181 19.000 -0.062 0.000 1.211 417 A HN 0.712 nan 8.150 nan 0.000 0.439 418 Q N 0.453 120.191 119.800 -0.104 0.000 2.407 418 Q HA 0.535 4.876 4.340 0.001 0.000 0.214 418 Q C -0.003 175.931 176.000 -0.110 0.000 1.043 418 Q CA -0.347 55.391 55.803 -0.108 0.000 0.983 418 Q CB 0.379 29.039 28.738 -0.129 0.000 1.211 418 Q HN 0.702 nan 8.270 nan 0.000 0.564 419 T N -0.702 113.795 114.554 -0.094 0.000 2.902 419 T HA 0.133 4.483 4.350 0.001 0.000 0.283 419 T C 0.858 175.512 174.700 -0.077 0.000 1.009 419 T CA -1.107 60.950 62.100 -0.072 0.000 1.051 419 T CB 1.540 70.381 68.868 -0.046 0.000 0.999 419 T HN 0.658 nan 8.240 nan 0.000 0.474 420 K N 1.630 122.001 120.400 -0.048 0.000 2.091 420 K HA -0.395 3.925 4.320 0.001 0.000 0.225 420 K C 1.383 177.991 176.600 0.014 0.000 1.028 420 K CA 2.672 58.959 56.287 -0.000 0.000 0.965 420 K CB -0.572 31.962 32.500 0.057 0.000 0.786 420 K HN 0.710 nan 8.250 nan 0.000 0.459 421 E N 0.740 120.958 120.200 0.031 0.000 2.026 421 E HA -0.215 4.136 4.350 0.001 0.000 0.206 421 E C 2.285 178.929 176.600 0.073 0.000 1.028 421 E CA 2.281 58.721 56.400 0.067 0.000 0.845 421 E CB -0.394 29.334 29.700 0.045 0.000 0.772 421 E HN 0.532 nan 8.360 nan 0.000 0.462 422 Q N -0.081 119.722 119.800 0.006 0.000 2.217 422 Q HA -0.212 4.128 4.340 0.001 0.000 0.209 422 Q C 2.148 178.134 176.000 -0.023 0.000 0.988 422 Q CA 1.396 57.196 55.803 -0.005 0.000 0.878 422 Q CB -0.377 28.313 28.738 -0.080 0.000 0.909 422 Q HN 0.323 nan 8.270 nan 0.000 0.424 423 A N 0.948 123.670 122.820 -0.164 0.000 2.070 423 A HA -0.212 4.109 4.320 0.001 0.000 0.220 423 A C 1.065 178.534 177.584 -0.191 0.000 1.159 423 A CA 1.944 53.688 52.037 -0.489 0.000 0.656 423 A CB -0.128 18.269 19.000 -1.004 0.000 0.800 423 A HN 0.307 nan 8.150 nan 0.000 0.453 424 D N -2.199 118.274 120.400 0.122 0.000 2.615 424 D HA 0.089 4.730 4.640 0.001 0.000 0.259 424 D C 1.346 177.786 176.300 0.232 0.000 0.999 424 D CA 0.340 54.509 54.000 0.282 0.000 0.938 424 D CB -0.408 40.561 40.800 0.280 0.000 1.121 424 D HN 0.307 nan 8.370 nan 0.000 0.487 425 F N 1.586 121.584 119.950 0.080 0.000 2.304 425 F HA -0.232 4.296 4.527 0.001 0.000 0.301 425 F C 1.712 177.555 175.800 0.073 0.000 1.052 425 F CA 1.243 59.287 58.000 0.073 0.000 1.389 425 F CB 0.038 39.063 39.000 0.042 0.000 1.081 425 F HN -0.028 nan 8.300 nan 0.000 0.538 426 A N 0.081 123.051 122.820 0.250 0.000 1.884 426 A HA 0.032 4.352 4.320 0.001 0.000 0.212 426 A C 1.998 179.650 177.584 0.113 0.000 1.265 426 A CA 0.729 52.862 52.037 0.161 0.000 0.626 426 A CB -1.197 17.867 19.000 0.106 0.000 0.943 426 A HN 0.317 nan 8.150 nan 0.000 0.466 427 I N 0.371 121.039 120.570 0.163 0.000 2.502 427 I HA -0.250 3.921 4.170 0.001 0.000 0.258 427 I C 2.221 178.480 176.117 0.236 0.000 1.172 427 I CA 1.911 63.353 61.300 0.237 0.000 1.430 427 I CB 0.035 38.257 38.000 0.370 0.000 1.086 427 I HN 0.601 nan 8.210 nan 0.000 0.440 428 E N 0.895 121.199 120.200 0.174 0.000 2.022 428 E HA -0.096 4.255 4.350 0.001 0.000 0.190 428 E C 2.028 178.649 176.600 0.034 0.000 0.973 428 E CA 0.950 57.448 56.400 0.163 0.000 0.816 428 E CB -0.292 29.467 29.700 0.098 0.000 0.781 428 E HN 0.403 nan 8.360 nan 0.000 0.456 429 A N 1.205 123.952 122.820 -0.122 0.000 2.277 429 A HA -0.050 4.271 4.320 0.001 0.000 0.208 429 A C 1.844 179.433 177.584 0.007 0.000 1.202 429 A CA 0.749 52.693 52.037 -0.156 0.000 0.762 429 A CB -0.475 18.284 19.000 -0.401 0.000 0.770 429 A HN 0.369 nan 8.150 nan 0.000 0.487 430 L N -1.540 119.731 121.223 0.081 0.000 2.265 430 L HA 0.399 4.740 4.340 0.001 0.000 0.195 430 L C 2.451 179.446 176.870 0.208 0.000 1.083 430 L CA 1.811 56.748 54.840 0.162 0.000 0.798 430 L CB -1.034 41.125 42.059 0.166 0.000 0.989 430 L HN 0.153 nan 8.230 nan 0.000 0.472 431 A N 0.725 123.658 122.820 0.188 0.000 1.865 431 A HA -0.306 4.014 4.320 0.001 0.000 0.217 431 A C 2.385 180.017 177.584 0.080 0.000 1.191 431 A CA 2.475 54.611 52.037 0.165 0.000 0.623 431 A CB -0.941 18.160 19.000 0.168 0.000 0.826 431 A HN 0.629 nan 8.150 nan 0.000 0.444 432 K N -0.199 120.190 120.400 -0.019 0.000 2.144 432 K HA -0.166 4.155 4.320 0.001 0.000 0.209 432 K C 1.736 178.360 176.600 0.040 0.000 1.047 432 K CA 2.038 58.289 56.287 -0.060 0.000 0.927 432 K CB -0.371 32.078 32.500 -0.085 0.000 0.716 432 K HN 0.363 nan 8.250 nan 0.000 0.454 433 A N 0.514 123.383 122.820 0.081 0.000 2.095 433 A HA 0.044 4.364 4.320 0.001 0.000 0.212 433 A C 1.923 179.525 177.584 0.029 0.000 1.162 433 A CA 0.753 52.834 52.037 0.073 0.000 0.753 433 A CB -0.265 18.806 19.000 0.117 0.000 0.840 433 A HN 0.415 nan 8.150 nan 0.000 0.468 434 K N -1.141 119.348 120.400 0.147 0.000 2.211 434 K HA -0.115 4.206 4.320 0.001 0.000 0.203 434 K C 1.558 178.126 176.600 -0.053 0.000 1.050 434 K CA 1.332 57.675 56.287 0.094 0.000 0.945 434 K CB -0.315 32.405 32.500 0.367 0.000 0.732 434 K HN 0.356 nan 8.250 nan 0.000 0.451 435 F N 2.158 122.029 119.950 -0.132 0.000 2.039 435 F HA -0.135 4.392 4.527 0.001 0.000 0.294 435 F C 2.243 177.900 175.800 -0.238 0.000 1.130 435 F CA 1.905 59.791 58.000 -0.190 0.000 1.189 435 F CB -0.491 38.390 39.000 -0.198 0.000 0.983 435 F HN 0.115 nan 8.300 nan 0.000 0.471 436 E N 0.071 120.220 120.200 -0.084 0.000 2.187 436 E HA -0.282 4.068 4.350 0.001 0.000 0.199 436 E C 2.307 178.761 176.600 -0.242 0.000 1.004 436 E CA 1.026 57.319 56.400 -0.178 0.000 0.813 436 E CB -0.156 29.499 29.700 -0.074 0.000 0.736 436 E HN 0.273 nan 8.360 nan 0.000 0.468 437 R N 0.112 120.417 120.500 -0.325 0.000 2.193 437 R HA -0.130 4.210 4.340 0.001 0.000 0.229 437 R C 2.199 178.266 176.300 -0.388 0.000 1.110 437 R CA 0.469 56.311 56.100 -0.430 0.000 0.988 437 R CB -0.238 29.592 30.300 -0.784 0.000 0.871 437 R HN 0.247 nan 8.270 nan 0.000 0.458 438 L N -0.557 120.405 121.223 -0.435 0.000 2.071 438 L HA -0.005 4.336 4.340 0.001 0.000 0.201 438 L C 1.956 178.646 176.870 -0.299 0.000 1.076 438 L CA 1.283 55.861 54.840 -0.436 0.000 0.755 438 L CB -0.957 40.724 42.059 -0.631 0.000 0.915 438 L HN -0.037 nan 8.230 nan 0.000 0.445 439 F N 0.796 120.399 119.950 -0.578 0.000 2.015 439 F HA -0.328 4.199 4.527 0.001 0.000 0.297 439 F C 2.615 178.273 175.800 -0.236 0.000 1.141 439 F CA 1.945 59.691 58.000 -0.424 0.000 1.192 439 F CB -0.360 38.336 39.000 -0.508 0.000 0.957 439 F HN 0.036 nan 8.300 nan 0.000 0.491 440 R N -0.674 119.794 120.500 -0.053 0.000 2.185 440 R HA -0.267 4.074 4.340 0.001 0.000 0.247 440 R C 1.940 178.150 176.300 -0.149 0.000 1.159 440 R CA 1.781 57.817 56.100 -0.107 0.000 0.988 440 R CB -1.608 28.662 30.300 -0.050 0.000 0.871 440 R HN 0.624 nan 8.270 nan 0.000 0.458 441 W N 1.021 122.142 121.300 -0.299 0.000 2.452 441 W HA -0.069 4.592 4.660 0.001 0.000 0.313 441 W C 1.896 178.268 176.519 -0.244 0.000 1.176 441 W CA 0.729 57.919 57.345 -0.259 0.000 1.350 441 W CB -0.206 29.090 29.460 -0.273 0.000 1.148 441 W HN -0.168 nan 8.180 nan 0.000 0.498 442 I N 1.030 121.610 120.570 0.016 0.000 2.091 442 I HA -0.340 3.831 4.170 0.001 0.000 0.239 442 I C 2.503 178.456 176.117 -0.273 0.000 1.061 442 I CA 1.707 62.947 61.300 -0.099 0.000 1.317 442 I CB -1.816 36.263 38.000 0.132 0.000 1.031 442 I HN 0.132 nan 8.210 nan 0.000 0.401 443 L N 0.575 121.559 121.223 -0.398 0.000 2.211 443 L HA -0.261 4.079 4.340 0.001 0.000 0.216 443 L C 2.173 178.861 176.870 -0.303 0.000 1.092 443 L CA 1.954 56.550 54.840 -0.407 0.000 0.767 443 L CB -0.339 41.392 42.059 -0.546 0.000 0.894 443 L HN 0.400 nan 8.230 nan 0.000 0.437 444 T N -3.876 110.462 114.554 -0.362 0.000 3.040 444 T HA 0.078 4.428 4.350 0.001 0.000 0.250 444 T C 1.858 176.329 174.700 -0.381 0.000 1.058 444 T CA -0.291 61.610 62.100 -0.331 0.000 0.988 444 T CB 0.123 68.797 68.868 -0.323 0.000 0.993 444 T HN 0.090 nan 8.240 nan 0.000 0.519 445 R N 1.117 121.327 120.500 -0.483 0.000 2.090 445 R HA 0.278 4.619 4.340 0.001 0.000 0.219 445 R C 2.317 178.586 176.300 -0.052 0.000 1.100 445 R CA 0.318 56.175 56.100 -0.405 0.000 0.991 445 R CB -1.060 28.768 30.300 -0.785 0.000 0.893 445 R HN 0.289 nan 8.270 nan 0.000 0.443 446 V N 2.046 121.947 119.914 -0.021 0.000 2.237 446 V HA -0.223 3.897 4.120 0.001 0.000 0.245 446 V C 1.966 178.002 176.094 -0.097 0.000 1.046 446 V CA 1.728 63.993 62.300 -0.058 0.000 1.007 446 V CB -0.510 31.255 31.823 -0.096 0.000 0.638 446 V HN 0.347 nan 8.190 nan 0.000 0.445 447 N N -0.150 118.476 118.700 -0.124 0.000 2.588 447 N HA -0.179 4.561 4.740 0.001 0.000 0.190 447 N C 1.683 177.128 175.510 -0.108 0.000 1.094 447 N CA 0.989 53.970 53.050 -0.116 0.000 0.921 447 N CB -0.101 38.308 38.487 -0.129 0.000 0.959 447 N HN 0.439 nan 8.380 nan 0.000 0.448 448 K N 0.064 120.397 120.400 -0.112 0.000 2.314 448 K HA 0.154 4.475 4.320 0.001 0.000 0.198 448 K C 1.595 178.154 176.600 -0.070 0.000 1.045 448 K CA 0.658 56.886 56.287 -0.098 0.000 0.988 448 K CB 0.143 32.573 32.500 -0.117 0.000 0.783 448 K HN 0.058 nan 8.250 nan 0.000 0.484 449 A N 0.265 123.046 122.820 -0.065 0.000 1.920 449 A HA 0.143 4.463 4.320 0.001 0.000 0.209 449 A C 1.682 179.230 177.584 -0.059 0.000 1.229 449 A CA 0.255 52.259 52.037 -0.055 0.000 0.671 449 A CB -0.384 18.583 19.000 -0.055 0.000 0.886 449 A HN 0.211 nan 8.150 nan 0.000 0.461 450 L N -0.063 121.117 121.223 -0.071 0.000 2.551 450 L HA -0.050 4.291 4.340 0.001 0.000 0.230 450 L C 0.402 177.232 176.870 -0.066 0.000 1.163 450 L CA 0.895 55.692 54.840 -0.071 0.000 0.826 450 L CB -0.741 41.270 42.059 -0.080 0.000 0.943 450 L HN 0.394 nan 8.230 nan 0.000 0.452 459 S N -0.072 115.741 115.700 0.187 0.000 2.570 459 S HA 0.870 5.341 4.470 0.001 0.000 0.286 459 S C -0.792 173.980 174.600 0.286 0.000 1.099 459 S CA -0.427 57.912 58.200 0.232 0.000 0.913 459 S CB 1.885 65.234 63.200 0.248 0.000 1.085 459 S HN 1.486 nan 8.310 nan 0.000 0.480 460 F N 0.053 120.065 119.950 0.103 0.000 2.591 460 F HA 0.813 5.341 4.527 0.001 0.000 0.309 460 F C -1.907 173.939 175.800 0.077 0.000 1.098 460 F CA -1.240 56.753 58.000 -0.012 0.000 0.937 460 F CB 0.951 39.933 39.000 -0.029 0.000 1.250 460 F HN 0.594 nan 8.300 nan 0.000 0.447 461 L N 3.453 124.722 121.223 0.077 0.000 2.307 461 L HA 0.874 5.215 4.340 0.001 0.000 0.284 461 L C -0.079 176.815 176.870 0.040 0.000 1.023 461 L CA -0.354 54.510 54.840 0.039 0.000 0.810 461 L CB 1.734 43.948 42.059 0.259 0.000 1.231 461 L HN 1.016 nan 8.230 nan 0.000 0.423 462 G N 5.888 114.658 108.800 -0.049 0.000 2.370 462 G HA2 0.606 4.567 3.960 0.001 0.000 0.317 462 G HA3 0.606 4.567 3.960 0.001 0.000 0.317 462 G C -0.919 173.831 174.900 -0.250 0.000 1.162 462 G CA -0.398 44.610 45.100 -0.154 0.000 0.922 462 G HN 0.529 nan 8.290 nan 0.000 0.454 463 I N 2.684 123.022 120.570 -0.387 0.000 2.382 463 I HA 0.259 4.429 4.170 0.001 0.000 0.286 463 I C -0.792 175.194 176.117 -0.218 0.000 1.002 463 I CA -0.788 60.379 61.300 -0.222 0.000 1.135 463 I CB 1.955 39.870 38.000 -0.142 0.000 1.288 463 I HN 0.222 nan 8.210 nan 0.000 0.448 464 L N 6.729 127.918 121.223 -0.057 0.000 2.280 464 L HA 0.452 4.792 4.340 0.001 0.000 0.287 464 L C -0.588 176.322 176.870 0.066 0.000 1.023 464 L CA 0.048 54.943 54.840 0.092 0.000 0.819 464 L CB 1.079 43.270 42.059 0.221 0.000 1.212 464 L HN 0.512 nan 8.230 nan 0.000 0.420 465 D N 5.440 125.890 120.400 0.084 0.000 2.479 465 D HA 0.305 4.946 4.640 0.001 0.000 0.247 465 D C -0.306 176.018 176.300 0.041 0.000 1.119 465 D CA -0.423 53.598 54.000 0.035 0.000 0.922 465 D CB 0.092 40.896 40.800 0.006 0.000 1.014 465 D HN 0.418 nan 8.370 nan 0.000 0.510 466 I N -0.079 120.501 120.570 0.017 0.000 2.834 466 I HA 0.743 4.914 4.170 0.001 0.000 0.305 466 I C 0.397 176.495 176.117 -0.032 0.000 1.008 466 I CA -1.204 60.085 61.300 -0.018 0.000 1.273 466 I CB 1.058 39.025 38.000 -0.056 0.000 1.432 466 I HN 0.245 nan 8.210 nan 0.000 0.557 467 A N 2.478 125.273 122.820 -0.040 0.000 2.388 467 A HA 0.653 4.973 4.320 0.001 0.000 0.257 467 A C 0.467 178.046 177.584 -0.009 0.000 1.095 467 A CA -0.035 51.978 52.037 -0.040 0.000 0.791 467 A CB -0.411 18.566 19.000 -0.039 0.000 1.029 467 A HN 1.107 nan 8.150 nan 0.000 0.489 468 G N 0.190 108.996 108.800 0.010 0.000 2.444 468 G HA2 0.436 4.397 3.960 0.001 0.000 0.268 468 G HA3 0.436 4.397 3.960 0.001 0.000 0.268 468 G C -0.180 174.775 174.900 0.091 0.000 1.203 468 G CA -0.602 44.535 45.100 0.062 0.000 0.835 468 G HN 0.681 nan 8.290 nan 0.000 0.543 469 F N 1.565 121.518 119.950 0.005 0.000 2.460 469 F HA 0.010 4.538 4.527 0.001 0.000 0.413 469 F C 1.122 176.876 175.800 -0.076 0.000 0.967 469 F CA 0.743 58.745 58.000 0.003 0.000 1.122 469 F CB 0.315 39.332 39.000 0.027 0.000 0.927 469 F HN 0.572 nan 8.300 nan 0.000 0.527 470 E N 7.418 127.458 120.200 -0.267 0.000 2.272 470 E HA 0.567 4.918 4.350 0.001 0.000 0.269 470 E C -1.181 175.079 176.600 -0.565 0.000 0.877 470 E CA -1.072 55.095 56.400 -0.389 0.000 0.755 470 E CB 2.339 31.846 29.700 -0.323 0.000 1.192 470 E HN 0.652 nan 8.360 nan 0.000 0.422 471 I N 2.170 122.329 120.570 -0.684 0.000 2.605 471 I HA 0.307 4.477 4.170 0.001 0.000 0.276 471 I C -1.587 174.243 176.117 -0.478 0.000 1.161 471 I CA -0.739 60.263 61.300 -0.496 0.000 1.064 471 I CB 0.222 38.047 38.000 -0.292 0.000 1.238 471 I HN 0.513 nan 8.210 nan 0.000 0.487 472 F N 3.688 123.589 119.950 -0.083 0.000 2.360 472 F HA 0.480 5.008 4.527 0.001 0.000 0.194 472 F C 1.710 177.471 175.800 -0.064 0.000 0.766 472 F CA -0.009 57.955 58.000 -0.060 0.000 1.061 472 F CB -0.247 38.732 39.000 -0.035 0.000 2.226 472 F HN 0.303 nan 8.300 nan 0.000 0.684 473 E N 0.619 120.954 120.200 0.225 0.000 2.035 473 E HA 0.151 4.502 4.350 0.001 0.000 0.191 473 E C 0.592 177.237 176.600 0.075 0.000 0.966 473 E CA 0.647 57.103 56.400 0.094 0.000 0.823 473 E CB -0.545 29.200 29.700 0.075 0.000 0.791 473 E HN 0.334 nan 8.360 nan 0.000 0.459 474 I N 2.425 123.056 120.570 0.101 0.000 2.347 474 I HA 0.164 4.334 4.170 0.001 0.000 0.294 474 I C -0.023 176.184 176.117 0.150 0.000 1.090 474 I CA -0.203 61.160 61.300 0.106 0.000 1.314 474 I CB 0.038 38.098 38.000 0.100 0.000 1.423 474 I HN -0.236 nan 8.210 nan 0.000 0.503 475 N N 4.870 123.641 118.700 0.118 0.000 3.298 475 N HA 0.113 4.853 4.740 0.001 0.000 0.292 475 N C 0.286 176.056 175.510 0.435 0.000 1.271 475 N CA 0.075 53.207 53.050 0.136 0.000 1.184 475 N CB 0.625 38.975 38.487 -0.229 0.000 1.452 475 N HN 0.640 nan 8.380 nan 0.000 0.534 476 S N 0.216 116.164 115.700 0.412 0.000 2.680 476 S HA 0.002 4.473 4.470 0.001 0.000 0.249 476 S C 1.465 176.404 174.600 0.565 0.000 1.358 476 S CA -0.307 58.218 58.200 0.541 0.000 0.963 476 S CB 0.298 63.695 63.200 0.329 0.000 0.984 476 S HN 0.360 nan 8.310 nan 0.000 0.584 477 F N 1.815 121.763 119.950 -0.004 0.000 2.069 477 F HA -0.063 4.465 4.527 0.001 0.000 0.298 477 F C 2.067 177.686 175.800 -0.301 0.000 1.113 477 F CA 2.343 59.932 58.000 -0.685 0.000 1.214 477 F CB -1.417 36.988 39.000 -0.991 0.000 0.978 477 F HN 0.676 nan 8.300 nan 0.000 0.474 478 E N 0.308 120.395 120.200 -0.189 0.000 2.095 478 E HA -0.329 4.021 4.350 0.001 0.000 0.212 478 E C 2.007 178.519 176.600 -0.147 0.000 1.044 478 E CA 2.312 58.575 56.400 -0.229 0.000 0.857 478 E CB -0.727 28.938 29.700 -0.059 0.000 0.764 478 E HN 0.402 nan 8.360 nan 0.000 0.462 479 Q N -0.300 119.530 119.800 0.051 0.000 2.308 479 Q HA -0.122 4.219 4.340 0.001 0.000 0.209 479 Q C 2.005 178.142 176.000 0.228 0.000 0.985 479 Q CA 0.875 56.759 55.803 0.136 0.000 0.881 479 Q CB -0.227 28.645 28.738 0.224 0.000 0.917 479 Q HN 0.281 nan 8.270 nan 0.000 0.443 480 L N -0.819 120.479 121.223 0.125 0.000 2.044 480 L HA -0.109 4.232 4.340 0.001 0.000 0.205 480 L C 1.710 178.502 176.870 -0.130 0.000 1.075 480 L CA 1.645 56.421 54.840 -0.107 0.000 0.747 480 L CB -0.564 41.274 42.059 -0.368 0.000 0.903 480 L HN 0.293 nan 8.230 nan 0.000 0.435 481 C N -0.688 118.417 119.300 -0.324 0.000 2.457 481 C HA 0.012 4.473 4.460 0.001 0.000 0.278 481 C C 2.651 177.613 174.990 -0.047 0.000 1.309 481 C CA 0.189 59.103 59.018 -0.174 0.000 1.735 481 C CB -1.077 26.343 27.740 -0.533 0.000 1.992 481 C HN 0.564 nan 8.230 nan 0.000 0.493 482 I N 2.142 122.630 120.570 -0.137 0.000 2.099 482 I HA -0.217 3.953 4.170 0.001 0.000 0.239 482 I C 1.974 178.044 176.117 -0.079 0.000 1.066 482 I CA 1.785 63.023 61.300 -0.103 0.000 1.324 482 I CB -0.381 37.564 38.000 -0.092 0.000 1.037 482 I HN 0.320 nan 8.210 nan 0.000 0.401 483 N N -0.495 118.135 118.700 -0.116 0.000 2.573 483 N HA -0.203 4.538 4.740 0.001 0.000 0.187 483 N C 1.370 176.784 175.510 -0.159 0.000 1.107 483 N CA 0.537 53.445 53.050 -0.238 0.000 0.918 483 N CB -0.223 37.963 38.487 -0.503 0.000 0.966 483 N HN 0.416 nan 8.380 nan 0.000 0.448 484 Y N 1.415 121.617 120.300 -0.164 0.000 2.138 484 Y HA -0.101 4.449 4.550 0.001 0.000 0.286 484 Y C 2.104 177.958 175.900 -0.076 0.000 1.115 484 Y CA 1.486 59.522 58.100 -0.105 0.000 1.105 484 Y CB -0.953 37.489 38.460 -0.030 0.000 1.004 484 Y HN 0.018 nan 8.280 nan 0.000 0.494 485 T N 1.128 115.486 114.554 -0.325 0.000 2.653 485 T HA -0.279 4.071 4.350 0.001 0.000 0.268 485 T C 1.838 176.377 174.700 -0.267 0.000 1.035 485 T CA 1.866 63.731 62.100 -0.392 0.000 1.154 485 T CB -0.704 68.049 68.868 -0.191 0.000 0.862 485 T HN 0.470 nan 8.240 nan 0.000 0.441 486 N N 0.718 119.338 118.700 -0.134 0.000 2.061 486 N HA -0.186 4.555 4.740 0.001 0.000 0.193 486 N C 2.124 177.439 175.510 -0.324 0.000 1.030 486 N CA 1.644 54.659 53.050 -0.057 0.000 0.856 486 N CB -0.184 38.450 38.487 0.245 0.000 1.023 486 N HN 0.551 nan 8.380 nan 0.000 0.424 487 E N 1.275 121.270 120.200 -0.342 0.000 2.106 487 E HA -0.112 4.239 4.350 0.001 0.000 0.192 487 E C 1.940 178.327 176.600 -0.355 0.000 0.984 487 E CA 0.948 57.038 56.400 -0.517 0.000 0.806 487 E CB 0.205 29.812 29.700 -0.155 0.000 0.750 487 E HN 0.079 nan 8.360 nan 0.000 0.458 488 K N 0.403 120.616 120.400 -0.311 0.000 1.978 488 K HA -0.164 4.157 4.320 0.001 0.000 0.214 488 K C 2.076 178.562 176.600 -0.190 0.000 1.049 488 K CA 1.090 57.210 56.287 -0.278 0.000 0.939 488 K CB -0.785 31.439 32.500 -0.460 0.000 0.721 488 K HN 0.223 nan 8.250 nan 0.000 0.441 489 L N 2.230 123.343 121.223 -0.184 0.000 1.997 489 L HA -0.280 4.060 4.340 0.001 0.000 0.216 489 L C 2.536 179.381 176.870 -0.041 0.000 1.074 489 L CA 2.121 56.916 54.840 -0.074 0.000 0.763 489 L CB -1.489 40.540 42.059 -0.051 0.000 0.890 489 L HN 0.322 nan 8.230 nan 0.000 0.434 490 Q N -0.224 119.480 119.800 -0.161 0.000 2.062 490 Q HA -0.328 4.012 4.340 0.001 0.000 0.209 490 Q C 2.300 178.293 176.000 -0.011 0.000 0.996 490 Q CA 2.691 58.409 55.803 -0.143 0.000 0.859 490 Q CB -0.615 27.897 28.738 -0.377 0.000 0.920 490 Q HN 0.624 nan 8.270 nan 0.000 0.415 491 Q N -0.596 119.179 119.800 -0.042 0.000 2.197 491 Q HA -0.153 4.188 4.340 0.001 0.000 0.207 491 Q C 1.778 177.838 176.000 0.101 0.000 0.984 491 Q CA 1.599 57.432 55.803 0.050 0.000 0.869 491 Q CB -0.618 28.137 28.738 0.028 0.000 0.906 491 Q HN 0.523 nan 8.270 nan 0.000 0.426 492 L N -0.191 121.082 121.223 0.083 0.000 1.989 492 L HA -0.115 4.225 4.340 0.001 0.000 0.211 492 L C 2.043 179.017 176.870 0.174 0.000 1.071 492 L CA 2.093 57.014 54.840 0.134 0.000 0.749 492 L CB -1.417 40.739 42.059 0.162 0.000 0.890 492 L HN 0.435 nan 8.230 nan 0.000 0.431 493 F N 0.878 120.790 119.950 -0.064 0.000 2.161 493 F HA -0.250 4.278 4.527 0.001 0.000 0.300 493 F C 2.258 177.874 175.800 -0.307 0.000 1.089 493 F CA 2.169 59.897 58.000 -0.453 0.000 1.282 493 F CB -0.507 37.924 39.000 -0.948 0.000 1.010 493 F HN 0.337 nan 8.300 nan 0.000 0.485 494 N N -1.073 117.625 118.700 -0.003 0.000 2.120 494 N HA -0.245 4.495 4.740 0.001 0.000 0.188 494 N C 1.662 177.222 175.510 0.082 0.000 1.024 494 N CA 1.413 54.558 53.050 0.158 0.000 0.852 494 N CB -0.511 38.147 38.487 0.284 0.000 1.003 494 N HN 0.414 nan 8.380 nan 0.000 0.424 495 H N 1.042 120.105 119.070 -0.011 0.000 2.261 495 H HA -0.051 4.506 4.556 0.001 0.000 0.301 495 H C 2.086 177.352 175.328 -0.103 0.000 1.067 495 H CA 2.521 58.568 56.048 -0.002 0.000 1.297 495 H CB -0.294 29.478 29.762 0.017 0.000 1.377 495 H HN 0.187 nan 8.280 nan 0.000 0.492 496 T N -1.458 113.093 114.554 -0.005 0.000 2.929 496 T HA -0.161 4.189 4.350 0.001 0.000 0.271 496 T C 1.918 176.402 174.700 -0.360 0.000 1.085 496 T CA 1.418 63.456 62.100 -0.103 0.000 1.125 496 T CB -0.135 68.742 68.868 0.015 0.000 0.874 496 T HN 0.159 nan 8.240 nan 0.000 0.494 497 M N 0.110 119.284 119.600 -0.710 0.000 2.325 497 M HA 0.344 4.824 4.480 0.001 0.000 0.265 497 M C 0.998 176.618 176.300 -1.133 0.000 1.094 497 M CA 1.082 55.662 55.300 -1.200 0.000 1.161 497 M CB -0.088 31.162 32.600 -2.251 0.000 1.358 497 M HN 0.321 nan 8.290 nan 0.000 0.446 498 F N -1.931 117.783 119.950 -0.394 0.000 2.532 498 F HA 0.299 4.826 4.527 0.001 0.000 0.278 498 F C 1.824 177.545 175.800 -0.132 0.000 0.975 498 F CA -0.076 57.752 58.000 -0.286 0.000 1.292 498 F CB -0.691 38.166 39.000 -0.239 0.000 1.112 498 F HN -0.145 nan 8.300 nan 0.000 0.703 499 I N 0.895 121.493 120.570 0.047 0.000 2.045 499 I HA -0.306 3.865 4.170 0.001 0.000 0.233 499 I C 2.335 178.377 176.117 -0.124 0.000 1.048 499 I CA 1.708 62.968 61.300 -0.066 0.000 1.313 499 I CB -0.853 36.867 38.000 -0.466 0.000 1.043 499 I HN 0.112 nan 8.210 nan 0.000 0.393 500 L N 0.426 121.506 121.223 -0.238 0.000 1.978 500 L HA -0.284 4.056 4.340 0.001 0.000 0.218 500 L C 2.693 179.451 176.870 -0.187 0.000 1.075 500 L CA 1.900 56.653 54.840 -0.144 0.000 0.767 500 L CB -0.746 41.267 42.059 -0.076 0.000 0.890 500 L HN 0.321 nan 8.230 nan 0.000 0.434 501 E N 0.219 120.264 120.200 -0.259 0.000 2.114 501 E HA -0.314 4.037 4.350 0.001 0.000 0.199 501 E C 2.172 178.364 176.600 -0.680 0.000 1.008 501 E CA 1.836 57.969 56.400 -0.445 0.000 0.810 501 E CB -0.100 29.363 29.700 -0.394 0.000 0.739 501 E HN 0.406 nan 8.360 nan 0.000 0.456 502 Q N -0.561 119.056 119.800 -0.306 0.000 2.230 502 Q HA -0.101 4.240 4.340 0.001 0.000 0.202 502 Q C 1.970 177.946 176.000 -0.040 0.000 0.963 502 Q CA 1.131 56.861 55.803 -0.121 0.000 0.866 502 Q CB 0.123 29.028 28.738 0.278 0.000 0.931 502 Q HN 0.391 nan 8.270 nan 0.000 0.452 503 E N 0.550 120.726 120.200 -0.041 0.000 2.038 503 E HA -0.262 4.088 4.350 0.001 0.000 0.195 503 E C 1.817 178.383 176.600 -0.057 0.000 1.000 503 E CA 1.411 57.813 56.400 0.003 0.000 0.803 503 E CB -0.079 29.620 29.700 -0.001 0.000 0.750 503 E HN 0.350 nan 8.360 nan 0.000 0.448 504 E N 0.437 120.540 120.200 -0.163 0.000 2.204 504 E HA -0.200 4.150 4.350 0.001 0.000 0.195 504 E C 1.722 178.223 176.600 -0.165 0.000 0.990 504 E CA 0.937 57.261 56.400 -0.127 0.000 0.821 504 E CB -0.207 29.425 29.700 -0.113 0.000 0.750 504 E HN 0.238 nan 8.360 nan 0.000 0.477 505 Y N 0.576 120.665 120.300 -0.353 0.000 2.242 505 Y HA -0.096 4.455 4.550 0.001 0.000 0.291 505 Y C 2.358 178.077 175.900 -0.302 0.000 1.137 505 Y CA 1.345 59.072 58.100 -0.623 0.000 1.181 505 Y CB -0.794 37.136 38.460 -0.882 0.000 0.989 505 Y HN 0.169 nan 8.280 nan 0.000 0.527 506 Q N -0.309 119.519 119.800 0.046 0.000 1.990 506 Q HA -0.134 4.207 4.340 0.001 0.000 0.200 506 Q C 2.440 178.461 176.000 0.034 0.000 0.980 506 Q CA 1.433 57.286 55.803 0.083 0.000 0.832 506 Q CB -0.146 28.663 28.738 0.118 0.000 0.897 506 Q HN 0.252 nan 8.270 nan 0.000 0.427 507 R N 0.303 120.816 120.500 0.021 0.000 2.143 507 R HA -0.213 4.127 4.340 0.001 0.000 0.239 507 R C 2.042 178.358 176.300 0.027 0.000 1.126 507 R CA 1.705 57.819 56.100 0.022 0.000 0.927 507 R CB -0.400 29.912 30.300 0.019 0.000 0.860 507 R HN 0.286 nan 8.270 nan 0.000 0.433 508 E N -0.568 119.655 120.200 0.038 0.000 2.333 508 E HA -0.078 4.272 4.350 0.001 0.000 0.198 508 E C 0.836 177.455 176.600 0.032 0.000 1.007 508 E CA 1.005 57.447 56.400 0.070 0.000 0.845 508 E CB -0.189 29.649 29.700 0.230 0.000 0.766 508 E HN 0.636 nan 8.360 nan 0.000 0.507 509 G N 2.194 110.995 108.800 0.001 0.000 2.324 509 G HA2 -0.269 3.692 3.960 0.001 0.000 0.292 509 G HA3 -0.269 3.692 3.960 0.001 0.000 0.292 509 G C 0.300 175.190 174.900 -0.016 0.000 1.079 509 G CA 0.572 45.676 45.100 0.008 0.000 1.026 509 G HN 0.350 nan 8.290 nan 0.000 0.506 510 I N -2.986 117.529 120.570 -0.092 0.000 2.677 510 I HA 0.607 4.778 4.170 0.001 0.000 0.305 510 I C 0.846 176.925 176.117 -0.063 0.000 0.988 510 I CA -1.288 59.926 61.300 -0.144 0.000 1.260 510 I CB 1.102 38.855 38.000 -0.411 0.000 1.410 510 I HN 0.183 nan 8.210 nan 0.000 0.523 511 E N 5.363 125.534 120.200 -0.049 0.000 2.037 511 E HA -0.050 4.301 4.350 0.001 0.000 0.253 511 E C -1.640 175.008 176.600 0.081 0.000 1.265 511 E CA -0.054 56.353 56.400 0.013 0.000 0.972 511 E CB 0.317 30.024 29.700 0.010 0.000 1.054 511 E HN 0.651 nan 8.360 nan 0.000 0.432 512 W N 5.877 127.105 121.300 -0.121 0.000 3.256 512 W HA 0.256 4.917 4.660 0.001 0.000 0.324 512 W C -1.853 174.654 176.519 -0.020 0.000 1.196 512 W CA -0.774 56.504 57.345 -0.111 0.000 1.206 512 W CB 1.183 30.504 29.460 -0.231 0.000 1.385 512 W HN 0.483 nan 8.180 nan 0.000 0.522 513 N N 3.836 122.036 118.700 -0.833 0.000 2.361 513 N HA 0.373 5.114 4.740 0.001 0.000 0.302 513 N C -0.992 173.991 175.510 -0.879 0.000 1.074 513 N CA -0.538 52.161 53.050 -0.585 0.000 0.850 513 N CB 2.492 40.747 38.487 -0.386 0.000 1.228 513 N HN 0.254 nan 8.380 nan 0.000 0.491 514 F N 1.267 121.031 119.950 -0.310 0.000 2.535 514 F HA 0.353 4.880 4.527 0.001 0.000 0.332 514 F C -0.465 175.252 175.800 -0.139 0.000 1.208 514 F CA 0.100 58.087 58.000 -0.022 0.000 1.330 514 F CB 0.476 39.523 39.000 0.079 0.000 1.167 514 F HN 0.455 nan 8.300 nan 0.000 0.597 515 I N 3.476 123.500 120.570 -0.909 0.000 2.548 515 I HA 0.155 4.325 4.170 0.001 0.000 0.287 515 I C -1.414 174.186 176.117 -0.862 0.000 1.103 515 I CA -0.501 60.393 61.300 -0.676 0.000 1.049 515 I CB 1.661 39.296 38.000 -0.608 0.000 1.232 515 I HN 0.375 nan 8.210 nan 0.000 0.429 516 D N 5.496 125.738 120.400 -0.263 0.000 2.411 516 D HA 0.276 4.917 4.640 0.001 0.000 0.225 516 D C 0.492 176.626 176.300 -0.277 0.000 1.156 516 D CA 0.037 54.043 54.000 0.010 0.000 0.874 516 D CB 0.449 41.372 40.800 0.205 0.000 1.034 516 D HN 0.269 nan 8.370 nan 0.000 0.502 517 F N 1.475 121.330 119.950 -0.158 0.000 2.802 517 F HA 0.181 4.709 4.527 0.001 0.000 0.300 517 F C 1.999 177.641 175.800 -0.262 0.000 1.168 517 F CA 0.182 58.000 58.000 -0.303 0.000 1.433 517 F CB -0.152 38.407 39.000 -0.735 0.000 1.115 517 F HN 0.542 nan 8.300 nan 0.000 0.582 518 G N 1.981 110.769 108.800 -0.020 0.000 2.352 518 G HA2 -0.279 3.681 3.960 0.001 0.000 0.283 518 G HA3 -0.279 3.681 3.960 0.001 0.000 0.283 518 G C -0.409 174.474 174.900 -0.028 0.000 0.946 518 G CA -0.073 45.025 45.100 -0.003 0.000 1.317 518 G HN 0.405 nan 8.290 nan 0.000 0.478 519 L N 1.657 122.853 121.223 -0.045 0.000 2.529 519 L HA 0.441 4.782 4.340 0.001 0.000 0.258 519 L C -0.868 176.041 176.870 0.065 0.000 1.032 519 L CA -0.641 54.182 54.840 -0.027 0.000 0.899 519 L CB 1.463 43.412 42.059 -0.183 0.000 1.174 519 L HN 0.394 nan 8.230 nan 0.000 0.458 520 D N 3.154 123.609 120.400 0.092 0.000 2.947 520 D HA 0.429 5.069 4.640 0.001 0.000 0.224 520 D C -0.218 176.157 176.300 0.126 0.000 1.230 520 D CA -0.342 53.729 54.000 0.119 0.000 0.871 520 D CB 2.573 43.443 40.800 0.117 0.000 1.671 520 D HN 0.383 nan 8.370 nan 0.000 0.507 521 L N 2.072 123.372 121.223 0.130 0.000 3.184 521 L HA 0.197 4.537 4.340 0.001 0.000 0.283 521 L C 1.720 178.678 176.870 0.148 0.000 1.218 521 L CA -0.448 54.476 54.840 0.141 0.000 1.028 521 L CB 0.448 42.578 42.059 0.118 0.000 1.400 521 L HN 0.219 nan 8.230 nan 0.000 0.591 522 Q N 2.063 121.946 119.800 0.139 0.000 2.082 522 Q HA -0.150 4.190 4.340 0.001 0.000 0.211 522 Q C -0.640 175.461 176.000 0.169 0.000 1.002 522 Q CA 2.601 58.487 55.803 0.138 0.000 0.868 522 Q CB -1.212 27.601 28.738 0.125 0.000 0.931 522 Q HN 0.287 nan 8.270 nan 0.000 0.414 523 P HA -0.245 nan 4.420 nan 0.000 0.209 523 P C 1.335 178.818 177.300 0.305 0.000 1.167 523 P CA 1.726 64.978 63.100 0.252 0.000 0.941 523 P CB -0.690 31.162 31.700 0.253 0.000 0.787 524 C N -1.055 118.402 119.300 0.262 0.000 2.388 524 C HA -0.125 4.335 4.460 0.001 0.000 0.299 524 C C 2.626 177.759 174.990 0.238 0.000 1.390 524 C CA 0.514 59.667 59.018 0.225 0.000 1.808 524 C CB -2.197 25.703 27.740 0.268 0.000 1.831 524 C HN 0.130 nan 8.230 nan 0.000 0.548 525 I N -0.222 120.489 120.570 0.235 0.000 2.628 525 I HA 0.003 4.174 4.170 0.001 0.000 0.255 525 I C 2.381 178.621 176.117 0.204 0.000 1.119 525 I CA 0.590 62.045 61.300 0.258 0.000 1.448 525 I CB -0.795 37.349 38.000 0.239 0.000 1.133 525 I HN 0.157 nan 8.210 nan 0.000 0.438 526 E N 1.797 122.119 120.200 0.202 0.000 2.058 526 E HA -0.242 4.109 4.350 0.001 0.000 0.194 526 E C 2.250 178.964 176.600 0.189 0.000 0.997 526 E CA 1.176 57.685 56.400 0.182 0.000 0.801 526 E CB -0.751 29.063 29.700 0.190 0.000 0.746 526 E HN 0.466 nan 8.360 nan 0.000 0.450 527 L N 0.437 121.810 121.223 0.250 0.000 2.450 527 L HA -0.115 4.225 4.340 0.001 0.000 0.225 527 L C 1.979 178.918 176.870 0.116 0.000 1.145 527 L CA 0.965 55.901 54.840 0.160 0.000 0.801 527 L CB 0.052 41.987 42.059 -0.206 0.000 0.924 527 L HN 0.131 nan 8.230 nan 0.000 0.447 528 I N -3.098 117.521 120.570 0.082 0.000 4.887 528 I HA 0.001 4.171 4.170 0.001 0.000 0.349 528 I C 1.550 177.590 176.117 -0.129 0.000 1.266 528 I CA 0.052 61.348 61.300 -0.007 0.000 1.376 528 I CB 0.358 38.328 38.000 -0.051 0.000 1.556 528 I HN 0.149 nan 8.210 nan 0.000 0.530 529 E N 1.569 121.746 120.200 -0.038 0.000 2.121 529 E HA 0.040 4.390 4.350 0.001 0.000 0.194 529 E C 1.049 177.672 176.600 0.037 0.000 0.940 529 E CA -0.444 55.952 56.400 -0.008 0.000 0.884 529 E CB 0.130 29.910 29.700 0.133 0.000 0.874 529 E HN 0.229 nan 8.360 nan 0.000 0.471 530 R N 1.880 122.420 120.500 0.066 0.000 2.547 530 R HA -0.057 4.283 4.340 0.001 0.000 0.269 530 R C -2.098 174.231 176.300 0.048 0.000 0.968 530 R CA 0.075 56.211 56.100 0.060 0.000 1.101 530 R CB 0.574 30.917 30.300 0.072 0.000 0.898 530 R HN 0.111 nan 8.270 nan 0.000 0.416 531 P HA 0.114 nan 4.420 nan 0.000 0.186 531 P C -0.385 176.936 177.300 0.035 0.000 1.117 531 P CA 0.349 63.470 63.100 0.036 0.000 0.832 531 P CB -0.489 31.230 31.700 0.032 0.000 0.713 532 T N -1.036 113.536 114.554 0.030 0.000 2.619 532 T HA 0.128 4.478 4.350 0.001 0.000 0.330 532 T C 0.650 175.365 174.700 0.025 0.000 1.037 532 T CA -0.195 61.920 62.100 0.026 0.000 1.005 532 T CB -0.931 67.950 68.868 0.023 0.000 1.084 532 T HN 0.410 nan 8.240 nan 0.000 0.521 533 N N -0.981 117.730 118.700 0.019 0.000 6.631 533 N HA -0.129 4.612 4.740 0.001 0.000 0.405 533 N C -2.934 172.586 175.510 0.018 0.000 0.935 533 N CA 0.097 53.156 53.050 0.016 0.000 1.347 533 N CB -2.083 36.415 38.487 0.018 0.000 0.808 533 N HN 0.555 nan 8.380 nan 0.000 0.362 534 P HA 0.040 nan 4.420 nan 0.000 0.245 534 P C -2.194 175.127 177.300 0.034 0.000 1.123 534 P CA 0.002 63.112 63.100 0.018 0.000 0.853 534 P CB -0.712 30.997 31.700 0.015 0.000 0.786 535 P HA 0.087 nan 4.420 nan 0.000 0.270 535 P C 0.712 178.043 177.300 0.052 0.000 1.227 535 P CA 0.305 63.427 63.100 0.037 0.000 0.788 535 P CB 0.587 32.303 31.700 0.028 0.000 0.926 536 G N -0.243 108.593 108.800 0.060 0.000 2.441 536 G HA2 0.343 4.304 3.960 0.001 0.000 0.334 536 G HA3 0.343 4.304 3.960 0.001 0.000 0.334 536 G C 0.994 175.948 174.900 0.090 0.000 1.161 536 G CA -0.717 44.427 45.100 0.072 0.000 0.935 536 G HN 0.276 nan 8.290 nan 0.000 0.488 537 V N 1.075 121.063 119.914 0.124 0.000 2.317 537 V HA -0.240 3.880 4.120 0.001 0.000 0.251 537 V C 2.887 179.136 176.094 0.259 0.000 1.065 537 V CA 1.768 64.201 62.300 0.221 0.000 1.049 537 V CB -0.766 31.262 31.823 0.342 0.000 0.651 537 V HN 0.609 nan 8.190 nan 0.000 0.450 538 L N -0.541 120.772 121.223 0.149 0.000 2.046 538 L HA -0.157 4.183 4.340 0.001 0.000 0.208 538 L C 2.701 179.607 176.870 0.060 0.000 1.077 538 L CA 1.407 56.309 54.840 0.103 0.000 0.747 538 L CB -0.737 41.346 42.059 0.040 0.000 0.896 538 L HN 0.381 nan 8.230 nan 0.000 0.432 539 A N 0.633 123.491 122.820 0.063 0.000 1.852 539 A HA -0.255 4.065 4.320 0.001 0.000 0.217 539 A C 2.148 179.770 177.584 0.063 0.000 1.215 539 A CA 2.053 54.120 52.037 0.051 0.000 0.641 539 A CB -1.044 17.988 19.000 0.053 0.000 0.838 539 A HN 0.351 nan 8.150 nan 0.000 0.450 540 L N -1.337 119.960 121.223 0.123 0.000 1.951 540 L HA -0.238 4.102 4.340 0.001 0.000 0.222 540 L C 2.500 179.458 176.870 0.146 0.000 1.078 540 L CA 1.738 56.688 54.840 0.184 0.000 0.778 540 L CB -1.038 41.184 42.059 0.271 0.000 0.893 540 L HN 0.426 nan 8.230 nan 0.000 0.436 541 L N -0.142 121.135 121.223 0.091 0.000 2.456 541 L HA -0.259 4.082 4.340 0.001 0.000 0.225 541 L C 1.823 178.512 176.870 -0.301 0.000 1.142 541 L CA 1.593 56.174 54.840 -0.432 0.000 0.796 541 L CB -0.601 41.007 42.059 -0.751 0.000 0.920 541 L HN 0.299 nan 8.230 nan 0.000 0.446 542 D N -1.091 119.208 120.400 -0.169 0.000 2.214 542 D HA -0.143 4.498 4.640 0.001 0.000 0.217 542 D C 1.971 178.138 176.300 -0.221 0.000 0.973 542 D CA 1.282 55.141 54.000 -0.234 0.000 0.880 542 D CB -0.110 40.607 40.800 -0.138 0.000 1.031 542 D HN 0.530 nan 8.370 nan 0.000 0.468 543 E N 1.443 121.629 120.200 -0.023 0.000 2.046 543 E HA -0.167 4.184 4.350 0.001 0.000 0.190 543 E C 1.533 178.224 176.600 0.152 0.000 0.982 543 E CA 0.846 57.321 56.400 0.125 0.000 0.800 543 E CB -0.232 29.555 29.700 0.145 0.000 0.756 543 E HN 0.066 nan 8.360 nan 0.000 0.449 544 E N 0.470 120.742 120.200 0.121 0.000 2.455 544 E HA -0.135 4.216 4.350 0.001 0.000 0.202 544 E C 1.823 178.471 176.600 0.079 0.000 1.045 544 E CA 0.750 57.255 56.400 0.175 0.000 0.872 544 E CB -0.422 29.400 29.700 0.203 0.000 0.792 544 E HN 0.378 nan 8.360 nan 0.000 0.542 545 C N -0.302 118.970 119.300 -0.047 0.000 2.673 545 C HA 0.080 4.540 4.460 0.001 0.000 0.264 545 C C 0.695 175.645 174.990 -0.068 0.000 1.304 545 C CA -0.513 58.399 59.018 -0.178 0.000 1.727 545 C CB -0.725 26.769 27.740 -0.410 0.000 1.932 545 C HN 0.328 nan 8.230 nan 0.000 0.563 546 W N 1.807 123.151 121.300 0.074 0.000 1.853 546 W HA 0.474 5.134 4.660 0.001 0.000 0.290 546 W C -0.548 176.092 176.519 0.201 0.000 0.821 546 W CA -0.900 56.503 57.345 0.097 0.000 2.222 546 W CB -0.007 29.497 29.460 0.073 0.000 2.392 546 W HN 0.261 nan 8.180 nan 0.000 0.420 547 F N 3.088 123.157 119.950 0.198 0.000 2.767 547 F HA 0.365 4.892 4.527 0.001 0.000 0.341 547 F C -1.755 174.092 175.800 0.078 0.000 1.192 547 F CA -2.574 55.495 58.000 0.116 0.000 1.127 547 F CB 0.617 39.674 39.000 0.094 0.000 1.388 547 F HN -0.229 nan 8.300 nan 0.000 0.574 548 P HA -0.235 nan 4.420 nan 0.000 0.212 548 P C 0.370 177.355 177.300 -0.524 0.000 1.174 548 P CA 1.595 64.593 63.100 -0.170 0.000 0.934 548 P CB 0.146 31.870 31.700 0.040 0.000 0.791 549 K N 0.330 120.223 120.400 -0.844 0.000 3.277 549 K HA 0.289 4.609 4.320 0.001 0.000 0.291 549 K C -0.098 175.930 176.600 -0.952 0.000 0.994 549 K CA -0.285 55.588 56.287 -0.691 0.000 1.147 549 K CB -0.653 31.761 32.500 -0.145 0.000 1.185 549 K HN 0.165 nan 8.250 nan 0.000 0.422 550 A N 0.486 122.813 122.820 -0.822 0.000 2.414 550 A HA 0.585 4.905 4.320 0.001 0.000 0.306 550 A C -0.433 177.020 177.584 -0.218 0.000 1.054 550 A CA -0.684 51.077 52.037 -0.459 0.000 0.724 550 A CB 1.420 20.176 19.000 -0.406 0.000 1.267 550 A HN 0.249 nan 8.150 nan 0.000 0.418 551 T N -1.289 113.205 114.554 -0.101 0.000 2.883 551 T HA 0.440 4.791 4.350 0.001 0.000 0.301 551 T C 0.017 174.730 174.700 0.022 0.000 1.158 551 T CA -0.530 61.541 62.100 -0.049 0.000 1.007 551 T CB 1.370 70.212 68.868 -0.044 0.000 1.186 551 T HN 0.466 nan 8.240 nan 0.000 0.499 552 D N 1.462 121.879 120.400 0.028 0.000 2.242 552 D HA -0.227 4.414 4.640 0.001 0.000 0.190 552 D C 2.008 178.385 176.300 0.130 0.000 1.012 552 D CA 2.388 56.437 54.000 0.082 0.000 0.875 552 D CB -0.626 40.196 40.800 0.037 0.000 0.922 552 D HN 0.771 nan 8.370 nan 0.000 0.448 553 T N 0.991 115.574 114.554 0.047 0.000 2.569 553 T HA -0.211 4.139 4.350 0.001 0.000 0.263 553 T C 2.240 176.942 174.700 0.003 0.000 1.074 553 T CA 2.510 64.618 62.100 0.012 0.000 1.176 553 T CB -0.820 68.047 68.868 -0.001 0.000 0.863 553 T HN 0.320 nan 8.240 nan 0.000 0.410 554 S N 2.482 118.189 115.700 0.011 0.000 2.393 554 S HA -0.304 4.167 4.470 0.001 0.000 0.234 554 S C 1.752 176.369 174.600 0.029 0.000 1.064 554 S CA 1.816 60.024 58.200 0.013 0.000 1.088 554 S CB -1.338 61.864 63.200 0.003 0.000 0.939 554 S HN 0.451 nan 8.310 nan 0.000 0.448 555 F N 3.569 123.472 119.950 -0.079 0.000 2.000 555 F HA -0.145 4.382 4.527 0.001 0.000 0.296 555 F C 2.278 177.985 175.800 -0.155 0.000 1.159 555 F CA 1.863 59.801 58.000 -0.102 0.000 1.183 555 F CB -1.194 37.738 39.000 -0.113 0.000 0.959 555 F HN 0.109 nan 8.300 nan 0.000 0.490 556 V N 1.551 121.058 119.914 -0.679 0.000 2.252 556 V HA -0.409 3.712 4.120 0.001 0.000 0.255 556 V C 2.547 178.335 176.094 -0.510 0.000 1.071 556 V CA 2.445 64.279 62.300 -0.777 0.000 1.050 556 V CB -1.281 30.342 31.823 -0.333 0.000 0.654 556 V HN 0.464 nan 8.190 nan 0.000 0.448 557 E N 0.650 120.683 120.200 -0.278 0.000 2.070 557 E HA -0.292 4.059 4.350 0.001 0.000 0.197 557 E C 2.103 178.573 176.600 -0.217 0.000 1.004 557 E CA 1.848 58.139 56.400 -0.183 0.000 0.805 557 E CB -0.519 29.122 29.700 -0.097 0.000 0.744 557 E HN 0.682 nan 8.360 nan 0.000 0.451 558 K N 0.513 120.777 120.400 -0.226 0.000 2.057 558 K HA -0.130 4.191 4.320 0.001 0.000 0.207 558 K C 2.335 178.744 176.600 -0.318 0.000 1.049 558 K CA 0.697 56.868 56.287 -0.193 0.000 0.931 558 K CB -0.198 32.239 32.500 -0.105 0.000 0.714 558 K HN 0.004 nan 8.250 nan 0.000 0.440 559 L N 1.720 122.610 121.223 -0.556 0.000 2.021 559 L HA -0.258 4.083 4.340 0.001 0.000 0.215 559 L C 2.028 178.545 176.870 -0.588 0.000 1.074 559 L CA 1.606 56.032 54.840 -0.691 0.000 0.760 559 L CB -0.372 41.018 42.059 -1.115 0.000 0.889 559 L HN 0.253 nan 8.230 nan 0.000 0.433 560 I N -0.745 119.539 120.570 -0.476 0.000 2.286 560 I HA -0.294 3.877 4.170 0.001 0.000 0.248 560 I C 2.411 178.357 176.117 -0.286 0.000 1.115 560 I CA 1.547 62.618 61.300 -0.381 0.000 1.392 560 I CB -1.937 35.957 38.000 -0.176 0.000 1.065 560 I HN 0.580 nan 8.210 nan 0.000 0.418 561 Q N 1.918 121.580 119.800 -0.229 0.000 1.956 561 Q HA -0.251 4.089 4.340 0.001 0.000 0.208 561 Q C 1.922 177.831 176.000 -0.152 0.000 0.998 561 Q CA 1.937 57.648 55.803 -0.153 0.000 0.855 561 Q CB -0.114 28.551 28.738 -0.121 0.000 0.928 561 Q HN 0.449 nan 8.270 nan 0.000 0.418 562 E N 0.402 120.499 120.200 -0.172 0.000 1.993 562 E HA -0.165 4.186 4.350 0.001 0.000 0.198 562 E C 2.097 178.608 176.600 -0.147 0.000 0.999 562 E CA 1.159 57.479 56.400 -0.133 0.000 0.850 562 E CB -0.579 29.053 29.700 -0.114 0.000 0.796 562 E HN 0.347 nan 8.360 nan 0.000 0.482 563 Q N -0.381 119.285 119.800 -0.223 0.000 1.895 563 Q HA -0.123 4.218 4.340 0.001 0.000 0.217 563 Q C 1.910 177.784 176.000 -0.210 0.000 1.003 563 Q CA 1.728 57.412 55.803 -0.198 0.000 0.871 563 Q CB -1.246 27.245 28.738 -0.411 0.000 0.941 563 Q HN 0.542 nan 8.270 nan 0.000 0.421 564 G N 0.876 109.396 108.800 -0.467 0.000 4.637 564 G HA2 -0.507 3.453 3.960 0.001 0.000 0.359 564 G HA3 -0.507 3.453 3.960 0.001 0.000 0.359 564 G C 0.797 175.733 174.900 0.059 0.000 1.577 564 G CA 1.327 46.300 45.100 -0.212 0.000 1.463 564 G HN 0.621 nan 8.290 nan 0.000 0.849 565 N N 0.088 118.826 118.700 0.064 0.000 2.295 565 N HA 0.125 4.866 4.740 0.001 0.000 0.221 565 N C 0.620 176.234 175.510 0.174 0.000 1.129 565 N CA 0.284 53.406 53.050 0.121 0.000 0.836 565 N CB -0.064 38.459 38.487 0.061 0.000 1.040 565 N HN 0.657 nan 8.380 nan 0.000 0.494 566 H N 0.985 120.125 119.070 0.116 0.000 3.046 566 H HA 0.089 4.646 4.556 0.001 0.000 0.303 566 H C 1.174 176.603 175.328 0.169 0.000 1.002 566 H CA 0.594 56.725 56.048 0.138 0.000 1.460 566 H CB 1.257 31.117 29.762 0.164 0.000 1.493 566 H HN 0.406 nan 8.280 nan 0.000 0.559 567 A N 5.853 128.916 122.820 0.404 0.000 2.104 567 A HA -0.186 4.135 4.320 0.001 0.000 0.223 567 A C 1.965 179.758 177.584 0.347 0.000 1.164 567 A CA 1.539 53.762 52.037 0.309 0.000 0.659 567 A CB -0.063 19.055 19.000 0.196 0.000 0.808 567 A HN 0.575 nan 8.150 nan 0.000 0.465 568 K N -2.114 118.590 120.400 0.507 0.000 2.373 568 K HA 0.313 4.633 4.320 0.001 0.000 0.202 568 K C -0.603 176.027 176.600 0.050 0.000 1.025 568 K CA -0.234 56.134 56.287 0.136 0.000 1.115 568 K CB -0.025 32.478 32.500 0.004 0.000 0.858 568 K HN 0.477 nan 8.250 nan 0.000 0.525 569 F N 0.974 120.938 119.950 0.024 0.000 2.523 569 F HA 0.418 4.946 4.527 0.001 0.000 0.329 569 F C -0.514 175.332 175.800 0.077 0.000 1.061 569 F CA -0.566 57.462 58.000 0.046 0.000 0.967 569 F CB 1.429 40.472 39.000 0.072 0.000 1.218 569 F HN -0.178 nan 8.300 nan 0.000 0.480 570 Q N 4.165 123.427 119.800 -0.897 0.000 2.438 570 Q HA 0.226 4.567 4.340 0.001 0.000 0.272 570 Q C -1.846 173.781 176.000 -0.622 0.000 0.994 570 Q CA -0.930 54.615 55.803 -0.429 0.000 0.887 570 Q CB 2.310 30.907 28.738 -0.235 0.000 1.432 570 Q HN 0.839 nan 8.270 nan 0.000 0.392 571 K N 0.790 121.127 120.400 -0.105 0.000 2.144 571 K HA 0.471 4.791 4.320 0.001 0.000 0.270 571 K C 0.388 176.975 176.600 -0.021 0.000 1.005 571 K CA -0.313 55.998 56.287 0.039 0.000 0.932 571 K CB 1.361 33.955 32.500 0.156 0.000 1.021 571 K HN 0.623 nan 8.250 nan 0.000 0.462 572 S N 1.724 117.433 115.700 0.014 0.000 2.695 572 S HA -0.018 4.452 4.470 0.001 0.000 0.250 572 S C 0.056 174.653 174.600 -0.004 0.000 1.355 572 S CA -0.101 58.096 58.200 -0.006 0.000 0.965 572 S CB 0.048 63.261 63.200 0.023 0.000 0.987 572 S HN 0.612 nan 8.310 nan 0.000 0.576 573 K N 1.082 121.477 120.400 -0.008 0.000 2.758 573 K HA 0.293 4.614 4.320 0.001 0.000 0.250 573 K C -0.135 176.467 176.600 0.004 0.000 1.268 573 K CA 0.126 56.410 56.287 -0.005 0.000 1.228 573 K CB -0.902 31.591 32.500 -0.012 0.000 1.715 573 K HN 0.587 nan 8.250 nan 0.000 0.334 574 Q N 0.600 120.407 119.800 0.011 0.000 2.423 574 Q HA -0.221 4.120 4.340 0.001 0.000 0.332 574 Q C -0.671 175.337 176.000 0.013 0.000 1.355 574 Q CA 0.365 56.177 55.803 0.014 0.000 0.947 574 Q CB -0.823 27.921 28.738 0.011 0.000 1.189 574 Q HN 0.414 nan 8.270 nan 0.000 0.418 575 L N 0.269 121.501 121.223 0.016 0.000 3.186 575 L HA 0.140 4.480 4.340 0.001 0.000 0.292 575 L C 0.574 177.457 176.870 0.022 0.000 1.303 575 L CA -0.228 54.622 54.840 0.016 0.000 0.940 575 L CB 0.530 42.597 42.059 0.013 0.000 1.358 575 L HN 0.060 nan 8.230 nan 0.000 0.581 576 K N -1.757 118.656 120.400 0.022 0.000 2.574 576 K HA -0.088 4.233 4.320 0.001 0.000 0.193 576 K C 1.159 177.767 176.600 0.014 0.000 1.035 576 K CA 1.045 57.344 56.287 0.020 0.000 0.982 576 K CB -0.689 31.818 32.500 0.013 0.000 0.795 576 K HN 0.449 nan 8.250 nan 0.000 0.491 577 D N 1.240 121.649 120.400 0.015 0.000 2.117 577 D HA -0.160 4.481 4.640 0.001 0.000 0.198 577 D C 1.514 177.825 176.300 0.018 0.000 0.982 577 D CA 1.034 55.042 54.000 0.014 0.000 0.828 577 D CB -0.044 40.765 40.800 0.014 0.000 0.967 577 D HN 0.083 nan 8.370 nan 0.000 0.464 578 K N -0.428 119.985 120.400 0.022 0.000 2.314 578 K HA 0.042 4.362 4.320 0.001 0.000 0.198 578 K C -0.314 176.302 176.600 0.026 0.000 1.045 578 K CA 0.909 57.212 56.287 0.027 0.000 0.988 578 K CB 0.082 32.599 32.500 0.029 0.000 0.783 578 K HN 0.293 nan 8.250 nan 0.000 0.484 579 T N 2.218 116.788 114.554 0.027 0.000 2.183 579 T HA -0.172 4.178 4.350 0.001 0.000 0.552 579 T C -0.573 174.168 174.700 0.068 0.000 0.866 579 T CA 0.569 62.689 62.100 0.032 0.000 2.936 579 T CB -1.617 67.257 68.868 0.010 0.000 1.770 579 T HN 0.475 nan 8.240 nan 0.000 0.456 580 E N 1.867 122.129 120.200 0.103 0.000 2.336 580 E HA 0.834 5.184 4.350 0.001 0.000 0.267 580 E C -0.282 176.482 176.600 0.273 0.000 0.906 580 E CA -1.439 55.053 56.400 0.153 0.000 0.781 580 E CB 1.812 31.536 29.700 0.040 0.000 1.261 580 E HN 0.485 nan 8.360 nan 0.000 0.436 581 F N -1.414 118.539 119.950 0.005 0.000 2.650 581 F HA 0.805 5.333 4.527 0.001 0.000 0.320 581 F C -1.064 174.682 175.800 -0.089 0.000 1.091 581 F CA -1.629 56.352 58.000 -0.032 0.000 0.962 581 F CB 0.866 39.964 39.000 0.163 0.000 1.363 581 F HN 0.498 nan 8.300 nan 0.000 0.482 582 C N 1.750 120.857 119.300 -0.321 0.000 2.614 582 C HA 0.894 5.354 4.460 0.001 0.000 0.320 582 C C -0.458 174.304 174.990 -0.379 0.000 1.200 582 C CA -0.878 57.940 59.018 -0.334 0.000 1.700 582 C CB 1.408 28.972 27.740 -0.293 0.000 2.275 582 C HN 0.749 nan 8.230 nan 0.000 0.492 583 I N 0.754 121.197 120.570 -0.211 0.000 2.692 583 I HA 0.374 4.544 4.170 0.001 0.000 0.293 583 I C -0.960 175.033 176.117 -0.207 0.000 1.200 583 I CA -0.633 60.576 61.300 -0.152 0.000 1.036 583 I CB 1.343 39.334 38.000 -0.015 0.000 1.258 583 I HN 0.402 nan 8.210 nan 0.000 0.421 584 L N 5.581 126.758 121.223 -0.076 0.000 2.404 584 L HA 0.294 4.635 4.340 0.001 0.000 0.277 584 L C 0.569 177.526 176.870 0.146 0.000 1.184 584 L CA -0.362 54.480 54.840 0.004 0.000 1.013 584 L CB -0.909 41.178 42.059 0.047 0.000 1.318 584 L HN 0.578 nan 8.230 nan 0.000 0.435 585 H N 1.972 121.195 119.070 0.255 0.000 2.172 585 H HA -0.044 4.512 4.556 0.001 0.000 0.346 585 H C 0.798 176.313 175.328 0.312 0.000 1.901 585 H CA 0.281 56.560 56.048 0.385 0.000 1.403 585 H CB 0.344 30.503 29.762 0.661 0.000 1.654 585 H HN 0.519 nan 8.280 nan 0.000 0.548 586 Y N -1.813 118.615 120.300 0.214 0.000 2.436 586 Y HA 0.371 4.922 4.550 0.001 0.000 0.288 586 Y C 1.915 177.744 175.900 -0.117 0.000 1.112 586 Y CA 0.384 58.507 58.100 0.038 0.000 1.220 586 Y CB -0.883 37.587 38.460 0.017 0.000 1.073 586 Y HN 0.383 nan 8.280 nan 0.000 0.552 587 A N 0.655 122.831 122.820 -1.074 0.000 2.238 587 A HA 0.572 4.893 4.320 0.001 0.000 0.208 587 A C 1.317 178.487 177.584 -0.689 0.000 1.177 587 A CA 0.745 51.938 52.037 -1.406 0.000 0.804 587 A CB -1.187 16.163 19.000 -2.750 0.000 0.823 587 A HN 0.994 nan 8.150 nan 0.000 0.482 588 G N -0.920 107.748 108.800 -0.220 0.000 2.371 588 G HA2 0.064 4.024 3.960 0.001 0.000 0.663 588 G HA3 0.064 4.024 3.960 0.001 0.000 0.663 588 G C -0.601 174.361 174.900 0.105 0.000 1.311 588 G CA -0.422 44.656 45.100 -0.036 0.000 0.985 588 G HN 0.326 nan 8.290 nan 0.000 0.566 589 K N -0.519 119.892 120.400 0.018 0.000 2.202 589 K HA 0.639 4.960 4.320 0.001 0.000 0.264 589 K C -0.413 176.144 176.600 -0.072 0.000 1.010 589 K CA -0.259 56.002 56.287 -0.044 0.000 0.940 589 K CB 1.092 33.550 32.500 -0.070 0.000 0.983 589 K HN 0.741 nan 8.250 nan 0.000 0.475 590 V N 1.858 121.658 119.914 -0.190 0.000 2.851 590 V HA 0.206 4.327 4.120 0.001 0.000 0.307 590 V C -0.888 174.959 176.094 -0.412 0.000 1.129 590 V CA -1.010 61.089 62.300 -0.336 0.000 0.932 590 V CB 2.211 33.715 31.823 -0.531 0.000 1.024 590 V HN 0.856 nan 8.190 nan 0.000 0.426 591 T N 3.264 117.586 114.554 -0.386 0.000 2.853 591 T HA 0.585 4.936 4.350 0.001 0.000 0.317 591 T C -0.670 173.827 174.700 -0.339 0.000 1.059 591 T CA -0.231 61.688 62.100 -0.301 0.000 0.954 591 T CB -0.134 68.631 68.868 -0.172 0.000 0.994 591 T HN 0.392 nan 8.240 nan 0.000 0.479 592 Y N 2.136 122.219 120.300 -0.362 0.000 2.301 592 Y HA 0.272 4.823 4.550 0.001 0.000 0.325 592 Y C 1.188 176.943 175.900 -0.242 0.000 1.203 592 Y CA -0.809 57.115 58.100 -0.293 0.000 1.255 592 Y CB 0.809 38.979 38.460 -0.484 0.000 1.232 592 Y HN 0.549 nan 8.280 nan 0.000 0.501 593 N N 1.766 120.547 118.700 0.134 0.000 2.699 593 N HA 0.277 5.018 4.740 0.001 0.000 0.232 593 N C 0.252 175.696 175.510 -0.110 0.000 1.027 593 N CA -0.096 52.990 53.050 0.060 0.000 0.920 593 N CB 0.754 39.309 38.487 0.113 0.000 1.148 593 N HN 0.905 nan 8.380 nan 0.000 0.509 594 A N 2.419 125.010 122.820 -0.382 0.000 2.234 594 A HA -0.110 4.211 4.320 0.001 0.000 0.216 594 A C 1.167 178.361 177.584 -0.651 0.000 1.167 594 A CA 0.567 51.929 52.037 -1.125 0.000 0.698 594 A CB -0.343 18.468 19.000 -0.314 0.000 0.779 594 A HN 0.633 nan 8.150 nan 0.000 0.475 595 S N -0.865 114.728 115.700 -0.177 0.000 2.546 595 S HA 0.321 4.792 4.470 0.001 0.000 0.290 595 S C 1.102 175.818 174.600 0.194 0.000 1.290 595 S CA 0.673 58.892 58.200 0.033 0.000 1.069 595 S CB 0.148 63.393 63.200 0.074 0.000 0.846 595 S HN 2.073 nan 8.310 nan 0.000 0.495 596 A N 3.895 126.814 122.820 0.165 0.000 3.172 596 A HA -0.162 4.159 4.320 0.001 0.000 0.263 596 A C 1.077 178.802 177.584 0.236 0.000 1.215 596 A CA 1.422 53.577 52.037 0.197 0.000 1.065 596 A CB -2.744 16.389 19.000 0.221 0.000 1.148 596 A HN 0.996 nan 8.150 nan 0.000 0.904 597 W N -0.075 121.160 121.300 -0.109 0.000 2.358 597 W HA -0.036 4.624 4.660 0.001 0.000 0.303 597 W C 2.205 178.478 176.519 -0.411 0.000 1.208 597 W CA 1.749 58.901 57.345 -0.321 0.000 1.274 597 W CB -0.775 28.416 29.460 -0.448 0.000 1.138 597 W HN 0.507 nan 8.180 nan 0.000 0.515 598 L N -0.492 120.672 121.223 -0.099 0.000 2.083 598 L HA -0.228 4.113 4.340 0.001 0.000 0.209 598 L C 2.294 179.095 176.870 -0.115 0.000 1.083 598 L CA 1.823 56.555 54.840 -0.181 0.000 0.752 598 L CB -1.479 40.498 42.059 -0.137 0.000 0.899 598 L HN -0.016 nan 8.230 nan 0.000 0.433 599 T N -1.054 113.493 114.554 -0.011 0.000 2.668 599 T HA -0.202 4.149 4.350 0.001 0.000 0.262 599 T C 1.894 176.640 174.700 0.076 0.000 1.045 599 T CA 1.104 63.258 62.100 0.090 0.000 1.152 599 T CB -0.208 68.802 68.868 0.237 0.000 0.864 599 T HN 0.189 nan 8.240 nan 0.000 0.419 600 K N 1.111 121.535 120.400 0.041 0.000 2.032 600 K HA -0.085 4.235 4.320 0.001 0.000 0.209 600 K C 2.452 179.031 176.600 -0.035 0.000 1.048 600 K CA 1.203 57.502 56.287 0.020 0.000 0.927 600 K CB -0.246 32.267 32.500 0.021 0.000 0.712 600 K HN 0.131 nan 8.250 nan 0.000 0.441 601 N N 0.397 118.985 118.700 -0.187 0.000 2.430 601 N HA -0.167 4.573 4.740 0.001 0.000 0.186 601 N C 1.405 176.815 175.510 -0.167 0.000 1.032 601 N CA 1.158 54.071 53.050 -0.229 0.000 0.893 601 N CB 0.126 38.340 38.487 -0.454 0.000 0.957 601 N HN 0.167 nan 8.380 nan 0.000 0.442 602 M N -0.282 119.253 119.600 -0.109 0.000 2.615 602 M HA 0.088 4.569 4.480 0.001 0.000 0.262 602 M C -0.658 175.669 176.300 0.044 0.000 1.198 602 M CA 0.366 55.627 55.300 -0.063 0.000 1.165 602 M CB 0.406 32.981 32.600 -0.042 0.000 1.310 602 M HN -0.098 nan 8.290 nan 0.000 0.494 603 D N 1.456 121.898 120.400 0.070 0.000 3.082 603 D HA -0.111 4.529 4.640 0.001 0.000 0.234 603 D C -2.460 173.922 176.300 0.137 0.000 1.159 603 D CA 0.328 54.388 54.000 0.100 0.000 0.875 603 D CB -0.162 40.685 40.800 0.079 0.000 0.946 603 D HN 0.234 nan 8.370 nan 0.000 0.411 604 P HA 0.761 nan 4.420 nan 0.000 0.285 604 P C -1.073 176.354 177.300 0.212 0.000 1.285 604 P CA -0.877 62.342 63.100 0.198 0.000 0.854 604 P CB 1.544 33.371 31.700 0.211 0.000 1.180 605 L N -0.126 121.202 121.223 0.174 0.000 2.940 605 L HA 0.293 4.633 4.340 0.001 0.000 0.247 605 L C -1.093 175.834 176.870 0.095 0.000 0.970 605 L CA -0.506 54.426 54.840 0.153 0.000 1.003 605 L CB 1.395 43.537 42.059 0.140 0.000 1.552 605 L HN 0.383 nan 8.230 nan 0.000 0.432 606 N N 2.923 121.661 118.700 0.063 0.000 2.380 606 N HA -0.060 4.681 4.740 0.001 0.000 0.292 606 N C 0.183 175.678 175.510 -0.025 0.000 1.302 606 N CA 0.689 53.740 53.050 0.002 0.000 1.007 606 N CB 0.363 38.823 38.487 -0.045 0.000 1.408 606 N HN 0.693 nan 8.380 nan 0.000 0.487 607 D N 2.965 123.360 120.400 -0.008 0.000 2.265 607 D HA -0.195 4.446 4.640 0.001 0.000 0.208 607 D C 1.044 177.311 176.300 -0.055 0.000 0.977 607 D CA 0.875 54.864 54.000 -0.019 0.000 0.871 607 D CB -0.219 40.584 40.800 0.004 0.000 0.925 607 D HN 0.427 nan 8.370 nan 0.000 0.485 608 N N 0.318 118.980 118.700 -0.062 0.000 2.018 608 N HA -0.167 4.573 4.740 0.001 0.000 0.196 608 N C 1.818 177.269 175.510 -0.098 0.000 1.043 608 N CA 1.599 54.604 53.050 -0.076 0.000 0.856 608 N CB -0.315 38.119 38.487 -0.088 0.000 1.042 608 N HN 0.107 nan 8.380 nan 0.000 0.423 609 V N -0.178 119.658 119.914 -0.130 0.000 2.591 609 V HA -0.141 3.980 4.120 0.001 0.000 0.249 609 V C 1.835 177.806 176.094 -0.205 0.000 1.053 609 V CA 1.684 63.902 62.300 -0.136 0.000 1.068 609 V CB -0.731 30.986 31.823 -0.177 0.000 0.689 609 V HN 0.352 nan 8.190 nan 0.000 0.462 610 T N 1.122 115.544 114.554 -0.220 0.000 2.486 610 T HA -0.241 4.109 4.350 0.001 0.000 0.257 610 T C 1.993 176.519 174.700 -0.290 0.000 1.175 610 T CA 2.763 64.671 62.100 -0.321 0.000 1.207 610 T CB -0.563 68.235 68.868 -0.116 0.000 0.864 610 T HN 0.758 nan 8.240 nan 0.000 0.405 611 S N 1.864 117.482 115.700 -0.137 0.000 2.400 611 S HA -0.115 4.355 4.470 0.001 0.000 0.232 611 S C 1.985 176.523 174.600 -0.103 0.000 1.025 611 S CA 1.181 59.329 58.200 -0.087 0.000 0.993 611 S CB -0.809 62.363 63.200 -0.045 0.000 0.808 611 S HN 0.388 nan 8.310 nan 0.000 0.478 612 L N 1.226 122.380 121.223 -0.114 0.000 2.051 612 L HA -0.163 4.177 4.340 0.001 0.000 0.214 612 L C 2.006 178.811 176.870 -0.108 0.000 1.076 612 L CA 1.709 56.499 54.840 -0.083 0.000 0.758 612 L CB -0.405 41.623 42.059 -0.053 0.000 0.890 612 L HN 0.279 nan 8.230 nan 0.000 0.433 613 L N -0.914 120.179 121.223 -0.216 0.000 2.095 613 L HA -0.127 4.214 4.340 0.001 0.000 0.204 613 L C 2.353 179.139 176.870 -0.140 0.000 1.080 613 L CA 1.291 55.978 54.840 -0.254 0.000 0.759 613 L CB -1.196 40.486 42.059 -0.628 0.000 0.914 613 L HN 0.359 nan 8.230 nan 0.000 0.439 614 N N 0.875 119.502 118.700 -0.122 0.000 2.313 614 N HA -0.285 4.456 4.740 0.001 0.000 0.196 614 N C 0.862 176.379 175.510 0.012 0.000 0.995 614 N CA 1.715 54.767 53.050 0.003 0.000 0.899 614 N CB 0.139 38.630 38.487 0.007 0.000 0.977 614 N HN 0.570 nan 8.380 nan 0.000 0.451 615 Q N -0.448 119.344 119.800 -0.013 0.000 2.086 615 Q HA 0.166 4.506 4.340 0.001 0.000 0.220 615 Q C 0.087 176.083 176.000 -0.007 0.000 0.792 615 Q CA -0.297 55.505 55.803 -0.002 0.000 1.062 615 Q CB 1.046 29.780 28.738 -0.006 0.000 1.198 615 Q HN 0.199 nan 8.270 nan 0.000 0.466 616 S N 0.021 115.711 115.700 -0.016 0.000 2.563 616 S HA -0.054 4.416 4.470 0.001 0.000 0.269 616 S C 1.536 176.137 174.600 0.001 0.000 1.364 616 S CA 0.414 58.605 58.200 -0.016 0.000 1.010 616 S CB 1.210 64.396 63.200 -0.024 0.000 0.877 616 S HN 0.371 nan 8.310 nan 0.000 0.549 617 S N 1.036 116.735 115.700 -0.002 0.000 2.383 617 S HA -0.136 4.335 4.470 0.001 0.000 0.227 617 S C 0.672 175.284 174.600 0.021 0.000 1.026 617 S CA 1.154 59.357 58.200 0.005 0.000 0.981 617 S CB -0.754 62.442 63.200 -0.006 0.000 0.818 617 S HN 0.857 nan 8.310 nan 0.000 0.472 618 D N 1.909 122.326 120.400 0.029 0.000 2.346 618 D HA 0.117 4.758 4.640 0.001 0.000 0.267 618 D C 0.994 177.329 176.300 0.059 0.000 1.320 618 D CA 0.116 54.147 54.000 0.052 0.000 0.951 618 D CB 0.595 41.433 40.800 0.064 0.000 1.079 618 D HN 0.332 nan 8.370 nan 0.000 0.509 619 K N 3.272 123.712 120.400 0.067 0.000 2.034 619 K HA -0.234 4.087 4.320 0.001 0.000 0.214 619 K C 1.762 178.419 176.600 0.095 0.000 1.051 619 K CA 1.059 57.390 56.287 0.073 0.000 0.931 619 K CB -0.229 32.315 32.500 0.073 0.000 0.715 619 K HN 0.420 nan 8.250 nan 0.000 0.446 620 F N 1.608 121.514 119.950 -0.074 0.000 2.091 620 F HA -0.238 4.290 4.527 0.001 0.000 0.299 620 F C 1.933 177.637 175.800 -0.161 0.000 1.103 620 F CA 1.498 59.395 58.000 -0.172 0.000 1.228 620 F CB -0.644 38.217 39.000 -0.232 0.000 0.984 620 F HN -0.178 nan 8.300 nan 0.000 0.477 621 V N 0.336 120.145 119.914 -0.176 0.000 2.759 621 V HA -0.174 3.947 4.120 0.001 0.000 0.256 621 V C 2.656 178.773 176.094 0.039 0.000 1.080 621 V CA 1.198 63.419 62.300 -0.131 0.000 1.101 621 V CB -1.960 29.887 31.823 0.040 0.000 0.698 621 V HN 0.459 nan 8.190 nan 0.000 0.477 622 A N 1.547 124.377 122.820 0.017 0.000 1.835 622 A HA -0.231 4.090 4.320 0.001 0.000 0.215 622 A C 2.020 179.630 177.584 0.043 0.000 1.199 622 A CA 2.000 54.068 52.037 0.053 0.000 0.615 622 A CB -0.806 18.220 19.000 0.044 0.000 0.838 622 A HN 0.568 nan 8.150 nan 0.000 0.444 623 D N 0.050 120.452 120.400 0.004 0.000 2.178 623 D HA -0.134 4.507 4.640 0.001 0.000 0.201 623 D C 1.874 178.134 176.300 -0.067 0.000 0.980 623 D CA 0.942 54.949 54.000 0.013 0.000 0.842 623 D CB -0.578 40.269 40.800 0.079 0.000 0.948 623 D HN 0.386 nan 8.370 nan 0.000 0.472 624 L N -0.744 120.320 121.223 -0.265 0.000 1.989 624 L HA -0.170 4.171 4.340 0.001 0.000 0.211 624 L C 2.203 178.848 176.870 -0.374 0.000 1.071 624 L CA 1.700 56.247 54.840 -0.488 0.000 0.749 624 L CB -0.267 41.301 42.059 -0.817 0.000 0.890 624 L HN 0.083 nan 8.230 nan 0.000 0.431 625 W N -0.556 120.649 121.300 -0.157 0.000 2.737 625 W HA -0.016 4.645 4.660 0.001 0.000 0.262 625 W C 2.311 178.801 176.519 -0.048 0.000 1.282 625 W CA 0.493 57.785 57.345 -0.088 0.000 1.386 625 W CB -0.151 29.262 29.460 -0.078 0.000 1.099 625 W HN 0.083 nan 8.180 nan 0.000 0.621 626 K N 1.942 122.431 120.400 0.147 0.000 2.370 626 K HA -0.283 4.037 4.320 0.001 0.000 0.204 626 K C 0.082 176.731 176.600 0.081 0.000 1.038 626 K CA 2.170 58.513 56.287 0.093 0.000 0.936 626 K CB -0.685 31.850 32.500 0.058 0.000 0.737 626 K HN 0.152 nan 8.250 nan 0.000 0.493 627 D N -0.048 120.402 120.400 0.083 0.000 2.458 627 D HA 0.107 4.748 4.640 0.001 0.000 0.258 627 D C -0.403 175.957 176.300 0.102 0.000 1.134 627 D CA -0.794 53.247 54.000 0.067 0.000 0.915 627 D CB 1.350 42.172 40.800 0.037 0.000 1.028 627 D HN -0.015 nan 8.370 nan 0.000 0.508 628 V N 1.763 121.745 119.914 0.112 0.000 3.085 628 V HA 0.025 4.145 4.120 0.001 0.000 0.345 628 V C 0.757 176.903 176.094 0.087 0.000 1.397 628 V CA -0.118 62.264 62.300 0.137 0.000 1.165 628 V CB 0.530 32.440 31.823 0.146 0.000 1.153 628 V HN 0.309 nan 8.190 nan 0.000 0.495 629 D N 0.510 120.947 120.400 0.061 0.000 2.348 629 D HA -0.018 4.623 4.640 0.001 0.000 0.216 629 D C 2.136 178.455 176.300 0.033 0.000 0.970 629 D CA 0.783 54.802 54.000 0.030 0.000 0.889 629 D CB 0.133 40.937 40.800 0.007 0.000 0.912 629 D HN 0.259 nan 8.370 nan 0.000 0.524 630 R N -0.103 120.439 120.500 0.070 0.000 2.365 630 R HA 0.103 4.444 4.340 0.001 0.000 0.223 630 R C 0.397 176.770 176.300 0.122 0.000 0.899 630 R CA -0.277 55.883 56.100 0.100 0.000 1.059 630 R CB 0.578 30.962 30.300 0.140 0.000 1.086 630 R HN 0.064 nan 8.270 nan 0.000 0.522 631 I N 1.702 122.341 120.570 0.115 0.000 3.245 631 I HA -0.122 4.049 4.170 0.001 0.000 0.290 631 I C 0.592 176.775 176.117 0.109 0.000 1.269 631 I CA 0.673 62.046 61.300 0.121 0.000 1.383 631 I CB -0.007 38.056 38.000 0.106 0.000 1.337 631 I HN -0.255 nan 8.210 nan 0.000 0.599 632 V N 2.772 122.755 119.914 0.115 0.000 2.417 632 V HA 0.648 4.768 4.120 0.001 0.000 0.291 632 V C 0.582 176.725 176.094 0.082 0.000 1.024 632 V CA -0.334 62.033 62.300 0.112 0.000 0.861 632 V CB 1.460 33.369 31.823 0.144 0.000 0.985 632 V HN 0.982 nan 8.190 nan 0.000 0.436 633 G N 4.683 113.520 108.800 0.061 0.000 4.142 633 G HA2 0.604 4.564 3.960 0.001 0.000 0.310 633 G HA3 0.604 4.564 3.960 0.001 0.000 0.310 633 G C -1.237 173.680 174.900 0.028 0.000 1.384 633 G CA -0.023 45.098 45.100 0.036 0.000 0.838 633 G HN 0.593 nan 8.290 nan 0.000 0.512 657 R N 1.449 121.868 120.500 -0.136 0.000 2.486 657 R HA 0.492 4.833 4.340 0.001 0.000 0.286 657 R C -0.709 175.581 176.300 -0.017 0.000 0.999 657 R CA 0.199 56.166 56.100 -0.221 0.000 0.993 657 R CB 1.307 31.356 30.300 -0.418 0.000 1.084 657 R HN 0.444 nan 8.270 nan 0.000 0.487 658 T N 2.107 116.618 114.554 -0.072 0.000 2.907 658 T HA 0.103 4.454 4.350 0.001 0.000 0.298 658 T C 1.353 176.026 174.700 -0.044 0.000 1.017 658 T CA -0.446 61.572 62.100 -0.137 0.000 1.118 658 T CB 0.749 69.464 68.868 -0.255 0.000 0.948 658 T HN 0.328 nan 8.240 nan 0.000 0.531 659 V N 5.318 125.222 119.914 -0.017 0.000 2.219 659 V HA -0.129 3.992 4.120 0.001 0.000 0.248 659 V C 2.714 178.876 176.094 0.112 0.000 1.053 659 V CA 2.768 65.105 62.300 0.062 0.000 1.009 659 V CB -1.245 30.635 31.823 0.094 0.000 0.636 659 V HN 1.118 nan 8.190 nan 0.000 0.445 660 G N -1.888 106.996 108.800 0.141 0.000 2.517 660 G HA2 -0.382 3.579 3.960 0.001 0.000 0.222 660 G HA3 -0.382 3.579 3.960 0.001 0.000 0.222 660 G C 1.497 176.479 174.900 0.136 0.000 1.109 660 G CA 1.355 46.569 45.100 0.189 0.000 0.746 660 G HN 0.586 nan 8.290 nan 0.000 0.576 661 Q N -1.349 118.489 119.800 0.063 0.000 2.392 661 Q HA 0.267 4.608 4.340 0.001 0.000 0.219 661 Q C 2.202 178.221 176.000 0.031 0.000 0.895 661 Q CA -0.168 55.654 55.803 0.032 0.000 0.929 661 Q CB -0.098 28.636 28.738 -0.007 0.000 1.077 661 Q HN 0.270 nan 8.270 nan 0.000 0.532 662 L N 0.050 121.305 121.223 0.052 0.000 2.017 662 L HA -0.123 4.217 4.340 0.001 0.000 0.208 662 L C 1.885 178.820 176.870 0.108 0.000 1.073 662 L CA 1.826 56.701 54.840 0.058 0.000 0.745 662 L CB -1.192 40.909 42.059 0.069 0.000 0.894 662 L HN 0.382 nan 8.230 nan 0.000 0.432 663 Y N 0.839 121.155 120.300 0.027 0.000 2.113 663 Y HA -0.232 4.319 4.550 0.001 0.000 0.269 663 Y C 2.536 178.470 175.900 0.058 0.000 1.098 663 Y CA 1.903 60.032 58.100 0.048 0.000 1.083 663 Y CB -0.785 37.693 38.460 0.030 0.000 0.997 663 Y HN 0.062 nan 8.280 nan 0.000 0.476 664 K N 0.479 120.780 120.400 -0.165 0.000 2.531 664 K HA -0.316 4.004 4.320 0.001 0.000 0.199 664 K C 1.509 178.008 176.600 -0.168 0.000 1.047 664 K CA 2.016 58.165 56.287 -0.230 0.000 0.930 664 K CB -0.179 32.332 32.500 0.019 0.000 0.762 664 K HN 0.562 nan 8.250 nan 0.000 0.498 665 E N -0.122 120.007 120.200 -0.119 0.000 2.099 665 E HA -0.099 4.251 4.350 0.001 0.000 0.191 665 E C 1.941 178.486 176.600 -0.092 0.000 0.962 665 E CA 0.783 57.137 56.400 -0.077 0.000 0.826 665 E CB 0.100 29.778 29.700 -0.035 0.000 0.788 665 E HN 0.464 nan 8.360 nan 0.000 0.461 666 Q N 0.322 120.069 119.800 -0.088 0.000 2.172 666 Q HA -0.099 4.242 4.340 0.001 0.000 0.200 666 Q C 1.846 177.796 176.000 -0.084 0.000 0.964 666 Q CA 0.950 56.720 55.803 -0.054 0.000 0.855 666 Q CB -0.187 28.560 28.738 0.016 0.000 0.918 666 Q HN 0.296 nan 8.270 nan 0.000 0.444 667 L N 1.552 122.630 121.223 -0.241 0.000 2.622 667 L HA 0.027 4.367 4.340 0.001 0.000 0.233 667 L C 0.996 177.730 176.870 -0.226 0.000 1.156 667 L CA 1.309 55.961 54.840 -0.313 0.000 0.866 667 L CB 0.048 41.667 42.059 -0.734 0.000 0.980 667 L HN 0.350 nan 8.230 nan 0.000 0.448 668 T N -3.928 110.529 114.554 -0.162 0.000 2.990 668 T HA 0.038 4.389 4.350 0.001 0.000 0.249 668 T C 1.746 176.388 174.700 -0.097 0.000 1.039 668 T CA 0.076 62.106 62.100 -0.116 0.000 1.036 668 T CB 0.215 69.032 68.868 -0.084 0.000 0.994 668 T HN 0.158 nan 8.240 nan 0.000 0.489 669 K N 0.881 121.224 120.400 -0.095 0.000 1.984 669 K HA 0.042 4.363 4.320 0.001 0.000 0.209 669 K C 2.174 178.702 176.600 -0.120 0.000 1.046 669 K CA 1.011 57.244 56.287 -0.090 0.000 0.934 669 K CB -0.339 32.111 32.500 -0.083 0.000 0.717 669 K HN 0.170 nan 8.250 nan 0.000 0.438 670 L N 0.873 122.015 121.223 -0.134 0.000 1.971 670 L HA -0.198 4.143 4.340 0.001 0.000 0.215 670 L C 2.174 178.944 176.870 -0.167 0.000 1.072 670 L CA 1.860 56.575 54.840 -0.208 0.000 0.758 670 L CB -0.582 41.386 42.059 -0.153 0.000 0.889 670 L HN 0.223 nan 8.230 nan 0.000 0.433 671 M N -0.473 119.045 119.600 -0.137 0.000 2.426 671 M HA -0.177 4.303 4.480 0.001 0.000 0.261 671 M C 1.950 178.205 176.300 -0.075 0.000 1.068 671 M CA 1.901 57.138 55.300 -0.105 0.000 1.066 671 M CB -0.989 31.543 32.600 -0.115 0.000 1.399 671 M HN 0.418 nan 8.290 nan 0.000 0.449 672 T N -1.195 113.313 114.554 -0.076 0.000 2.814 672 T HA -0.081 4.270 4.350 0.001 0.000 0.254 672 T C 1.775 176.462 174.700 -0.022 0.000 1.037 672 T CA 1.905 63.976 62.100 -0.050 0.000 1.143 672 T CB -0.350 68.487 68.868 -0.051 0.000 0.866 672 T HN 0.619 nan 8.240 nan 0.000 0.431 673 T N 1.968 116.504 114.554 -0.031 0.000 2.821 673 T HA 0.009 4.360 4.350 0.001 0.000 0.267 673 T C 2.055 176.820 174.700 0.109 0.000 1.046 673 T CA 0.770 62.897 62.100 0.044 0.000 1.139 673 T CB -0.658 68.222 68.868 0.020 0.000 0.871 673 T HN 0.259 nan 8.240 nan 0.000 0.454 674 L N -0.074 121.187 121.223 0.063 0.000 2.079 674 L HA -0.027 4.314 4.340 0.001 0.000 0.210 674 L C 3.118 180.018 176.870 0.050 0.000 1.081 674 L CA 1.626 56.518 54.840 0.087 0.000 0.752 674 L CB -0.526 41.564 42.059 0.051 0.000 0.896 674 L HN 0.253 nan 8.230 nan 0.000 0.433 675 R N -0.308 120.206 120.500 0.024 0.000 2.316 675 R HA -0.047 4.294 4.340 0.001 0.000 0.202 675 R C 1.190 177.504 176.300 0.023 0.000 1.029 675 R CA 0.380 56.487 56.100 0.012 0.000 1.018 675 R CB -0.046 30.247 30.300 -0.013 0.000 0.888 675 R HN 0.244 nan 8.270 nan 0.000 0.471 676 N N -0.433 118.295 118.700 0.047 0.000 2.187 676 N HA 0.003 4.743 4.740 0.001 0.000 0.212 676 N C -0.390 175.157 175.510 0.062 0.000 1.152 676 N CA 0.268 53.352 53.050 0.057 0.000 0.872 676 N CB 0.896 39.430 38.487 0.079 0.000 1.025 676 N HN 0.200 nan 8.380 nan 0.000 0.514 677 T N -3.085 111.495 114.554 0.043 0.000 2.807 677 T HA 0.378 4.729 4.350 0.001 0.000 0.277 677 T C -0.417 174.249 174.700 -0.057 0.000 1.006 677 T CA -0.897 61.188 62.100 -0.025 0.000 1.006 677 T CB 1.711 70.565 68.868 -0.023 0.000 1.274 677 T HN -0.028 nan 8.240 nan 0.000 0.569 678 N N 1.998 120.635 118.700 -0.105 0.000 2.444 678 N HA 0.380 5.121 4.740 0.001 0.000 0.262 678 N C -2.693 172.740 175.510 -0.128 0.000 0.974 678 N CA -2.203 50.788 53.050 -0.098 0.000 0.933 678 N CB 1.538 39.966 38.487 -0.097 0.000 1.137 678 N HN 0.407 nan 8.380 nan 0.000 0.498 679 P HA 0.143 nan 4.420 nan 0.000 0.279 679 P C -1.517 175.610 177.300 -0.289 0.000 1.239 679 P CA -0.274 62.644 63.100 -0.304 0.000 0.789 679 P CB 0.933 32.398 31.700 -0.391 0.000 0.933 680 N N 2.835 121.322 118.700 -0.355 0.000 2.576 680 N HA 0.235 4.976 4.740 0.001 0.000 0.269 680 N C -0.999 174.382 175.510 -0.215 0.000 1.058 680 N CA -0.310 52.633 53.050 -0.178 0.000 0.860 680 N CB 0.788 39.209 38.487 -0.111 0.000 1.249 680 N HN 0.277 nan 8.380 nan 0.000 0.525 681 F N 0.994 121.003 119.950 0.098 0.000 2.420 681 F HA 0.210 4.737 4.527 0.001 0.000 0.352 681 F C 1.008 176.864 175.800 0.093 0.000 1.108 681 F CA -0.532 57.527 58.000 0.099 0.000 1.162 681 F CB 1.094 40.181 39.000 0.144 0.000 1.118 681 F HN 0.110 nan 8.300 nan 0.000 0.510 682 V N 5.200 125.245 119.914 0.218 0.000 2.294 682 V HA 0.197 4.318 4.120 0.001 0.000 0.258 682 V C 0.088 176.229 176.094 0.078 0.000 1.080 682 V CA -0.944 61.435 62.300 0.132 0.000 1.128 682 V CB -0.105 31.761 31.823 0.071 0.000 1.323 682 V HN 0.582 nan 8.190 nan 0.000 0.498 683 R N 0.740 121.290 120.500 0.083 0.000 2.998 683 R HA 0.024 4.364 4.340 0.001 0.000 0.274 683 R C 0.172 176.430 176.300 -0.070 0.000 1.393 683 R CA -0.067 56.022 56.100 -0.019 0.000 0.983 683 R CB -1.028 29.246 30.300 -0.044 0.000 1.111 683 R HN 0.496 nan 8.270 nan 0.000 0.514 684 C N 3.069 122.316 119.300 -0.089 0.000 2.665 684 C HA 0.208 4.668 4.460 0.001 0.000 0.416 684 C C 1.155 176.048 174.990 -0.161 0.000 1.305 684 C CA 0.007 58.938 59.018 -0.145 0.000 1.903 684 C CB -0.277 27.383 27.740 -0.132 0.000 2.704 684 C HN 0.662 nan 8.230 nan 0.000 0.629 685 I N 3.653 124.094 120.570 -0.214 0.000 2.512 685 I HA 0.271 4.442 4.170 0.001 0.000 0.287 685 I C -0.266 175.682 176.117 -0.281 0.000 1.069 685 I CA -0.359 60.804 61.300 -0.228 0.000 1.056 685 I CB 1.191 39.051 38.000 -0.234 0.000 1.229 685 I HN 0.506 nan 8.210 nan 0.000 0.429 686 I N 8.842 129.262 120.570 -0.251 0.000 2.496 686 I HA 0.133 4.304 4.170 0.001 0.000 0.285 686 I C -1.175 174.755 176.117 -0.311 0.000 1.080 686 I CA -1.331 59.803 61.300 -0.276 0.000 1.404 686 I CB 1.899 39.769 38.000 -0.217 0.000 1.403 686 I HN 0.380 nan 8.210 nan 0.000 0.539 687 P HA -0.005 nan 4.420 nan 0.000 0.224 687 P C -0.682 176.510 177.300 -0.181 0.000 1.159 687 P CA 0.780 63.692 63.100 -0.312 0.000 0.824 687 P CB 0.455 31.944 31.700 -0.353 0.000 0.833 688 N N -2.825 115.803 118.700 -0.121 0.000 3.043 688 N HA 0.112 4.853 4.740 0.001 0.000 0.243 688 N C -0.385 175.082 175.510 -0.072 0.000 1.347 688 N CA -0.750 52.244 53.050 -0.094 0.000 0.896 688 N CB -0.235 38.281 38.487 0.048 0.000 1.501 688 N HN -0.253 nan 8.380 nan 0.000 0.504 689 H N -1.143 117.969 119.070 0.070 0.000 2.575 689 H HA 0.261 4.818 4.556 0.001 0.000 0.267 689 H C 0.304 175.658 175.328 0.044 0.000 0.966 689 H CA -0.053 56.030 56.048 0.059 0.000 1.165 689 H CB 0.646 30.427 29.762 0.031 0.000 1.433 689 H HN 0.588 nan 8.280 nan 0.000 0.544 690 E N 1.198 121.477 120.200 0.132 0.000 2.502 690 E HA -0.086 4.264 4.350 0.001 0.000 0.194 690 E C 0.277 176.865 176.600 -0.019 0.000 1.062 690 E CA 0.066 56.504 56.400 0.062 0.000 0.867 690 E CB 0.218 29.951 29.700 0.056 0.000 0.888 690 E HN 0.290 nan 8.360 nan 0.000 0.510 691 K N 0.941 121.307 120.400 -0.057 0.000 3.088 691 K HA -0.193 4.127 4.320 0.001 0.000 0.273 691 K C -0.627 175.683 176.600 -0.484 0.000 1.111 691 K CA 0.475 56.511 56.287 -0.418 0.000 0.803 691 K CB -0.520 31.803 32.500 -0.296 0.000 1.226 691 K HN 0.017 nan 8.250 nan 0.000 0.485 692 R N 0.045 120.445 120.500 -0.166 0.000 2.368 692 R HA 0.480 4.820 4.340 0.001 0.000 0.302 692 R C -0.059 176.306 176.300 0.108 0.000 1.002 692 R CA 0.195 56.270 56.100 -0.041 0.000 0.929 692 R CB 1.622 31.949 30.300 0.045 0.000 1.073 692 R HN 0.269 nan 8.270 nan 0.000 0.464 693 A N 0.590 123.476 122.820 0.110 0.000 2.304 693 A HA 0.537 4.857 4.320 0.001 0.000 0.301 693 A C 1.051 178.754 177.584 0.198 0.000 1.132 693 A CA 0.332 52.505 52.037 0.227 0.000 0.819 693 A CB 0.776 19.876 19.000 0.166 0.000 1.094 693 A HN 0.858 nan 8.150 nan 0.000 0.492 694 G N 0.466 109.404 108.800 0.229 0.000 2.212 694 G HA2 -0.267 3.693 3.960 0.001 0.000 0.266 694 G HA3 -0.267 3.693 3.960 0.001 0.000 0.266 694 G C 0.387 175.525 174.900 0.396 0.000 0.978 694 G CA 1.005 46.248 45.100 0.239 0.000 0.632 694 G HN 0.955 nan 8.290 nan 0.000 0.537 695 K N 0.128 120.725 120.400 0.330 0.000 2.211 695 K HA 0.662 4.983 4.320 0.001 0.000 0.275 695 K C -0.846 175.931 176.600 0.294 0.000 1.024 695 K CA -0.973 55.492 56.287 0.295 0.000 0.887 695 K CB 0.773 33.383 32.500 0.183 0.000 1.084 695 K HN 0.364 nan 8.250 nan 0.000 0.463 696 L N 4.795 126.194 121.223 0.293 0.000 2.427 696 L HA 0.323 4.663 4.340 0.001 0.000 0.264 696 L C -1.286 175.620 176.870 0.060 0.000 0.989 696 L CA -0.511 54.390 54.840 0.102 0.000 0.865 696 L CB 1.321 43.362 42.059 -0.029 0.000 1.209 696 L HN 0.610 nan 8.230 nan 0.000 0.430 697 D N 3.794 124.197 120.400 0.006 0.000 2.382 697 D HA 0.252 4.893 4.640 0.001 0.000 0.259 697 D C 1.137 177.417 176.300 -0.034 0.000 1.224 697 D CA 0.785 54.789 54.000 0.008 0.000 0.894 697 D CB 1.888 42.687 40.800 -0.001 0.000 1.127 697 D HN 0.751 nan 8.370 nan 0.000 0.487 698 A N 4.602 127.404 122.820 -0.031 0.000 1.849 698 A HA -0.256 4.065 4.320 0.001 0.000 0.217 698 A C 1.848 179.338 177.584 -0.157 0.000 1.202 698 A CA 1.791 53.759 52.037 -0.116 0.000 0.629 698 A CB -0.932 17.956 19.000 -0.187 0.000 0.834 698 A HN 0.850 nan 8.150 nan 0.000 0.447 699 H N -1.097 117.956 119.070 -0.028 0.000 2.389 699 H HA 0.021 4.578 4.556 0.001 0.000 0.299 699 H C 1.989 177.285 175.328 -0.052 0.000 1.081 699 H CA 1.242 57.262 56.048 -0.045 0.000 1.345 699 H CB -0.124 29.608 29.762 -0.051 0.000 1.393 699 H HN 0.424 nan 8.280 nan 0.000 0.520 700 L N 0.110 121.365 121.223 0.054 0.000 2.081 700 L HA -0.173 4.168 4.340 0.001 0.000 0.212 700 L C 1.837 178.660 176.870 -0.079 0.000 1.080 700 L CA 1.061 55.887 54.840 -0.023 0.000 0.754 700 L CB -0.099 41.912 42.059 -0.080 0.000 0.893 700 L HN 0.153 nan 8.230 nan 0.000 0.433 701 V N -0.677 119.179 119.914 -0.096 0.000 3.235 701 V HA -0.133 3.987 4.120 0.001 0.000 0.259 701 V C 2.051 178.096 176.094 -0.082 0.000 1.133 701 V CA 0.603 62.826 62.300 -0.129 0.000 1.128 701 V CB 0.504 32.222 31.823 -0.175 0.000 0.757 701 V HN 0.334 nan 8.190 nan 0.000 0.469 702 L N -0.144 121.057 121.223 -0.037 0.000 2.131 702 L HA 0.012 4.352 4.340 0.001 0.000 0.206 702 L C 2.385 179.262 176.870 0.012 0.000 1.087 702 L CA 1.790 56.636 54.840 0.010 0.000 0.767 702 L CB -0.765 41.327 42.059 0.055 0.000 0.917 702 L HN 0.286 nan 8.230 nan 0.000 0.441 703 E N -0.566 119.633 120.200 -0.002 0.000 2.047 703 E HA -0.257 4.093 4.350 0.001 0.000 0.191 703 E C 2.061 178.614 176.600 -0.077 0.000 0.987 703 E CA 1.269 57.649 56.400 -0.033 0.000 0.799 703 E CB 0.069 29.738 29.700 -0.052 0.000 0.752 703 E HN 0.546 nan 8.360 nan 0.000 0.449 704 Q N 0.279 120.016 119.800 -0.105 0.000 2.062 704 Q HA -0.159 4.182 4.340 0.001 0.000 0.209 704 Q C 2.401 178.341 176.000 -0.100 0.000 0.996 704 Q CA 1.851 57.573 55.803 -0.135 0.000 0.859 704 Q CB -0.216 28.434 28.738 -0.146 0.000 0.920 704 Q HN 0.315 nan 8.270 nan 0.000 0.415 705 L N 0.148 121.330 121.223 -0.069 0.000 2.549 705 L HA -0.181 4.159 4.340 0.001 0.000 0.230 705 L C 2.183 179.050 176.870 -0.005 0.000 1.162 705 L CA 0.835 55.656 54.840 -0.032 0.000 0.834 705 L CB -0.303 41.743 42.059 -0.022 0.000 0.947 705 L HN 0.232 nan 8.230 nan 0.000 0.452 706 R N -0.359 120.130 120.500 -0.019 0.000 2.062 706 R HA -0.048 4.293 4.340 0.001 0.000 0.218 706 R C 2.425 178.720 176.300 -0.009 0.000 1.161 706 R CA 1.368 57.468 56.100 0.001 0.000 0.994 706 R CB -0.497 29.803 30.300 0.000 0.000 0.888 706 R HN 0.509 nan 8.270 nan 0.000 0.442 707 C N 0.727 119.992 119.300 -0.060 0.000 2.472 707 C HA 0.167 4.628 4.460 0.001 0.000 0.278 707 C C 1.662 176.650 174.990 -0.003 0.000 1.447 707 C CA -0.006 58.974 59.018 -0.064 0.000 1.773 707 C CB -0.888 26.710 27.740 -0.237 0.000 1.793 707 C HN 0.327 nan 8.230 nan 0.000 0.544 708 N N 0.748 119.421 118.700 -0.044 0.000 2.392 708 N HA 0.150 4.890 4.740 0.001 0.000 0.177 708 N C 1.555 177.009 175.510 -0.093 0.000 1.066 708 N CA 1.226 54.219 53.050 -0.094 0.000 0.895 708 N CB 0.387 38.776 38.487 -0.164 0.000 0.988 708 N HN 0.786 nan 8.380 nan 0.000 0.457 709 G N 0.826 109.653 108.800 0.044 0.000 2.160 709 G HA2 -0.256 3.704 3.960 0.001 0.000 0.244 709 G HA3 -0.256 3.704 3.960 0.001 0.000 0.244 709 G C 1.041 176.077 174.900 0.226 0.000 1.022 709 G CA 0.476 45.688 45.100 0.188 0.000 0.741 709 G HN 0.157 nan 8.290 nan 0.000 0.508 710 V N 0.893 120.900 119.914 0.155 0.000 2.220 710 V HA -0.251 3.869 4.120 0.001 0.000 0.246 710 V C 2.918 179.227 176.094 0.358 0.000 1.049 710 V CA 2.167 64.659 62.300 0.320 0.000 1.003 710 V CB -0.677 31.278 31.823 0.219 0.000 0.634 710 V HN 0.419 nan 8.190 nan 0.000 0.444 711 L N -0.002 121.350 121.223 0.215 0.000 1.991 711 L HA -0.265 4.076 4.340 0.001 0.000 0.221 711 L C 2.682 179.703 176.870 0.252 0.000 1.079 711 L CA 2.544 57.495 54.840 0.185 0.000 0.778 711 L CB -1.749 40.383 42.059 0.121 0.000 0.893 711 L HN 0.454 nan 8.230 nan 0.000 0.437 712 E N 0.025 120.394 120.200 0.282 0.000 2.058 712 E HA -0.169 4.181 4.350 0.001 0.000 0.194 712 E C 2.177 178.981 176.600 0.340 0.000 0.997 712 E CA 1.158 57.765 56.400 0.346 0.000 0.801 712 E CB -0.864 28.980 29.700 0.240 0.000 0.746 712 E HN 0.545 nan 8.360 nan 0.000 0.450 713 G N 0.104 109.139 108.800 0.393 0.000 2.516 713 G HA2 -0.226 3.734 3.960 0.001 0.000 0.221 713 G HA3 -0.226 3.734 3.960 0.001 0.000 0.221 713 G C 1.456 176.636 174.900 0.468 0.000 1.107 713 G CA 0.936 46.191 45.100 0.257 0.000 0.747 713 G HN 0.234 nan 8.290 nan 0.000 0.567 714 I N -1.517 119.272 120.570 0.364 0.000 3.616 714 I HA 0.154 4.324 4.170 0.001 0.000 0.296 714 I C 2.722 178.944 176.117 0.175 0.000 1.226 714 I CA -0.221 61.213 61.300 0.223 0.000 1.394 714 I CB 0.017 38.097 38.000 0.134 0.000 1.171 714 I HN -0.055 nan 8.210 nan 0.000 0.442 715 R N 0.672 121.305 120.500 0.222 0.000 2.094 715 R HA -0.217 4.123 4.340 0.001 0.000 0.239 715 R C 2.319 178.779 176.300 0.268 0.000 1.137 715 R CA 1.826 58.084 56.100 0.264 0.000 0.943 715 R CB -0.548 30.013 30.300 0.434 0.000 0.850 715 R HN 0.223 nan 8.270 nan 0.000 0.433 716 I N 0.760 121.479 120.570 0.250 0.000 2.286 716 I HA -0.275 3.895 4.170 0.001 0.000 0.248 716 I C 1.970 178.187 176.117 0.167 0.000 1.115 716 I CA 1.210 62.658 61.300 0.246 0.000 1.392 716 I CB -0.301 37.745 38.000 0.076 0.000 1.065 716 I HN 0.204 nan 8.210 nan 0.000 0.418 717 C N 0.794 120.165 119.300 0.119 0.000 2.422 717 C HA -0.133 4.327 4.460 0.001 0.000 0.279 717 C C 2.792 177.829 174.990 0.079 0.000 1.305 717 C CA 1.315 60.392 59.018 0.097 0.000 1.757 717 C CB -1.595 26.197 27.740 0.086 0.000 1.962 717 C HN 0.619 nan 8.230 nan 0.000 0.499 718 R N 0.233 120.786 120.500 0.088 0.000 2.105 718 R HA 0.023 4.364 4.340 0.001 0.000 0.214 718 R C 2.038 178.366 176.300 0.047 0.000 1.091 718 R CA 0.830 56.963 56.100 0.055 0.000 1.007 718 R CB -0.528 29.807 30.300 0.059 0.000 0.912 718 R HN 0.332 nan 8.270 nan 0.000 0.450 719 Q N 1.108 120.986 119.800 0.131 0.000 1.965 719 Q HA 0.067 4.408 4.340 0.001 0.000 0.200 719 Q C 1.342 177.462 176.000 0.200 0.000 0.981 719 Q CA 1.810 57.728 55.803 0.192 0.000 0.834 719 Q CB -0.688 28.256 28.738 0.344 0.000 0.900 719 Q HN 0.455 nan 8.270 nan 0.000 0.426 720 G N -0.479 108.476 108.800 0.257 0.000 2.509 720 G HA2 0.352 4.313 3.960 0.001 0.000 0.269 720 G HA3 0.352 4.313 3.960 0.001 0.000 0.269 720 G C -0.905 174.022 174.900 0.046 0.000 1.416 720 G CA -0.499 44.709 45.100 0.178 0.000 1.052 720 G HN 0.129 nan 8.290 nan 0.000 0.542 721 F N -0.285 119.686 119.950 0.035 0.000 2.453 721 F HA 0.385 4.912 4.527 0.001 0.000 0.358 721 F C -1.848 174.155 175.800 0.338 0.000 1.129 721 F CA -2.901 55.220 58.000 0.202 0.000 1.200 721 F CB 1.765 40.888 39.000 0.205 0.000 1.431 721 F HN 0.141 nan 8.300 nan 0.000 0.503 722 P HA -0.078 nan 4.420 nan 0.000 0.236 722 P C -0.247 177.186 177.300 0.221 0.000 1.172 722 P CA 0.993 64.242 63.100 0.248 0.000 0.759 722 P CB 0.153 31.943 31.700 0.150 0.000 0.843 723 N N 0.727 119.604 118.700 0.295 0.000 2.296 723 N HA 0.286 5.027 4.740 0.001 0.000 0.294 723 N C -0.320 175.312 175.510 0.203 0.000 1.033 723 N CA -0.503 52.691 53.050 0.240 0.000 0.839 723 N CB 2.051 40.711 38.487 0.288 0.000 1.395 723 N HN 0.063 nan 8.380 nan 0.000 0.479 724 R N 1.756 122.265 120.500 0.015 0.000 2.698 724 R HA 0.697 5.038 4.340 0.001 0.000 0.275 724 R C -1.422 174.799 176.300 -0.132 0.000 1.001 724 R CA -0.760 55.164 56.100 -0.294 0.000 0.896 724 R CB 1.864 31.653 30.300 -0.852 0.000 1.218 724 R HN 0.510 nan 8.270 nan 0.000 0.462 725 I N 2.465 122.955 120.570 -0.133 0.000 2.722 725 I HA 0.224 4.395 4.170 0.001 0.000 0.292 725 I C -1.083 174.998 176.117 -0.060 0.000 1.267 725 I CA -1.134 60.176 61.300 0.017 0.000 1.036 725 I CB 2.393 40.572 38.000 0.297 0.000 1.281 725 I HN 0.615 nan 8.210 nan 0.000 0.423 726 V N 7.495 127.359 119.914 -0.083 0.000 2.715 726 V HA 0.063 4.183 4.120 0.001 0.000 0.299 726 V C 0.853 176.982 176.094 0.059 0.000 1.054 726 V CA 0.363 62.571 62.300 -0.153 0.000 1.077 726 V CB 0.946 32.684 31.823 -0.142 0.000 0.972 726 V HN 0.752 nan 8.190 nan 0.000 0.484 727 F N 3.571 123.513 119.950 -0.013 0.000 2.204 727 F HA -0.232 4.296 4.527 0.001 0.000 0.301 727 F C 2.137 177.980 175.800 0.071 0.000 1.058 727 F CA 2.227 60.236 58.000 0.016 0.000 1.313 727 F CB -1.098 37.895 39.000 -0.012 0.000 1.051 727 F HN 0.770 nan 8.300 nan 0.000 0.505 728 Q N 0.672 120.603 119.800 0.217 0.000 2.089 728 Q HA -0.112 4.228 4.340 0.001 0.000 0.195 728 Q C 1.847 177.906 176.000 0.097 0.000 0.963 728 Q CA 1.661 57.547 55.803 0.139 0.000 0.834 728 Q CB -0.514 28.272 28.738 0.079 0.000 0.906 728 Q HN 0.295 nan 8.270 nan 0.000 0.452 729 E N -0.489 119.753 120.200 0.070 0.000 2.204 729 E HA -0.083 4.268 4.350 0.001 0.000 0.195 729 E C 1.301 177.881 176.600 -0.034 0.000 0.990 729 E CA 1.024 57.422 56.400 -0.003 0.000 0.821 729 E CB -0.223 29.468 29.700 -0.016 0.000 0.750 729 E HN 0.439 nan 8.360 nan 0.000 0.477 730 F N 0.901 120.832 119.950 -0.031 0.000 2.128 730 F HA -0.058 4.470 4.527 0.001 0.000 0.295 730 F C 2.163 177.940 175.800 -0.039 0.000 1.100 730 F CA 1.265 59.250 58.000 -0.025 0.000 1.260 730 F CB 0.094 39.197 39.000 0.172 0.000 1.009 730 F HN -0.146 nan 8.300 nan 0.000 0.476 731 R N 0.429 121.089 120.500 0.267 0.000 2.339 731 R HA -0.078 4.263 4.340 0.001 0.000 0.199 731 R C 1.672 177.964 176.300 -0.012 0.000 1.018 731 R CA 1.272 57.463 56.100 0.151 0.000 1.036 731 R CB -0.477 29.921 30.300 0.163 0.000 0.899 731 R HN 0.429 nan 8.270 nan 0.000 0.473 732 Q N 0.138 119.887 119.800 -0.085 0.000 2.159 732 Q HA 0.104 4.444 4.340 0.001 0.000 0.194 732 Q C 1.999 177.865 176.000 -0.223 0.000 0.968 732 Q CA 1.214 56.944 55.803 -0.120 0.000 0.837 732 Q CB -0.123 28.558 28.738 -0.095 0.000 0.920 732 Q HN 0.310 nan 8.270 nan 0.000 0.485 733 R N -1.010 119.237 120.500 -0.423 0.000 2.070 733 R HA -0.089 4.252 4.340 0.001 0.000 0.233 733 R C 0.720 176.745 176.300 -0.459 0.000 1.137 733 R CA 1.593 57.346 56.100 -0.579 0.000 0.945 733 R CB -0.108 29.565 30.300 -1.045 0.000 0.845 733 R HN 0.318 nan 8.270 nan 0.000 0.430 734 Y N 0.197 120.305 120.300 -0.319 0.000 2.683 734 Y HA 0.218 4.769 4.550 0.001 0.000 0.297 734 Y C 1.210 176.988 175.900 -0.203 0.000 1.147 734 Y CA -0.467 57.445 58.100 -0.314 0.000 1.274 734 Y CB -0.346 37.802 38.460 -0.520 0.000 1.143 734 Y HN 0.266 nan 8.280 nan 0.000 0.527 735 E N 1.081 121.255 120.200 -0.044 0.000 2.158 735 E HA -0.137 4.214 4.350 0.001 0.000 0.191 735 E C 1.978 178.577 176.600 -0.002 0.000 0.982 735 E CA 0.774 57.168 56.400 -0.010 0.000 0.823 735 E CB -0.186 29.502 29.700 -0.021 0.000 0.766 735 E HN 0.570 nan 8.360 nan 0.000 0.468 736 I N 0.744 121.308 120.570 -0.011 0.000 2.623 736 I HA -0.253 3.918 4.170 0.001 0.000 0.261 736 I C 1.476 177.590 176.117 -0.006 0.000 1.204 736 I CA 0.825 62.118 61.300 -0.011 0.000 1.444 736 I CB 0.099 38.090 38.000 -0.015 0.000 1.094 736 I HN 0.328 nan 8.210 nan 0.000 0.451 737 L N 0.541 121.766 121.223 0.003 0.000 2.162 737 L HA 0.072 4.412 4.340 0.001 0.000 0.205 737 L C 1.224 178.099 176.870 0.009 0.000 1.086 737 L CA 0.716 55.553 54.840 -0.005 0.000 0.778 737 L CB -0.445 41.602 42.059 -0.020 0.000 0.928 737 L HN 0.234 nan 8.230 nan 0.000 0.446 738 A N -0.581 122.251 122.820 0.021 0.000 2.664 738 A HA 0.618 4.938 4.320 0.001 0.000 0.338 738 A C 0.861 178.454 177.584 0.016 0.000 1.280 738 A CA -0.031 52.022 52.037 0.026 0.000 0.809 738 A CB 0.744 19.773 19.000 0.048 0.000 1.114 738 A HN 0.195 nan 8.150 nan 0.000 0.479 739 A N 1.589 124.412 122.820 0.005 0.000 2.066 739 A HA -0.037 4.284 4.320 0.001 0.000 0.218 739 A C 1.112 178.693 177.584 -0.005 0.000 1.157 739 A CA 1.312 53.347 52.037 -0.004 0.000 0.670 739 A CB -0.188 18.807 19.000 -0.008 0.000 0.804 739 A HN 0.714 nan 8.150 nan 0.000 0.453 740 N N -0.927 117.774 118.700 0.002 0.000 2.238 740 N HA 0.276 5.016 4.740 0.001 0.000 0.235 740 N C 1.089 176.602 175.510 0.006 0.000 1.209 740 N CA 0.724 53.773 53.050 -0.000 0.000 0.879 740 N CB 0.658 39.145 38.487 0.000 0.000 1.136 740 N HN 0.354 nan 8.380 nan 0.000 0.517 741 A N 0.916 123.744 122.820 0.014 0.000 1.903 741 A HA 0.170 4.490 4.320 0.001 0.000 0.213 741 A C 0.881 178.473 177.584 0.013 0.000 1.185 741 A CA 0.708 52.758 52.037 0.021 0.000 0.628 741 A CB -0.070 18.952 19.000 0.037 0.000 0.830 741 A HN 0.108 nan 8.150 nan 0.000 0.446 742 I N 1.377 121.953 120.570 0.009 0.000 2.342 742 I HA 0.320 4.491 4.170 0.001 0.000 0.291 742 I C -2.190 173.918 176.117 -0.016 0.000 1.010 742 I CA -2.128 59.172 61.300 -0.000 0.000 1.308 742 I CB 1.153 39.154 38.000 0.001 0.000 1.400 742 I HN 0.064 nan 8.210 nan 0.000 0.488 743 P HA 0.056 nan 4.420 nan 0.000 0.271 743 P C 0.744 178.009 177.300 -0.059 0.000 1.233 743 P CA -0.547 62.536 63.100 -0.028 0.000 0.789 743 P CB 0.669 32.358 31.700 -0.017 0.000 0.951 744 K N 0.730 121.090 120.400 -0.067 0.000 2.152 744 K HA -0.079 4.242 4.320 0.001 0.000 0.206 744 K C 1.076 177.567 176.600 -0.181 0.000 1.048 744 K CA 1.334 57.557 56.287 -0.107 0.000 0.933 744 K CB -0.761 31.690 32.500 -0.082 0.000 0.721 744 K HN 0.686 nan 8.250 nan 0.000 0.447 745 G N 0.244 108.964 108.800 -0.134 0.000 2.653 745 G HA2 0.251 4.212 3.960 0.001 0.000 0.265 745 G HA3 0.251 4.212 3.960 0.001 0.000 0.265 745 G C -0.195 174.586 174.900 -0.198 0.000 1.237 745 G CA -0.695 44.312 45.100 -0.155 0.000 0.946 745 G HN 0.059 nan 8.290 nan 0.000 0.522 746 F N -0.948 119.004 119.950 0.003 0.000 2.331 746 F HA 0.632 5.160 4.527 0.001 0.000 0.293 746 F C 0.810 176.612 175.800 0.003 0.000 1.277 746 F CA 0.196 58.199 58.000 0.004 0.000 1.204 746 F CB 0.652 39.654 39.000 0.005 0.000 1.374 746 F HN 0.340 nan 8.300 nan 0.000 0.520 747 M N 0.325 120.068 119.600 0.239 0.000 2.860 747 M HA 0.110 4.590 4.480 0.001 0.000 0.270 747 M C -2.050 174.304 176.300 0.090 0.000 0.988 747 M CA -0.797 54.573 55.300 0.118 0.000 0.807 747 M CB 1.296 33.934 32.600 0.064 0.000 1.708 747 M HN 0.595 nan 8.290 nan 0.000 0.558 748 D N 2.135 122.566 120.400 0.051 0.000 2.472 748 D HA 0.224 4.865 4.640 0.001 0.000 0.248 748 D C 1.302 177.611 176.300 0.015 0.000 1.174 748 D CA 1.707 55.728 54.000 0.035 0.000 0.883 748 D CB 1.112 41.921 40.800 0.015 0.000 1.149 748 D HN 0.647 nan 8.370 nan 0.000 0.488 749 G N 5.001 113.833 108.800 0.054 0.000 2.703 749 G HA2 -0.431 3.530 3.960 0.001 0.000 0.222 749 G HA3 -0.431 3.530 3.960 0.001 0.000 0.222 749 G C 1.352 176.189 174.900 -0.105 0.000 1.183 749 G CA 1.324 46.463 45.100 0.064 0.000 0.775 749 G HN 0.634 nan 8.290 nan 0.000 0.615 750 K N -0.238 120.016 120.400 -0.244 0.000 1.968 750 K HA -0.199 4.122 4.320 0.001 0.000 0.222 750 K C 2.480 178.791 176.600 -0.482 0.000 1.043 750 K CA 1.796 57.574 56.287 -0.850 0.000 0.991 750 K CB -0.663 31.466 32.500 -0.620 0.000 0.744 750 K HN 0.347 nan 8.250 nan 0.000 0.445 751 Q N 0.330 119.972 119.800 -0.263 0.000 2.103 751 Q HA -0.242 4.098 4.340 0.001 0.000 0.213 751 Q C 1.886 177.813 176.000 -0.122 0.000 1.008 751 Q CA 2.498 58.206 55.803 -0.159 0.000 0.879 751 Q CB -0.433 28.258 28.738 -0.079 0.000 0.946 751 Q HN 0.526 nan 8.270 nan 0.000 0.413 752 A N 0.125 122.895 122.820 -0.083 0.000 2.032 752 A HA -0.217 4.103 4.320 0.001 0.000 0.221 752 A C 2.458 180.024 177.584 -0.031 0.000 1.165 752 A CA 1.871 53.888 52.037 -0.034 0.000 0.645 752 A CB -1.089 17.914 19.000 0.005 0.000 0.807 752 A HN 0.767 nan 8.150 nan 0.000 0.453 753 C N -2.398 116.850 119.300 -0.087 0.000 2.590 753 C HA 0.318 4.778 4.460 0.001 0.000 0.272 753 C C 2.143 177.074 174.990 -0.097 0.000 1.338 753 C CA 0.357 59.358 59.018 -0.029 0.000 1.746 753 C CB -1.201 26.536 27.740 -0.006 0.000 2.020 753 C HN 0.377 nan 8.230 nan 0.000 0.531 754 I N 1.240 121.692 120.570 -0.197 0.000 2.614 754 I HA -0.048 4.123 4.170 0.001 0.000 0.258 754 I C 2.294 178.363 176.117 -0.081 0.000 1.189 754 I CA 1.072 62.255 61.300 -0.194 0.000 1.462 754 I CB -0.554 37.330 38.000 -0.193 0.000 1.092 754 I HN 0.255 nan 8.210 nan 0.000 0.442 755 L N 0.000 121.199 121.223 -0.041 0.000 1.994 755 L HA -0.182 4.159 4.340 0.001 0.000 0.208 755 L C 2.455 179.345 176.870 0.033 0.000 1.071 755 L CA 2.037 56.877 54.840 0.000 0.000 0.745 755 L CB -0.793 41.269 42.059 0.005 0.000 0.892 755 L HN 0.329 nan 8.230 nan 0.000 0.431 756 M N -2.942 116.696 119.600 0.064 0.000 2.632 756 M HA -0.079 4.402 4.480 0.001 0.000 0.256 756 M C 1.806 178.197 176.300 0.151 0.000 1.080 756 M CA 1.517 56.887 55.300 0.117 0.000 1.084 756 M CB -0.523 32.178 32.600 0.168 0.000 1.439 756 M HN 0.119 nan 8.290 nan 0.000 0.509 757 I N 0.324 120.949 120.570 0.092 0.000 2.584 757 I HA -0.085 4.086 4.170 0.001 0.000 0.255 757 I C 2.064 178.242 176.117 0.102 0.000 1.145 757 I CA 0.671 62.016 61.300 0.076 0.000 1.462 757 I CB -0.296 37.614 38.000 -0.151 0.000 1.102 757 I HN 0.283 nan 8.210 nan 0.000 0.433 758 K N 1.147 121.592 120.400 0.075 0.000 2.228 758 K HA 0.072 4.393 4.320 0.001 0.000 0.202 758 K C 2.050 178.697 176.600 0.079 0.000 1.051 758 K CA 1.016 57.353 56.287 0.083 0.000 0.960 758 K CB -0.271 32.265 32.500 0.059 0.000 0.743 758 K HN 0.204 nan 8.250 nan 0.000 0.458 759 A N 0.942 123.808 122.820 0.076 0.000 2.067 759 A HA -0.047 4.274 4.320 0.001 0.000 0.219 759 A C 1.856 179.485 177.584 0.076 0.000 1.158 759 A CA 0.991 53.069 52.037 0.068 0.000 0.661 759 A CB -0.356 18.683 19.000 0.065 0.000 0.801 759 A HN 0.217 nan 8.150 nan 0.000 0.452 760 L N -1.593 119.690 121.223 0.100 0.000 2.693 760 L HA 0.190 4.531 4.340 0.001 0.000 0.235 760 L C -0.013 176.922 176.870 0.108 0.000 1.127 760 L CA -0.005 54.896 54.840 0.102 0.000 0.914 760 L CB -0.363 41.770 42.059 0.123 0.000 1.193 760 L HN 0.359 nan 8.230 nan 0.000 0.502 761 E N 0.961 121.227 120.200 0.110 0.000 2.403 761 E HA -0.214 4.136 4.350 0.001 0.000 0.241 761 E C 0.038 176.720 176.600 0.136 0.000 1.201 761 E CA 0.085 56.551 56.400 0.110 0.000 0.721 761 E CB -0.950 28.795 29.700 0.076 0.000 1.245 761 E HN 0.255 nan 8.360 nan 0.000 0.392 762 L N 1.382 122.724 121.223 0.198 0.000 2.490 762 L HA 0.009 4.350 4.340 0.001 0.000 0.274 762 L C 1.020 178.036 176.870 0.244 0.000 1.201 762 L CA 0.942 55.934 54.840 0.253 0.000 0.869 762 L CB 0.328 42.629 42.059 0.403 0.000 1.123 762 L HN 0.236 nan 8.230 nan 0.000 0.484 763 D N 6.776 127.262 120.400 0.142 0.000 2.425 763 D HA 0.041 4.681 4.640 0.001 0.000 0.247 763 D C -1.706 174.549 176.300 -0.074 0.000 1.147 763 D CA -1.203 52.827 54.000 0.050 0.000 0.879 763 D CB 1.499 42.309 40.800 0.018 0.000 1.179 763 D HN 0.302 nan 8.370 nan 0.000 0.456 764 P HA -0.053 nan 4.420 nan 0.000 0.274 764 P C 0.288 177.395 177.300 -0.323 0.000 1.370 764 P CA 0.542 63.388 63.100 -0.423 0.000 0.760 764 P CB -0.016 31.582 31.700 -0.170 0.000 1.308 765 N N -0.735 117.849 118.700 -0.193 0.000 2.168 765 N HA 0.096 4.837 4.740 0.001 0.000 0.216 765 N C 1.376 176.868 175.510 -0.029 0.000 1.259 765 N CA -0.018 52.985 53.050 -0.078 0.000 0.902 765 N CB 0.462 38.921 38.487 -0.047 0.000 1.079 765 N HN 0.049 nan 8.380 nan 0.000 0.507 766 L N 0.494 121.720 121.223 0.006 0.000 2.127 766 L HA 0.077 4.418 4.340 0.001 0.000 0.203 766 L C 1.074 178.169 176.870 0.375 0.000 1.080 766 L CA 0.740 55.669 54.840 0.150 0.000 0.768 766 L CB -0.622 41.560 42.059 0.204 0.000 0.924 766 L HN 0.142 nan 8.230 nan 0.000 0.444 767 Y N -1.030 119.514 120.300 0.407 0.000 2.565 767 Y HA 0.798 5.349 4.550 0.001 0.000 0.325 767 Y C -0.322 175.756 175.900 0.297 0.000 1.221 767 Y CA -1.930 56.403 58.100 0.388 0.000 1.316 767 Y CB 0.787 39.414 38.460 0.279 0.000 1.404 767 Y HN -0.232 nan 8.280 nan 0.000 0.527 768 R N 1.914 122.668 120.500 0.424 0.000 2.659 768 R HA 0.367 4.708 4.340 0.001 0.000 0.290 768 R C -1.831 174.546 176.300 0.128 0.000 1.253 768 R CA -0.867 55.309 56.100 0.126 0.000 1.010 768 R CB 0.590 30.576 30.300 -0.523 0.000 1.236 768 R HN 0.757 nan 8.270 nan 0.000 0.413 769 I N 2.394 123.076 120.570 0.187 0.000 2.529 769 I HA 0.335 4.505 4.170 0.001 0.000 0.284 769 I C 1.303 177.517 176.117 0.161 0.000 1.082 769 I CA 0.527 61.899 61.300 0.120 0.000 1.406 769 I CB 0.961 38.998 38.000 0.062 0.000 1.405 769 I HN 0.693 nan 8.210 nan 0.000 0.548 770 G N 4.744 113.697 108.800 0.254 0.000 3.099 770 G HA2 0.194 4.154 3.960 0.001 0.000 0.151 770 G HA3 0.194 4.154 3.960 0.001 0.000 0.151 770 G C 0.411 175.440 174.900 0.215 0.000 1.265 770 G CA 0.089 45.316 45.100 0.212 0.000 0.981 770 G HN 0.482 nan 8.290 nan 0.000 0.601 771 Q N -0.787 119.070 119.800 0.094 0.000 2.178 771 Q HA 0.022 4.363 4.340 0.001 0.000 0.195 771 Q C 2.653 178.604 176.000 -0.080 0.000 0.960 771 Q CA 1.865 57.710 55.803 0.069 0.000 0.843 771 Q CB 0.136 28.890 28.738 0.028 0.000 0.927 771 Q HN 0.561 nan 8.270 nan 0.000 0.487 772 S N -0.853 114.600 115.700 -0.412 0.000 2.554 772 S HA 0.163 4.634 4.470 0.001 0.000 0.227 772 S C 0.408 174.096 174.600 -1.520 0.000 1.050 772 S CA -0.360 57.362 58.200 -0.796 0.000 0.927 772 S CB 0.531 63.517 63.200 -0.358 0.000 0.859 772 S HN 0.223 nan 8.310 nan 0.000 0.494 773 K N 0.330 120.099 120.400 -1.053 0.000 2.444 773 K HA 0.713 5.033 4.320 0.001 0.000 0.252 773 K C -1.301 175.063 176.600 -0.395 0.000 0.993 773 K CA -1.052 54.773 56.287 -0.769 0.000 0.847 773 K CB 1.423 33.603 32.500 -0.534 0.000 1.340 773 K HN 0.136 nan 8.250 nan 0.000 0.446 774 I N 1.221 121.624 120.570 -0.279 0.000 2.437 774 I HA 0.326 4.497 4.170 0.001 0.000 0.298 774 I C -0.929 174.864 176.117 -0.540 0.000 0.984 774 I CA -0.945 60.169 61.300 -0.310 0.000 1.214 774 I CB 0.938 38.578 38.000 -0.598 0.000 1.365 774 I HN 0.453 nan 8.210 nan 0.000 0.469 775 F N 5.278 125.012 119.950 -0.360 0.000 2.332 775 F HA 0.446 4.973 4.527 0.001 0.000 0.368 775 F C -0.141 175.637 175.800 -0.037 0.000 1.110 775 F CA -0.334 57.560 58.000 -0.176 0.000 1.087 775 F CB 0.625 39.485 39.000 -0.233 0.000 1.235 775 F HN 0.169 nan 8.300 nan 0.000 0.470 776 F N 1.758 121.967 119.950 0.432 0.000 2.411 776 F HA 0.636 5.164 4.527 0.001 0.000 0.324 776 F C 0.632 176.679 175.800 0.411 0.000 1.086 776 F CA -0.954 57.310 58.000 0.439 0.000 1.028 776 F CB 0.766 39.953 39.000 0.311 0.000 1.284 776 F HN 0.206 nan 8.300 nan 0.000 0.501 777 R N -0.308 120.492 120.500 0.499 0.000 2.532 777 R HA 0.412 4.752 4.340 0.001 0.000 0.272 777 R C -0.727 175.682 176.300 0.182 0.000 1.032 777 R CA -0.527 55.684 56.100 0.185 0.000 1.089 777 R CB 0.703 31.022 30.300 0.032 0.000 1.098 777 R HN 0.733 nan 8.270 nan 0.000 0.526 778 T N 0.890 115.511 114.554 0.111 0.000 2.923 778 T HA 0.220 4.570 4.350 0.001 0.000 0.304 778 T C 1.284 176.039 174.700 0.092 0.000 1.044 778 T CA 0.566 62.729 62.100 0.105 0.000 1.141 778 T CB 0.326 69.240 68.868 0.077 0.000 1.023 778 T HN 0.796 nan 8.240 nan 0.000 0.533 779 G N 1.457 110.315 108.800 0.097 0.000 2.377 779 G HA2 -0.357 3.603 3.960 0.001 0.000 0.250 779 G HA3 -0.357 3.603 3.960 0.001 0.000 0.250 779 G C 1.061 175.999 174.900 0.063 0.000 1.039 779 G CA 0.331 45.480 45.100 0.082 0.000 0.625 779 G HN 0.747 nan 8.290 nan 0.000 0.526 780 V N 0.621 120.570 119.914 0.059 0.000 2.392 780 V HA -0.128 3.992 4.120 0.001 0.000 0.249 780 V C 2.686 178.724 176.094 -0.093 0.000 1.059 780 V CA 2.104 64.408 62.300 0.006 0.000 1.051 780 V CB -0.416 31.444 31.823 0.063 0.000 0.658 780 V HN 0.379 nan 8.190 nan 0.000 0.455 781 L N -0.041 121.139 121.223 -0.071 0.000 2.270 781 L HA 0.160 4.500 4.340 0.001 0.000 0.210 781 L C 2.506 179.343 176.870 -0.055 0.000 1.104 781 L CA 1.809 56.582 54.840 -0.113 0.000 0.804 781 L CB -1.416 40.670 42.059 0.044 0.000 0.937 781 L HN 0.284 nan 8.230 nan 0.000 0.450 782 A N -0.880 121.959 122.820 0.031 0.000 1.877 782 A HA -0.313 4.007 4.320 0.001 0.000 0.216 782 A C 2.285 179.891 177.584 0.037 0.000 1.186 782 A CA 1.956 54.038 52.037 0.075 0.000 0.620 782 A CB -0.917 18.173 19.000 0.150 0.000 0.822 782 A HN 0.621 nan 8.150 nan 0.000 0.443 783 H N -0.876 118.152 119.070 -0.070 0.000 2.387 783 H HA -0.044 4.512 4.556 0.001 0.000 0.299 783 H C 1.771 176.996 175.328 -0.172 0.000 1.090 783 H CA 1.535 57.524 56.048 -0.098 0.000 1.332 783 H CB -0.120 29.588 29.762 -0.091 0.000 1.386 783 H HN 0.248 nan 8.280 nan 0.000 0.516 784 L N 0.745 121.763 121.223 -0.342 0.000 2.046 784 L HA -0.126 4.215 4.340 0.001 0.000 0.208 784 L C 2.368 178.853 176.870 -0.641 0.000 1.077 784 L CA 1.953 56.406 54.840 -0.646 0.000 0.747 784 L CB -1.110 40.390 42.059 -0.930 0.000 0.896 784 L HN 0.433 nan 8.230 nan 0.000 0.432 785 E N 0.069 120.047 120.200 -0.370 0.000 2.047 785 E HA -0.237 4.114 4.350 0.001 0.000 0.191 785 E C 2.030 178.565 176.600 -0.109 0.000 0.987 785 E CA 1.447 57.776 56.400 -0.118 0.000 0.799 785 E CB 0.023 29.730 29.700 0.012 0.000 0.752 785 E HN 0.388 nan 8.360 nan 0.000 0.449 786 E N 0.156 120.283 120.200 -0.121 0.000 2.026 786 E HA -0.291 4.060 4.350 0.001 0.000 0.206 786 E C 1.966 178.481 176.600 -0.142 0.000 1.028 786 E CA 1.952 58.296 56.400 -0.094 0.000 0.845 786 E CB -0.082 29.561 29.700 -0.094 0.000 0.772 786 E HN 0.239 nan 8.360 nan 0.000 0.462 787 E N 0.084 120.125 120.200 -0.265 0.000 2.095 787 E HA -0.327 4.023 4.350 0.001 0.000 0.212 787 E C 2.228 178.747 176.600 -0.134 0.000 1.044 787 E CA 1.677 57.939 56.400 -0.230 0.000 0.857 787 E CB -0.556 28.940 29.700 -0.340 0.000 0.764 787 E HN 0.314 nan 8.360 nan 0.000 0.462 788 R N 1.005 121.428 120.500 -0.127 0.000 2.103 788 R HA -0.195 4.146 4.340 0.001 0.000 0.242 788 R C 1.526 177.809 176.300 -0.028 0.000 1.142 788 R CA 2.125 58.197 56.100 -0.045 0.000 0.960 788 R CB -0.149 30.172 30.300 0.035 0.000 0.858 788 R HN 0.051 nan 8.270 nan 0.000 0.439 789 D N -0.069 120.313 120.400 -0.030 0.000 2.310 789 D HA -0.084 4.557 4.640 0.001 0.000 0.212 789 D C 1.519 177.809 176.300 -0.017 0.000 0.965 789 D CA 0.661 54.653 54.000 -0.014 0.000 0.879 789 D CB 0.153 40.950 40.800 -0.006 0.000 0.921 789 D HN 0.201 nan 8.370 nan 0.000 0.510 790 L N 0.164 121.368 121.223 -0.031 0.000 2.145 790 L HA 0.047 4.387 4.340 0.001 0.000 0.201 790 L C 2.064 178.921 176.870 -0.023 0.000 1.075 790 L CA 0.912 55.736 54.840 -0.026 0.000 0.773 790 L CB -0.078 41.958 42.059 -0.039 0.000 0.936 790 L HN -0.209 nan 8.230 nan 0.000 0.451 791 K N 0.349 120.731 120.400 -0.030 0.000 2.362 791 K HA -0.113 4.207 4.320 0.001 0.000 0.202 791 K C 1.545 178.135 176.600 -0.016 0.000 1.045 791 K CA 1.508 57.780 56.287 -0.024 0.000 0.936 791 K CB -0.092 32.391 32.500 -0.029 0.000 0.747 791 K HN 0.497 nan 8.250 nan 0.000 0.467 792 I N -4.128 116.434 120.570 -0.013 0.000 4.240 792 I HA 0.063 4.234 4.170 0.001 0.000 0.331 792 I C 1.388 177.507 176.117 0.003 0.000 1.381 792 I CA -0.232 61.063 61.300 -0.008 0.000 1.136 792 I CB 0.201 38.193 38.000 -0.013 0.000 1.137 792 I HN -0.247 nan 8.210 nan 0.000 0.411 793 T N 1.462 116.019 114.554 0.004 0.000 2.570 793 T HA -0.256 4.095 4.350 0.001 0.000 0.266 793 T C 1.328 176.040 174.700 0.021 0.000 1.071 793 T CA 2.428 64.535 62.100 0.012 0.000 1.172 793 T CB -1.099 67.773 68.868 0.007 0.000 0.864 793 T HN 0.594 nan 8.240 nan 0.000 0.421 794 D N 2.413 122.822 120.400 0.015 0.000 2.177 794 D HA -0.186 4.454 4.640 0.001 0.000 0.189 794 D C 2.154 178.473 176.300 0.032 0.000 1.002 794 D CA 1.597 55.608 54.000 0.018 0.000 0.845 794 D CB -1.387 39.420 40.800 0.011 0.000 0.960 794 D HN 0.419 nan 8.370 nan 0.000 0.447 795 V N 0.728 120.660 119.914 0.030 0.000 2.278 795 V HA -0.289 3.832 4.120 0.001 0.000 0.251 795 V C 2.506 178.654 176.094 0.089 0.000 1.062 795 V CA 1.555 63.881 62.300 0.045 0.000 1.038 795 V CB -0.723 31.110 31.823 0.016 0.000 0.646 795 V HN 0.217 nan 8.190 nan 0.000 0.447 796 I N -0.318 120.299 120.570 0.079 0.000 2.142 796 I HA -0.215 3.955 4.170 0.001 0.000 0.240 796 I C 2.467 178.659 176.117 0.126 0.000 1.078 796 I CA 1.764 63.140 61.300 0.127 0.000 1.343 796 I CB -1.030 37.019 38.000 0.081 0.000 1.046 796 I HN 0.266 nan 8.210 nan 0.000 0.405 797 I N 1.070 121.681 120.570 0.069 0.000 2.151 797 I HA -0.339 3.831 4.170 0.001 0.000 0.243 797 I C 2.745 178.888 176.117 0.043 0.000 1.080 797 I CA 1.799 63.125 61.300 0.042 0.000 1.339 797 I CB -0.267 37.748 38.000 0.025 0.000 1.039 797 I HN 0.188 nan 8.210 nan 0.000 0.409 798 A N 0.223 123.081 122.820 0.063 0.000 1.851 798 A HA -0.311 4.010 4.320 0.001 0.000 0.216 798 A C 2.250 179.887 177.584 0.088 0.000 1.195 798 A CA 2.103 54.179 52.037 0.065 0.000 0.622 798 A CB -1.248 17.796 19.000 0.074 0.000 0.831 798 A HN 0.485 nan 8.150 nan 0.000 0.444 799 F N 0.484 120.430 119.950 -0.007 0.000 2.069 799 F HA -0.226 4.302 4.527 0.001 0.000 0.298 799 F C 2.428 178.225 175.800 -0.006 0.000 1.113 799 F CA 2.338 60.332 58.000 -0.010 0.000 1.214 799 F CB -0.917 38.073 39.000 -0.016 0.000 0.978 799 F HN 0.341 nan 8.300 nan 0.000 0.474 800 Q N 0.207 119.912 119.800 -0.158 0.000 2.156 800 Q HA -0.306 4.034 4.340 0.001 0.000 0.211 800 Q C 2.344 178.198 176.000 -0.245 0.000 0.995 800 Q CA 2.491 58.150 55.803 -0.241 0.000 0.877 800 Q CB -0.650 28.053 28.738 -0.058 0.000 0.920 800 Q HN 0.600 nan 8.270 nan 0.000 0.416 801 A N 0.586 123.318 122.820 -0.147 0.000 1.834 801 A HA -0.296 4.024 4.320 0.001 0.000 0.216 801 A C 1.926 179.434 177.584 -0.127 0.000 1.203 801 A CA 1.840 53.816 52.037 -0.102 0.000 0.621 801 A CB -0.850 18.119 19.000 -0.052 0.000 0.841 801 A HN 0.441 nan 8.150 nan 0.000 0.446 802 Q N -0.720 118.998 119.800 -0.136 0.000 2.242 802 Q HA -0.261 4.079 4.340 0.001 0.000 0.211 802 Q C 2.404 178.325 176.000 -0.132 0.000 0.992 802 Q CA 1.799 57.541 55.803 -0.101 0.000 0.889 802 Q CB -0.822 27.874 28.738 -0.069 0.000 0.913 802 Q HN 0.789 nan 8.270 nan 0.000 0.422 803 C N 0.243 119.353 119.300 -0.317 0.000 2.453 803 C HA -0.088 4.373 4.460 0.001 0.000 0.277 803 C C 2.680 177.625 174.990 -0.075 0.000 1.262 803 C CA 0.556 59.410 59.018 -0.274 0.000 1.718 803 C CB -0.883 26.578 27.740 -0.465 0.000 2.031 803 C HN 0.498 nan 8.230 nan 0.000 0.480 804 R N 0.875 121.321 120.500 -0.091 0.000 2.120 804 R HA -0.024 4.316 4.340 0.001 0.000 0.234 804 R C 2.327 178.623 176.300 -0.006 0.000 1.123 804 R CA 1.524 57.602 56.100 -0.036 0.000 0.975 804 R CB -0.703 29.568 30.300 -0.048 0.000 0.866 804 R HN 0.651 nan 8.270 nan 0.000 0.446 805 G N 0.439 109.234 108.800 -0.008 0.000 2.575 805 G HA2 -0.359 3.602 3.960 0.001 0.000 0.215 805 G HA3 -0.359 3.602 3.960 0.001 0.000 0.215 805 G C 1.128 176.059 174.900 0.052 0.000 1.262 805 G CA 0.941 46.046 45.100 0.009 0.000 0.807 805 G HN 0.319 nan 8.290 nan 0.000 0.567 806 Y N 1.082 121.356 120.300 -0.043 0.000 1.977 806 Y HA -0.228 4.322 4.550 0.001 0.000 0.264 806 Y C 2.586 178.482 175.900 -0.007 0.000 1.167 806 Y CA 2.258 60.347 58.100 -0.019 0.000 1.102 806 Y CB -0.709 37.736 38.460 -0.026 0.000 0.948 806 Y HN 0.123 nan 8.280 nan 0.000 0.489 807 L N -0.552 120.850 121.223 0.297 0.000 2.357 807 L HA -0.289 4.052 4.340 0.001 0.000 0.220 807 L C 2.114 179.009 176.870 0.042 0.000 1.123 807 L CA 1.314 56.256 54.840 0.170 0.000 0.782 807 L CB -0.519 41.613 42.059 0.122 0.000 0.910 807 L HN 0.551 nan 8.230 nan 0.000 0.442 808 A N -0.179 122.651 122.820 0.017 0.000 1.919 808 A HA -0.038 4.282 4.320 0.001 0.000 0.211 808 A C 2.100 179.706 177.584 0.038 0.000 1.310 808 A CA 0.363 52.407 52.037 0.012 0.000 0.651 808 A CB -0.343 18.651 19.000 -0.011 0.000 0.996 808 A HN 0.359 nan 8.150 nan 0.000 0.479 809 R N 0.898 121.403 120.500 0.008 0.000 2.174 809 R HA -0.188 4.153 4.340 0.001 0.000 0.253 809 R C 1.506 177.896 176.300 0.151 0.000 1.165 809 R CA 1.573 57.727 56.100 0.090 0.000 0.984 809 R CB -0.780 29.524 30.300 0.006 0.000 0.873 809 R HN 0.432 nan 8.270 nan 0.000 0.456 810 K N 0.977 121.353 120.400 -0.040 0.000 2.021 810 K HA 0.091 4.411 4.320 0.001 0.000 0.205 810 K C 2.192 178.770 176.600 -0.037 0.000 1.047 810 K CA 1.197 57.425 56.287 -0.097 0.000 0.943 810 K CB -0.291 32.059 32.500 -0.251 0.000 0.725 810 K HN 0.229 nan 8.250 nan 0.000 0.439 811 A N 1.144 123.965 122.820 0.001 0.000 2.172 811 A HA -0.108 4.213 4.320 0.001 0.000 0.216 811 A C 1.833 179.445 177.584 0.046 0.000 1.154 811 A CA 0.835 52.880 52.037 0.013 0.000 0.701 811 A CB -0.609 18.406 19.000 0.024 0.000 0.789 811 A HN 0.405 nan 8.150 nan 0.000 0.465 812 F N 0.132 120.052 119.950 -0.051 0.000 2.188 812 F HA 0.335 4.862 4.527 0.001 0.000 0.289 812 F C 1.989 177.764 175.800 -0.042 0.000 1.082 812 F CA 0.847 58.822 58.000 -0.042 0.000 1.282 812 F CB -0.568 38.407 39.000 -0.043 0.000 1.060 812 F HN 0.098 nan 8.300 nan 0.000 0.493 813 A N 0.564 122.958 122.820 -0.711 0.000 2.277 813 A HA -0.069 4.252 4.320 0.001 0.000 0.208 813 A C 1.916 179.255 177.584 -0.409 0.000 1.202 813 A CA 1.484 53.043 52.037 -0.797 0.000 0.762 813 A CB -1.039 17.754 19.000 -0.345 0.000 0.770 813 A HN 0.647 nan 8.150 nan 0.000 0.487 814 K N -0.793 119.435 120.400 -0.287 0.000 2.172 814 K HA 0.134 4.455 4.320 0.001 0.000 0.203 814 K C 1.678 178.183 176.600 -0.158 0.000 1.040 814 K CA 0.670 56.858 56.287 -0.166 0.000 0.974 814 K CB -0.255 32.190 32.500 -0.092 0.000 0.857 814 K HN 0.020 nan 8.250 nan 0.000 0.464 815 R N 1.113 121.524 120.500 -0.147 0.000 2.249 815 R HA 0.010 4.351 4.340 0.001 0.000 0.230 815 R C 2.104 178.323 176.300 -0.136 0.000 1.121 815 R CA 1.359 57.397 56.100 -0.103 0.000 0.997 815 R CB -0.395 29.875 30.300 -0.051 0.000 0.867 815 R HN 0.546 nan 8.270 nan 0.000 0.465 816 Q N -0.266 119.393 119.800 -0.236 0.000 2.230 816 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 816 Q C 1.863 177.775 176.000 -0.147 0.000 0.963 816 Q CA 1.434 57.100 55.803 -0.229 0.000 0.866 816 Q CB 0.180 28.688 28.738 -0.383 0.000 0.931 816 Q HN 0.594 nan 8.270 nan 0.000 0.452 817 Q N -0.213 119.506 119.800 -0.135 0.000 2.083 817 Q HA -0.190 4.151 4.340 0.001 0.000 0.198 817 Q C 1.771 177.731 176.000 -0.067 0.000 0.969 817 Q CA 1.077 56.825 55.803 -0.092 0.000 0.838 817 Q CB -0.321 28.366 28.738 -0.084 0.000 0.900 817 Q HN 0.348 nan 8.270 nan 0.000 0.436 818 Q N 0.977 120.738 119.800 -0.064 0.000 2.291 818 Q HA -0.120 4.220 4.340 0.001 0.000 0.206 818 Q C 2.081 178.056 176.000 -0.042 0.000 0.976 818 Q CA 1.319 57.095 55.803 -0.046 0.000 0.875 818 Q CB -0.291 28.423 28.738 -0.041 0.000 0.927 818 Q HN 0.523 nan 8.270 nan 0.000 0.450 819 L N 0.292 121.484 121.223 -0.051 0.000 2.102 819 L HA 0.242 4.583 4.340 0.001 0.000 0.202 819 L C 1.997 178.843 176.870 -0.039 0.000 1.076 819 L CA 1.870 56.684 54.840 -0.042 0.000 0.761 819 L CB -0.715 41.315 42.059 -0.048 0.000 0.921 819 L HN 0.095 nan 8.230 nan 0.000 0.444 820 G N -0.127 108.644 108.800 -0.049 0.000 3.155 820 G HA2 0.098 4.058 3.960 0.001 0.000 0.213 820 G HA3 0.098 4.058 3.960 0.001 0.000 0.213 820 G C 0.408 175.287 174.900 -0.035 0.000 1.196 820 G CA 0.271 45.345 45.100 -0.042 0.000 0.846 820 G HN 0.391 nan 8.290 nan 0.000 0.516 821 S N 0.000 115.680 115.700 -0.033 0.000 2.498 821 S HA 0.000 4.471 4.470 0.001 0.000 0.327 821 S CA 0.000 58.184 58.200 -0.028 0.000 1.107 821 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 821 S HN 0.000 nan 8.310 nan 0.000 0.517