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 1l5j_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLEEYRKHVA ERAAEGIAPK PLDANQMAAL VELLKNPPAG EEEFLLDLLT DATA SEQUENCE NRVPPGVDEA AYVKAGFLAA IAKGEAKSPL LTPEKAIELL GTMQGGYNIH DATA SEQUENCE PLIDALDDAK LAPIAAKALS HTLLMFDNFY DVEEKAKAGN EYAKQVMQSW DATA SEQUENCE ADAEWFLNRP ALAEKLTVTV FKVTGETNTD DLSPAPDAWS RPDIPLHALA DATA SEQUENCE MLKNAREGIE PDQPGVVGPI KQIEALQQKG FPLAYVGDVV GTGSSRKSAT DATA SEQUENCE NSVLWFMGDD IPHVPNKRGG GLCLGGKIAP IFFNTMEDAG ALPIEVDVSN DATA SEQUENCE LNMGDVIDVY PYKGEVRNHE TGELLATFEL KTDVLIDEVR AGGRIPLIIG DATA SEQUENCE RGLTTKAREA LGLPHSDVFR QAKDVAESDR GFSLAQKMVG RACGVKGIRP DATA SEQUENCE GAYCEPKMTS VGSQDTTGPM TRDELKDLAC LGFSADLVMQ SFCHTAAYPK DATA SEQUENCE PVDVNTHHTL PDFIMNRGGV SLRPGDGVIH SWLNRMLLPD TVGTGGDSHT DATA SEQUENCE RFPIGISFPA GSGLVAFAAA TGVMPLDMPE SVLVRFKGKM QPGITLRDLV DATA SEQUENCE HAIPLYAIKQ GLLTVEKKGK KNIFSGRILE IEGLPDLKVE QAFELTDASA DATA SEQUENCE ERSAAGCTIK LNKEPIIEYL NSNIVLLKWM IAEGYGDRRT LERRIQGMEK DATA SEQUENCE WLANPELLEA DADAEYAAVI DIDLADIKEP ILCAPNDPDD ARPLSAVQGE DATA SEQUENCE KIDEVFIGSC MTNIGHFRAA GKLLDAHKGQ LPTRLWVAPP TRMDAAQLTE DATA SEQUENCE EGYYSVFGKS GARIEIPGCS LCMGNQARVA DGATVVSTST RNFPNRLGTG DATA SEQUENCE ANVFLASAEL AAVAALIGKL PTPEEYQTYV AQVDKTAVDT YRYLNFNQLS DATA SEQUENCE QYTEKADGVI FQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.379 176.300 0.131 0.000 1.140 1 M CA 0.000 55.334 55.300 0.056 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 L N 2.494 123.798 121.223 0.134 0.000 1.990 2 L HA -0.171 4.170 4.340 0.001 0.000 0.213 2 L C 2.156 179.151 176.870 0.208 0.000 1.072 2 L CA 2.846 57.814 54.840 0.214 0.000 0.755 2 L CB -0.984 41.174 42.059 0.165 0.000 0.889 2 L HN 0.599 nan 8.230 nan 0.000 0.432 3 E N -0.127 120.150 120.200 0.127 0.000 2.023 3 E HA -0.232 4.118 4.350 0.001 0.000 0.196 3 E C 2.099 178.764 176.600 0.108 0.000 1.003 3 E CA 1.864 58.320 56.400 0.094 0.000 0.809 3 E CB -0.154 29.582 29.700 0.060 0.000 0.755 3 E HN 0.542 nan 8.360 nan 0.000 0.449 4 E N -1.025 119.244 120.200 0.116 0.000 2.110 4 E HA -0.222 4.129 4.350 0.001 0.000 0.193 4 E C 2.024 178.727 176.600 0.172 0.000 0.988 4 E CA 1.183 57.653 56.400 0.117 0.000 0.804 4 E CB -0.340 29.418 29.700 0.096 0.000 0.745 4 E HN 0.430 nan 8.360 nan 0.000 0.458 5 Y N 1.318 121.680 120.300 0.103 0.000 2.145 5 Y HA -0.231 4.321 4.550 0.003 0.000 0.286 5 Y C 2.492 178.507 175.900 0.192 0.000 1.145 5 Y CA 1.530 59.721 58.100 0.152 0.000 1.148 5 Y CB 0.104 38.655 38.460 0.152 0.000 0.981 5 Y HN -0.166 nan 8.280 nan 0.000 0.507 6 R N 0.774 121.351 120.500 0.129 0.000 2.105 6 R HA -0.135 4.206 4.340 0.001 0.000 0.239 6 R C 2.137 178.412 176.300 -0.042 0.000 1.135 6 R CA 1.765 57.873 56.100 0.014 0.000 0.967 6 R CB -0.130 30.200 30.300 0.050 0.000 0.861 6 R HN 0.321 nan 8.270 nan 0.000 0.442 7 K N -1.751 118.654 120.400 0.008 0.000 2.097 7 K HA -0.180 4.140 4.320 0.001 0.000 0.205 7 K C 1.987 178.583 176.600 -0.007 0.000 1.050 7 K CA 1.576 57.867 56.287 0.005 0.000 0.938 7 K CB -0.265 32.256 32.500 0.035 0.000 0.718 7 K HN 0.315 nan 8.250 nan 0.000 0.442 8 H N 0.945 119.956 119.070 -0.098 0.000 2.353 8 H HA -0.085 4.472 4.556 0.002 0.000 0.300 8 H C 1.753 176.986 175.328 -0.159 0.000 1.090 8 H CA 1.627 57.608 56.048 -0.111 0.000 1.327 8 H CB -0.180 29.522 29.762 -0.100 0.000 1.383 8 H HN -0.118 nan 8.280 nan 0.000 0.508 9 V N 0.914 120.613 119.914 -0.357 0.000 2.287 9 V HA -0.307 3.814 4.120 0.001 0.000 0.248 9 V C 2.778 178.744 176.094 -0.214 0.000 1.053 9 V CA 1.871 63.968 62.300 -0.337 0.000 1.027 9 V CB -1.396 30.270 31.823 -0.262 0.000 0.646 9 V HN 0.725 nan 8.190 nan 0.000 0.447 10 A N -0.626 122.107 122.820 -0.146 0.000 1.877 10 A HA -0.284 4.036 4.320 0.001 0.000 0.216 10 A C 2.232 179.760 177.584 -0.095 0.000 1.186 10 A CA 2.041 54.023 52.037 -0.091 0.000 0.620 10 A CB -0.614 18.350 19.000 -0.059 0.000 0.822 10 A HN 0.595 nan 8.150 nan 0.000 0.443 11 E N -0.614 119.520 120.200 -0.111 0.000 2.086 11 E HA -0.236 4.115 4.350 0.001 0.000 0.200 11 E C 2.367 178.899 176.600 -0.113 0.000 1.012 11 E CA 1.490 57.835 56.400 -0.092 0.000 0.812 11 E CB -0.063 29.589 29.700 -0.080 0.000 0.743 11 E HN 0.485 nan 8.360 nan 0.000 0.453 12 R N -0.545 119.831 120.500 -0.207 0.000 2.090 12 R HA -0.022 4.319 4.340 0.001 0.000 0.228 12 R C 2.322 178.571 176.300 -0.086 0.000 1.110 12 R CA 0.882 56.879 56.100 -0.172 0.000 0.973 12 R CB -0.263 29.865 30.300 -0.286 0.000 0.869 12 R HN 0.154 nan 8.270 nan 0.000 0.440 13 A N 1.439 124.209 122.820 -0.083 0.000 1.972 13 A HA -0.097 4.224 4.320 0.001 0.000 0.219 13 A C 2.329 179.903 177.584 -0.017 0.000 1.169 13 A CA 1.603 53.619 52.037 -0.035 0.000 0.635 13 A CB -0.453 18.526 19.000 -0.034 0.000 0.810 13 A HN 0.363 nan 8.150 nan 0.000 0.446 14 A N -0.401 122.403 122.820 -0.026 0.000 2.076 14 A HA -0.140 4.181 4.320 0.001 0.000 0.220 14 A C 1.673 179.259 177.584 0.003 0.000 1.160 14 A CA 1.537 53.568 52.037 -0.010 0.000 0.653 14 A CB -0.295 18.697 19.000 -0.013 0.000 0.801 14 A HN 0.637 nan 8.150 nan 0.000 0.455 15 E N -1.960 118.243 120.200 0.004 0.000 2.538 15 E HA 0.298 4.648 4.350 0.001 0.000 0.207 15 E C 0.874 177.498 176.600 0.040 0.000 1.002 15 E CA 0.269 56.682 56.400 0.022 0.000 0.952 15 E CB 0.291 30.003 29.700 0.021 0.000 1.031 15 E HN 0.704 nan 8.360 nan 0.000 0.476 16 G N 2.693 111.515 108.800 0.038 0.000 2.143 16 G HA2 -0.272 3.689 3.960 0.001 0.000 0.248 16 G HA3 -0.272 3.689 3.960 0.001 0.000 0.248 16 G C 0.292 175.248 174.900 0.092 0.000 0.991 16 G CA 0.681 45.819 45.100 0.064 0.000 0.689 16 G HN 0.409 nan 8.290 nan 0.000 0.522 17 I N -2.547 118.060 120.570 0.062 0.000 2.693 17 I HA 0.891 5.062 4.170 0.001 0.000 0.303 17 I C 0.550 176.700 176.117 0.056 0.000 1.025 17 I CA -1.084 60.265 61.300 0.082 0.000 1.086 17 I CB 1.961 39.979 38.000 0.031 0.000 1.268 17 I HN 0.444 nan 8.210 nan 0.000 0.440 18 A N 5.239 128.128 122.820 0.114 0.000 2.507 18 A HA 0.434 4.754 4.320 0.001 0.000 0.235 18 A C -2.240 175.365 177.584 0.036 0.000 1.070 18 A CA -0.834 51.266 52.037 0.106 0.000 0.768 18 A CB -0.825 18.292 19.000 0.195 0.000 1.011 18 A HN 0.693 nan 8.150 nan 0.000 0.502 19 P HA 0.137 nan 4.420 nan 0.000 0.272 19 P C -0.644 176.806 177.300 0.251 0.000 1.230 19 P CA -0.180 62.975 63.100 0.092 0.000 0.788 19 P CB 0.523 32.300 31.700 0.129 0.000 0.949 20 K N 2.030 122.717 120.400 0.479 0.000 2.295 20 K HA 0.239 4.560 4.320 0.001 0.000 0.270 20 K C -1.966 174.744 176.600 0.184 0.000 1.011 20 K CA -1.305 55.122 56.287 0.233 0.000 0.953 20 K CB -0.631 31.959 32.500 0.150 0.000 0.956 20 K HN 0.388 nan 8.250 nan 0.000 0.477 21 P HA -0.015 nan 4.420 nan 0.000 0.270 21 P C -0.398 176.931 177.300 0.049 0.000 1.223 21 P CA -0.077 63.068 63.100 0.076 0.000 0.785 21 P CB 0.407 32.134 31.700 0.044 0.000 0.923 22 L N 1.579 122.808 121.223 0.010 0.000 2.456 22 L HA 0.096 4.436 4.340 0.001 0.000 0.272 22 L C 1.037 177.899 176.870 -0.014 0.000 1.189 22 L CA 0.073 54.894 54.840 -0.031 0.000 0.846 22 L CB -0.129 41.875 42.059 -0.093 0.000 1.111 22 L HN 0.342 nan 8.230 nan 0.000 0.475 23 D N 0.894 121.282 120.400 -0.020 0.000 2.398 23 D HA 0.180 4.821 4.640 0.001 0.000 0.247 23 D C 0.745 177.041 176.300 -0.006 0.000 1.227 23 D CA 0.222 54.217 54.000 -0.008 0.000 0.980 23 D CB 1.356 42.147 40.800 -0.015 0.000 1.106 23 D HN 0.599 nan 8.370 nan 0.000 0.493 24 A N 1.353 124.178 122.820 0.009 0.000 1.898 24 A HA -0.205 4.116 4.320 0.001 0.000 0.216 24 A C 1.778 179.358 177.584 -0.006 0.000 1.181 24 A CA 1.691 53.737 52.037 0.015 0.000 0.620 24 A CB -0.741 18.278 19.000 0.032 0.000 0.819 24 A HN 0.673 nan 8.150 nan 0.000 0.442 25 N N -0.322 118.372 118.700 -0.010 0.000 2.084 25 N HA -0.202 4.539 4.740 0.001 0.000 0.190 25 N C 2.003 177.493 175.510 -0.033 0.000 1.030 25 N CA 1.710 54.749 53.050 -0.018 0.000 0.849 25 N CB -0.246 38.233 38.487 -0.012 0.000 1.012 25 N HN 0.637 nan 8.380 nan 0.000 0.423 26 Q N -0.086 119.691 119.800 -0.038 0.000 2.084 26 Q HA -0.131 4.210 4.340 0.001 0.000 0.202 26 Q C 1.995 177.942 176.000 -0.088 0.000 0.978 26 Q CA 1.177 56.944 55.803 -0.059 0.000 0.844 26 Q CB -0.113 28.585 28.738 -0.066 0.000 0.898 26 Q HN 0.354 nan 8.270 nan 0.000 0.426 27 M N 0.840 120.393 119.600 -0.078 0.000 2.117 27 M HA -0.127 4.354 4.480 0.001 0.000 0.262 27 M C 1.985 178.213 176.300 -0.120 0.000 1.065 27 M CA 1.809 57.052 55.300 -0.094 0.000 1.114 27 M CB -0.467 32.101 32.600 -0.054 0.000 1.361 27 M HN 0.182 nan 8.290 nan 0.000 0.408 28 A N -0.217 122.549 122.820 -0.090 0.000 1.865 28 A HA -0.021 4.299 4.320 0.001 0.000 0.217 28 A C 2.397 179.904 177.584 -0.128 0.000 1.191 28 A CA 2.337 54.312 52.037 -0.103 0.000 0.623 28 A CB -1.565 17.399 19.000 -0.060 0.000 0.826 28 A HN 0.649 nan 8.150 nan 0.000 0.444 29 A N -0.693 122.068 122.820 -0.098 0.000 1.940 29 A HA -0.074 4.247 4.320 0.001 0.000 0.219 29 A C 2.123 179.634 177.584 -0.122 0.000 1.176 29 A CA 1.803 53.787 52.037 -0.090 0.000 0.631 29 A CB -0.633 18.333 19.000 -0.057 0.000 0.814 29 A HN 0.716 nan 8.150 nan 0.000 0.446 30 L N 0.003 121.137 121.223 -0.148 0.000 2.079 30 L HA -0.126 4.215 4.340 0.001 0.000 0.210 30 L C 2.381 179.096 176.870 -0.259 0.000 1.081 30 L CA 1.831 56.565 54.840 -0.176 0.000 0.752 30 L CB -0.584 41.365 42.059 -0.185 0.000 0.896 30 L HN 0.166 nan 8.230 nan 0.000 0.433 31 V N -0.185 119.504 119.914 -0.375 0.000 2.255 31 V HA -0.291 3.829 4.120 0.001 0.000 0.247 31 V C 2.677 178.512 176.094 -0.432 0.000 1.051 31 V CA 1.967 63.860 62.300 -0.679 0.000 1.018 31 V CB -0.710 30.693 31.823 -0.700 0.000 0.641 31 V HN 0.459 nan 8.190 nan 0.000 0.445 32 E N 0.015 120.069 120.200 -0.244 0.000 2.085 32 E HA -0.196 4.154 4.350 0.001 0.000 0.194 32 E C 2.204 178.746 176.600 -0.096 0.000 0.994 32 E CA 1.258 57.578 56.400 -0.134 0.000 0.801 32 E CB -0.464 29.183 29.700 -0.088 0.000 0.743 32 E HN 0.532 nan 8.360 nan 0.000 0.453 33 L N 0.224 121.388 121.223 -0.098 0.000 2.083 33 L HA -0.169 4.172 4.340 0.001 0.000 0.209 33 L C 2.531 179.376 176.870 -0.041 0.000 1.083 33 L CA 0.770 55.578 54.840 -0.053 0.000 0.752 33 L CB -0.377 41.657 42.059 -0.042 0.000 0.899 33 L HN 0.104 nan 8.230 nan 0.000 0.433 34 L N -0.688 120.487 121.223 -0.080 0.000 2.201 34 L HA -0.173 4.167 4.340 0.001 0.000 0.212 34 L C 2.508 179.414 176.870 0.059 0.000 1.105 34 L CA 1.077 55.916 54.840 -0.003 0.000 0.775 34 L CB -0.347 41.717 42.059 0.009 0.000 0.913 34 L HN 0.185 nan 8.230 nan 0.000 0.440 35 K N -0.409 120.005 120.400 0.023 0.000 2.062 35 K HA -0.044 4.277 4.320 0.001 0.000 0.205 35 K C 0.916 177.538 176.600 0.037 0.000 1.051 35 K CA 0.767 57.091 56.287 0.062 0.000 0.941 35 K CB 0.074 32.598 32.500 0.041 0.000 0.719 35 K HN 0.170 nan 8.250 nan 0.000 0.440 36 N N 1.116 119.824 118.700 0.015 0.000 2.762 36 N HA 0.198 4.939 4.740 0.001 0.000 0.252 36 N C -2.948 172.571 175.510 0.014 0.000 1.269 36 N CA -1.422 51.636 53.050 0.015 0.000 0.799 36 N CB 1.433 39.925 38.487 0.008 0.000 1.173 36 N HN -0.132 nan 8.380 nan 0.000 0.516 37 P HA 0.341 nan 4.420 nan 0.000 0.281 37 P C -2.530 174.787 177.300 0.028 0.000 1.252 37 P CA -0.990 62.126 63.100 0.027 0.000 0.778 37 P CB 0.396 32.118 31.700 0.036 0.000 0.895 38 P HA 0.158 nan 4.420 nan 0.000 0.269 38 P C -0.334 176.985 177.300 0.031 0.000 1.209 38 P CA -0.165 62.952 63.100 0.029 0.000 0.776 38 P CB 0.348 32.068 31.700 0.033 0.000 0.876 39 A N 2.048 124.883 122.820 0.024 0.000 2.511 39 A HA 0.438 4.759 4.320 0.001 0.000 0.242 39 A C 1.548 179.146 177.584 0.024 0.000 1.069 39 A CA 0.630 52.681 52.037 0.023 0.000 0.763 39 A CB -1.171 17.839 19.000 0.016 0.000 1.001 39 A HN 0.898 nan 8.150 nan 0.000 0.498 40 G N 1.122 109.939 108.800 0.027 0.000 2.234 40 G HA2 -0.232 3.729 3.960 0.001 0.000 0.260 40 G HA3 -0.232 3.729 3.960 0.001 0.000 0.260 40 G C 0.496 175.421 174.900 0.043 0.000 0.987 40 G CA 0.585 45.701 45.100 0.027 0.000 0.625 40 G HN 0.764 nan 8.290 nan 0.000 0.532 41 E N 0.874 121.111 120.200 0.062 0.000 2.479 41 E HA 0.061 4.412 4.350 0.001 0.000 0.193 41 E C 1.979 178.665 176.600 0.144 0.000 1.049 41 E CA 0.529 56.997 56.400 0.114 0.000 0.870 41 E CB 0.008 29.781 29.700 0.122 0.000 0.944 41 E HN 0.808 nan 8.360 nan 0.000 0.492 42 E N 1.439 121.696 120.200 0.096 0.000 2.049 42 E HA -0.243 4.108 4.350 0.001 0.000 0.198 42 E C 1.508 178.164 176.600 0.094 0.000 1.007 42 E CA 1.216 57.664 56.400 0.081 0.000 0.809 42 E CB -0.289 29.445 29.700 0.058 0.000 0.749 42 E HN 0.393 nan 8.360 nan 0.000 0.450 43 E N 0.033 120.298 120.200 0.109 0.000 2.152 43 E HA -0.114 4.236 4.350 0.001 0.000 0.192 43 E C 1.856 178.549 176.600 0.155 0.000 0.983 43 E CA 0.544 57.010 56.400 0.111 0.000 0.818 43 E CB -0.215 29.547 29.700 0.104 0.000 0.758 43 E HN 0.142 nan 8.360 nan 0.000 0.467 44 F N 1.541 121.512 119.950 0.034 0.000 2.113 44 F HA -0.116 4.412 4.527 0.001 0.000 0.297 44 F C 1.838 177.654 175.800 0.026 0.000 1.103 44 F CA 1.192 59.217 58.000 0.042 0.000 1.248 44 F CB -0.143 38.888 39.000 0.051 0.000 0.999 44 F HN -0.095 nan 8.300 nan 0.000 0.475 45 L N -0.786 120.462 121.223 0.041 0.000 2.017 45 L HA -0.241 4.100 4.340 0.001 0.000 0.208 45 L C 2.422 179.240 176.870 -0.087 0.000 1.073 45 L CA 0.747 55.545 54.840 -0.070 0.000 0.745 45 L CB -0.953 41.114 42.059 0.014 0.000 0.894 45 L HN 0.165 nan 8.230 nan 0.000 0.432 46 L N 0.156 121.367 121.223 -0.021 0.000 2.079 46 L HA -0.257 4.083 4.340 0.001 0.000 0.210 46 L C 2.175 179.022 176.870 -0.038 0.000 1.081 46 L CA 1.821 56.655 54.840 -0.011 0.000 0.752 46 L CB -0.865 41.205 42.059 0.019 0.000 0.896 46 L HN 0.265 nan 8.230 nan 0.000 0.433 47 D N -0.993 119.370 120.400 -0.063 0.000 2.117 47 D HA -0.180 4.460 4.640 0.001 0.000 0.197 47 D C 2.324 178.543 176.300 -0.135 0.000 0.987 47 D CA 1.055 55.011 54.000 -0.073 0.000 0.829 47 D CB 0.005 40.766 40.800 -0.065 0.000 0.961 47 D HN 0.256 nan 8.370 nan 0.000 0.460 48 L N -0.158 120.902 121.223 -0.272 0.000 2.012 48 L HA -0.159 4.181 4.340 0.001 0.000 0.210 48 L C 2.473 179.249 176.870 -0.158 0.000 1.073 48 L CA 0.764 55.428 54.840 -0.294 0.000 0.748 48 L CB -0.553 41.241 42.059 -0.441 0.000 0.891 48 L HN 0.213 nan 8.230 nan 0.000 0.431 49 L N -0.879 120.275 121.223 -0.115 0.000 2.056 49 L HA -0.142 4.198 4.340 0.001 0.000 0.207 49 L C 2.357 179.214 176.870 -0.021 0.000 1.078 49 L CA 2.020 56.829 54.840 -0.051 0.000 0.749 49 L CB -0.602 41.450 42.059 -0.012 0.000 0.901 49 L HN 0.093 nan 8.230 nan 0.000 0.433 50 T N -0.113 114.432 114.554 -0.015 0.000 2.896 50 T HA 0.006 4.356 4.350 0.001 0.000 0.263 50 T C 1.407 176.154 174.700 0.079 0.000 1.050 50 T CA 1.457 63.562 62.100 0.008 0.000 1.140 50 T CB -0.117 68.766 68.868 0.026 0.000 0.877 50 T HN 0.385 nan 8.240 nan 0.000 0.457 51 N N 0.052 118.793 118.700 0.069 0.000 2.181 51 N HA 0.150 4.891 4.740 0.001 0.000 0.207 51 N C 1.000 176.548 175.510 0.063 0.000 1.182 51 N CA 0.036 53.147 53.050 0.101 0.000 0.893 51 N CB 0.668 39.208 38.487 0.088 0.000 1.032 51 N HN 0.139 nan 8.380 nan 0.000 0.513 52 R N 0.742 121.252 120.500 0.018 0.000 2.509 52 R HA 0.308 4.648 4.340 0.001 0.000 0.300 52 R C -0.337 175.970 176.300 0.011 0.000 0.985 52 R CA -0.002 56.107 56.100 0.015 0.000 1.092 52 R CB 1.068 31.348 30.300 -0.033 0.000 1.237 52 R HN -0.100 nan 8.270 nan 0.000 0.546 53 V N 2.655 122.582 119.914 0.021 0.000 2.459 53 V HA 0.338 4.459 4.120 0.001 0.000 0.295 53 V C -2.250 173.877 176.094 0.055 0.000 1.029 53 V CA -2.389 59.928 62.300 0.028 0.000 0.874 53 V CB 2.078 33.913 31.823 0.021 0.000 0.985 53 V HN -0.040 nan 8.190 nan 0.000 0.438 54 P HA 0.210 nan 4.420 nan 0.000 0.269 54 P C -2.457 174.896 177.300 0.088 0.000 1.215 54 P CA -0.637 62.505 63.100 0.070 0.000 0.780 54 P CB 0.128 31.868 31.700 0.065 0.000 0.898 55 P HA 0.289 nan 4.420 nan 0.000 0.321 55 P C 0.362 177.726 177.300 0.106 0.000 1.304 55 P CA 0.037 63.195 63.100 0.097 0.000 0.759 55 P CB 0.459 32.211 31.700 0.087 0.000 1.385 56 G N -0.622 108.233 108.800 0.093 0.000 2.550 56 G HA2 -0.233 3.728 3.960 0.001 0.000 0.277 56 G HA3 -0.233 3.728 3.960 0.001 0.000 0.277 56 G C 0.365 175.301 174.900 0.060 0.000 1.190 56 G CA 0.508 45.645 45.100 0.063 0.000 0.971 56 G HN 0.842 nan 8.290 nan 0.000 0.559 57 V N -0.930 119.004 119.914 0.033 0.000 2.993 57 V HA 0.561 4.681 4.120 0.001 0.000 0.377 57 V C 0.365 176.626 176.094 0.279 0.000 1.318 57 V CA 0.708 63.046 62.300 0.063 0.000 1.312 57 V CB 0.004 31.716 31.823 -0.185 0.000 1.342 57 V HN 0.790 nan 8.190 nan 0.000 0.544 58 D N 0.621 121.168 120.400 0.245 0.000 2.362 58 D HA 0.134 4.774 4.640 0.001 0.000 0.242 58 D C 1.209 177.661 176.300 0.253 0.000 1.132 58 D CA 0.024 54.149 54.000 0.207 0.000 0.907 58 D CB 1.416 42.301 40.800 0.141 0.000 1.195 58 D HN 0.356 nan 8.370 nan 0.000 0.429 59 E N 1.691 121.997 120.200 0.177 0.000 2.110 59 E HA -0.130 4.220 4.350 0.001 0.000 0.193 59 E C 1.827 178.520 176.600 0.155 0.000 0.988 59 E CA 1.412 57.900 56.400 0.146 0.000 0.804 59 E CB -0.216 29.530 29.700 0.078 0.000 0.745 59 E HN 0.518 nan 8.360 nan 0.000 0.458 60 A N 0.957 123.848 122.820 0.118 0.000 1.930 60 A HA -0.012 4.308 4.320 0.001 0.000 0.217 60 A C 2.351 179.999 177.584 0.107 0.000 1.175 60 A CA 1.544 53.632 52.037 0.085 0.000 0.627 60 A CB -0.704 18.326 19.000 0.049 0.000 0.815 60 A HN 0.284 nan 8.150 nan 0.000 0.443 61 A N -1.434 121.483 122.820 0.162 0.000 1.972 61 A HA -0.108 4.213 4.320 0.001 0.000 0.219 61 A C 2.083 179.793 177.584 0.211 0.000 1.169 61 A CA 1.605 53.758 52.037 0.195 0.000 0.635 61 A CB -0.760 18.392 19.000 0.254 0.000 0.810 61 A HN 0.729 nan 8.150 nan 0.000 0.446 62 Y N 0.655 120.985 120.300 0.050 0.000 2.145 62 Y HA -0.191 4.357 4.550 -0.004 0.000 0.286 62 Y C 2.298 178.104 175.900 -0.156 0.000 1.145 62 Y CA 2.052 59.977 58.100 -0.290 0.000 1.148 62 Y CB -0.324 37.826 38.460 -0.516 0.000 0.981 62 Y HN 0.069 nan 8.280 nan 0.000 0.507 63 V N 1.050 120.937 119.914 -0.046 0.000 2.358 63 V HA -0.293 3.828 4.120 0.001 0.000 0.246 63 V C 2.432 178.490 176.094 -0.059 0.000 1.047 63 V CA 2.286 64.531 62.300 -0.091 0.000 1.035 63 V CB -0.744 31.076 31.823 -0.006 0.000 0.658 63 V HN 0.370 nan 8.190 nan 0.000 0.452 64 K N 0.527 120.928 120.400 0.002 0.000 2.026 64 K HA -0.180 4.141 4.320 0.001 0.000 0.208 64 K C 2.212 178.848 176.600 0.059 0.000 1.048 64 K CA 1.649 57.973 56.287 0.062 0.000 0.929 64 K CB -0.366 32.172 32.500 0.062 0.000 0.713 64 K HN 0.396 nan 8.250 nan 0.000 0.439 65 A N 0.830 123.653 122.820 0.005 0.000 1.902 65 A HA -0.079 4.242 4.320 0.001 0.000 0.217 65 A C 2.404 179.943 177.584 -0.075 0.000 1.181 65 A CA 1.929 53.962 52.037 -0.007 0.000 0.623 65 A CB -1.322 17.714 19.000 0.060 0.000 0.818 65 A HN 0.577 nan 8.150 nan 0.000 0.443 66 G N -1.404 107.281 108.800 -0.191 0.000 2.422 66 G HA2 -0.214 3.747 3.960 0.001 0.000 0.218 66 G HA3 -0.214 3.747 3.960 0.001 0.000 0.218 66 G C 1.429 176.302 174.900 -0.046 0.000 1.146 66 G CA 1.210 46.194 45.100 -0.193 0.000 0.769 66 G HN 0.509 nan 8.290 nan 0.000 0.547 67 F N 1.161 121.029 119.950 -0.137 0.000 2.128 67 F HA 0.162 4.684 4.527 -0.009 0.000 0.295 67 F C 2.371 178.129 175.800 -0.069 0.000 1.100 67 F CA 0.821 58.766 58.000 -0.091 0.000 1.260 67 F CB -0.319 38.634 39.000 -0.080 0.000 1.009 67 F HN 0.035 nan 8.300 nan 0.000 0.476 68 L N 0.008 121.092 121.223 -0.232 0.000 2.083 68 L HA -0.164 4.177 4.340 0.001 0.000 0.209 68 L C 2.779 179.506 176.870 -0.238 0.000 1.083 68 L CA 1.077 55.730 54.840 -0.311 0.000 0.752 68 L CB -1.212 40.770 42.059 -0.128 0.000 0.899 68 L HN 0.264 nan 8.230 nan 0.000 0.433 69 A N 0.192 122.922 122.820 -0.149 0.000 1.877 69 A HA -0.170 4.150 4.320 0.001 0.000 0.216 69 A C 2.549 180.056 177.584 -0.128 0.000 1.186 69 A CA 1.722 53.695 52.037 -0.107 0.000 0.620 69 A CB -0.710 18.251 19.000 -0.065 0.000 0.822 69 A HN 0.387 nan 8.150 nan 0.000 0.443 70 A N -0.251 122.480 122.820 -0.147 0.000 1.933 70 A HA -0.077 4.244 4.320 0.001 0.000 0.218 70 A C 2.100 179.578 177.584 -0.177 0.000 1.175 70 A CA 1.511 53.471 52.037 -0.128 0.000 0.628 70 A CB -0.578 18.376 19.000 -0.077 0.000 0.814 70 A HN 0.508 nan 8.150 nan 0.000 0.444 71 I N -0.529 119.856 120.570 -0.308 0.000 2.394 71 I HA -0.230 3.940 4.170 0.001 0.000 0.251 71 I C 2.852 178.858 176.117 -0.184 0.000 1.136 71 I CA 0.894 62.017 61.300 -0.296 0.000 1.425 71 I CB -0.235 37.482 38.000 -0.471 0.000 1.079 71 I HN 0.376 nan 8.210 nan 0.000 0.425 72 A N 0.631 123.352 122.820 -0.165 0.000 1.969 72 A HA -0.145 4.176 4.320 0.001 0.000 0.218 72 A C 2.119 179.650 177.584 -0.088 0.000 1.169 72 A CA 1.266 53.234 52.037 -0.115 0.000 0.635 72 A CB -0.233 18.706 19.000 -0.101 0.000 0.810 72 A HN 0.328 nan 8.150 nan 0.000 0.445 73 K N -1.439 118.911 120.400 -0.083 0.000 2.374 73 K HA 0.266 4.587 4.320 0.001 0.000 0.196 73 K C 0.890 177.457 176.600 -0.055 0.000 1.023 73 K CA 0.418 56.668 56.287 -0.061 0.000 1.103 73 K CB 0.185 32.655 32.500 -0.050 0.000 0.848 73 K HN 0.583 nan 8.250 nan 0.000 0.528 74 G N 2.937 111.697 108.800 -0.066 0.000 2.143 74 G HA2 -0.306 3.655 3.960 0.001 0.000 0.248 74 G HA3 -0.306 3.655 3.960 0.001 0.000 0.248 74 G C 0.392 175.267 174.900 -0.041 0.000 0.991 74 G CA 0.717 45.785 45.100 -0.053 0.000 0.689 74 G HN 0.618 nan 8.290 nan 0.000 0.522 75 E N -0.691 119.483 120.200 -0.044 0.000 2.463 75 E HA 0.604 4.955 4.350 0.001 0.000 0.193 75 E C 0.714 177.303 176.600 -0.017 0.000 1.041 75 E CA 0.433 56.817 56.400 -0.027 0.000 0.879 75 E CB 0.591 30.277 29.700 -0.024 0.000 0.997 75 E HN 1.329 nan 8.360 nan 0.000 0.478 76 A N 1.107 123.908 122.820 -0.031 0.000 2.574 76 A HA 0.592 4.913 4.320 0.001 0.000 0.297 76 A C -1.437 176.132 177.584 -0.025 0.000 1.062 76 A CA -0.848 51.187 52.037 -0.003 0.000 0.686 76 A CB 1.929 20.936 19.000 0.012 0.000 1.285 76 A HN 0.075 nan 8.150 nan 0.000 0.403 77 K N 0.309 120.722 120.400 0.021 0.000 2.435 77 K HA 0.775 5.096 4.320 0.001 0.000 0.251 77 K C -1.162 175.471 176.600 0.054 0.000 0.954 77 K CA -0.347 55.946 56.287 0.009 0.000 0.820 77 K CB 2.013 34.518 32.500 0.008 0.000 1.292 77 K HN 0.866 nan 8.250 nan 0.000 0.436 78 S N 2.695 118.417 115.700 0.037 0.000 2.566 78 S HA 0.402 4.873 4.470 0.001 0.000 0.273 78 S C -2.426 172.197 174.600 0.038 0.000 1.157 78 S CA -1.281 56.962 58.200 0.072 0.000 0.938 78 S CB 1.468 64.750 63.200 0.137 0.000 1.087 78 S HN 0.496 nan 8.310 nan 0.000 0.474 79 P HA 0.123 nan 4.420 nan 0.000 0.226 79 P C 0.744 178.059 177.300 0.026 0.000 1.153 79 P CA 0.693 63.808 63.100 0.026 0.000 0.777 79 P CB 0.103 31.819 31.700 0.027 0.000 0.794 80 L N -2.444 118.801 121.223 0.037 0.000 2.616 80 L HA 0.219 4.560 4.340 0.001 0.000 0.229 80 L C 0.592 177.475 176.870 0.023 0.000 1.110 80 L CA 0.119 54.980 54.840 0.034 0.000 0.884 80 L CB 0.128 42.216 42.059 0.048 0.000 1.115 80 L HN -0.097 nan 8.230 nan 0.000 0.481 81 L N 0.115 121.345 121.223 0.011 0.000 2.439 81 L HA 0.375 4.715 4.340 0.001 0.000 0.270 81 L C -0.105 176.739 176.870 -0.042 0.000 0.972 81 L CA -0.478 54.350 54.840 -0.019 0.000 0.836 81 L CB 2.221 44.258 42.059 -0.037 0.000 1.255 81 L HN -0.007 nan 8.230 nan 0.000 0.404 82 T N -1.016 113.512 114.554 -0.043 0.000 2.918 82 T HA 0.346 4.697 4.350 0.001 0.000 0.283 82 T C -2.060 172.598 174.700 -0.070 0.000 1.001 82 T CA -1.910 60.161 62.100 -0.049 0.000 1.041 82 T CB 1.550 70.397 68.868 -0.036 0.000 1.028 82 T HN 0.255 nan 8.240 nan 0.000 0.511 83 P HA -0.115 nan 4.420 nan 0.000 0.216 83 P C 1.180 178.433 177.300 -0.077 0.000 1.150 83 P CA 1.085 64.133 63.100 -0.085 0.000 0.843 83 P CB 0.061 31.717 31.700 -0.073 0.000 0.787 84 E N -0.417 119.745 120.200 -0.062 0.000 2.051 84 E HA -0.202 4.149 4.350 0.001 0.000 0.192 84 E C 1.961 178.528 176.600 -0.054 0.000 0.991 84 E CA 1.249 57.616 56.400 -0.055 0.000 0.799 84 E CB -0.617 29.057 29.700 -0.043 0.000 0.748 84 E HN 0.089 nan 8.360 nan 0.000 0.449 85 K N 0.687 121.055 120.400 -0.053 0.000 2.097 85 K HA 0.012 4.333 4.320 0.001 0.000 0.205 85 K C 1.861 178.421 176.600 -0.066 0.000 1.050 85 K CA 1.290 57.547 56.287 -0.051 0.000 0.938 85 K CB -0.495 31.980 32.500 -0.042 0.000 0.718 85 K HN 0.127 nan 8.250 nan 0.000 0.442 86 A N 0.864 123.632 122.820 -0.086 0.000 1.902 86 A HA -0.132 4.189 4.320 0.001 0.000 0.217 86 A C 2.029 179.561 177.584 -0.086 0.000 1.181 86 A CA 1.544 53.516 52.037 -0.109 0.000 0.623 86 A CB -0.574 18.329 19.000 -0.160 0.000 0.818 86 A HN 0.281 nan 8.150 nan 0.000 0.443 87 I N -0.214 120.311 120.570 -0.075 0.000 2.252 87 I HA -0.190 3.981 4.170 0.001 0.000 0.245 87 I C 2.419 178.507 176.117 -0.048 0.000 1.102 87 I CA 1.605 62.870 61.300 -0.058 0.000 1.385 87 I CB -1.354 36.611 38.000 -0.058 0.000 1.064 87 I HN 0.535 nan 8.210 nan 0.000 0.414 88 E N 0.652 120.822 120.200 -0.051 0.000 2.051 88 E HA -0.241 4.110 4.350 0.001 0.000 0.192 88 E C 2.254 178.811 176.600 -0.072 0.000 0.991 88 E CA 1.157 57.527 56.400 -0.050 0.000 0.799 88 E CB 0.110 29.781 29.700 -0.048 0.000 0.748 88 E HN 0.174 nan 8.360 nan 0.000 0.449 89 L N 0.730 121.903 121.223 -0.084 0.000 2.083 89 L HA -0.158 4.182 4.340 0.001 0.000 0.209 89 L C 2.352 179.175 176.870 -0.079 0.000 1.083 89 L CA 1.280 56.056 54.840 -0.108 0.000 0.752 89 L CB -0.752 41.257 42.059 -0.083 0.000 0.899 89 L HN 0.230 nan 8.230 nan 0.000 0.433 90 L N -0.931 120.262 121.223 -0.049 0.000 2.127 90 L HA -0.164 4.177 4.340 0.001 0.000 0.211 90 L C 2.282 179.149 176.870 -0.006 0.000 1.089 90 L CA 1.267 56.096 54.840 -0.019 0.000 0.757 90 L CB -0.911 41.139 42.059 -0.015 0.000 0.899 90 L HN 0.410 nan 8.230 nan 0.000 0.434 91 G N -1.381 107.410 108.800 -0.015 0.000 2.625 91 G HA2 -0.188 3.773 3.960 0.001 0.000 0.214 91 G HA3 -0.188 3.773 3.960 0.001 0.000 0.214 91 G C 1.411 176.318 174.900 0.012 0.000 1.132 91 G CA 1.068 46.174 45.100 0.011 0.000 0.782 91 G HN 0.472 nan 8.290 nan 0.000 0.538 92 T N -2.754 111.778 114.554 -0.036 0.000 3.069 92 T HA 0.268 4.618 4.350 0.001 0.000 0.252 92 T C 1.906 176.626 174.700 0.033 0.000 1.053 92 T CA -0.242 61.842 62.100 -0.027 0.000 0.964 92 T CB -0.012 68.688 68.868 -0.280 0.000 1.005 92 T HN 0.177 nan 8.240 nan 0.000 0.532 93 M N 0.743 120.363 119.600 0.032 0.000 2.633 93 M HA 0.212 4.692 4.480 0.001 0.000 0.226 93 M C 1.419 177.759 176.300 0.067 0.000 1.137 93 M CA 0.237 55.571 55.300 0.058 0.000 1.020 93 M CB -0.231 32.408 32.600 0.064 0.000 1.675 93 M HN 0.231 nan 8.290 nan 0.000 0.500 94 Q N -0.072 119.766 119.800 0.064 0.000 2.281 94 Q HA -0.174 4.167 4.340 0.001 0.000 0.148 94 Q C 0.217 176.235 176.000 0.030 0.000 1.069 94 Q CA 2.014 57.850 55.803 0.056 0.000 1.297 94 Q CB -1.129 27.650 28.738 0.067 0.000 1.268 94 Q HN 0.771 nan 8.270 nan 0.000 0.952 95 G N -3.919 104.902 108.800 0.035 0.000 2.361 95 G HA2 0.561 4.521 3.960 0.001 0.000 0.305 95 G HA3 0.561 4.521 3.960 0.001 0.000 0.305 95 G C 0.517 175.424 174.900 0.012 0.000 1.367 95 G CA 0.546 45.657 45.100 0.019 0.000 0.951 95 G HN 1.375 nan 8.290 nan 0.000 0.615 96 G N -0.651 108.141 108.800 -0.012 0.000 3.138 96 G HA2 -0.119 3.841 3.960 0.001 0.000 0.247 96 G HA3 -0.119 3.841 3.960 0.001 0.000 0.247 96 G C 0.964 175.797 174.900 -0.111 0.000 1.642 96 G CA 1.015 46.032 45.100 -0.137 0.000 1.087 96 G HN 1.560 nan 8.290 nan 0.000 0.558 97 Y N 3.510 123.890 120.300 0.134 0.000 2.561 97 Y HA 0.079 4.635 4.550 0.009 0.000 0.291 97 Y C 2.673 178.630 175.900 0.095 0.000 1.141 97 Y CA 1.355 59.538 58.100 0.139 0.000 1.303 97 Y CB -0.135 38.413 38.460 0.147 0.000 1.015 97 Y HN 0.564 nan 8.280 nan 0.000 0.547 98 N N 0.231 119.042 118.700 0.184 0.000 2.463 98 N HA -0.076 4.664 4.740 0.001 0.000 0.181 98 N C 1.376 176.936 175.510 0.083 0.000 1.078 98 N CA 0.776 53.895 53.050 0.114 0.000 0.902 98 N CB -0.452 38.083 38.487 0.079 0.000 0.970 98 N HN 0.363 nan 8.380 nan 0.000 0.451 99 I N 0.694 121.309 120.570 0.074 0.000 2.193 99 I HA -0.190 3.980 4.170 0.001 0.000 0.240 99 I C 1.948 178.045 176.117 -0.032 0.000 1.084 99 I CA 1.116 62.415 61.300 -0.002 0.000 1.365 99 I CB -0.552 37.410 38.000 -0.064 0.000 1.064 99 I HN 0.098 nan 8.210 nan 0.000 0.410 100 H N 0.715 119.829 119.070 0.073 0.000 2.319 100 H HA -0.108 4.450 4.556 0.003 0.000 0.299 100 H C -0.660 174.691 175.328 0.038 0.000 1.092 100 H CA 1.959 58.044 56.048 0.060 0.000 1.302 100 H CB -1.524 28.280 29.762 0.069 0.000 1.373 100 H HN 0.255 nan 8.280 nan 0.000 0.497 101 P HA -0.158 nan 4.420 nan 0.000 0.216 101 P C 1.240 178.557 177.300 0.029 0.000 1.150 101 P CA 1.243 64.380 63.100 0.062 0.000 0.837 101 P CB 0.039 31.762 31.700 0.038 0.000 0.786 102 L N -1.616 119.623 121.223 0.026 0.000 2.093 102 L HA -0.123 4.218 4.340 0.001 0.000 0.208 102 L C 2.413 179.283 176.870 -0.000 0.000 1.085 102 L CA 1.230 56.074 54.840 0.006 0.000 0.755 102 L CB -0.658 41.411 42.059 0.016 0.000 0.904 102 L HN -0.072 nan 8.230 nan 0.000 0.435 103 I N -0.323 120.252 120.570 0.008 0.000 2.252 103 I HA -0.278 3.893 4.170 0.001 0.000 0.245 103 I C 2.083 178.207 176.117 0.013 0.000 1.102 103 I CA 1.080 62.384 61.300 0.005 0.000 1.385 103 I CB -0.381 37.618 38.000 -0.002 0.000 1.064 103 I HN 0.240 nan 8.210 nan 0.000 0.414 104 D N 1.312 121.731 120.400 0.032 0.000 2.133 104 D HA -0.185 4.456 4.640 0.001 0.000 0.195 104 D C 2.174 178.467 176.300 -0.012 0.000 0.997 104 D CA 1.617 55.630 54.000 0.021 0.000 0.840 104 D CB -0.200 40.619 40.800 0.031 0.000 0.947 104 D HN 0.353 nan 8.370 nan 0.000 0.452 105 A N 0.236 123.040 122.820 -0.027 0.000 2.178 105 A HA -0.104 4.217 4.320 0.001 0.000 0.218 105 A C 1.903 179.429 177.584 -0.096 0.000 1.157 105 A CA 0.499 52.500 52.037 -0.061 0.000 0.689 105 A CB -0.355 18.607 19.000 -0.064 0.000 0.787 105 A HN 0.123 nan 8.150 nan 0.000 0.465 106 L N -0.129 121.051 121.223 -0.073 0.000 2.275 106 L HA -0.055 4.286 4.340 0.001 0.000 0.215 106 L C 0.629 177.451 176.870 -0.080 0.000 1.119 106 L CA 1.478 56.266 54.840 -0.086 0.000 0.790 106 L CB -0.508 41.535 42.059 -0.027 0.000 0.919 106 L HN 0.312 nan 8.230 nan 0.000 0.443 107 D N -1.065 119.302 120.400 -0.054 0.000 2.325 107 D HA 0.027 4.668 4.640 0.001 0.000 0.225 107 D C 0.172 176.438 176.300 -0.056 0.000 1.096 107 D CA 0.219 54.199 54.000 -0.033 0.000 0.844 107 D CB 0.228 41.021 40.800 -0.011 0.000 0.925 107 D HN 0.197 nan 8.370 nan 0.000 0.513 108 D N 0.219 120.557 120.400 -0.105 0.000 2.440 108 D HA 0.320 4.961 4.640 0.001 0.000 0.239 108 D C 1.096 177.295 176.300 -0.168 0.000 1.084 108 D CA -0.649 53.287 54.000 -0.107 0.000 0.843 108 D CB 1.612 42.355 40.800 -0.095 0.000 1.097 108 D HN -0.086 nan 8.370 nan 0.000 0.531 109 A N 4.943 127.693 122.820 -0.118 0.000 1.927 109 A HA -0.244 4.076 4.320 0.001 0.000 0.220 109 A C 1.895 179.392 177.584 -0.145 0.000 1.185 109 A CA 1.557 53.523 52.037 -0.118 0.000 0.639 109 A CB -0.225 18.760 19.000 -0.026 0.000 0.820 109 A HN 0.651 nan 8.150 nan 0.000 0.451 110 K N -0.707 119.629 120.400 -0.107 0.000 2.062 110 K HA 0.074 4.395 4.320 0.001 0.000 0.205 110 K C 1.814 178.341 176.600 -0.121 0.000 1.051 110 K CA 1.300 57.533 56.287 -0.090 0.000 0.941 110 K CB -0.272 32.191 32.500 -0.063 0.000 0.719 110 K HN 0.490 nan 8.250 nan 0.000 0.440 111 L N 0.340 121.476 121.223 -0.145 0.000 2.209 111 L HA 0.040 4.381 4.340 0.001 0.000 0.207 111 L C 2.568 179.313 176.870 -0.209 0.000 1.094 111 L CA 0.402 55.156 54.840 -0.143 0.000 0.790 111 L CB -0.608 41.381 42.059 -0.115 0.000 0.932 111 L HN 0.121 nan 8.230 nan 0.000 0.447 112 A N 1.427 124.035 122.820 -0.353 0.000 1.909 112 A HA -0.216 4.105 4.320 0.001 0.000 0.221 112 A C -0.021 177.289 177.584 -0.458 0.000 1.223 112 A CA 2.370 54.059 52.037 -0.582 0.000 0.658 112 A CB -2.037 16.201 19.000 -1.269 0.000 0.831 112 A HN 0.278 nan 8.150 nan 0.000 0.462 113 P HA -0.138 nan 4.420 nan 0.000 0.216 113 P C 1.380 178.671 177.300 -0.015 0.000 1.150 113 P CA 1.189 64.279 63.100 -0.016 0.000 0.837 113 P CB -0.168 31.558 31.700 0.043 0.000 0.786 114 I N -0.798 119.736 120.570 -0.059 0.000 2.233 114 I HA -0.174 3.997 4.170 0.001 0.000 0.243 114 I C 2.351 178.451 176.117 -0.028 0.000 1.093 114 I CA 1.350 62.630 61.300 -0.034 0.000 1.380 114 I CB -0.921 37.051 38.000 -0.045 0.000 1.067 114 I HN -0.110 nan 8.210 nan 0.000 0.413 115 A N 0.904 123.690 122.820 -0.056 0.000 1.972 115 A HA -0.101 4.219 4.320 0.001 0.000 0.219 115 A C 2.516 180.091 177.584 -0.015 0.000 1.169 115 A CA 1.719 53.734 52.037 -0.037 0.000 0.635 115 A CB -0.644 18.320 19.000 -0.061 0.000 0.810 115 A HN 0.437 nan 8.150 nan 0.000 0.446 116 A N -0.248 122.565 122.820 -0.012 0.000 1.930 116 A HA -0.102 4.218 4.320 0.001 0.000 0.217 116 A C 2.101 179.697 177.584 0.019 0.000 1.175 116 A CA 1.676 53.714 52.037 0.001 0.000 0.627 116 A CB -0.340 18.703 19.000 0.071 0.000 0.815 116 A HN 0.524 nan 8.150 nan 0.000 0.443 117 K N -0.249 120.182 120.400 0.053 0.000 2.026 117 K HA -0.055 4.266 4.320 0.001 0.000 0.208 117 K C 2.378 179.076 176.600 0.162 0.000 1.048 117 K CA 1.106 57.458 56.287 0.108 0.000 0.929 117 K CB -0.349 32.195 32.500 0.073 0.000 0.713 117 K HN 0.421 nan 8.250 nan 0.000 0.439 118 A N 1.538 124.417 122.820 0.098 0.000 1.873 118 A HA -0.189 4.132 4.320 0.001 0.000 0.218 118 A C 2.130 179.811 177.584 0.161 0.000 1.193 118 A CA 1.524 53.627 52.037 0.109 0.000 0.629 118 A CB -0.864 18.168 19.000 0.053 0.000 0.826 118 A HN 0.201 nan 8.150 nan 0.000 0.447 119 L N -0.209 121.086 121.223 0.120 0.000 2.191 119 L HA -0.144 4.196 4.340 0.001 0.000 0.212 119 L C 2.659 179.696 176.870 0.277 0.000 1.103 119 L CA 1.232 56.178 54.840 0.177 0.000 0.769 119 L CB -0.345 41.761 42.059 0.079 0.000 0.908 119 L HN 0.320 nan 8.230 nan 0.000 0.438 120 S N -1.720 114.063 115.700 0.139 0.000 2.447 120 S HA -0.114 4.357 4.470 0.001 0.000 0.233 120 S C 1.344 176.065 174.600 0.202 0.000 1.006 120 S CA 0.822 59.068 58.200 0.078 0.000 0.957 120 S CB -0.249 62.945 63.200 -0.010 0.000 0.773 120 S HN 0.496 nan 8.310 nan 0.000 0.507 121 H N 0.260 119.506 119.070 0.293 0.000 2.528 121 H HA 0.236 4.793 4.556 0.001 0.000 0.282 121 H C -0.362 175.077 175.328 0.183 0.000 1.097 121 H CA 0.046 56.263 56.048 0.282 0.000 1.121 121 H CB 0.397 30.289 29.762 0.216 0.000 1.590 121 H HN 0.148 nan 8.280 nan 0.000 0.553 122 T N 2.159 116.863 114.554 0.251 0.000 2.743 122 T HA 0.226 4.577 4.350 0.001 0.000 0.292 122 T C 1.564 176.190 174.700 -0.123 0.000 0.972 122 T CA -0.345 61.808 62.100 0.088 0.000 0.967 122 T CB 1.268 70.208 68.868 0.120 0.000 0.926 122 T HN 0.219 nan 8.240 nan 0.000 0.459 123 L N 2.999 124.064 121.223 -0.263 0.000 2.298 123 L HA 0.276 4.617 4.340 0.001 0.000 0.209 123 L C 1.289 177.804 176.870 -0.593 0.000 1.084 123 L CA 0.486 55.014 54.840 -0.519 0.000 0.816 123 L CB -0.182 41.552 42.059 -0.542 0.000 0.967 123 L HN 0.520 nan 8.230 nan 0.000 0.460 124 L N 0.739 121.679 121.223 -0.473 0.000 2.919 124 L HA 0.041 4.382 4.340 0.001 0.000 0.242 124 L C 1.641 178.115 176.870 -0.660 0.000 1.366 124 L CA -0.428 53.994 54.840 -0.696 0.000 1.212 124 L CB -0.228 41.668 42.059 -0.271 0.000 1.604 124 L HN 0.308 nan 8.230 nan 0.000 0.433 125 M N -0.265 118.946 119.600 -0.648 0.000 2.156 125 M HA -0.044 4.437 4.480 0.001 0.000 0.264 125 M C 1.272 177.438 176.300 -0.223 0.000 1.067 125 M CA 1.104 56.181 55.300 -0.372 0.000 1.131 125 M CB -0.591 31.758 32.600 -0.418 0.000 1.368 125 M HN 0.236 nan 8.290 nan 0.000 0.416 126 F N 0.101 119.953 119.950 -0.163 0.000 2.216 126 F HA -0.420 4.107 4.527 0.000 0.000 0.313 126 F C 1.623 177.387 175.800 -0.061 0.000 1.030 126 F CA 1.628 59.558 58.000 -0.117 0.000 0.956 126 F CB -1.845 37.110 39.000 -0.075 0.000 4.025 126 F HN 0.133 nan 8.300 nan 0.000 0.164 127 D N 0.334 120.902 120.400 0.279 0.000 2.218 127 D HA -0.091 4.549 4.640 0.001 0.000 0.204 127 D C 1.668 178.122 176.300 0.257 0.000 0.976 127 D CA 1.271 55.445 54.000 0.291 0.000 0.853 127 D CB -0.512 40.448 40.800 0.267 0.000 0.939 127 D HN 0.333 nan 8.370 nan 0.000 0.481 128 N N 0.430 119.222 118.700 0.152 0.000 2.430 128 N HA -0.165 4.576 4.740 0.001 0.000 0.186 128 N C 1.638 177.193 175.510 0.074 0.000 1.032 128 N CA 0.127 53.222 53.050 0.075 0.000 0.893 128 N CB -0.372 38.091 38.487 -0.040 0.000 0.957 128 N HN 0.302 nan 8.380 nan 0.000 0.442 129 F N 1.340 121.205 119.950 -0.143 0.000 2.120 129 F HA -0.270 4.257 4.527 0.001 0.000 0.300 129 F C 1.688 177.405 175.800 -0.138 0.000 1.095 129 F CA 1.494 59.359 58.000 -0.225 0.000 1.249 129 F CB -0.470 38.206 39.000 -0.540 0.000 0.995 129 F HN -0.012 nan 8.300 nan 0.000 0.480 130 Y N 0.239 120.621 120.300 0.136 0.000 2.439 130 Y HA -0.121 4.429 4.550 0.001 0.000 0.292 130 Y C 1.992 177.871 175.900 -0.034 0.000 1.130 130 Y CA 0.837 58.952 58.100 0.025 0.000 1.254 130 Y CB -0.611 37.948 38.460 0.164 0.000 1.000 130 Y HN 0.082 nan 8.280 nan 0.000 0.554 131 D N -0.512 119.956 120.400 0.113 0.000 2.178 131 D HA -0.137 4.504 4.640 0.001 0.000 0.202 131 D C 2.111 178.412 176.300 0.003 0.000 0.974 131 D CA 1.006 55.049 54.000 0.072 0.000 0.841 131 D CB -0.150 40.690 40.800 0.067 0.000 0.953 131 D HN 0.124 nan 8.370 nan 0.000 0.478 132 V N 0.789 120.667 119.914 -0.061 0.000 2.446 132 V HA -0.145 3.976 4.120 0.001 0.000 0.244 132 V C 2.347 178.348 176.094 -0.155 0.000 1.039 132 V CA 1.562 63.804 62.300 -0.097 0.000 1.045 132 V CB -0.433 31.348 31.823 -0.071 0.000 0.681 132 V HN 0.278 nan 8.190 nan 0.000 0.459 133 E N 0.939 120.975 120.200 -0.274 0.000 2.118 133 E HA -0.322 4.029 4.350 0.001 0.000 0.195 133 E C 2.091 178.652 176.600 -0.065 0.000 0.992 133 E CA 1.970 58.242 56.400 -0.214 0.000 0.804 133 E CB -0.332 29.200 29.700 -0.280 0.000 0.741 133 E HN 0.724 nan 8.360 nan 0.000 0.458 134 E N 0.759 120.946 120.200 -0.023 0.000 2.110 134 E HA -0.199 4.152 4.350 0.001 0.000 0.193 134 E C 1.923 178.525 176.600 0.003 0.000 0.988 134 E CA 1.143 57.553 56.400 0.015 0.000 0.804 134 E CB 0.103 29.828 29.700 0.043 0.000 0.745 134 E HN 0.250 nan 8.360 nan 0.000 0.458 135 K N -0.075 120.319 120.400 -0.009 0.000 2.103 135 K HA -0.044 4.276 4.320 0.001 0.000 0.204 135 K C 2.141 178.734 176.600 -0.013 0.000 1.052 135 K CA 0.792 57.076 56.287 -0.004 0.000 0.945 135 K CB -0.031 32.468 32.500 -0.003 0.000 0.722 135 K HN 0.106 nan 8.250 nan 0.000 0.443 136 A N 1.826 124.626 122.820 -0.034 0.000 1.902 136 A HA -0.194 4.127 4.320 0.001 0.000 0.217 136 A C 1.993 179.565 177.584 -0.019 0.000 1.181 136 A CA 1.520 53.534 52.037 -0.038 0.000 0.623 136 A CB -0.296 18.666 19.000 -0.063 0.000 0.818 136 A HN 0.167 nan 8.150 nan 0.000 0.443 137 K N -0.589 119.805 120.400 -0.009 0.000 2.365 137 K HA 0.094 4.415 4.320 0.001 0.000 0.199 137 K C 1.504 178.107 176.600 0.006 0.000 1.045 137 K CA 0.751 57.041 56.287 0.005 0.000 0.962 137 K CB -0.158 32.353 32.500 0.017 0.000 0.759 137 K HN 0.414 nan 8.250 nan 0.000 0.469 138 A N -0.448 122.375 122.820 0.004 0.000 2.275 138 A HA 0.265 4.586 4.320 0.001 0.000 0.212 138 A C 1.160 178.746 177.584 0.004 0.000 1.201 138 A CA 0.623 52.664 52.037 0.007 0.000 0.843 138 A CB 0.057 19.064 19.000 0.011 0.000 0.873 138 A HN 0.422 nan 8.150 nan 0.000 0.492 139 G N -0.480 108.319 108.800 -0.002 0.000 2.184 139 G HA2 -0.228 3.733 3.960 0.001 0.000 0.206 139 G HA3 -0.228 3.733 3.960 0.001 0.000 0.206 139 G C 0.084 174.980 174.900 -0.008 0.000 0.995 139 G CA 0.032 45.128 45.100 -0.007 0.000 0.651 139 G HN 0.530 nan 8.290 nan 0.000 0.511 140 N N 1.444 120.146 118.700 0.002 0.000 2.416 140 N HA 0.202 4.942 4.740 0.001 0.000 0.265 140 N C 1.257 176.758 175.510 -0.016 0.000 1.195 140 N CA 0.418 53.482 53.050 0.022 0.000 0.943 140 N CB 0.528 39.043 38.487 0.047 0.000 1.115 140 N HN 0.581 nan 8.380 nan 0.000 0.481 141 E N 2.970 123.125 120.200 -0.076 0.000 2.285 141 E HA -0.139 4.212 4.350 0.001 0.000 0.194 141 E C 0.647 177.101 176.600 -0.244 0.000 0.997 141 E CA 0.763 57.051 56.400 -0.187 0.000 0.845 141 E CB 0.029 29.570 29.700 -0.264 0.000 0.782 141 E HN 0.696 nan 8.360 nan 0.000 0.491 142 Y N 1.030 121.292 120.300 -0.063 0.000 2.242 142 Y HA -0.158 4.393 4.550 0.003 0.000 0.291 142 Y C 2.544 178.375 175.900 -0.116 0.000 1.137 142 Y CA 0.983 59.036 58.100 -0.078 0.000 1.181 142 Y CB -0.251 38.172 38.460 -0.063 0.000 0.989 142 Y HN 0.054 nan 8.280 nan 0.000 0.527 143 A N 0.168 123.007 122.820 0.031 0.000 1.969 143 A HA -0.161 4.160 4.320 0.001 0.000 0.218 143 A C 2.095 179.597 177.584 -0.137 0.000 1.169 143 A CA 1.419 53.411 52.037 -0.075 0.000 0.635 143 A CB -0.399 18.568 19.000 -0.055 0.000 0.810 143 A HN 0.387 nan 8.150 nan 0.000 0.445 144 K N -0.735 119.601 120.400 -0.108 0.000 2.103 144 K HA -0.145 4.176 4.320 0.001 0.000 0.204 144 K C 2.312 178.831 176.600 -0.135 0.000 1.052 144 K CA 1.308 57.528 56.287 -0.111 0.000 0.945 144 K CB -0.123 32.323 32.500 -0.090 0.000 0.722 144 K HN 0.655 nan 8.250 nan 0.000 0.443 145 Q N 0.911 120.626 119.800 -0.141 0.000 2.084 145 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 145 Q C 2.001 177.874 176.000 -0.210 0.000 0.978 145 Q CA 1.375 57.095 55.803 -0.138 0.000 0.844 145 Q CB 0.120 28.795 28.738 -0.105 0.000 0.898 145 Q HN 0.091 nan 8.270 nan 0.000 0.426 146 V N 0.768 120.496 119.914 -0.310 0.000 2.295 146 V HA -0.312 3.809 4.120 0.001 0.000 0.246 146 V C 2.483 178.101 176.094 -0.792 0.000 1.049 146 V CA 1.623 63.549 62.300 -0.624 0.000 1.024 146 V CB -0.529 30.853 31.823 -0.734 0.000 0.648 146 V HN 0.473 nan 8.190 nan 0.000 0.447 147 M N -0.802 118.505 119.600 -0.489 0.000 2.080 147 M HA -0.213 4.268 4.480 0.001 0.000 0.260 147 M C 2.340 178.616 176.300 -0.040 0.000 1.068 147 M CA 1.814 56.999 55.300 -0.191 0.000 1.109 147 M CB -1.199 31.353 32.600 -0.080 0.000 1.342 147 M HN 0.353 nan 8.290 nan 0.000 0.405 148 Q N -0.452 119.303 119.800 -0.074 0.000 2.084 148 Q HA -0.133 4.208 4.340 0.001 0.000 0.202 148 Q C 2.283 178.286 176.000 0.005 0.000 0.978 148 Q CA 1.838 57.632 55.803 -0.015 0.000 0.844 148 Q CB -0.496 28.220 28.738 -0.037 0.000 0.898 148 Q HN 0.513 nan 8.270 nan 0.000 0.426 149 S N -0.426 115.232 115.700 -0.070 0.000 2.368 149 S HA -0.136 4.335 4.470 0.001 0.000 0.225 149 S C 1.538 176.228 174.600 0.150 0.000 1.030 149 S CA 0.991 59.176 58.200 -0.025 0.000 0.999 149 S CB -0.178 62.951 63.200 -0.118 0.000 0.844 149 S HN 0.435 nan 8.310 nan 0.000 0.459 150 W N 1.533 122.897 121.300 0.106 0.000 2.355 150 W HA 0.129 4.789 4.660 -0.000 0.000 0.309 150 W C 2.952 179.579 176.519 0.181 0.000 1.206 150 W CA 0.525 57.980 57.345 0.183 0.000 1.284 150 W CB -1.584 27.967 29.460 0.152 0.000 1.145 150 W HN 0.453 nan 8.180 nan 0.000 0.502 151 A N 0.175 123.203 122.820 0.346 0.000 1.972 151 A HA -0.183 4.138 4.320 0.001 0.000 0.219 151 A C 1.582 179.253 177.584 0.145 0.000 1.169 151 A CA 2.025 54.194 52.037 0.220 0.000 0.635 151 A CB -0.669 18.425 19.000 0.157 0.000 0.810 151 A HN 0.096 nan 8.150 nan 0.000 0.446 152 D N -1.060 119.411 120.400 0.118 0.000 2.355 152 D HA 0.299 4.940 4.640 0.001 0.000 0.218 152 D C 1.034 177.342 176.300 0.013 0.000 1.004 152 D CA 1.014 55.041 54.000 0.045 0.000 0.880 152 D CB 0.015 40.829 40.800 0.024 0.000 0.911 152 D HN 0.612 nan 8.370 nan 0.000 0.528 153 A N 0.812 123.692 122.820 0.099 0.000 2.846 153 A HA -0.293 4.028 4.320 0.001 0.000 0.287 153 A C 1.375 178.841 177.584 -0.196 0.000 1.469 153 A CA 0.967 52.988 52.037 -0.027 0.000 0.757 153 A CB -2.293 16.578 19.000 -0.215 0.000 1.033 153 A HN 0.374 nan 8.150 nan 0.000 0.516 154 E N -0.515 119.668 120.200 -0.028 0.000 2.153 154 E HA -0.214 4.137 4.350 0.001 0.000 0.194 154 E C 1.847 178.405 176.600 -0.070 0.000 0.988 154 E CA 1.331 57.701 56.400 -0.051 0.000 0.811 154 E CB -0.201 29.494 29.700 -0.009 0.000 0.746 154 E HN 1.091 nan 8.360 nan 0.000 0.466 155 W N 0.583 121.865 121.300 -0.030 0.000 2.325 155 W HA -0.222 4.440 4.660 0.002 0.000 0.299 155 W C 1.717 178.367 176.519 0.218 0.000 1.215 155 W CA 0.538 57.893 57.345 0.017 0.000 1.244 155 W CB -1.047 28.454 29.460 0.069 0.000 1.140 155 W HN 0.018 nan 8.180 nan 0.000 0.523 156 F N 1.193 120.480 119.950 -1.104 0.000 2.179 156 F HA -0.027 4.500 4.527 0.001 0.000 0.292 156 F C 2.295 177.841 175.800 -0.423 0.000 1.089 156 F CA 0.950 58.323 58.000 -1.045 0.000 1.295 156 F CB -0.613 37.427 39.000 -1.600 0.000 1.041 156 F HN -0.325 nan 8.300 nan 0.000 0.487 157 L N 1.036 122.048 121.223 -0.351 0.000 2.191 157 L HA -0.185 4.156 4.340 0.001 0.000 0.212 157 L C 1.583 178.336 176.870 -0.195 0.000 1.103 157 L CA 1.392 56.063 54.840 -0.282 0.000 0.769 157 L CB -1.522 40.443 42.059 -0.158 0.000 0.908 157 L HN 0.156 nan 8.230 nan 0.000 0.438 158 N N -0.435 118.214 118.700 -0.085 0.000 2.521 158 N HA -0.014 4.727 4.740 0.001 0.000 0.188 158 N C 0.257 175.750 175.510 -0.028 0.000 1.146 158 N CA 0.332 53.386 53.050 0.007 0.000 0.893 158 N CB 0.042 38.640 38.487 0.184 0.000 0.975 158 N HN 0.291 nan 8.380 nan 0.000 0.451 159 R N 0.691 121.122 120.500 -0.114 0.000 2.428 159 R HA 0.345 4.686 4.340 0.001 0.000 0.294 159 R C -2.417 173.785 176.300 -0.163 0.000 1.000 159 R CA -1.724 54.310 56.100 -0.110 0.000 0.960 159 R CB 0.569 30.803 30.300 -0.111 0.000 1.076 159 R HN -0.058 nan 8.270 nan 0.000 0.475 160 P HA -0.024 nan 4.420 nan 0.000 0.264 160 P C -0.722 176.516 177.300 -0.103 0.000 1.193 160 P CA 0.169 63.218 63.100 -0.086 0.000 0.763 160 P CB 0.717 32.389 31.700 -0.048 0.000 0.810 161 A N 3.769 126.532 122.820 -0.095 0.000 2.366 161 A HA 0.258 4.579 4.320 0.001 0.000 0.249 161 A C -0.006 177.592 177.584 0.024 0.000 1.084 161 A CA -0.386 51.619 52.037 -0.054 0.000 0.794 161 A CB -0.190 18.795 19.000 -0.025 0.000 1.034 161 A HN 0.593 nan 8.150 nan 0.000 0.491 162 L N 1.628 122.903 121.223 0.086 0.000 2.513 162 L HA 0.427 4.768 4.340 0.001 0.000 0.272 162 L C 0.852 177.848 176.870 0.209 0.000 1.187 162 L CA 0.572 55.478 54.840 0.111 0.000 0.895 162 L CB -0.212 41.888 42.059 0.068 0.000 1.147 162 L HN 0.868 nan 8.230 nan 0.000 0.483 163 A N 4.404 127.303 122.820 0.131 0.000 2.466 163 A HA 0.102 4.423 4.320 0.001 0.000 0.238 163 A C 1.050 178.781 177.584 0.245 0.000 1.074 163 A CA 0.103 52.216 52.037 0.127 0.000 0.774 163 A CB -0.026 19.006 19.000 0.053 0.000 1.015 163 A HN 0.927 nan 8.150 nan 0.000 0.498 164 E N -0.097 120.210 120.200 0.179 0.000 2.274 164 E HA -0.066 4.285 4.350 0.001 0.000 0.194 164 E C 0.465 177.160 176.600 0.158 0.000 0.996 164 E CA 0.863 57.412 56.400 0.248 0.000 0.840 164 E CB 0.159 29.906 29.700 0.078 0.000 0.772 164 E HN 0.499 nan 8.360 nan 0.000 0.491 165 K N 1.033 121.422 120.400 -0.018 0.000 2.541 165 K HA 0.291 4.612 4.320 0.001 0.000 0.250 165 K C -1.580 174.905 176.600 -0.191 0.000 0.950 165 K CA -0.333 55.771 56.287 -0.305 0.000 0.805 165 K CB 0.966 33.261 32.500 -0.341 0.000 1.166 165 K HN -0.064 nan 8.250 nan 0.000 0.430 166 L N 3.119 124.214 121.223 -0.213 0.000 2.296 166 L HA 0.405 4.746 4.340 0.001 0.000 0.286 166 L C -0.218 176.545 176.870 -0.178 0.000 1.023 166 L CA -0.778 53.985 54.840 -0.129 0.000 0.812 166 L CB 2.046 44.058 42.059 -0.078 0.000 1.223 166 L HN 0.574 nan 8.230 nan 0.000 0.421 167 T N 3.270 117.719 114.554 -0.174 0.000 2.756 167 T HA 0.561 4.912 4.350 0.001 0.000 0.290 167 T C -0.199 174.343 174.700 -0.264 0.000 0.985 167 T CA -0.476 61.416 62.100 -0.345 0.000 0.955 167 T CB 1.308 69.813 68.868 -0.606 0.000 0.930 167 T HN 0.401 nan 8.240 nan 0.000 0.451 168 V N 0.994 120.753 119.914 -0.258 0.000 3.040 168 V HA 0.783 4.904 4.120 0.001 0.000 0.312 168 V C -0.148 175.873 176.094 -0.123 0.000 1.115 168 V CA -0.963 61.268 62.300 -0.116 0.000 0.998 168 V CB 2.013 33.804 31.823 -0.054 0.000 1.042 168 V HN 0.656 nan 8.190 nan 0.000 0.433 169 T N 2.136 116.683 114.554 -0.011 0.000 2.799 169 T HA 0.523 4.874 4.350 0.001 0.000 0.286 169 T C -0.134 174.584 174.700 0.029 0.000 0.973 169 T CA -0.196 61.912 62.100 0.012 0.000 1.035 169 T CB 1.323 70.239 68.868 0.080 0.000 0.932 169 T HN 0.682 nan 8.240 nan 0.000 0.469 170 V N 4.770 124.690 119.914 0.010 0.000 2.470 170 V HA 0.222 4.343 4.120 0.001 0.000 0.276 170 V C -0.193 175.924 176.094 0.039 0.000 1.040 170 V CA -0.340 61.967 62.300 0.011 0.000 1.008 170 V CB -0.100 31.706 31.823 -0.028 0.000 0.990 170 V HN 0.789 nan 8.190 nan 0.000 0.477 171 F N 6.557 126.440 119.950 -0.112 0.000 2.293 171 F HA 0.556 5.084 4.527 0.002 0.000 0.370 171 F C 0.135 175.777 175.800 -0.264 0.000 1.090 171 F CA -0.976 56.928 58.000 -0.161 0.000 1.133 171 F CB 0.700 39.610 39.000 -0.150 0.000 1.360 171 F HN 0.393 nan 8.300 nan 0.000 0.489 172 K N 4.663 124.757 120.400 -0.510 0.000 2.227 172 K HA 0.568 4.889 4.320 0.001 0.000 0.280 172 K C -1.612 174.643 176.600 -0.575 0.000 1.041 172 K CA -0.419 55.603 56.287 -0.441 0.000 0.905 172 K CB 1.281 33.626 32.500 -0.258 0.000 1.068 172 K HN 0.402 nan 8.250 nan 0.000 0.470 173 V N 5.317 124.950 119.914 -0.469 0.000 2.304 173 V HA 0.217 4.338 4.120 0.001 0.000 0.278 173 V C -0.166 175.820 176.094 -0.181 0.000 1.018 173 V CA -0.835 61.263 62.300 -0.337 0.000 0.814 173 V CB 0.818 32.491 31.823 -0.250 0.000 1.021 173 V HN 1.021 nan 8.190 nan 0.000 0.440 174 T N 2.117 116.578 114.554 -0.155 0.000 2.926 174 T HA 0.589 4.940 4.350 0.001 0.000 0.307 174 T C 0.781 175.441 174.700 -0.066 0.000 1.059 174 T CA 0.648 62.689 62.100 -0.098 0.000 1.122 174 T CB 1.314 70.129 68.868 -0.089 0.000 0.972 174 T HN 1.812 nan 8.240 nan 0.000 0.545 175 G N 1.590 110.362 108.800 -0.046 0.000 2.527 175 G HA2 -0.177 3.784 3.960 0.001 0.000 0.227 175 G HA3 -0.177 3.784 3.960 0.001 0.000 0.227 175 G C -0.515 174.368 174.900 -0.028 0.000 1.291 175 G CA -0.024 45.056 45.100 -0.034 0.000 0.904 175 G HN 1.191 nan 8.290 nan 0.000 0.577 176 E N -0.076 120.103 120.200 -0.036 0.000 2.174 176 E HA 0.574 4.925 4.350 0.001 0.000 0.282 176 E C -0.389 176.170 176.600 -0.069 0.000 0.992 176 E CA -0.219 56.149 56.400 -0.052 0.000 0.803 176 E CB 0.736 30.396 29.700 -0.067 0.000 1.090 176 E HN 0.412 nan 8.360 nan 0.000 0.396 177 T N 4.697 119.211 114.554 -0.066 0.000 2.738 177 T HA 0.169 4.520 4.350 0.001 0.000 0.298 177 T C -0.225 174.342 174.700 -0.221 0.000 0.962 177 T CA -0.403 61.647 62.100 -0.082 0.000 0.972 177 T CB 0.138 69.020 68.868 0.024 0.000 0.928 177 T HN 0.528 nan 8.240 nan 0.000 0.474 178 N N 1.634 120.183 118.700 -0.252 0.000 2.524 178 N HA 0.152 4.893 4.740 0.001 0.000 0.283 178 N C 1.735 177.080 175.510 -0.276 0.000 1.142 178 N CA -0.470 52.366 53.050 -0.357 0.000 0.984 178 N CB 0.981 39.176 38.487 -0.486 0.000 1.155 178 N HN 0.476 nan 8.380 nan 0.000 0.467 179 T N -0.914 113.490 114.554 -0.251 0.000 2.929 179 T HA -0.168 4.183 4.350 0.001 0.000 0.271 179 T C 1.268 175.930 174.700 -0.063 0.000 1.085 179 T CA 1.010 63.026 62.100 -0.140 0.000 1.125 179 T CB -0.196 68.644 68.868 -0.046 0.000 0.874 179 T HN 0.553 nan 8.240 nan 0.000 0.494 180 D N 1.511 121.865 120.400 -0.077 0.000 2.178 180 D HA -0.122 4.518 4.640 0.001 0.000 0.202 180 D C 1.435 177.718 176.300 -0.029 0.000 0.974 180 D CA 1.003 54.989 54.000 -0.024 0.000 0.841 180 D CB -0.142 40.652 40.800 -0.010 0.000 0.953 180 D HN 0.374 nan 8.370 nan 0.000 0.478 181 D N 0.267 120.629 120.400 -0.064 0.000 2.144 181 D HA -0.109 4.532 4.640 0.001 0.000 0.199 181 D C 2.229 178.529 176.300 -0.000 0.000 0.984 181 D CA 0.510 54.491 54.000 -0.033 0.000 0.834 181 D CB -0.042 40.733 40.800 -0.042 0.000 0.955 181 D HN 0.354 nan 8.370 nan 0.000 0.465 182 L N -0.655 120.562 121.223 -0.009 0.000 2.249 182 L HA 0.058 4.399 4.340 0.001 0.000 0.207 182 L C 1.022 177.915 176.870 0.039 0.000 1.090 182 L CA 0.357 55.213 54.840 0.026 0.000 0.802 182 L CB 0.320 42.379 42.059 0.001 0.000 0.947 182 L HN -0.153 nan 8.230 nan 0.000 0.453 183 S N 0.038 115.766 115.700 0.046 0.000 2.312 183 S HA 0.370 4.841 4.470 0.001 0.000 0.173 183 S C -2.598 172.047 174.600 0.075 0.000 1.488 183 S CA -1.320 56.943 58.200 0.105 0.000 1.239 183 S CB 0.613 63.971 63.200 0.264 0.000 1.215 183 S HN -0.206 nan 8.310 nan 0.000 0.438 184 P HA 0.173 nan 4.420 nan 0.000 0.267 184 P C 0.740 178.077 177.300 0.062 0.000 1.200 184 P CA 0.001 63.116 63.100 0.025 0.000 0.772 184 P CB 0.601 32.299 31.700 -0.004 0.000 0.855 185 A N 5.668 128.531 122.820 0.071 0.000 1.908 185 A HA -0.118 4.203 4.320 0.001 0.000 0.218 185 A C -0.503 177.149 177.584 0.112 0.000 1.181 185 A CA 1.856 53.948 52.037 0.093 0.000 0.627 185 A CB -2.429 16.624 19.000 0.087 0.000 0.818 185 A HN 0.489 nan 8.150 nan 0.000 0.445 186 P HA -0.055 nan 4.420 nan 0.000 0.225 186 P C 0.115 177.541 177.300 0.210 0.000 1.148 186 P CA 1.016 64.207 63.100 0.152 0.000 0.779 186 P CB -0.010 31.760 31.700 0.116 0.000 0.780 187 D N -1.111 119.347 120.400 0.097 0.000 2.388 187 D HA 0.176 4.817 4.640 0.001 0.000 0.221 187 D C 1.494 177.729 176.300 -0.108 0.000 1.133 187 D CA 0.033 53.990 54.000 -0.072 0.000 0.831 187 D CB 0.357 41.055 40.800 -0.170 0.000 0.962 187 D HN 0.083 nan 8.370 nan 0.000 0.502 188 A N 1.603 124.452 122.820 0.048 0.000 1.978 188 A HA -0.158 4.163 4.320 0.001 0.000 0.220 188 A C 2.071 179.631 177.584 -0.040 0.000 1.170 188 A CA 0.659 52.709 52.037 0.021 0.000 0.636 188 A CB -1.028 18.025 19.000 0.089 0.000 0.810 188 A HN 0.571 nan 8.150 nan 0.000 0.448 189 W N 0.586 121.918 121.300 0.054 0.000 2.421 189 W HA -0.096 4.564 4.660 0.000 0.000 0.270 189 W C 1.353 177.880 176.519 0.014 0.000 1.233 189 W CA 1.346 58.706 57.345 0.025 0.000 1.226 189 W CB -1.218 28.260 29.460 0.029 0.000 1.121 189 W HN 0.526 nan 8.180 nan 0.000 0.579 190 S N 0.334 115.515 115.700 -0.865 0.000 2.556 190 S HA 0.164 4.635 4.470 0.001 0.000 0.216 190 S C 1.601 175.954 174.600 -0.411 0.000 0.970 190 S CA -0.356 57.377 58.200 -0.779 0.000 0.912 190 S CB -0.255 62.158 63.200 -1.312 0.000 0.790 190 S HN 0.187 nan 8.310 nan 0.000 0.504 191 R N 1.983 122.192 120.500 -0.485 0.000 2.119 191 R HA -0.075 4.266 4.340 0.001 0.000 0.246 191 R C -0.914 175.153 176.300 -0.388 0.000 1.146 191 R CA 2.019 57.705 56.100 -0.690 0.000 0.962 191 R CB -1.662 28.307 30.300 -0.551 0.000 0.863 191 R HN 0.444 nan 8.270 nan 0.000 0.442 192 P HA -0.061 nan 4.420 nan 0.000 0.229 192 P C -0.271 176.936 177.300 -0.154 0.000 1.160 192 P CA 0.884 63.885 63.100 -0.164 0.000 0.777 192 P CB 0.090 31.726 31.700 -0.105 0.000 0.814 193 D N -0.212 120.088 120.400 -0.166 0.000 2.500 193 D HA 0.131 4.772 4.640 0.001 0.000 0.219 193 D C 1.290 177.447 176.300 -0.238 0.000 1.137 193 D CA -0.318 53.586 54.000 -0.160 0.000 0.946 193 D CB -0.308 40.429 40.800 -0.105 0.000 1.022 193 D HN -0.044 nan 8.370 nan 0.000 0.518 194 I N 3.548 123.935 120.570 -0.305 0.000 2.118 194 I HA -0.225 3.946 4.170 0.001 0.000 0.241 194 I C -0.652 175.054 176.117 -0.686 0.000 1.070 194 I CA 1.099 62.144 61.300 -0.425 0.000 1.327 194 I CB -0.988 36.763 38.000 -0.414 0.000 1.034 194 I HN 0.339 nan 8.210 nan 0.000 0.405 195 P HA -0.172 nan 4.420 nan 0.000 0.217 195 P C 1.969 178.994 177.300 -0.458 0.000 1.150 195 P CA 1.337 63.796 63.100 -1.068 0.000 0.832 195 P CB 0.035 31.256 31.700 -0.798 0.000 0.787 196 L N -1.207 119.839 121.223 -0.295 0.000 2.005 196 L HA -0.198 4.143 4.340 0.001 0.000 0.207 196 L C 2.470 179.241 176.870 -0.165 0.000 1.072 196 L CA 1.950 56.691 54.840 -0.164 0.000 0.744 196 L CB -0.831 41.156 42.059 -0.120 0.000 0.895 196 L HN 0.047 nan 8.230 nan 0.000 0.433 197 H N -0.129 118.765 119.070 -0.293 0.000 2.456 197 H HA -0.119 4.438 4.556 0.001 0.000 0.296 197 H C 2.029 177.256 175.328 -0.167 0.000 1.079 197 H CA 1.464 57.349 56.048 -0.270 0.000 1.322 197 H CB 0.111 29.703 29.762 -0.285 0.000 1.388 197 H HN 0.439 nan 8.280 nan 0.000 0.538 198 A N 0.362 123.084 122.820 -0.163 0.000 2.019 198 A HA -0.094 4.227 4.320 0.001 0.000 0.219 198 A C 2.293 179.954 177.584 0.129 0.000 1.164 198 A CA 1.242 53.235 52.037 -0.072 0.000 0.644 198 A CB -0.708 18.108 19.000 -0.307 0.000 0.805 198 A HN 0.508 nan 8.150 nan 0.000 0.449 199 L N -1.225 120.029 121.223 0.051 0.000 2.275 199 L HA -0.129 4.212 4.340 0.001 0.000 0.215 199 L C 2.622 179.509 176.870 0.029 0.000 1.119 199 L CA 0.840 55.746 54.840 0.110 0.000 0.790 199 L CB -0.404 41.686 42.059 0.051 0.000 0.919 199 L HN 0.425 nan 8.230 nan 0.000 0.443 200 A N -0.711 122.054 122.820 -0.092 0.000 2.251 200 A HA 0.061 4.382 4.320 0.001 0.000 0.209 200 A C 1.245 178.783 177.584 -0.077 0.000 1.187 200 A CA -0.259 51.704 52.037 -0.124 0.000 0.823 200 A CB -0.198 18.646 19.000 -0.260 0.000 0.846 200 A HN 0.303 nan 8.150 nan 0.000 0.486 201 M N 1.025 120.623 119.600 -0.003 0.000 2.303 201 M HA 0.200 4.681 4.480 0.001 0.000 0.350 201 M C -0.376 175.958 176.300 0.057 0.000 1.518 201 M CA 0.530 55.865 55.300 0.059 0.000 1.070 201 M CB -0.326 32.391 32.600 0.194 0.000 1.910 201 M HN 0.390 nan 8.290 nan 0.000 0.458 202 L N 4.786 126.042 121.223 0.056 0.000 3.739 202 L HA -0.310 4.031 4.340 0.001 0.000 0.442 202 L C 1.338 178.229 176.870 0.033 0.000 1.241 202 L CA 0.881 55.757 54.840 0.060 0.000 0.819 202 L CB -1.455 40.673 42.059 0.116 0.000 1.679 202 L HN 0.797 nan 8.230 nan 0.000 0.889 203 K N -1.973 118.436 120.400 0.014 0.000 2.432 203 K HA 0.016 4.337 4.320 0.001 0.000 0.196 203 K C 0.591 177.197 176.600 0.010 0.000 1.038 203 K CA 0.480 56.772 56.287 0.009 0.000 0.986 203 K CB 0.207 32.707 32.500 -0.001 0.000 0.782 203 K HN 0.382 nan 8.250 nan 0.000 0.485 204 N N 1.804 120.510 118.700 0.010 0.000 2.438 204 N HA 0.209 4.950 4.740 0.001 0.000 0.282 204 N C -0.852 174.662 175.510 0.006 0.000 1.037 204 N CA -0.192 52.862 53.050 0.007 0.000 0.942 204 N CB 1.665 40.155 38.487 0.005 0.000 1.136 204 N HN 0.297 nan 8.380 nan 0.000 0.481 205 A N 2.870 125.691 122.820 0.002 0.000 2.531 205 A HA 0.271 4.592 4.320 0.001 0.000 0.236 205 A C 0.464 178.042 177.584 -0.010 0.000 1.062 205 A CA 0.364 52.399 52.037 -0.004 0.000 0.760 205 A CB 0.220 19.216 19.000 -0.006 0.000 0.995 205 A HN 0.699 nan 8.150 nan 0.000 0.501 206 R N 0.106 120.595 120.500 -0.018 0.000 2.799 206 R HA 0.306 4.647 4.340 0.001 0.000 0.270 206 R C -0.728 175.546 176.300 -0.044 0.000 1.010 206 R CA -0.877 55.206 56.100 -0.029 0.000 0.916 206 R CB 1.552 31.833 30.300 -0.032 0.000 1.228 206 R HN 0.936 nan 8.270 nan 0.000 0.469 207 E N 0.378 120.548 120.200 -0.049 0.000 2.558 207 E HA -0.004 4.347 4.350 0.001 0.000 0.255 207 E C 0.606 177.154 176.600 -0.087 0.000 0.968 207 E CA 1.472 57.837 56.400 -0.059 0.000 0.939 207 E CB 0.165 29.831 29.700 -0.057 0.000 0.921 207 E HN 0.733 nan 8.360 nan 0.000 0.477 208 G N 4.288 113.036 108.800 -0.086 0.000 2.205 208 G HA2 -0.220 3.740 3.960 0.001 0.000 0.261 208 G HA3 -0.220 3.740 3.960 0.001 0.000 0.261 208 G C 0.091 174.913 174.900 -0.130 0.000 0.980 208 G CA 0.267 45.296 45.100 -0.118 0.000 0.632 208 G HN 0.507 nan 8.290 nan 0.000 0.533 209 I N 1.279 121.792 120.570 -0.096 0.000 2.389 209 I HA 0.409 4.580 4.170 0.001 0.000 0.288 209 I C -0.191 175.912 176.117 -0.024 0.000 0.999 209 I CA -0.822 60.440 61.300 -0.064 0.000 1.129 209 I CB 1.472 39.444 38.000 -0.047 0.000 1.288 209 I HN 0.139 nan 8.210 nan 0.000 0.444 210 E N 7.538 127.733 120.200 -0.007 0.000 2.183 210 E HA 0.343 4.694 4.350 0.001 0.000 0.250 210 E C -2.408 174.196 176.600 0.005 0.000 0.901 210 E CA -1.703 54.695 56.400 -0.003 0.000 0.741 210 E CB 1.452 31.148 29.700 -0.007 0.000 1.182 210 E HN 0.290 nan 8.360 nan 0.000 0.425 211 P HA -0.009 nan 4.420 nan 0.000 0.269 211 P C 0.062 177.363 177.300 0.002 0.000 1.209 211 P CA -0.101 63.002 63.100 0.005 0.000 0.776 211 P CB 0.863 32.568 31.700 0.007 0.000 0.876 212 D N 0.837 121.237 120.400 0.000 0.000 2.117 212 D HA -0.114 4.527 4.640 0.001 0.000 0.197 212 D C 0.284 176.588 176.300 0.008 0.000 0.987 212 D CA 1.660 55.662 54.000 0.003 0.000 0.829 212 D CB 0.067 40.870 40.800 0.005 0.000 0.961 212 D HN 0.538 nan 8.370 nan 0.000 0.460 213 Q N 0.162 119.969 119.800 0.010 0.000 2.533 213 Q HA 0.340 4.681 4.340 0.001 0.000 0.251 213 Q C -2.665 173.342 176.000 0.012 0.000 0.966 213 Q CA -1.878 53.932 55.803 0.013 0.000 0.714 213 Q CB 2.436 31.184 28.738 0.017 0.000 1.284 213 Q HN -0.081 nan 8.270 nan 0.000 0.478 214 P HA -0.102 nan 4.420 nan 0.000 0.261 214 P C 0.928 178.236 177.300 0.012 0.000 1.173 214 P CA 1.475 64.580 63.100 0.009 0.000 0.760 214 P CB 0.502 32.207 31.700 0.007 0.000 0.783 215 G N 1.340 110.147 108.800 0.012 0.000 2.179 215 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 215 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 215 G C 0.575 175.487 174.900 0.020 0.000 0.977 215 G CA 0.342 45.452 45.100 0.016 0.000 0.641 215 G HN 0.440 nan 8.290 nan 0.000 0.533 216 V N -1.509 118.416 119.914 0.019 0.000 3.177 216 V HA 0.403 4.524 4.120 0.001 0.000 0.219 216 V C 0.755 176.859 176.094 0.017 0.000 1.344 216 V CA 0.978 63.292 62.300 0.024 0.000 1.324 216 V CB 1.062 32.903 31.823 0.030 0.000 1.165 216 V HN 0.354 nan 8.190 nan 0.000 0.510 217 V N 0.909 120.834 119.914 0.018 0.000 2.656 217 V HA 0.822 4.943 4.120 0.001 0.000 0.307 217 V C 0.649 176.751 176.094 0.013 0.000 1.051 217 V CA -0.032 62.280 62.300 0.020 0.000 0.893 217 V CB 1.210 33.050 31.823 0.029 0.000 0.999 217 V HN 0.387 nan 8.190 nan 0.000 0.426 218 G N 3.774 112.581 108.800 0.011 0.000 2.489 218 G HA2 0.373 4.333 3.960 0.001 0.000 0.271 218 G HA3 0.373 4.333 3.960 0.001 0.000 0.271 218 G C -2.316 172.564 174.900 -0.033 0.000 1.427 218 G CA -0.982 44.115 45.100 -0.005 0.000 1.057 218 G HN 0.589 nan 8.290 nan 0.000 0.532 219 P HA 0.233 nan 4.420 nan 0.000 0.218 219 P C 1.080 178.293 177.300 -0.144 0.000 1.793 219 P CA -0.199 62.873 63.100 -0.047 0.000 0.941 219 P CB -0.207 31.521 31.700 0.046 0.000 1.919 220 I N -0.499 119.976 120.570 -0.159 0.000 2.179 220 I HA -0.277 3.894 4.170 0.001 0.000 0.242 220 I C 2.079 178.125 176.117 -0.119 0.000 1.088 220 I CA 1.511 62.687 61.300 -0.205 0.000 1.357 220 I CB -0.416 37.541 38.000 -0.073 0.000 1.051 220 I HN 0.038 nan 8.210 nan 0.000 0.409 221 K N 0.895 121.262 120.400 -0.055 0.000 2.009 221 K HA -0.252 4.069 4.320 0.001 0.000 0.210 221 K C 2.059 178.644 176.600 -0.026 0.000 1.049 221 K CA 1.480 57.749 56.287 -0.029 0.000 0.929 221 K CB -0.642 31.850 32.500 -0.012 0.000 0.714 221 K HN 0.317 nan 8.250 nan 0.000 0.440 222 Q N 0.145 119.936 119.800 -0.015 0.000 2.077 222 Q HA -0.177 4.164 4.340 0.001 0.000 0.206 222 Q C 2.022 178.035 176.000 0.022 0.000 0.989 222 Q CA 1.848 57.665 55.803 0.023 0.000 0.853 222 Q CB -0.166 28.611 28.738 0.065 0.000 0.907 222 Q HN 0.333 nan 8.270 nan 0.000 0.418 223 I N 0.334 120.867 120.570 -0.061 0.000 2.252 223 I HA -0.260 3.911 4.170 0.001 0.000 0.245 223 I C 2.145 178.208 176.117 -0.091 0.000 1.102 223 I CA 1.378 62.589 61.300 -0.149 0.000 1.385 223 I CB -0.160 37.595 38.000 -0.409 0.000 1.064 223 I HN 0.302 nan 8.210 nan 0.000 0.414 224 E N 0.756 120.911 120.200 -0.076 0.000 2.077 224 E HA -0.213 4.138 4.350 0.001 0.000 0.193 224 E C 2.338 178.926 176.600 -0.020 0.000 0.989 224 E CA 1.248 57.623 56.400 -0.040 0.000 0.800 224 E CB -0.214 29.470 29.700 -0.027 0.000 0.746 224 E HN 0.502 nan 8.360 nan 0.000 0.452 225 A N 1.165 123.979 122.820 -0.010 0.000 1.917 225 A HA -0.200 4.121 4.320 0.001 0.000 0.219 225 A C 2.172 179.764 177.584 0.013 0.000 1.182 225 A CA 1.219 53.257 52.037 0.002 0.000 0.633 225 A CB -0.678 18.326 19.000 0.007 0.000 0.819 225 A HN 0.163 nan 8.150 nan 0.000 0.448 226 L N -1.185 120.052 121.223 0.024 0.000 2.141 226 L HA -0.220 4.121 4.340 0.001 0.000 0.209 226 L C 2.811 179.703 176.870 0.036 0.000 1.094 226 L CA 1.363 56.230 54.840 0.044 0.000 0.763 226 L CB -0.467 41.639 42.059 0.079 0.000 0.908 226 L HN 0.500 nan 8.230 nan 0.000 0.437 227 Q N -0.701 119.104 119.800 0.008 0.000 2.172 227 Q HA -0.247 4.094 4.340 0.001 0.000 0.200 227 Q C 2.094 178.083 176.000 -0.018 0.000 0.964 227 Q CA 0.945 56.745 55.803 -0.005 0.000 0.855 227 Q CB -0.035 28.688 28.738 -0.026 0.000 0.918 227 Q HN 0.299 nan 8.270 nan 0.000 0.444 228 Q N 1.509 121.300 119.800 -0.015 0.000 2.297 228 Q HA -0.162 4.179 4.340 0.001 0.000 0.208 228 Q C 1.223 177.205 176.000 -0.030 0.000 0.981 228 Q CA 1.408 57.195 55.803 -0.026 0.000 0.876 228 Q CB 0.041 28.770 28.738 -0.015 0.000 0.921 228 Q HN 0.165 nan 8.270 nan 0.000 0.446 229 K N -1.294 119.109 120.400 0.004 0.000 2.442 229 K HA -0.051 4.270 4.320 0.001 0.000 0.198 229 K C 0.892 177.440 176.600 -0.088 0.000 1.044 229 K CA 0.703 57.012 56.287 0.036 0.000 0.948 229 K CB -0.165 32.420 32.500 0.141 0.000 0.762 229 K HN 0.466 nan 8.250 nan 0.000 0.472 230 G N 0.405 109.100 108.800 -0.175 0.000 2.141 230 G HA2 -0.238 3.723 3.960 0.001 0.000 0.242 230 G HA3 -0.238 3.723 3.960 0.001 0.000 0.242 230 G C -0.154 174.356 174.900 -0.649 0.000 0.982 230 G CA -0.232 44.622 45.100 -0.410 0.000 0.662 230 G HN 0.165 nan 8.290 nan 0.000 0.527 231 F N 0.043 119.963 119.950 -0.050 0.000 2.593 231 F HA 0.668 5.195 4.527 0.001 0.000 0.320 231 F C -2.078 173.689 175.800 -0.055 0.000 1.060 231 F CA -2.617 55.344 58.000 -0.066 0.000 0.940 231 F CB 1.550 40.494 39.000 -0.094 0.000 1.268 231 F HN -0.173 nan 8.300 nan 0.000 0.475 232 P HA 0.244 nan 4.420 nan 0.000 0.272 232 P C -0.717 176.618 177.300 0.059 0.000 1.223 232 P CA -0.210 62.924 63.100 0.057 0.000 0.784 232 P CB 0.544 32.264 31.700 0.033 0.000 0.923 233 L N 0.908 122.152 121.223 0.035 0.000 2.416 233 L HA 0.689 5.030 4.340 0.001 0.000 0.262 233 L C 0.454 177.353 176.870 0.048 0.000 1.093 233 L CA -0.871 53.995 54.840 0.043 0.000 0.801 233 L CB 0.855 42.924 42.059 0.017 0.000 1.191 233 L HN 0.361 nan 8.230 nan 0.000 0.459 234 A N 1.146 124.009 122.820 0.071 0.000 2.356 234 A HA 0.442 4.763 4.320 0.001 0.000 0.310 234 A C -1.400 176.277 177.584 0.156 0.000 1.075 234 A CA -0.423 51.666 52.037 0.087 0.000 0.746 234 A CB 0.882 19.906 19.000 0.040 0.000 1.221 234 A HN 0.559 nan 8.150 nan 0.000 0.443 235 Y N 2.557 122.917 120.300 0.101 0.000 2.402 235 Y HA 0.452 5.002 4.550 0.001 0.000 0.333 235 Y C -0.408 175.566 175.900 0.122 0.000 1.076 235 Y CA 0.603 58.806 58.100 0.173 0.000 1.299 235 Y CB 0.768 39.327 38.460 0.165 0.000 1.197 235 Y HN 0.444 nan 8.280 nan 0.000 0.517 236 V N 5.595 125.423 119.914 -0.143 0.000 2.577 236 V HA 0.834 4.955 4.120 0.001 0.000 0.303 236 V C -0.021 175.996 176.094 -0.128 0.000 1.042 236 V CA -0.299 61.969 62.300 -0.053 0.000 0.872 236 V CB 1.479 33.261 31.823 -0.069 0.000 0.998 236 V HN 0.987 nan 8.190 nan 0.000 0.423 237 G N 1.846 110.658 108.800 0.020 0.000 2.677 237 G HA2 0.458 4.419 3.960 0.001 0.000 0.291 237 G HA3 0.458 4.419 3.960 0.001 0.000 0.291 237 G C -0.321 174.594 174.900 0.025 0.000 1.435 237 G CA -0.357 44.750 45.100 0.012 0.000 0.826 237 G HN 0.493 nan 8.290 nan 0.000 0.491 238 D N -1.125 119.277 120.400 0.003 0.000 2.091 238 D HA -0.034 4.606 4.640 0.001 0.000 0.199 238 D C 0.734 177.046 176.300 0.020 0.000 0.980 238 D CA 1.534 55.538 54.000 0.007 0.000 0.831 238 D CB 0.372 41.168 40.800 -0.007 0.000 0.987 238 D HN 0.106 nan 8.370 nan 0.000 0.460 239 V N 1.674 121.595 119.914 0.012 0.000 2.531 239 V HA 0.333 4.454 4.120 0.001 0.000 0.301 239 V C -0.180 175.904 176.094 -0.016 0.000 1.034 239 V CA -0.698 61.606 62.300 0.006 0.000 0.865 239 V CB 2.490 34.311 31.823 -0.003 0.000 0.995 239 V HN -0.186 nan 8.190 nan 0.000 0.424 240 V N 2.895 122.796 119.914 -0.022 0.000 2.588 240 V HA 0.832 4.952 4.120 0.001 0.000 0.304 240 V C 0.849 176.769 176.094 -0.289 0.000 1.042 240 V CA 0.275 62.502 62.300 -0.121 0.000 0.877 240 V CB 1.312 33.134 31.823 -0.001 0.000 0.996 240 V HN 1.204 nan 8.190 nan 0.000 0.425 241 G N 3.159 111.579 108.800 -0.633 0.000 2.132 241 G HA2 -0.217 3.744 3.960 0.001 0.000 0.234 241 G HA3 -0.217 3.744 3.960 0.001 0.000 0.234 241 G C 0.227 174.944 174.900 -0.305 0.000 0.989 241 G CA 0.154 44.720 45.100 -0.890 0.000 0.676 241 G HN 1.115 nan 8.290 nan 0.000 0.522 242 T N -1.431 112.986 114.554 -0.229 0.000 2.813 242 T HA 0.740 5.091 4.350 0.001 0.000 0.297 242 T C 1.511 176.133 174.700 -0.130 0.000 1.036 242 T CA 0.896 62.928 62.100 -0.114 0.000 1.044 242 T CB 2.075 70.880 68.868 -0.104 0.000 0.993 242 T HN 2.292 nan 8.240 nan 0.000 0.535 243 G N 0.794 109.606 108.800 0.020 0.000 2.503 243 G HA2 -0.161 3.800 3.960 0.001 0.000 0.235 243 G HA3 -0.161 3.800 3.960 0.001 0.000 0.235 243 G C 0.229 175.190 174.900 0.102 0.000 1.179 243 G CA -0.038 45.139 45.100 0.129 0.000 0.944 243 G HN 1.504 nan 8.290 nan 0.000 0.580 244 S N 0.176 115.946 115.700 0.116 0.000 2.563 244 S HA 0.393 4.864 4.470 0.001 0.000 0.284 244 S C 1.948 176.603 174.600 0.092 0.000 1.331 244 S CA 1.118 59.386 58.200 0.113 0.000 1.047 244 S CB 0.796 64.068 63.200 0.119 0.000 0.859 244 S HN 2.177 nan 8.310 nan 0.000 0.514 245 S N 3.674 119.427 115.700 0.089 0.000 2.527 245 S HA -0.010 4.460 4.470 0.001 0.000 0.222 245 S C 0.687 175.334 174.600 0.077 0.000 0.985 245 S CA -0.218 58.035 58.200 0.088 0.000 0.921 245 S CB -0.466 62.776 63.200 0.070 0.000 0.772 245 S HN 0.888 nan 8.310 nan 0.000 0.529 246 R N 1.721 122.259 120.500 0.063 0.000 2.730 246 R HA -0.025 4.316 4.340 0.001 0.000 0.327 246 R C 0.842 177.164 176.300 0.036 0.000 0.825 246 R CA 0.446 56.564 56.100 0.031 0.000 1.130 246 R CB -0.026 30.290 30.300 0.027 0.000 0.883 246 R HN 0.355 nan 8.270 nan 0.000 0.407 247 K N 2.736 123.134 120.400 -0.003 0.000 2.280 247 K HA -0.170 4.151 4.320 0.001 0.000 0.202 247 K C 1.476 178.063 176.600 -0.022 0.000 1.047 247 K CA 1.565 57.841 56.287 -0.018 0.000 0.942 247 K CB 0.074 32.550 32.500 -0.041 0.000 0.739 247 K HN 0.837 nan 8.250 nan 0.000 0.457 248 S N 0.347 116.019 115.700 -0.047 0.000 2.400 248 S HA -0.173 4.298 4.470 0.001 0.000 0.232 248 S C 2.154 176.797 174.600 0.071 0.000 1.025 248 S CA 0.959 59.121 58.200 -0.063 0.000 0.993 248 S CB -0.424 62.624 63.200 -0.253 0.000 0.808 248 S HN 0.399 nan 8.310 nan 0.000 0.478 249 A N 1.908 124.793 122.820 0.108 0.000 1.883 249 A HA -0.096 4.224 4.320 0.001 0.000 0.217 249 A C 2.457 180.139 177.584 0.164 0.000 1.186 249 A CA 2.241 54.372 52.037 0.157 0.000 0.624 249 A CB -1.678 17.439 19.000 0.195 0.000 0.822 249 A HN 0.538 nan 8.150 nan 0.000 0.444 250 T N 0.364 114.985 114.554 0.112 0.000 2.777 250 T HA -0.114 4.237 4.350 0.001 0.000 0.266 250 T C 1.881 176.580 174.700 -0.002 0.000 1.040 250 T CA 1.335 63.422 62.100 -0.021 0.000 1.141 250 T CB -0.427 68.313 68.868 -0.215 0.000 0.868 250 T HN 0.506 nan 8.240 nan 0.000 0.444 251 N N 1.345 120.046 118.700 0.002 0.000 2.061 251 N HA -0.083 4.658 4.740 0.001 0.000 0.193 251 N C 2.149 177.692 175.510 0.056 0.000 1.030 251 N CA 1.336 54.392 53.050 0.009 0.000 0.856 251 N CB -0.634 37.832 38.487 -0.034 0.000 1.023 251 N HN 0.254 nan 8.380 nan 0.000 0.424 252 S N 0.229 115.977 115.700 0.081 0.000 2.368 252 S HA -0.091 4.380 4.470 0.001 0.000 0.225 252 S C 2.156 176.867 174.600 0.184 0.000 1.030 252 S CA 1.100 59.366 58.200 0.111 0.000 0.999 252 S CB -0.443 62.850 63.200 0.156 0.000 0.844 252 S HN 0.358 nan 8.310 nan 0.000 0.459 253 V N 1.973 121.989 119.914 0.170 0.000 2.427 253 V HA -0.030 4.090 4.120 0.001 0.000 0.248 253 V C 1.694 177.874 176.094 0.144 0.000 1.051 253 V CA 1.503 63.919 62.300 0.193 0.000 1.048 253 V CB -0.604 31.276 31.823 0.095 0.000 0.666 253 V HN 0.499 nan 8.190 nan 0.000 0.456 254 L N -0.863 120.410 121.223 0.084 0.000 2.217 254 L HA -0.092 4.249 4.340 0.001 0.000 0.211 254 L C 2.512 179.409 176.870 0.045 0.000 1.107 254 L CA 1.943 56.810 54.840 0.046 0.000 0.783 254 L CB -0.729 41.341 42.059 0.018 0.000 0.919 254 L HN 0.627 nan 8.230 nan 0.000 0.442 255 W N 0.882 122.086 121.300 -0.161 0.000 2.363 255 W HA -0.246 4.415 4.660 0.001 0.000 0.296 255 W C 1.878 178.206 176.519 -0.319 0.000 1.212 255 W CA 1.310 58.477 57.345 -0.298 0.000 1.260 255 W CB -0.096 29.077 29.460 -0.479 0.000 1.131 255 W HN 0.099 nan 8.180 nan 0.000 0.530 256 F N -0.259 119.652 119.950 -0.064 0.000 2.387 256 F HA 0.055 4.583 4.527 0.002 0.000 0.294 256 F C 2.339 178.034 175.800 -0.174 0.000 1.093 256 F CA 1.119 59.013 58.000 -0.177 0.000 1.420 256 F CB -0.671 38.269 39.000 -0.101 0.000 1.086 256 F HN -0.252 nan 8.300 nan 0.000 0.531 257 M N -1.065 118.570 119.600 0.058 0.000 2.313 257 M HA 0.312 4.793 4.480 0.001 0.000 0.273 257 M C 1.144 177.429 176.300 -0.024 0.000 1.049 257 M CA 0.071 55.379 55.300 0.014 0.000 1.004 257 M CB 0.185 32.814 32.600 0.049 0.000 1.461 257 M HN 0.041 nan 8.290 nan 0.000 0.514 258 G N 0.293 109.061 108.800 -0.054 0.000 2.606 258 G HA2 0.423 4.384 3.960 0.001 0.000 0.262 258 G HA3 0.423 4.384 3.960 0.001 0.000 0.262 258 G C -1.061 173.784 174.900 -0.092 0.000 1.394 258 G CA -0.439 44.626 45.100 -0.059 0.000 1.044 258 G HN 0.100 nan 8.290 nan 0.000 0.553 259 D N 0.058 120.414 120.400 -0.074 0.000 2.340 259 D HA 0.271 4.911 4.640 0.001 0.000 0.240 259 D C -0.597 175.659 176.300 -0.075 0.000 1.001 259 D CA -0.332 53.620 54.000 -0.081 0.000 0.888 259 D CB 1.766 42.533 40.800 -0.055 0.000 1.310 259 D HN 0.244 nan 8.370 nan 0.000 0.474 260 D N 0.781 121.128 120.400 -0.088 0.000 2.400 260 D HA 0.130 4.770 4.640 0.001 0.000 0.238 260 D C 0.200 176.477 176.300 -0.037 0.000 1.157 260 D CA 0.447 54.410 54.000 -0.061 0.000 0.889 260 D CB 1.296 42.052 40.800 -0.072 0.000 1.199 260 D HN 0.231 nan 8.370 nan 0.000 0.436 261 I N 2.431 122.993 120.570 -0.013 0.000 2.355 261 I HA 0.163 4.334 4.170 0.001 0.000 0.288 261 I C -2.247 173.842 176.117 -0.046 0.000 0.999 261 I CA -2.119 59.174 61.300 -0.012 0.000 1.163 261 I CB 1.732 39.745 38.000 0.023 0.000 1.316 261 I HN -0.061 nan 8.210 nan 0.000 0.454 262 P HA -0.027 nan 4.420 nan 0.000 0.261 262 P C -0.248 176.889 177.300 -0.271 0.000 1.183 262 P CA 0.647 63.550 63.100 -0.328 0.000 0.761 262 P CB 0.054 31.534 31.700 -0.368 0.000 0.785 263 H N -1.024 118.065 119.070 0.031 0.000 3.237 263 H HA -0.117 4.440 4.556 0.002 0.000 0.231 263 H C -0.375 174.977 175.328 0.040 0.000 1.148 263 H CA 0.406 56.473 56.048 0.032 0.000 1.155 263 H CB -2.203 27.576 29.762 0.029 0.000 1.210 263 H HN 0.190 nan 8.280 nan 0.000 0.317 264 V N 2.871 122.847 119.914 0.103 0.000 2.349 264 V HA 0.308 4.429 4.120 0.001 0.000 0.284 264 V C -1.924 174.221 176.094 0.085 0.000 1.014 264 V CA -1.340 61.014 62.300 0.091 0.000 0.826 264 V CB 2.136 34.005 31.823 0.078 0.000 1.009 264 V HN -0.051 nan 8.190 nan 0.000 0.431 265 P HA 0.349 nan 4.420 nan 0.000 0.280 265 P C 0.033 177.388 177.300 0.092 0.000 1.244 265 P CA -0.100 63.057 63.100 0.096 0.000 0.784 265 P CB 0.404 32.152 31.700 0.081 0.000 0.913 266 N N -0.689 118.098 118.700 0.145 0.000 2.741 266 N HA -0.207 4.534 4.740 0.001 0.000 0.250 266 N C -0.213 175.319 175.510 0.036 0.000 1.115 266 N CA 1.259 54.340 53.050 0.051 0.000 0.724 266 N CB -1.349 37.069 38.487 -0.114 0.000 1.090 266 N HN 0.585 nan 8.380 nan 0.000 0.558 267 K N 0.117 120.630 120.400 0.188 0.000 2.513 267 K HA 0.561 4.881 4.320 0.001 0.000 0.251 267 K C -0.816 175.902 176.600 0.197 0.000 0.939 267 K CA -0.612 55.766 56.287 0.152 0.000 0.793 267 K CB 1.900 34.439 32.500 0.064 0.000 1.241 267 K HN 0.016 nan 8.250 nan 0.000 0.431 268 R N 0.686 121.304 120.500 0.197 0.000 2.832 268 R HA 0.664 5.005 4.340 0.001 0.000 0.271 268 R C -0.539 175.787 176.300 0.043 0.000 0.996 268 R CA -0.292 55.869 56.100 0.102 0.000 0.977 268 R CB 1.968 32.314 30.300 0.076 0.000 1.168 268 R HN 0.772 nan 8.270 nan 0.000 0.482 269 G N -0.695 108.109 108.800 0.006 0.000 3.105 269 G HA2 0.602 4.563 3.960 0.001 0.000 0.277 269 G HA3 0.602 4.563 3.960 0.001 0.000 0.277 269 G C -0.333 174.551 174.900 -0.026 0.000 1.375 269 G CA -0.443 44.651 45.100 -0.010 0.000 0.962 269 G HN 0.838 nan 8.290 nan 0.000 0.541 270 G N -1.375 107.405 108.800 -0.033 0.000 2.539 270 G HA2 0.481 4.442 3.960 0.001 0.000 0.256 270 G HA3 0.481 4.442 3.960 0.001 0.000 0.256 270 G C 1.022 175.895 174.900 -0.046 0.000 1.233 270 G CA 0.975 46.052 45.100 -0.039 0.000 0.936 270 G HN 2.960 nan 8.290 nan 0.000 0.571 271 G N -2.720 106.057 108.800 -0.038 0.000 2.746 271 G HA2 0.506 4.467 3.960 0.001 0.000 0.685 271 G HA3 0.506 4.467 3.960 0.001 0.000 0.685 271 G C -0.521 174.357 174.900 -0.037 0.000 1.350 271 G CA 0.482 45.566 45.100 -0.027 0.000 0.837 271 G HN 2.590 nan 8.290 nan 0.000 0.564 272 L N -2.415 118.799 121.223 -0.016 0.000 2.409 272 L HA 0.912 5.253 4.340 0.001 0.000 0.262 272 L C -0.121 176.760 176.870 0.019 0.000 0.992 272 L CA -1.539 53.283 54.840 -0.030 0.000 0.817 272 L CB 1.466 43.495 42.059 -0.050 0.000 1.350 272 L HN 1.571 nan 8.230 nan 0.000 0.411 273 C N 3.954 123.255 119.300 0.002 0.000 2.397 273 C HA 0.831 5.292 4.460 0.001 0.000 0.325 273 C C -0.843 174.181 174.990 0.057 0.000 1.201 273 C CA -0.504 58.568 59.018 0.090 0.000 1.377 273 C CB 0.275 28.073 27.740 0.098 0.000 2.038 273 C HN 0.875 nan 8.230 nan 0.000 0.457 274 L N 6.057 127.333 121.223 0.088 0.000 2.341 274 L HA 0.841 5.182 4.340 0.001 0.000 0.278 274 L C 0.496 177.419 176.870 0.088 0.000 1.005 274 L CA -0.201 54.661 54.840 0.036 0.000 0.818 274 L CB 1.738 43.787 42.059 -0.017 0.000 1.259 274 L HN 0.871 nan 8.230 nan 0.000 0.418 275 G N 0.484 109.332 108.800 0.080 0.000 2.719 275 G HA2 0.450 4.411 3.960 0.001 0.000 0.298 275 G HA3 0.450 4.411 3.960 0.001 0.000 0.298 275 G C 0.471 175.412 174.900 0.069 0.000 1.411 275 G CA -0.039 45.115 45.100 0.090 0.000 0.991 275 G HN 0.685 nan 8.290 nan 0.000 0.509 276 G N -0.037 108.795 108.800 0.052 0.000 2.442 276 G HA2 0.034 3.995 3.960 0.001 0.000 0.219 276 G HA3 0.034 3.995 3.960 0.001 0.000 0.219 276 G C 0.702 175.634 174.900 0.053 0.000 1.141 276 G CA 1.046 46.173 45.100 0.045 0.000 0.763 276 G HN 0.654 nan 8.290 nan 0.000 0.554 277 K N -0.636 119.800 120.400 0.059 0.000 2.501 277 K HA 0.608 4.929 4.320 0.001 0.000 0.252 277 K C -1.638 175.015 176.600 0.089 0.000 0.934 277 K CA -0.680 55.646 56.287 0.065 0.000 0.797 277 K CB 1.791 34.320 32.500 0.048 0.000 1.270 277 K HN -0.011 nan 8.250 nan 0.000 0.431 278 I N 3.339 123.985 120.570 0.126 0.000 2.418 278 I HA 0.367 4.538 4.170 0.001 0.000 0.287 278 I C -0.001 176.227 176.117 0.186 0.000 1.008 278 I CA -0.976 60.440 61.300 0.193 0.000 1.104 278 I CB 1.917 40.120 38.000 0.338 0.000 1.264 278 I HN 0.739 nan 8.210 nan 0.000 0.438 279 A N 8.643 131.558 122.820 0.159 0.000 2.531 279 A HA 0.264 4.584 4.320 0.001 0.000 0.236 279 A C -1.565 176.145 177.584 0.210 0.000 1.062 279 A CA -0.745 51.379 52.037 0.145 0.000 0.760 279 A CB -0.250 18.811 19.000 0.100 0.000 0.995 279 A HN 0.577 nan 8.150 nan 0.000 0.501 280 P HA -0.159 nan 4.420 nan 0.000 0.216 280 P C 1.401 178.814 177.300 0.189 0.000 1.153 280 P CA 1.222 64.404 63.100 0.137 0.000 0.848 280 P CB -0.067 31.684 31.700 0.085 0.000 0.787 281 I N -1.934 118.739 120.570 0.170 0.000 2.179 281 I HA -0.228 3.943 4.170 0.001 0.000 0.242 281 I C 2.461 178.690 176.117 0.186 0.000 1.088 281 I CA 1.427 62.820 61.300 0.156 0.000 1.357 281 I CB -0.685 37.391 38.000 0.126 0.000 1.051 281 I HN -0.173 nan 8.210 nan 0.000 0.409 282 F N 0.904 120.899 119.950 0.074 0.000 2.171 282 F HA -0.274 4.254 4.527 0.001 0.000 0.300 282 F C 2.318 178.158 175.800 0.067 0.000 1.090 282 F CA 1.420 59.447 58.000 0.046 0.000 1.293 282 F CB -0.206 38.809 39.000 0.024 0.000 1.013 282 F HN -0.058 nan 8.300 nan 0.000 0.486 283 F N 1.193 121.192 119.950 0.082 0.000 2.102 283 F HA -0.290 4.238 4.527 0.001 0.000 0.298 283 F C 2.253 178.006 175.800 -0.078 0.000 1.105 283 F CA 1.982 59.982 58.000 0.000 0.000 1.239 283 F CB -0.605 38.423 39.000 0.047 0.000 0.991 283 F HN -0.104 nan 8.300 nan 0.000 0.474 284 N N -0.044 118.786 118.700 0.217 0.000 2.058 284 N HA -0.163 4.577 4.740 0.001 0.000 0.191 284 N C 1.834 177.293 175.510 -0.084 0.000 1.037 284 N CA 2.173 55.276 53.050 0.088 0.000 0.848 284 N CB -1.116 37.428 38.487 0.095 0.000 1.021 284 N HN 0.280 nan 8.380 nan 0.000 0.422 285 T N 2.142 116.623 114.554 -0.123 0.000 2.699 285 T HA -0.122 4.229 4.350 0.001 0.000 0.268 285 T C 1.963 176.490 174.700 -0.288 0.000 1.036 285 T CA 1.074 63.058 62.100 -0.192 0.000 1.147 285 T CB -0.093 68.641 68.868 -0.223 0.000 0.862 285 T HN 0.154 nan 8.240 nan 0.000 0.446 286 M N 1.341 120.679 119.600 -0.438 0.000 2.086 286 M HA -0.096 4.385 4.480 0.001 0.000 0.261 286 M C 2.518 178.624 176.300 -0.322 0.000 1.067 286 M CA 1.609 56.642 55.300 -0.444 0.000 1.116 286 M CB -1.083 31.182 32.600 -0.558 0.000 1.348 286 M HN 0.555 nan 8.290 nan 0.000 0.407 287 E N -0.434 119.565 120.200 -0.335 0.000 2.152 287 E HA -0.195 4.156 4.350 0.001 0.000 0.192 287 E C 1.052 177.563 176.600 -0.149 0.000 0.983 287 E CA 1.221 57.474 56.400 -0.245 0.000 0.818 287 E CB -0.288 29.270 29.700 -0.236 0.000 0.758 287 E HN 0.359 nan 8.360 nan 0.000 0.467 288 D N 0.927 121.244 120.400 -0.138 0.000 2.310 288 D HA -0.014 4.627 4.640 0.001 0.000 0.212 288 D C 1.435 177.680 176.300 -0.093 0.000 0.965 288 D CA 1.223 55.158 54.000 -0.107 0.000 0.879 288 D CB 0.243 40.986 40.800 -0.095 0.000 0.921 288 D HN 0.378 nan 8.370 nan 0.000 0.510 289 A N -0.779 121.974 122.820 -0.111 0.000 2.308 289 A HA 0.489 4.810 4.320 0.001 0.000 0.217 289 A C 1.674 179.215 177.584 -0.070 0.000 1.216 289 A CA 0.842 52.828 52.037 -0.086 0.000 0.864 289 A CB 0.295 19.230 19.000 -0.108 0.000 0.902 289 A HN 0.191 nan 8.150 nan 0.000 0.499 290 G N -1.904 106.850 108.800 -0.078 0.000 2.176 290 G HA2 0.129 4.090 3.960 0.001 0.000 0.232 290 G HA3 0.129 4.090 3.960 0.001 0.000 0.232 290 G C 0.450 175.305 174.900 -0.075 0.000 0.986 290 G CA 0.197 45.264 45.100 -0.054 0.000 0.643 290 G HN 1.489 nan 8.290 nan 0.000 0.522 291 A N -0.114 122.636 122.820 -0.117 0.000 2.271 291 A HA 0.793 5.114 4.320 0.001 0.000 0.288 291 A C 0.232 177.719 177.584 -0.161 0.000 1.094 291 A CA -0.254 51.706 52.037 -0.129 0.000 0.828 291 A CB 0.922 19.828 19.000 -0.155 0.000 1.091 291 A HN 1.020 nan 8.150 nan 0.000 0.493 292 L N 2.396 123.533 121.223 -0.145 0.000 2.301 292 L HA 0.408 4.749 4.340 0.001 0.000 0.278 292 L C -2.461 174.294 176.870 -0.193 0.000 1.022 292 L CA -2.088 52.656 54.840 -0.160 0.000 0.854 292 L CB 1.944 43.936 42.059 -0.111 0.000 1.226 292 L HN 0.429 nan 8.230 nan 0.000 0.429 293 P HA 0.461 nan 4.420 nan 0.000 0.296 293 P C -0.997 176.233 177.300 -0.115 0.000 1.306 293 P CA -0.307 62.618 63.100 -0.291 0.000 0.818 293 P CB 1.589 32.859 31.700 -0.717 0.000 0.969 294 I N 1.905 122.454 120.570 -0.036 0.000 2.512 294 I HA 0.261 4.431 4.170 0.001 0.000 0.287 294 I C 0.242 176.374 176.117 0.025 0.000 1.069 294 I CA -0.698 60.580 61.300 -0.037 0.000 1.056 294 I CB 2.287 40.070 38.000 -0.361 0.000 1.229 294 I HN 0.129 nan 8.210 nan 0.000 0.429 295 E N 5.330 125.602 120.200 0.119 0.000 2.257 295 E HA 0.434 4.785 4.350 0.001 0.000 0.278 295 E C -0.903 175.743 176.600 0.076 0.000 1.049 295 E CA -0.072 56.389 56.400 0.101 0.000 0.876 295 E CB 2.221 31.984 29.700 0.106 0.000 1.035 295 E HN 0.323 nan 8.360 nan 0.000 0.419 296 V N 3.014 122.963 119.914 0.057 0.000 3.204 296 V HA 0.120 4.241 4.120 0.001 0.000 0.298 296 V C -1.368 174.766 176.094 0.067 0.000 1.328 296 V CA -0.964 61.385 62.300 0.083 0.000 1.035 296 V CB 2.357 34.210 31.823 0.049 0.000 1.095 296 V HN 0.725 nan 8.190 nan 0.000 0.442 297 D N 2.201 122.648 120.400 0.078 0.000 2.417 297 D HA 0.171 4.812 4.640 0.001 0.000 0.250 297 D C 0.628 176.954 176.300 0.043 0.000 1.166 297 D CA 0.685 54.718 54.000 0.054 0.000 0.881 297 D CB 1.834 42.665 40.800 0.052 0.000 1.164 297 D HN 0.792 nan 8.370 nan 0.000 0.467 298 V N 1.167 121.096 119.914 0.026 0.000 3.380 298 V HA 0.049 4.170 4.120 0.001 0.000 0.307 298 V C 1.710 177.804 176.094 0.000 0.000 1.434 298 V CA 0.499 62.806 62.300 0.012 0.000 1.075 298 V CB -0.227 31.598 31.823 0.004 0.000 0.954 298 V HN 0.508 nan 8.190 nan 0.000 0.444 299 S N 1.225 116.928 115.700 0.005 0.000 2.419 299 S HA -0.144 4.327 4.470 0.001 0.000 0.233 299 S C 1.264 175.861 174.600 -0.006 0.000 1.016 299 S CA 1.908 60.106 58.200 -0.003 0.000 0.974 299 S CB -0.940 62.260 63.200 0.001 0.000 0.786 299 S HN 0.752 nan 8.310 nan 0.000 0.492 300 N N 0.738 119.440 118.700 0.003 0.000 2.276 300 N HA 0.347 5.088 4.740 0.001 0.000 0.212 300 N C -0.918 174.591 175.510 -0.002 0.000 1.127 300 N CA -0.057 52.994 53.050 0.002 0.000 0.834 300 N CB 0.232 38.726 38.487 0.012 0.000 1.014 300 N HN 0.356 nan 8.380 nan 0.000 0.491 301 L N 0.941 122.157 121.223 -0.011 0.000 2.298 301 L HA 0.445 4.785 4.340 0.001 0.000 0.284 301 L C -0.488 176.357 176.870 -0.043 0.000 1.013 301 L CA -0.669 54.159 54.840 -0.021 0.000 0.824 301 L CB 0.981 43.029 42.059 -0.018 0.000 1.221 301 L HN 0.138 nan 8.230 nan 0.000 0.418 302 N N 2.898 121.571 118.700 -0.045 0.000 2.362 302 N HA 0.392 5.133 4.740 0.001 0.000 0.299 302 N C -0.490 174.974 175.510 -0.077 0.000 1.170 302 N CA -0.936 52.075 53.050 -0.064 0.000 0.825 302 N CB 2.162 40.620 38.487 -0.050 0.000 1.299 302 N HN 0.422 nan 8.380 nan 0.000 0.502 303 M N 1.151 120.685 119.600 -0.110 0.000 2.338 303 M HA 0.102 4.582 4.480 0.001 0.000 0.360 303 M C 1.073 177.335 176.300 -0.063 0.000 1.547 303 M CA 0.948 56.173 55.300 -0.125 0.000 1.001 303 M CB -1.101 31.397 32.600 -0.171 0.000 2.008 303 M HN 0.881 nan 8.290 nan 0.000 0.464 304 G N 3.097 111.878 108.800 -0.032 0.000 2.213 304 G HA2 -0.205 3.756 3.960 0.001 0.000 0.236 304 G HA3 -0.205 3.756 3.960 0.001 0.000 0.236 304 G C -0.228 174.672 174.900 0.000 0.000 0.991 304 G CA 0.020 45.119 45.100 -0.002 0.000 0.629 304 G HN 0.695 nan 8.290 nan 0.000 0.517 305 D N 0.665 121.056 120.400 -0.015 0.000 2.455 305 D HA 0.409 5.050 4.640 0.001 0.000 0.241 305 D C 0.538 176.821 176.300 -0.028 0.000 1.138 305 D CA 0.251 54.242 54.000 -0.014 0.000 0.877 305 D CB 1.644 42.433 40.800 -0.017 0.000 1.187 305 D HN 0.196 nan 8.370 nan 0.000 0.451 306 V N 4.428 124.319 119.914 -0.039 0.000 2.350 306 V HA 0.359 4.479 4.120 0.001 0.000 0.276 306 V C 0.531 176.563 176.094 -0.102 0.000 1.028 306 V CA -0.582 61.641 62.300 -0.129 0.000 0.860 306 V CB 0.535 32.245 31.823 -0.189 0.000 0.990 306 V HN 0.362 nan 8.190 nan 0.000 0.453 307 I N 0.762 121.249 120.570 -0.138 0.000 2.957 307 I HA 0.765 4.936 4.170 0.001 0.000 0.310 307 I C -1.134 174.913 176.117 -0.116 0.000 1.063 307 I CA -0.861 60.403 61.300 -0.061 0.000 1.033 307 I CB 2.748 40.738 38.000 -0.017 0.000 1.230 307 I HN 0.294 nan 8.210 nan 0.000 0.447 308 D N 3.333 123.724 120.400 -0.015 0.000 2.278 308 D HA 0.496 5.137 4.640 0.001 0.000 0.245 308 D C -0.787 175.488 176.300 -0.042 0.000 1.052 308 D CA -0.171 53.778 54.000 -0.085 0.000 0.834 308 D CB 2.869 43.665 40.800 -0.007 0.000 1.194 308 D HN 0.292 nan 8.370 nan 0.000 0.481 309 V N 3.115 122.946 119.914 -0.139 0.000 2.384 309 V HA 0.233 4.354 4.120 0.001 0.000 0.287 309 V C -0.926 175.132 176.094 -0.061 0.000 1.020 309 V CA -0.720 61.596 62.300 0.027 0.000 0.850 309 V CB 0.920 32.755 31.823 0.020 0.000 0.987 309 V HN 0.393 nan 8.190 nan 0.000 0.436 310 Y N 6.366 126.800 120.300 0.224 0.000 2.717 310 Y HA 0.347 4.898 4.550 0.001 0.000 0.329 310 Y C -1.763 174.276 175.900 0.233 0.000 1.017 310 Y CA -2.408 55.807 58.100 0.192 0.000 1.275 310 Y CB 1.162 39.692 38.460 0.116 0.000 1.109 310 Y HN 0.505 nan 8.280 nan 0.000 0.511 311 P HA -0.176 nan 4.420 nan 0.000 0.217 311 P C 0.786 178.108 177.300 0.036 0.000 1.150 311 P CA 1.715 64.927 63.100 0.187 0.000 0.832 311 P CB 0.122 31.750 31.700 -0.120 0.000 0.787 312 Y N -0.402 119.983 120.300 0.142 0.000 2.420 312 Y HA 0.037 4.587 4.550 0.001 0.000 0.292 312 Y C 2.104 178.017 175.900 0.022 0.000 1.119 312 Y CA 0.960 59.107 58.100 0.079 0.000 1.229 312 Y CB -0.551 37.953 38.460 0.074 0.000 1.026 312 Y HN -0.081 nan 8.280 nan 0.000 0.554 313 K N -0.890 119.610 120.400 0.167 0.000 2.308 313 K HA 0.238 4.558 4.320 0.001 0.000 0.197 313 K C 1.132 177.625 176.600 -0.180 0.000 1.049 313 K CA 0.656 56.947 56.287 0.007 0.000 0.991 313 K CB 0.307 32.797 32.500 -0.016 0.000 0.836 313 K HN 0.264 nan 8.250 nan 0.000 0.500 314 G N 2.554 111.138 108.800 -0.359 0.000 2.248 314 G HA2 -0.234 3.727 3.960 0.001 0.000 0.263 314 G HA3 -0.234 3.727 3.960 0.001 0.000 0.263 314 G C -0.699 173.599 174.900 -1.004 0.000 1.082 314 G CA 0.010 44.416 45.100 -1.156 0.000 0.863 314 G HN 0.329 nan 8.290 nan 0.000 0.495 315 E N -1.277 118.709 120.200 -0.357 0.000 2.343 315 E HA 0.644 4.995 4.350 0.001 0.000 0.270 315 E C -0.619 176.203 176.600 0.370 0.000 0.895 315 E CA -1.110 55.292 56.400 0.004 0.000 0.767 315 E CB 2.941 32.611 29.700 -0.049 0.000 1.248 315 E HN 0.149 nan 8.360 nan 0.000 0.440 316 V N 2.239 122.344 119.914 0.319 0.000 2.495 316 V HA 0.512 4.632 4.120 0.001 0.000 0.298 316 V C -0.234 175.983 176.094 0.204 0.000 1.031 316 V CA -0.685 61.792 62.300 0.295 0.000 0.871 316 V CB 1.484 33.448 31.823 0.235 0.000 0.988 316 V HN 0.564 nan 8.190 nan 0.000 0.432 317 R N 2.402 123.032 120.500 0.217 0.000 2.795 317 R HA 0.410 4.750 4.340 0.001 0.000 0.275 317 R C -0.539 175.836 176.300 0.125 0.000 0.981 317 R CA -0.933 55.266 56.100 0.166 0.000 0.917 317 R CB 1.848 32.279 30.300 0.219 0.000 1.202 317 R HN 0.715 nan 8.270 nan 0.000 0.469 318 N N 1.289 120.039 118.700 0.084 0.000 2.483 318 N HA -0.085 4.655 4.740 0.001 0.000 0.264 318 N C 0.614 176.174 175.510 0.083 0.000 1.197 318 N CA 0.582 53.671 53.050 0.065 0.000 0.927 318 N CB 0.793 39.301 38.487 0.036 0.000 1.065 318 N HN 0.597 nan 8.380 nan 0.000 0.461 319 H N 3.514 122.563 119.070 -0.035 0.000 2.357 319 H HA 0.005 4.562 4.556 0.001 0.000 0.301 319 H C 1.151 176.462 175.328 -0.028 0.000 1.082 319 H CA 1.951 57.964 56.048 -0.057 0.000 1.342 319 H CB 0.487 30.152 29.762 -0.161 0.000 1.389 319 H HN 0.717 nan 8.280 nan 0.000 0.511 320 E N -0.909 119.262 120.200 -0.049 0.000 2.047 320 E HA -0.104 4.247 4.350 0.001 0.000 0.191 320 E C 1.762 178.315 176.600 -0.077 0.000 0.987 320 E CA 1.597 57.946 56.400 -0.084 0.000 0.799 320 E CB 0.102 29.796 29.700 -0.010 0.000 0.752 320 E HN 0.453 nan 8.360 nan 0.000 0.449 321 T N -1.513 113.019 114.554 -0.037 0.000 2.925 321 T HA 0.168 4.519 4.350 0.001 0.000 0.232 321 T C 1.357 176.042 174.700 -0.025 0.000 1.055 321 T CA 1.030 63.115 62.100 -0.025 0.000 1.419 321 T CB -0.039 68.825 68.868 -0.006 0.000 1.094 321 T HN 0.404 nan 8.240 nan 0.000 0.423 322 G N 0.570 109.369 108.800 -0.000 0.000 2.870 322 G HA2 -0.067 3.893 3.960 0.001 0.000 0.216 322 G HA3 -0.067 3.893 3.960 0.001 0.000 0.216 322 G C -0.291 174.620 174.900 0.019 0.000 0.973 322 G CA -0.553 44.556 45.100 0.015 0.000 0.807 322 G HN 0.438 nan 8.290 nan 0.000 0.573 323 E N 0.543 120.753 120.200 0.016 0.000 2.415 323 E HA 0.253 4.604 4.350 0.001 0.000 0.263 323 E C 0.375 176.991 176.600 0.027 0.000 0.995 323 E CA -0.287 56.122 56.400 0.014 0.000 0.915 323 E CB 1.495 31.202 29.700 0.012 0.000 0.951 323 E HN 0.363 nan 8.360 nan 0.000 0.449 324 L N 5.320 126.552 121.223 0.016 0.000 2.530 324 L HA -0.020 4.321 4.340 0.001 0.000 0.273 324 L C 0.507 177.398 176.870 0.035 0.000 1.141 324 L CA 0.079 54.933 54.840 0.024 0.000 0.905 324 L CB 0.210 42.269 42.059 -0.000 0.000 1.202 324 L HN 0.679 nan 8.230 nan 0.000 0.473 325 L N 5.764 127.022 121.223 0.057 0.000 2.298 325 L HA 0.409 4.750 4.340 0.001 0.000 0.209 325 L C 0.755 177.663 176.870 0.064 0.000 1.084 325 L CA 0.515 55.388 54.840 0.055 0.000 0.816 325 L CB -0.190 41.904 42.059 0.059 0.000 0.967 325 L HN 0.783 nan 8.230 nan 0.000 0.460 326 A N -0.734 122.140 122.820 0.091 0.000 2.586 326 A HA 0.603 4.923 4.320 0.001 0.000 0.291 326 A C -0.781 176.886 177.584 0.139 0.000 1.062 326 A CA -0.238 51.864 52.037 0.108 0.000 0.666 326 A CB 1.046 20.122 19.000 0.126 0.000 1.281 326 A HN 0.011 nan 8.150 nan 0.000 0.421 327 T N -1.064 113.564 114.554 0.124 0.000 2.907 327 T HA 0.904 5.254 4.350 0.001 0.000 0.292 327 T C -0.534 174.264 174.700 0.162 0.000 1.043 327 T CA -0.349 61.786 62.100 0.058 0.000 1.003 327 T CB 1.291 70.144 68.868 -0.026 0.000 1.084 327 T HN 1.841 nan 8.240 nan 0.000 0.483 328 F N -1.510 118.465 119.950 0.041 0.000 2.685 328 F HA 0.854 5.381 4.527 0.001 0.000 0.315 328 F C -1.014 174.810 175.800 0.041 0.000 1.126 328 F CA -1.242 56.784 58.000 0.043 0.000 0.950 328 F CB 1.634 40.666 39.000 0.053 0.000 1.360 328 F HN 0.795 nan 8.300 nan 0.000 0.469 329 E N 1.730 122.104 120.200 0.290 0.000 2.234 329 E HA 0.490 4.841 4.350 0.001 0.000 0.266 329 E C -1.528 175.250 176.600 0.298 0.000 0.877 329 E CA -0.854 55.651 56.400 0.175 0.000 0.758 329 E CB 1.908 31.661 29.700 0.090 0.000 1.170 329 E HN 0.790 nan 8.360 nan 0.000 0.415 330 L N 4.749 126.132 121.223 0.267 0.000 2.453 330 L HA 0.097 4.438 4.340 0.001 0.000 0.272 330 L C 1.835 178.799 176.870 0.156 0.000 1.182 330 L CA 0.162 55.141 54.840 0.233 0.000 0.858 330 L CB 0.503 42.668 42.059 0.176 0.000 1.120 330 L HN 0.718 nan 8.230 nan 0.000 0.474 331 K N 1.142 121.641 120.400 0.164 0.000 2.089 331 K HA -0.178 4.143 4.320 0.001 0.000 0.210 331 K C 0.689 177.332 176.600 0.071 0.000 1.048 331 K CA 1.624 57.958 56.287 0.078 0.000 0.926 331 K CB 0.165 32.679 32.500 0.025 0.000 0.714 331 K HN 0.710 nan 8.250 nan 0.000 0.448 332 T N -1.402 113.212 114.554 0.100 0.000 2.868 332 T HA 0.146 4.497 4.350 0.001 0.000 0.306 332 T C -0.697 174.042 174.700 0.064 0.000 1.224 332 T CA -0.872 61.270 62.100 0.070 0.000 1.012 332 T CB 1.701 70.605 68.868 0.061 0.000 1.221 332 T HN 0.010 nan 8.240 nan 0.000 0.499 333 D N 1.287 121.715 120.400 0.048 0.000 2.183 333 D HA -0.025 4.615 4.640 0.001 0.000 0.203 333 D C 2.250 178.573 176.300 0.039 0.000 0.969 333 D CA 0.925 54.953 54.000 0.046 0.000 0.842 333 D CB -0.112 40.719 40.800 0.050 0.000 0.957 333 D HN 0.334 nan 8.370 nan 0.000 0.484 334 V N 1.146 121.071 119.914 0.019 0.000 2.453 334 V HA -0.245 3.876 4.120 0.001 0.000 0.252 334 V C 2.572 178.676 176.094 0.015 0.000 1.068 334 V CA 0.984 63.281 62.300 -0.006 0.000 1.070 334 V CB -0.512 31.257 31.823 -0.091 0.000 0.664 334 V HN 0.286 nan 8.190 nan 0.000 0.461 335 L N -0.729 120.511 121.223 0.029 0.000 2.089 335 L HA -0.273 4.067 4.340 0.001 0.000 0.213 335 L C 2.324 179.206 176.870 0.020 0.000 1.079 335 L CA 1.837 56.693 54.840 0.028 0.000 0.758 335 L CB -0.350 41.737 42.059 0.048 0.000 0.891 335 L HN 0.330 nan 8.230 nan 0.000 0.433 336 I N -0.570 120.014 120.570 0.023 0.000 2.179 336 I HA -0.322 3.849 4.170 0.001 0.000 0.242 336 I C 1.984 178.169 176.117 0.115 0.000 1.088 336 I CA 1.334 62.647 61.300 0.022 0.000 1.357 336 I CB -0.419 37.581 38.000 0.001 0.000 1.051 336 I HN 0.267 nan 8.210 nan 0.000 0.409 337 D N 0.673 121.181 120.400 0.180 0.000 2.219 337 D HA -0.141 4.500 4.640 0.001 0.000 0.205 337 D C 2.080 178.552 176.300 0.286 0.000 0.970 337 D CA 0.976 55.182 54.000 0.344 0.000 0.851 337 D CB -0.100 40.859 40.800 0.265 0.000 0.943 337 D HN 0.454 nan 8.370 nan 0.000 0.488 338 E N 0.201 120.479 120.200 0.129 0.000 2.072 338 E HA -0.090 4.261 4.350 0.001 0.000 0.191 338 E C 2.262 178.911 176.600 0.083 0.000 0.985 338 E CA 0.528 56.976 56.400 0.079 0.000 0.801 338 E CB 0.147 29.852 29.700 0.008 0.000 0.750 338 E HN 0.079 nan 8.360 nan 0.000 0.452 339 V N 1.476 121.424 119.914 0.057 0.000 2.358 339 V HA -0.255 3.865 4.120 0.001 0.000 0.246 339 V C 2.465 178.591 176.094 0.054 0.000 1.047 339 V CA 2.086 64.403 62.300 0.029 0.000 1.035 339 V CB -0.456 31.364 31.823 -0.004 0.000 0.658 339 V HN 0.191 nan 8.190 nan 0.000 0.452 340 R N 1.086 121.637 120.500 0.084 0.000 2.092 340 R HA -0.051 4.290 4.340 0.001 0.000 0.231 340 R C 2.004 178.353 176.300 0.081 0.000 1.119 340 R CA 1.697 57.806 56.100 0.014 0.000 0.970 340 R CB -0.521 29.699 30.300 -0.133 0.000 0.864 340 R HN 0.409 nan 8.270 nan 0.000 0.440 341 A N -0.352 122.630 122.820 0.270 0.000 2.168 341 A HA 0.213 4.534 4.320 0.001 0.000 0.215 341 A C 1.526 179.258 177.584 0.248 0.000 1.152 341 A CA 0.757 53.039 52.037 0.408 0.000 0.716 341 A CB -0.471 18.850 19.000 0.534 0.000 0.794 341 A HN 0.678 nan 8.150 nan 0.000 0.465 342 G N -2.854 106.029 108.800 0.138 0.000 2.131 342 G HA2 0.346 4.307 3.960 0.001 0.000 0.223 342 G HA3 0.346 4.307 3.960 0.001 0.000 0.223 342 G C 0.941 175.869 174.900 0.047 0.000 0.990 342 G CA 0.291 45.440 45.100 0.081 0.000 0.671 342 G HN 2.401 nan 8.290 nan 0.000 0.521 343 G N -1.816 107.010 108.800 0.044 0.000 2.335 343 G HA2 0.409 4.370 3.960 0.001 0.000 0.592 343 G HA3 0.409 4.370 3.960 0.001 0.000 0.592 343 G C 0.169 175.061 174.900 -0.014 0.000 1.442 343 G CA 0.359 45.456 45.100 -0.005 0.000 0.976 343 G HN 0.882 nan 8.290 nan 0.000 0.652 344 R N 0.157 120.623 120.500 -0.057 0.000 2.120 344 R HA 0.018 4.359 4.340 0.001 0.000 0.234 344 R C 2.236 178.447 176.300 -0.149 0.000 1.123 344 R CA 1.893 57.942 56.100 -0.086 0.000 0.975 344 R CB -0.267 29.980 30.300 -0.088 0.000 0.866 344 R HN 0.624 nan 8.270 nan 0.000 0.446 345 I N 0.871 121.340 120.570 -0.168 0.000 2.163 345 I HA -0.149 4.021 4.170 0.001 0.000 0.240 345 I C -0.818 175.201 176.117 -0.164 0.000 1.081 345 I CA 0.860 62.006 61.300 -0.258 0.000 1.353 345 I CB -0.945 36.934 38.000 -0.201 0.000 1.054 345 I HN 0.163 nan 8.210 nan 0.000 0.407 346 P HA -0.189 nan 4.420 nan 0.000 0.216 346 P C 1.818 179.059 177.300 -0.098 0.000 1.150 346 P CA 1.201 64.256 63.100 -0.076 0.000 0.837 346 P CB -0.000 31.705 31.700 0.010 0.000 0.786 347 L N -0.733 120.480 121.223 -0.016 0.000 2.017 347 L HA -0.159 4.182 4.340 0.001 0.000 0.208 347 L C 2.064 178.836 176.870 -0.163 0.000 1.073 347 L CA 1.971 56.814 54.840 0.005 0.000 0.745 347 L CB -1.165 40.890 42.059 -0.008 0.000 0.894 347 L HN -0.157 nan 8.230 nan 0.000 0.432 348 I N -0.265 120.195 120.570 -0.185 0.000 2.226 348 I HA -0.300 3.871 4.170 0.001 0.000 0.245 348 I C 2.594 178.620 176.117 -0.152 0.000 1.100 348 I CA 1.621 62.817 61.300 -0.173 0.000 1.374 348 I CB -1.117 36.774 38.000 -0.182 0.000 1.057 348 I HN 0.319 nan 8.210 nan 0.000 0.413 349 I N 0.642 121.116 120.570 -0.159 0.000 2.233 349 I HA -0.146 4.025 4.170 0.001 0.000 0.243 349 I C 2.728 178.587 176.117 -0.430 0.000 1.093 349 I CA 1.450 62.625 61.300 -0.208 0.000 1.380 349 I CB -0.922 36.967 38.000 -0.184 0.000 1.067 349 I HN 0.199 nan 8.210 nan 0.000 0.413 350 G N 0.683 109.117 108.800 -0.610 0.000 2.418 350 G HA2 -0.265 3.696 3.960 0.001 0.000 0.217 350 G HA3 -0.265 3.696 3.960 0.001 0.000 0.217 350 G C 1.813 176.466 174.900 -0.412 0.000 1.158 350 G CA 0.501 44.947 45.100 -1.090 0.000 0.771 350 G HN 0.244 nan 8.290 nan 0.000 0.545 351 R N 0.569 120.912 120.500 -0.262 0.000 2.120 351 R HA -0.034 4.307 4.340 0.001 0.000 0.234 351 R C 2.678 178.823 176.300 -0.258 0.000 1.123 351 R CA 1.509 57.362 56.100 -0.412 0.000 0.975 351 R CB -0.676 29.166 30.300 -0.763 0.000 0.866 351 R HN 0.330 nan 8.270 nan 0.000 0.446 352 G N 1.236 109.883 108.800 -0.255 0.000 2.408 352 G HA2 -0.235 3.726 3.960 0.001 0.000 0.217 352 G HA3 -0.235 3.726 3.960 0.001 0.000 0.217 352 G C 1.307 176.037 174.900 -0.282 0.000 1.150 352 G CA 0.431 45.401 45.100 -0.218 0.000 0.776 352 G HN 0.306 nan 8.290 nan 0.000 0.542 353 L N 0.862 121.863 121.223 -0.371 0.000 2.027 353 L HA 0.058 4.399 4.340 0.001 0.000 0.206 353 L C 2.811 179.526 176.870 -0.257 0.000 1.074 353 L CA 2.442 56.988 54.840 -0.490 0.000 0.745 353 L CB -1.035 40.576 42.059 -0.747 0.000 0.898 353 L HN 0.139 nan 8.230 nan 0.000 0.433 354 T N -0.916 113.620 114.554 -0.030 0.000 2.788 354 T HA -0.169 4.182 4.350 0.001 0.000 0.268 354 T C 1.718 176.469 174.700 0.084 0.000 1.044 354 T CA 1.903 64.122 62.100 0.198 0.000 1.139 354 T CB -0.351 68.793 68.868 0.459 0.000 0.867 354 T HN 0.460 nan 8.240 nan 0.000 0.454 355 T N 1.668 116.206 114.554 -0.027 0.000 2.708 355 T HA -0.042 4.309 4.350 0.001 0.000 0.266 355 T C 2.039 176.684 174.700 -0.090 0.000 1.037 355 T CA 0.981 63.033 62.100 -0.080 0.000 1.146 355 T CB -0.121 68.674 68.868 -0.122 0.000 0.865 355 T HN 0.380 nan 8.240 nan 0.000 0.435 356 K N 0.878 121.157 120.400 -0.200 0.000 2.097 356 K HA 0.011 4.332 4.320 0.001 0.000 0.206 356 K C 2.613 179.180 176.600 -0.056 0.000 1.049 356 K CA 1.112 57.214 56.287 -0.309 0.000 0.933 356 K CB -0.248 31.730 32.500 -0.870 0.000 0.717 356 K HN 0.278 nan 8.250 nan 0.000 0.442 357 A N 1.614 124.504 122.820 0.115 0.000 1.902 357 A HA -0.170 4.151 4.320 0.001 0.000 0.217 357 A C 2.062 179.786 177.584 0.232 0.000 1.181 357 A CA 1.246 53.511 52.037 0.381 0.000 0.623 357 A CB -0.344 18.941 19.000 0.474 0.000 0.818 357 A HN 0.213 nan 8.150 nan 0.000 0.443 358 R N -0.548 120.037 120.500 0.142 0.000 2.075 358 R HA -0.109 4.232 4.340 0.001 0.000 0.232 358 R C 2.183 178.534 176.300 0.086 0.000 1.126 358 R CA 1.484 57.642 56.100 0.096 0.000 0.963 358 R CB -0.342 29.988 30.300 0.049 0.000 0.858 358 R HN 0.665 nan 8.270 nan 0.000 0.435 359 E N 0.428 120.671 120.200 0.071 0.000 2.085 359 E HA -0.182 4.168 4.350 0.001 0.000 0.194 359 E C 1.964 178.631 176.600 0.112 0.000 0.994 359 E CA 1.277 57.722 56.400 0.076 0.000 0.801 359 E CB -0.058 29.675 29.700 0.056 0.000 0.743 359 E HN 0.359 nan 8.360 nan 0.000 0.453 360 A N 0.608 123.527 122.820 0.165 0.000 2.014 360 A HA -0.061 4.260 4.320 0.001 0.000 0.218 360 A C 1.971 179.641 177.584 0.143 0.000 1.163 360 A CA 0.675 52.828 52.037 0.194 0.000 0.652 360 A CB -0.206 18.984 19.000 0.317 0.000 0.808 360 A HN 0.162 nan 8.150 nan 0.000 0.449 361 L N -1.198 120.104 121.223 0.131 0.000 2.591 361 L HA 0.134 4.475 4.340 0.001 0.000 0.228 361 L C 1.670 178.583 176.870 0.072 0.000 1.133 361 L CA 0.610 55.507 54.840 0.094 0.000 0.880 361 L CB -0.203 41.912 42.059 0.093 0.000 1.033 361 L HN 0.599 nan 8.230 nan 0.000 0.450 362 G N 0.465 109.310 108.800 0.075 0.000 2.148 362 G HA2 -0.278 3.683 3.960 0.001 0.000 0.254 362 G HA3 -0.278 3.683 3.960 0.001 0.000 0.254 362 G C 0.255 175.189 174.900 0.056 0.000 0.981 362 G CA -0.003 45.133 45.100 0.061 0.000 0.670 362 G HN 0.255 nan 8.290 nan 0.000 0.528 363 L N 0.652 121.911 121.223 0.060 0.000 2.421 363 L HA 0.497 4.838 4.340 0.001 0.000 0.263 363 L C -1.331 175.574 176.870 0.058 0.000 1.122 363 L CA -2.124 52.748 54.840 0.054 0.000 0.804 363 L CB 0.503 42.594 42.059 0.054 0.000 1.150 363 L HN -0.057 nan 8.230 nan 0.000 0.457 364 P HA 0.123 nan 4.420 nan 0.000 0.274 364 P C -0.831 176.530 177.300 0.101 0.000 1.256 364 P CA -0.500 62.650 63.100 0.084 0.000 0.795 364 P CB 0.308 32.054 31.700 0.076 0.000 1.038 365 H N -0.154 118.942 119.070 0.044 0.000 3.038 365 H HA 0.066 4.623 4.556 0.002 0.000 0.338 365 H C 0.576 175.934 175.328 0.049 0.000 1.041 365 H CA 0.866 56.944 56.048 0.051 0.000 1.394 365 H CB 0.315 30.104 29.762 0.046 0.000 1.357 365 H HN 0.211 nan 8.280 nan 0.000 0.600 366 S N 1.438 117.136 115.700 -0.003 0.000 2.576 366 S HA -0.020 4.451 4.470 0.001 0.000 0.276 366 S C 0.531 175.223 174.600 0.153 0.000 1.339 366 S CA -0.188 58.045 58.200 0.056 0.000 1.039 366 S CB 0.345 63.559 63.200 0.024 0.000 0.902 366 S HN 0.838 nan 8.310 nan 0.000 0.516 367 D N 2.810 123.239 120.400 0.048 0.000 2.469 367 D HA 0.085 4.726 4.640 0.001 0.000 0.215 367 D C 1.193 177.466 176.300 -0.045 0.000 1.154 367 D CA -0.095 53.929 54.000 0.040 0.000 0.832 367 D CB -0.342 40.474 40.800 0.027 0.000 1.008 367 D HN 0.312 nan 8.370 nan 0.000 0.506 368 V N -0.153 119.652 119.914 -0.182 0.000 2.548 368 V HA 0.055 4.176 4.120 0.001 0.000 0.249 368 V C 0.616 176.454 176.094 -0.428 0.000 1.055 368 V CA 1.013 63.083 62.300 -0.383 0.000 1.065 368 V CB -0.609 30.797 31.823 -0.696 0.000 0.681 368 V HN 0.078 nan 8.190 nan 0.000 0.462 369 F N -0.391 119.514 119.950 -0.076 0.000 2.425 369 F HA 0.534 5.061 4.527 0.001 0.000 0.331 369 F C 0.832 176.607 175.800 -0.043 0.000 1.085 369 F CA -0.963 56.957 58.000 -0.133 0.000 1.028 369 F CB 0.671 39.534 39.000 -0.229 0.000 1.177 369 F HN -0.204 nan 8.300 nan 0.000 0.487 370 R N 1.535 122.134 120.500 0.166 0.000 2.491 370 R HA 0.138 4.478 4.340 0.001 0.000 0.283 370 R C -0.257 176.078 176.300 0.058 0.000 1.072 370 R CA -0.343 55.816 56.100 0.097 0.000 1.048 370 R CB 0.634 30.987 30.300 0.087 0.000 0.983 370 R HN 0.643 nan 8.270 nan 0.000 0.450 371 Q N 1.367 121.193 119.800 0.043 0.000 2.205 371 Q HA 0.428 4.769 4.340 0.001 0.000 0.249 371 Q C -0.792 175.204 176.000 -0.006 0.000 0.948 371 Q CA -0.676 55.137 55.803 0.018 0.000 0.895 371 Q CB 1.559 30.311 28.738 0.025 0.000 1.249 371 Q HN 0.729 nan 8.270 nan 0.000 0.458 372 A N 2.839 125.647 122.820 -0.020 0.000 2.477 372 A HA 0.138 4.459 4.320 0.001 0.000 0.246 372 A C -0.306 177.296 177.584 0.031 0.000 1.078 372 A CA -0.176 51.864 52.037 0.004 0.000 0.770 372 A CB -0.051 18.987 19.000 0.063 0.000 1.011 372 A HN 0.762 nan 8.150 nan 0.000 0.494 373 K N 2.462 122.882 120.400 0.034 0.000 2.440 373 K HA 0.096 4.416 4.320 0.001 0.000 0.270 373 K C -1.055 175.567 176.600 0.036 0.000 0.980 373 K CA -0.026 56.280 56.287 0.032 0.000 0.953 373 K CB 0.386 32.905 32.500 0.032 0.000 0.925 373 K HN 0.543 nan 8.250 nan 0.000 0.497 374 D N 1.595 122.012 120.400 0.029 0.000 2.264 374 D HA 0.191 4.832 4.640 0.001 0.000 0.249 374 D C -0.495 175.823 176.300 0.028 0.000 1.070 374 D CA -0.507 53.511 54.000 0.029 0.000 0.912 374 D CB 1.658 42.471 40.800 0.021 0.000 1.193 374 D HN 0.271 nan 8.370 nan 0.000 0.427 375 V N 1.827 121.761 119.914 0.033 0.000 2.439 375 V HA 0.469 4.590 4.120 0.001 0.000 0.282 375 V C 0.862 176.971 176.094 0.024 0.000 1.039 375 V CA -0.738 61.581 62.300 0.031 0.000 0.913 375 V CB 1.275 33.124 31.823 0.045 0.000 0.983 375 V HN 0.715 nan 8.190 nan 0.000 0.460 376 A N 3.868 126.697 122.820 0.014 0.000 2.364 376 A HA 0.224 4.545 4.320 0.001 0.000 0.258 376 A C 0.498 178.084 177.584 0.003 0.000 1.131 376 A CA -0.340 51.701 52.037 0.007 0.000 0.800 376 A CB -0.176 18.824 19.000 -0.000 0.000 1.086 376 A HN 0.887 nan 8.150 nan 0.000 0.508 377 E N 0.517 120.716 120.200 -0.003 0.000 3.434 377 E HA -0.060 4.291 4.350 0.001 0.000 0.248 377 E C -0.321 176.267 176.600 -0.021 0.000 0.895 377 E CA 0.432 56.826 56.400 -0.009 0.000 0.953 377 E CB -0.163 29.529 29.700 -0.015 0.000 0.893 377 E HN 0.426 nan 8.360 nan 0.000 0.570 378 S N 3.716 119.409 115.700 -0.010 0.000 4.085 378 S HA -0.014 4.457 4.470 0.001 0.000 0.189 378 S C 0.288 174.845 174.600 -0.072 0.000 1.392 378 S CA -0.360 57.823 58.200 -0.029 0.000 0.972 378 S CB -0.055 63.169 63.200 0.039 0.000 1.482 378 S HN 0.397 nan 8.310 nan 0.000 0.446 379 D N 1.927 122.273 120.400 -0.090 0.000 2.146 379 D HA 0.048 4.689 4.640 0.001 0.000 0.209 379 D C 1.101 177.314 176.300 -0.144 0.000 0.973 379 D CA 0.767 54.713 54.000 -0.090 0.000 0.860 379 D CB 0.163 40.924 40.800 -0.065 0.000 1.015 379 D HN 0.371 nan 8.370 nan 0.000 0.465 380 R N 0.608 120.996 120.500 -0.187 0.000 2.707 380 R HA 0.432 4.773 4.340 0.001 0.000 0.270 380 R C 0.966 177.025 176.300 -0.403 0.000 1.083 380 R CA -0.212 55.751 56.100 -0.228 0.000 1.182 380 R CB 0.266 30.453 30.300 -0.190 0.000 1.084 380 R HN 0.016 nan 8.270 nan 0.000 0.528 381 G N 0.420 109.024 108.800 -0.328 0.000 2.570 381 G HA2 0.273 4.234 3.960 0.001 0.000 0.276 381 G HA3 0.273 4.234 3.960 0.001 0.000 0.276 381 G C -0.807 173.755 174.900 -0.563 0.000 1.346 381 G CA -0.499 44.373 45.100 -0.379 0.000 1.034 381 G HN 0.340 nan 8.290 nan 0.000 0.512 382 F N -0.796 119.136 119.950 -0.030 0.000 2.561 382 F HA 0.477 5.004 4.527 0.002 0.000 0.321 382 F C 0.932 176.708 175.800 -0.041 0.000 1.065 382 F CA -0.719 57.254 58.000 -0.045 0.000 0.934 382 F CB 2.322 41.312 39.000 -0.017 0.000 1.215 382 F HN 0.588 nan 8.300 nan 0.000 0.471 383 S N 1.451 117.233 115.700 0.137 0.000 2.655 383 S HA 0.235 4.706 4.470 0.001 0.000 0.265 383 S C 0.846 175.534 174.600 0.147 0.000 1.240 383 S CA -0.657 57.605 58.200 0.102 0.000 0.986 383 S CB 0.935 64.145 63.200 0.017 0.000 0.985 383 S HN 0.702 nan 8.310 nan 0.000 0.562 384 L N 1.394 122.709 121.223 0.152 0.000 1.989 384 L HA 0.028 4.369 4.340 0.001 0.000 0.211 384 L C 2.714 179.643 176.870 0.097 0.000 1.071 384 L CA 2.584 57.495 54.840 0.118 0.000 0.749 384 L CB -1.689 40.437 42.059 0.112 0.000 0.890 384 L HN 0.936 nan 8.230 nan 0.000 0.431 385 A N -1.160 121.725 122.820 0.108 0.000 1.917 385 A HA -0.316 4.005 4.320 0.001 0.000 0.219 385 A C 2.195 179.833 177.584 0.090 0.000 1.182 385 A CA 2.136 54.233 52.037 0.099 0.000 0.633 385 A CB -0.712 18.361 19.000 0.122 0.000 0.819 385 A HN 0.692 nan 8.150 nan 0.000 0.448 386 Q N -0.535 119.316 119.800 0.085 0.000 2.084 386 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 386 Q C 2.107 178.060 176.000 -0.080 0.000 0.978 386 Q CA 1.722 57.547 55.803 0.036 0.000 0.844 386 Q CB -0.162 28.661 28.738 0.142 0.000 0.898 386 Q HN 0.648 nan 8.270 nan 0.000 0.426 387 K N 0.043 120.425 120.400 -0.031 0.000 2.097 387 K HA -0.060 4.261 4.320 0.001 0.000 0.205 387 K C 2.079 178.657 176.600 -0.037 0.000 1.050 387 K CA 1.040 57.283 56.287 -0.074 0.000 0.938 387 K CB -0.044 32.465 32.500 0.016 0.000 0.718 387 K HN 0.234 nan 8.250 nan 0.000 0.442 388 M N 0.474 120.083 119.600 0.015 0.000 2.067 388 M HA -0.183 4.298 4.480 0.001 0.000 0.260 388 M C 2.265 178.584 176.300 0.031 0.000 1.069 388 M CA 1.504 56.825 55.300 0.035 0.000 1.117 388 M CB -0.309 32.325 32.600 0.056 0.000 1.334 388 M HN -0.071 nan 8.290 nan 0.000 0.407 389 V N 0.192 120.132 119.914 0.043 0.000 2.407 389 V HA -0.202 3.918 4.120 0.001 0.000 0.248 389 V C 2.541 178.612 176.094 -0.038 0.000 1.055 389 V CA 2.120 64.441 62.300 0.036 0.000 1.049 389 V CB -1.698 30.158 31.823 0.054 0.000 0.662 389 V HN 0.663 nan 8.190 nan 0.000 0.455 390 G N 0.283 109.025 108.800 -0.098 0.000 2.459 390 G HA2 -0.366 3.595 3.960 0.001 0.000 0.217 390 G HA3 -0.366 3.595 3.960 0.001 0.000 0.217 390 G C 1.630 176.475 174.900 -0.091 0.000 1.183 390 G CA 1.164 46.173 45.100 -0.152 0.000 0.776 390 G HN 0.478 nan 8.290 nan 0.000 0.552 391 R N 1.012 121.475 120.500 -0.062 0.000 2.105 391 R HA 0.035 4.375 4.340 0.001 0.000 0.239 391 R C 2.565 178.861 176.300 -0.008 0.000 1.135 391 R CA 1.853 57.939 56.100 -0.024 0.000 0.967 391 R CB -0.622 29.680 30.300 0.002 0.000 0.861 391 R HN 0.263 nan 8.270 nan 0.000 0.442 392 A N -0.904 121.916 122.820 -0.001 0.000 2.168 392 A HA -0.023 4.298 4.320 0.001 0.000 0.215 392 A C 1.625 179.205 177.584 -0.008 0.000 1.152 392 A CA 1.117 53.160 52.037 0.010 0.000 0.716 392 A CB -0.341 18.679 19.000 0.032 0.000 0.794 392 A HN 0.550 nan 8.150 nan 0.000 0.465 393 C N -1.634 117.650 119.300 -0.028 0.000 3.104 393 C HA 0.519 4.980 4.460 0.001 0.000 0.284 393 C C 1.837 176.810 174.990 -0.028 0.000 1.326 393 C CA -0.074 58.923 59.018 -0.036 0.000 1.725 393 C CB -0.760 26.943 27.740 -0.062 0.000 2.156 393 C HN 1.003 nan 8.230 nan 0.000 0.638 394 G N 1.307 110.094 108.800 -0.022 0.000 2.143 394 G HA2 -0.187 3.774 3.960 0.001 0.000 0.249 394 G HA3 -0.187 3.774 3.960 0.001 0.000 0.249 394 G C 0.104 174.990 174.900 -0.023 0.000 0.981 394 G CA 0.794 45.886 45.100 -0.014 0.000 0.665 394 G HN 1.008 nan 8.290 nan 0.000 0.528 395 V N -4.254 115.631 119.914 -0.048 0.000 3.182 395 V HA 0.789 4.909 4.120 0.001 0.000 0.311 395 V C 1.382 177.414 176.094 -0.104 0.000 1.221 395 V CA -0.001 62.261 62.300 -0.064 0.000 1.060 395 V CB 1.172 32.952 31.823 -0.071 0.000 1.164 395 V HN 0.003 nan 8.190 nan 0.000 0.466 396 K N 0.395 120.718 120.400 -0.128 0.000 2.167 396 K HA 0.442 4.763 4.320 0.001 0.000 0.203 396 K C 0.711 177.027 176.600 -0.473 0.000 1.052 396 K CA 1.200 57.385 56.287 -0.169 0.000 0.956 396 K CB 0.068 32.551 32.500 -0.028 0.000 0.735 396 K HN 1.040 nan 8.250 nan 0.000 0.451 397 G N 0.197 108.529 108.800 -0.780 0.000 2.601 397 G HA2 0.421 4.382 3.960 0.001 0.000 0.291 397 G HA3 0.421 4.382 3.960 0.001 0.000 0.291 397 G C -1.725 172.706 174.900 -0.781 0.000 1.456 397 G CA -0.748 43.575 45.100 -1.295 0.000 0.804 397 G HN -0.119 nan 8.290 nan 0.000 0.499 398 I N 1.017 121.326 120.570 -0.434 0.000 2.433 398 I HA 0.459 4.630 4.170 0.001 0.000 0.292 398 I C 0.229 176.380 176.117 0.057 0.000 1.001 398 I CA -0.750 60.475 61.300 -0.125 0.000 1.119 398 I CB 1.795 39.738 38.000 -0.096 0.000 1.289 398 I HN 0.462 nan 8.210 nan 0.000 0.438 399 R N 5.537 126.120 120.500 0.138 0.000 2.457 399 R HA 0.448 4.789 4.340 0.001 0.000 0.284 399 R C -2.460 173.882 176.300 0.070 0.000 1.024 399 R CA -1.775 54.421 56.100 0.160 0.000 1.025 399 R CB 0.219 30.612 30.300 0.154 0.000 1.063 399 R HN 0.246 nan 8.270 nan 0.000 0.493 400 P HA -0.027 nan 4.420 nan 0.000 0.264 400 P C 0.679 177.992 177.300 0.021 0.000 1.193 400 P CA 0.931 64.047 63.100 0.026 0.000 0.763 400 P CB 0.507 32.217 31.700 0.017 0.000 0.810 401 G N 1.548 110.356 108.800 0.013 0.000 2.213 401 G HA2 -0.125 3.836 3.960 0.001 0.000 0.226 401 G HA3 -0.125 3.836 3.960 0.001 0.000 0.226 401 G C 0.349 175.271 174.900 0.037 0.000 0.992 401 G CA -0.019 45.093 45.100 0.020 0.000 0.632 401 G HN 0.847 nan 8.290 nan 0.000 0.511 402 A N -0.237 122.605 122.820 0.035 0.000 2.316 402 A HA 0.687 5.008 4.320 0.001 0.000 0.284 402 A C -0.250 177.374 177.584 0.066 0.000 1.115 402 A CA -0.220 51.849 52.037 0.054 0.000 0.812 402 A CB 0.638 19.660 19.000 0.037 0.000 1.064 402 A HN 1.369 nan 8.150 nan 0.000 0.489 403 Y N 1.594 121.882 120.300 -0.021 0.000 2.299 403 Y HA 0.475 5.025 4.550 0.001 0.000 0.326 403 Y C 0.236 176.115 175.900 -0.035 0.000 1.164 403 Y CA -0.496 57.584 58.100 -0.033 0.000 1.234 403 Y CB 0.828 39.273 38.460 -0.025 0.000 1.219 403 Y HN 1.059 nan 8.280 nan 0.000 0.497 404 C N 2.465 121.246 119.300 -0.865 0.000 3.321 404 C HA 0.644 5.104 4.460 0.001 0.000 0.329 404 C C -1.383 173.172 174.990 -0.725 0.000 1.394 404 C CA -1.077 57.562 59.018 -0.631 0.000 1.291 404 C CB 1.762 29.328 27.740 -0.290 0.000 1.606 404 C HN 0.873 nan 8.230 nan 0.000 0.463 405 E N 1.654 121.630 120.200 -0.372 0.000 3.132 405 E HA 0.322 4.673 4.350 0.001 0.000 0.241 405 E C -2.646 173.895 176.600 -0.100 0.000 1.196 405 E CA -1.230 55.042 56.400 -0.214 0.000 0.869 405 E CB 1.271 30.912 29.700 -0.098 0.000 1.387 405 E HN 0.608 nan 8.360 nan 0.000 0.393 406 P HA -0.054 nan 4.420 nan 0.000 0.269 406 P C -0.364 176.940 177.300 0.007 0.000 1.209 406 P CA -0.155 62.927 63.100 -0.031 0.000 0.776 406 P CB 0.950 32.645 31.700 -0.008 0.000 0.876 407 K N 2.977 123.387 120.400 0.017 0.000 2.350 407 K HA 0.191 4.511 4.320 0.001 0.000 0.279 407 K C -0.081 176.545 176.600 0.045 0.000 1.027 407 K CA -0.286 56.015 56.287 0.024 0.000 0.969 407 K CB 0.194 32.705 32.500 0.020 0.000 0.954 407 K HN 0.352 nan 8.250 nan 0.000 0.474 408 M N 4.492 124.116 119.600 0.039 0.000 2.063 408 M HA 0.094 4.575 4.480 0.001 0.000 0.348 408 M C 0.488 176.819 176.300 0.053 0.000 1.180 408 M CA -0.065 55.270 55.300 0.058 0.000 1.059 408 M CB 0.984 33.608 32.600 0.041 0.000 1.544 408 M HN 0.746 nan 8.290 nan 0.000 0.447 409 T N 0.799 115.402 114.554 0.081 0.000 2.939 409 T HA 0.079 4.430 4.350 0.001 0.000 0.254 409 T C 0.536 175.266 174.700 0.050 0.000 1.041 409 T CA 0.844 62.978 62.100 0.057 0.000 1.142 409 T CB 0.374 69.275 68.868 0.056 0.000 0.874 409 T HN 0.593 nan 8.240 nan 0.000 0.452 410 S N 0.542 116.310 115.700 0.114 0.000 2.538 410 S HA 0.672 5.142 4.470 0.001 0.000 0.288 410 S C -1.126 173.591 174.600 0.195 0.000 1.108 410 S CA -0.696 57.564 58.200 0.100 0.000 0.971 410 S CB 2.532 65.720 63.200 -0.020 0.000 1.041 410 S HN 0.037 nan 8.310 nan 0.000 0.483 411 V N 2.032 122.000 119.914 0.091 0.000 2.577 411 V HA 0.749 4.870 4.120 0.001 0.000 0.303 411 V C 0.399 176.518 176.094 0.042 0.000 1.042 411 V CA -0.563 61.776 62.300 0.065 0.000 0.872 411 V CB 1.896 33.682 31.823 -0.060 0.000 0.998 411 V HN 0.967 nan 8.190 nan 0.000 0.423 412 G N 1.940 110.802 108.800 0.104 0.000 2.388 412 G HA2 0.634 4.595 3.960 0.001 0.000 0.330 412 G HA3 0.634 4.595 3.960 0.001 0.000 0.330 412 G C -0.742 174.171 174.900 0.022 0.000 1.142 412 G CA -0.438 44.711 45.100 0.081 0.000 0.908 412 G HN 0.716 nan 8.290 nan 0.000 0.473 413 S N 0.080 115.763 115.700 -0.028 0.000 2.541 413 S HA 0.633 5.104 4.470 0.001 0.000 0.280 413 S C -0.379 174.149 174.600 -0.119 0.000 1.112 413 S CA -0.662 57.500 58.200 -0.063 0.000 0.925 413 S CB 1.771 64.928 63.200 -0.072 0.000 1.067 413 S HN 0.852 nan 8.310 nan 0.000 0.479 414 Q N 1.908 121.624 119.800 -0.140 0.000 2.712 414 Q HA 0.542 4.883 4.340 0.001 0.000 0.267 414 Q C -0.119 175.727 176.000 -0.257 0.000 1.062 414 Q CA -0.659 55.027 55.803 -0.194 0.000 0.888 414 Q CB 0.234 28.899 28.738 -0.121 0.000 1.374 414 Q HN 0.506 nan 8.270 nan 0.000 0.498 415 D N -1.058 119.201 120.400 -0.236 0.000 2.350 415 D HA -0.043 4.598 4.640 0.001 0.000 0.213 415 D C 0.722 176.978 176.300 -0.073 0.000 1.031 415 D CA 0.952 54.854 54.000 -0.164 0.000 0.861 415 D CB -0.183 40.595 40.800 -0.036 0.000 0.926 415 D HN 0.664 nan 8.370 nan 0.000 0.520 416 T N -2.537 111.914 114.554 -0.172 0.000 3.015 416 T HA -0.011 4.340 4.350 0.001 0.000 0.250 416 T C 1.846 176.472 174.700 -0.125 0.000 1.057 416 T CA 0.992 63.022 62.100 -0.117 0.000 1.066 416 T CB -0.165 68.636 68.868 -0.111 0.000 0.959 416 T HN 0.218 nan 8.240 nan 0.000 0.488 417 T N -1.173 113.291 114.554 -0.151 0.000 3.037 417 T HA 0.319 4.670 4.350 0.001 0.000 0.252 417 T C 2.274 176.919 174.700 -0.092 0.000 1.073 417 T CA 0.604 62.640 62.100 -0.107 0.000 1.091 417 T CB -0.637 68.181 68.868 -0.083 0.000 0.935 417 T HN 0.325 nan 8.240 nan 0.000 0.488 418 G N 3.156 111.894 108.800 -0.105 0.000 2.599 418 G HA2 -0.189 3.771 3.960 0.001 0.000 0.219 418 G HA3 -0.189 3.771 3.960 0.001 0.000 0.219 418 G C -0.517 174.338 174.900 -0.076 0.000 1.193 418 G CA 1.137 46.184 45.100 -0.088 0.000 0.778 418 G HN 0.451 nan 8.290 nan 0.000 0.589 419 P HA -0.097 nan 4.420 nan 0.000 0.216 419 P C 2.170 179.405 177.300 -0.109 0.000 1.150 419 P CA 1.340 64.384 63.100 -0.093 0.000 0.843 419 P CB -0.110 31.553 31.700 -0.063 0.000 0.787 420 M N -1.903 117.639 119.600 -0.097 0.000 2.132 420 M HA -0.104 4.376 4.480 0.001 0.000 0.263 420 M C 1.928 178.193 176.300 -0.059 0.000 1.065 420 M CA 1.783 57.030 55.300 -0.088 0.000 1.122 420 M CB -1.239 31.305 32.600 -0.094 0.000 1.365 420 M HN -0.069 nan 8.290 nan 0.000 0.411 421 T N 0.014 114.541 114.554 -0.045 0.000 2.788 421 T HA -0.159 4.192 4.350 0.001 0.000 0.268 421 T C 1.789 176.501 174.700 0.019 0.000 1.044 421 T CA 1.227 63.327 62.100 0.001 0.000 1.139 421 T CB -0.332 68.540 68.868 0.007 0.000 0.867 421 T HN 0.377 nan 8.240 nan 0.000 0.454 422 R N 1.004 121.457 120.500 -0.078 0.000 2.083 422 R HA -0.153 4.188 4.340 0.001 0.000 0.237 422 R C 1.774 177.970 176.300 -0.174 0.000 1.137 422 R CA 1.976 57.912 56.100 -0.273 0.000 0.951 422 R CB -0.322 29.624 30.300 -0.589 0.000 0.851 422 R HN 0.262 nan 8.270 nan 0.000 0.434 423 D N 0.476 120.802 120.400 -0.124 0.000 2.117 423 D HA -0.141 4.500 4.640 0.001 0.000 0.197 423 D C 1.896 178.205 176.300 0.014 0.000 0.987 423 D CA 1.062 55.028 54.000 -0.057 0.000 0.829 423 D CB -0.192 40.571 40.800 -0.062 0.000 0.961 423 D HN 0.280 nan 8.370 nan 0.000 0.460 424 E N 0.295 120.510 120.200 0.025 0.000 2.153 424 E HA -0.093 4.258 4.350 0.001 0.000 0.194 424 E C 2.435 179.100 176.600 0.108 0.000 0.988 424 E CA 0.238 56.674 56.400 0.060 0.000 0.811 424 E CB -0.203 29.530 29.700 0.055 0.000 0.746 424 E HN 0.370 nan 8.360 nan 0.000 0.466 425 L N 0.696 122.008 121.223 0.148 0.000 2.093 425 L HA -0.144 4.197 4.340 0.001 0.000 0.208 425 L C 2.418 179.406 176.870 0.197 0.000 1.085 425 L CA 1.064 56.034 54.840 0.217 0.000 0.755 425 L CB -0.191 42.092 42.059 0.373 0.000 0.904 425 L HN 0.034 nan 8.230 nan 0.000 0.435 426 K N -0.263 120.250 120.400 0.189 0.000 2.097 426 K HA -0.146 4.174 4.320 0.001 0.000 0.205 426 K C 1.564 178.229 176.600 0.109 0.000 1.050 426 K CA 1.243 57.626 56.287 0.160 0.000 0.938 426 K CB -0.134 32.451 32.500 0.142 0.000 0.718 426 K HN 0.247 nan 8.250 nan 0.000 0.442 427 D N 1.067 121.525 120.400 0.096 0.000 2.178 427 D HA -0.095 4.546 4.640 0.001 0.000 0.202 427 D C 1.577 177.936 176.300 0.098 0.000 0.974 427 D CA 0.887 54.938 54.000 0.085 0.000 0.841 427 D CB -0.004 40.840 40.800 0.072 0.000 0.953 427 D HN 0.115 nan 8.370 nan 0.000 0.478 428 L N -0.008 121.286 121.223 0.119 0.000 2.599 428 L HA 0.176 4.517 4.340 0.001 0.000 0.230 428 L C 0.809 177.769 176.870 0.151 0.000 1.141 428 L CA 0.077 55.011 54.840 0.156 0.000 0.877 428 L CB -0.214 41.950 42.059 0.176 0.000 1.009 428 L HN -0.026 nan 8.230 nan 0.000 0.447 429 A N -0.788 122.085 122.820 0.088 0.000 2.869 429 A HA -0.280 4.041 4.320 0.001 0.000 0.280 429 A C 0.532 178.098 177.584 -0.031 0.000 1.458 429 A CA 0.677 52.727 52.037 0.022 0.000 0.776 429 A CB -2.505 16.530 19.000 0.059 0.000 1.028 429 A HN 0.494 nan 8.150 nan 0.000 0.547 430 C N 0.082 119.367 119.300 -0.026 0.000 2.499 430 C HA 0.606 5.066 4.460 0.001 0.000 0.386 430 C C 1.356 176.238 174.990 -0.181 0.000 1.293 430 C CA 0.055 59.008 59.018 -0.108 0.000 1.884 430 C CB -0.066 27.654 27.740 -0.034 0.000 2.509 430 C HN 0.651 nan 8.230 nan 0.000 0.566 431 L N 5.426 126.508 121.223 -0.235 0.000 2.858 431 L HA 0.470 4.810 4.340 0.001 0.000 0.251 431 L C 1.057 177.720 176.870 -0.346 0.000 1.149 431 L CA 0.639 55.319 54.840 -0.267 0.000 0.955 431 L CB -0.193 41.760 42.059 -0.176 0.000 1.289 431 L HN 0.996 nan 8.230 nan 0.000 0.542 432 G N -1.491 107.082 108.800 -0.379 0.000 2.702 432 G HA2 0.406 4.366 3.960 0.001 0.000 0.296 432 G HA3 0.406 4.366 3.960 0.001 0.000 0.296 432 G C -1.454 173.256 174.900 -0.317 0.000 1.463 432 G CA -0.498 44.359 45.100 -0.404 0.000 0.890 432 G HN -0.145 nan 8.290 nan 0.000 0.534 433 F N 0.832 120.706 119.950 -0.127 0.000 2.384 433 F HA 0.408 4.937 4.527 0.003 0.000 0.338 433 F C 1.507 177.239 175.800 -0.113 0.000 1.103 433 F CA -0.573 57.357 58.000 -0.116 0.000 1.157 433 F CB 2.291 41.242 39.000 -0.081 0.000 1.167 433 F HN 0.417 nan 8.300 nan 0.000 0.529 434 S N 1.275 117.024 115.700 0.081 0.000 2.497 434 S HA 0.199 4.669 4.470 0.001 0.000 0.221 434 S C 0.774 175.374 174.600 0.000 0.000 1.037 434 S CA -0.156 58.041 58.200 -0.005 0.000 0.920 434 S CB 0.186 63.340 63.200 -0.077 0.000 0.800 434 S HN 0.661 nan 8.310 nan 0.000 0.505 435 A N 1.656 124.472 122.820 -0.006 0.000 2.520 435 A HA 0.072 4.393 4.320 0.001 0.000 0.235 435 A C 0.958 178.543 177.584 0.003 0.000 1.065 435 A CA 0.041 52.066 52.037 -0.021 0.000 0.764 435 A CB -0.088 18.872 19.000 -0.067 0.000 1.002 435 A HN 0.264 nan 8.150 nan 0.000 0.502 436 D N -0.436 119.966 120.400 0.004 0.000 2.178 436 D HA -0.000 4.641 4.640 0.001 0.000 0.201 436 D C 0.289 176.594 176.300 0.008 0.000 0.980 436 D CA 1.541 55.547 54.000 0.010 0.000 0.842 436 D CB 0.022 40.829 40.800 0.011 0.000 0.948 436 D HN 0.419 nan 8.370 nan 0.000 0.472 437 L N 0.024 121.243 121.223 -0.006 0.000 2.562 437 L HA 0.407 4.748 4.340 0.001 0.000 0.266 437 L C -1.823 175.016 176.870 -0.051 0.000 0.949 437 L CA -0.622 54.210 54.840 -0.014 0.000 0.879 437 L CB 1.966 44.015 42.059 -0.017 0.000 1.278 437 L HN -0.356 nan 8.230 nan 0.000 0.404 438 V N 5.737 125.603 119.914 -0.080 0.000 2.448 438 V HA 0.553 4.673 4.120 0.001 0.000 0.295 438 V C -0.075 175.973 176.094 -0.076 0.000 1.025 438 V CA -0.336 61.852 62.300 -0.186 0.000 0.859 438 V CB 1.695 33.168 31.823 -0.583 0.000 0.988 438 V HN 0.806 nan 8.190 nan 0.000 0.431 439 M N 3.915 123.481 119.600 -0.058 0.000 2.535 439 M HA 0.669 5.150 4.480 0.001 0.000 0.314 439 M C -1.260 175.015 176.300 -0.042 0.000 1.153 439 M CA -0.713 54.574 55.300 -0.023 0.000 0.924 439 M CB 2.346 34.940 32.600 -0.011 0.000 1.710 439 M HN 0.774 nan 8.290 nan 0.000 0.451 440 Q N 2.223 121.997 119.800 -0.043 0.000 2.323 440 Q HA 0.572 4.912 4.340 0.001 0.000 0.271 440 Q C -1.529 174.349 176.000 -0.204 0.000 1.048 440 Q CA -0.486 55.245 55.803 -0.121 0.000 0.792 440 Q CB 2.069 30.771 28.738 -0.060 0.000 1.280 440 Q HN 0.748 nan 8.270 nan 0.000 0.441 441 S N 2.147 117.645 115.700 -0.337 0.000 2.726 441 S HA 0.781 5.252 4.470 0.001 0.000 0.308 441 S C -0.765 173.450 174.600 -0.643 0.000 1.115 441 S CA -0.592 57.422 58.200 -0.309 0.000 0.965 441 S CB 0.808 63.915 63.200 -0.156 0.000 1.145 441 S HN 0.484 nan 8.310 nan 0.000 0.532 442 F N 0.684 120.611 119.950 -0.037 0.000 2.646 442 F HA 0.326 4.853 4.527 0.001 0.000 0.336 442 F C 0.919 176.723 175.800 0.006 0.000 1.437 442 F CA -1.124 56.863 58.000 -0.023 0.000 1.142 442 F CB 0.653 39.562 39.000 -0.152 0.000 1.530 442 F HN 0.906 nan 8.300 nan 0.000 0.591 443 C N -2.969 116.428 119.300 0.163 0.000 2.820 443 C HA 0.177 4.638 4.460 0.001 0.000 0.323 443 C C 1.991 177.033 174.990 0.087 0.000 1.279 443 C CA 0.248 59.334 59.018 0.114 0.000 1.790 443 C CB -0.793 26.976 27.740 0.048 0.000 2.328 443 C HN 0.594 nan 8.230 nan 0.000 0.579 444 H N 0.575 119.700 119.070 0.092 0.000 2.551 444 H HA 0.146 4.703 4.556 0.001 0.000 0.266 444 H C 1.844 177.258 175.328 0.143 0.000 0.964 444 H CA 1.671 57.784 56.048 0.108 0.000 1.180 444 H CB 0.068 29.884 29.762 0.090 0.000 1.408 444 H HN 0.510 nan 8.280 nan 0.000 0.563 445 T N -1.340 113.391 114.554 0.295 0.000 3.144 445 T HA 0.397 4.747 4.350 0.001 0.000 0.290 445 T C 1.759 176.641 174.700 0.303 0.000 0.966 445 T CA 0.464 62.744 62.100 0.301 0.000 0.907 445 T CB -0.089 68.985 68.868 0.343 0.000 1.152 445 T HN 0.356 nan 8.240 nan 0.000 0.532 446 A N 0.534 123.471 122.820 0.196 0.000 1.970 446 A HA 0.479 4.800 4.320 0.001 0.000 0.216 446 A C 2.459 180.051 177.584 0.015 0.000 1.170 446 A CA 1.436 53.527 52.037 0.089 0.000 0.645 446 A CB -0.654 18.349 19.000 0.005 0.000 0.816 446 A HN 0.547 nan 8.150 nan 0.000 0.447 447 A N -1.438 121.347 122.820 -0.060 0.000 1.897 447 A HA 0.125 4.446 4.320 0.001 0.000 0.215 447 A C 0.739 177.930 177.584 -0.655 0.000 1.181 447 A CA 1.001 52.804 52.037 -0.390 0.000 0.620 447 A CB -0.335 18.392 19.000 -0.455 0.000 0.821 447 A HN 0.570 nan 8.150 nan 0.000 0.443 448 Y N -0.439 119.930 120.300 0.116 0.000 2.497 448 Y HA 0.331 4.882 4.550 0.001 0.000 0.333 448 Y C -2.780 173.167 175.900 0.077 0.000 1.046 448 Y CA -2.475 55.679 58.100 0.090 0.000 1.160 448 Y CB 0.534 39.046 38.460 0.086 0.000 1.123 448 Y HN 0.126 nan 8.280 nan 0.000 0.638 449 P HA 0.134 nan 4.420 nan 0.000 0.271 449 P C -0.264 177.054 177.300 0.030 0.000 1.216 449 P CA -0.264 62.891 63.100 0.093 0.000 0.771 449 P CB 1.057 32.800 31.700 0.072 0.000 0.864 450 K N 4.417 124.809 120.400 -0.014 0.000 2.107 450 K HA 0.174 4.495 4.320 0.001 0.000 0.251 450 K C -1.588 174.947 176.600 -0.108 0.000 1.012 450 K CA -1.530 54.711 56.287 -0.076 0.000 0.920 450 K CB -0.237 32.179 32.500 -0.139 0.000 1.033 450 K HN 0.216 nan 8.250 nan 0.000 0.478 451 P HA -0.224 nan 4.420 nan 0.000 0.216 451 P C 1.365 178.599 177.300 -0.111 0.000 1.150 451 P CA 0.791 63.831 63.100 -0.101 0.000 0.843 451 P CB 0.171 31.819 31.700 -0.087 0.000 0.787 452 V N 0.149 119.996 119.914 -0.111 0.000 2.427 452 V HA -0.219 3.901 4.120 0.001 0.000 0.248 452 V C 1.679 177.718 176.094 -0.091 0.000 1.051 452 V CA 2.199 64.463 62.300 -0.059 0.000 1.048 452 V CB -0.992 30.838 31.823 0.012 0.000 0.666 452 V HN 0.037 nan 8.190 nan 0.000 0.456 453 D N -0.200 120.115 120.400 -0.141 0.000 2.144 453 D HA -0.119 4.521 4.640 0.001 0.000 0.200 453 D C 2.199 178.100 176.300 -0.664 0.000 0.978 453 D CA 1.593 55.423 54.000 -0.283 0.000 0.833 453 D CB -0.276 40.401 40.800 -0.205 0.000 0.961 453 D HN 0.437 nan 8.370 nan 0.000 0.470 454 V N 1.887 121.495 119.914 -0.510 0.000 2.392 454 V HA -0.225 3.896 4.120 0.001 0.000 0.249 454 V C 2.295 178.114 176.094 -0.457 0.000 1.059 454 V CA 1.462 63.442 62.300 -0.533 0.000 1.051 454 V CB -0.567 31.097 31.823 -0.266 0.000 0.658 454 V HN 0.289 nan 8.190 nan 0.000 0.455 455 N N 0.033 118.599 118.700 -0.224 0.000 2.142 455 N HA -0.175 4.566 4.740 0.001 0.000 0.186 455 N C 1.811 177.292 175.510 -0.049 0.000 1.023 455 N CA 2.026 55.033 53.050 -0.072 0.000 0.852 455 N CB -0.014 38.462 38.487 -0.018 0.000 0.998 455 N HN 0.479 nan 8.380 nan 0.000 0.424 456 T N 0.156 114.666 114.554 -0.074 0.000 2.720 456 T HA -0.137 4.214 4.350 0.001 0.000 0.268 456 T C 1.400 176.177 174.700 0.129 0.000 1.037 456 T CA 1.373 63.505 62.100 0.053 0.000 1.144 456 T CB -0.591 68.332 68.868 0.091 0.000 0.864 456 T HN 0.505 nan 8.240 nan 0.000 0.444 457 H N -0.416 118.579 119.070 -0.124 0.000 2.421 457 H HA -0.069 4.488 4.556 0.001 0.000 0.298 457 H C 2.185 177.344 175.328 -0.281 0.000 1.087 457 H CA 0.970 56.790 56.048 -0.379 0.000 1.330 457 H CB 0.047 29.531 29.762 -0.464 0.000 1.388 457 H HN 0.373 nan 8.280 nan 0.000 0.526 458 H N -0.724 118.353 119.070 0.012 0.000 2.544 458 H HA 0.019 4.576 4.556 0.002 0.000 0.269 458 H C 2.137 177.472 175.328 0.011 0.000 0.970 458 H CA 1.525 57.564 56.048 -0.014 0.000 1.219 458 H CB 0.295 30.049 29.762 -0.013 0.000 1.421 458 H HN 0.516 nan 8.280 nan 0.000 0.555 459 T N -2.560 112.089 114.554 0.157 0.000 3.026 459 T HA 0.020 4.371 4.350 0.001 0.000 0.245 459 T C 1.980 176.791 174.700 0.185 0.000 1.004 459 T CA -0.058 62.127 62.100 0.142 0.000 1.069 459 T CB -0.464 68.468 68.868 0.107 0.000 1.005 459 T HN -0.006 nan 8.240 nan 0.000 0.472 460 L N 2.804 124.160 121.223 0.222 0.000 2.042 460 L HA 0.143 4.483 4.340 0.001 0.000 0.210 460 L C -0.933 176.157 176.870 0.367 0.000 1.076 460 L CA 1.795 56.819 54.840 0.307 0.000 0.749 460 L CB -1.208 41.086 42.059 0.391 0.000 0.893 460 L HN 0.140 nan 8.230 nan 0.000 0.432 461 P HA -0.139 nan 4.420 nan 0.000 0.216 461 P C 1.082 178.489 177.300 0.178 0.000 1.153 461 P CA 1.575 64.828 63.100 0.254 0.000 0.858 461 P CB -0.016 31.742 31.700 0.097 0.000 0.789 462 D N -1.733 118.755 120.400 0.146 0.000 2.117 462 D HA -0.120 4.521 4.640 0.001 0.000 0.198 462 D C 1.726 178.090 176.300 0.107 0.000 0.982 462 D CA 0.811 54.867 54.000 0.093 0.000 0.828 462 D CB -0.873 39.968 40.800 0.067 0.000 0.967 462 D HN 0.092 nan 8.370 nan 0.000 0.464 463 F N 1.270 121.249 119.950 0.049 0.000 2.161 463 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 463 F C 2.049 177.870 175.800 0.035 0.000 1.089 463 F CA 1.160 59.181 58.000 0.035 0.000 1.282 463 F CB 0.082 39.120 39.000 0.064 0.000 1.010 463 F HN -0.108 nan 8.300 nan 0.000 0.485 464 I N -0.289 120.429 120.570 0.247 0.000 2.339 464 I HA -0.222 3.948 4.170 0.001 0.000 0.245 464 I C 2.314 178.492 176.117 0.102 0.000 1.096 464 I CA 1.183 62.630 61.300 0.245 0.000 1.408 464 I CB -1.035 37.159 38.000 0.324 0.000 1.092 464 I HN 0.239 nan 8.210 nan 0.000 0.423 465 M N 0.297 119.938 119.600 0.069 0.000 2.229 465 M HA -0.188 4.293 4.480 0.001 0.000 0.264 465 M C 1.655 177.913 176.300 -0.070 0.000 1.063 465 M CA 1.614 56.925 55.300 0.018 0.000 1.114 465 M CB -0.688 31.925 32.600 0.021 0.000 1.387 465 M HN 0.287 nan 8.290 nan 0.000 0.420 466 N N -0.029 118.592 118.700 -0.133 0.000 2.520 466 N HA -0.091 4.650 4.740 0.001 0.000 0.185 466 N C 1.184 176.514 175.510 -0.299 0.000 1.068 466 N CA 0.494 53.427 53.050 -0.194 0.000 0.911 466 N CB 0.070 38.432 38.487 -0.209 0.000 0.961 466 N HN 0.308 nan 8.380 nan 0.000 0.446 467 R N -0.435 119.811 120.500 -0.422 0.000 2.362 467 R HA 0.153 4.494 4.340 0.001 0.000 0.227 467 R C 0.741 176.788 176.300 -0.422 0.000 0.905 467 R CA 0.263 55.952 56.100 -0.685 0.000 1.067 467 R CB 0.835 30.224 30.300 -1.518 0.000 1.078 467 R HN 0.157 nan 8.270 nan 0.000 0.516 468 G N 0.070 108.784 108.800 -0.143 0.000 2.144 468 G HA2 -0.209 3.752 3.960 0.001 0.000 0.218 468 G HA3 -0.209 3.752 3.960 0.001 0.000 0.218 468 G C 0.292 175.287 174.900 0.159 0.000 0.988 468 G CA -0.320 44.788 45.100 0.013 0.000 0.659 468 G HN 0.499 nan 8.290 nan 0.000 0.522 469 G N -1.135 107.817 108.800 0.254 0.000 2.502 469 G HA2 0.666 4.627 3.960 0.001 0.000 0.305 469 G HA3 0.666 4.627 3.960 0.001 0.000 0.305 469 G C -0.186 174.796 174.900 0.137 0.000 1.190 469 G CA -0.082 45.181 45.100 0.271 0.000 0.933 469 G HN 0.894 nan 8.290 nan 0.000 0.503 470 V N 0.194 120.165 119.914 0.095 0.000 2.427 470 V HA 0.557 4.678 4.120 0.001 0.000 0.286 470 V C 0.282 176.425 176.094 0.082 0.000 1.034 470 V CA -0.548 61.795 62.300 0.071 0.000 0.893 470 V CB 1.413 33.258 31.823 0.036 0.000 0.982 470 V HN 0.694 nan 8.190 nan 0.000 0.452 471 S N 5.178 120.945 115.700 0.112 0.000 2.478 471 S HA 0.720 5.191 4.470 0.001 0.000 0.312 471 S C -0.434 174.265 174.600 0.166 0.000 1.094 471 S CA -0.631 57.660 58.200 0.153 0.000 1.081 471 S CB 0.675 63.994 63.200 0.198 0.000 1.007 471 S HN 0.541 nan 8.310 nan 0.000 0.475 472 L N 3.642 124.936 121.223 0.118 0.000 2.642 472 L HA 0.625 4.965 4.340 0.001 0.000 0.229 472 L C 0.598 177.559 176.870 0.152 0.000 1.179 472 L CA -1.016 53.853 54.840 0.049 0.000 0.834 472 L CB 0.438 42.319 42.059 -0.296 0.000 1.515 472 L HN 0.565 nan 8.230 nan 0.000 0.512 473 R N -0.486 120.044 120.500 0.050 0.000 2.803 473 R HA 0.407 4.748 4.340 0.001 0.000 0.276 473 R C -2.566 173.699 176.300 -0.058 0.000 0.978 473 R CA -1.855 54.201 56.100 -0.074 0.000 0.939 473 R CB 1.404 31.637 30.300 -0.113 0.000 1.179 473 R HN 0.259 nan 8.270 nan 0.000 0.472 474 P HA 0.021 nan 4.420 nan 0.000 0.264 474 P C 0.468 177.723 177.300 -0.075 0.000 1.193 474 P CA 0.901 63.883 63.100 -0.197 0.000 0.763 474 P CB 0.675 32.087 31.700 -0.479 0.000 0.810 475 G N 3.071 111.872 108.800 0.003 0.000 2.232 475 G HA2 -0.232 3.729 3.960 0.001 0.000 0.226 475 G HA3 -0.232 3.729 3.960 0.001 0.000 0.226 475 G C 0.957 175.939 174.900 0.136 0.000 0.996 475 G CA 0.138 45.271 45.100 0.056 0.000 0.626 475 G HN 0.428 nan 8.290 nan 0.000 0.509 476 D N 1.054 121.534 120.400 0.132 0.000 2.183 476 D HA 0.388 5.029 4.640 0.001 0.000 0.203 476 D C 1.735 178.309 176.300 0.456 0.000 0.969 476 D CA 2.574 56.723 54.000 0.249 0.000 0.842 476 D CB -0.013 40.732 40.800 -0.092 0.000 0.957 476 D HN 1.665 nan 8.370 nan 0.000 0.484 477 G N -0.941 108.033 108.800 0.290 0.000 2.373 477 G HA2 -0.145 3.816 3.960 0.001 0.000 0.634 477 G HA3 -0.145 3.816 3.960 0.001 0.000 0.634 477 G C -0.745 174.327 174.900 0.287 0.000 1.267 477 G CA -0.475 44.825 45.100 0.334 0.000 1.008 477 G HN 0.061 nan 8.290 nan 0.000 0.497 478 V N 1.760 121.836 119.914 0.270 0.000 2.617 478 V HA 0.095 4.216 4.120 0.001 0.000 0.304 478 V C 2.351 178.568 176.094 0.205 0.000 1.040 478 V CA 0.918 63.328 62.300 0.183 0.000 1.149 478 V CB 0.873 32.800 31.823 0.174 0.000 0.914 478 V HN 0.904 nan 8.190 nan 0.000 0.487 479 I N 4.157 124.748 120.570 0.035 0.000 2.091 479 I HA -0.310 3.861 4.170 0.001 0.000 0.240 479 I C 2.301 178.396 176.117 -0.037 0.000 1.046 479 I CA 2.025 63.283 61.300 -0.069 0.000 1.306 479 I CB -0.151 37.698 38.000 -0.251 0.000 1.018 479 I HN 0.828 nan 8.210 nan 0.000 0.404 480 H N 0.423 119.598 119.070 0.176 0.000 2.423 480 H HA -0.048 4.509 4.556 0.001 0.000 0.297 480 H C 2.540 177.823 175.328 -0.074 0.000 1.075 480 H CA 1.465 57.534 56.048 0.034 0.000 1.342 480 H CB -0.486 29.288 29.762 0.020 0.000 1.395 480 H HN 0.418 nan 8.280 nan 0.000 0.530 481 S N 0.068 115.838 115.700 0.117 0.000 2.399 481 S HA -0.144 4.327 4.470 0.001 0.000 0.231 481 S C 1.760 176.342 174.600 -0.030 0.000 1.022 481 S CA 0.969 59.184 58.200 0.025 0.000 0.983 481 S CB -0.202 63.028 63.200 0.050 0.000 0.803 481 S HN 0.489 nan 8.310 nan 0.000 0.480 482 W N 0.870 122.162 121.300 -0.012 0.000 2.526 482 W HA 0.299 4.960 4.660 0.002 0.000 0.294 482 W C 2.024 178.504 176.519 -0.065 0.000 1.181 482 W CA -0.356 56.966 57.345 -0.038 0.000 1.373 482 W CB -0.806 28.633 29.460 -0.035 0.000 1.112 482 W HN 0.193 nan 8.180 nan 0.000 0.545 483 L N 1.382 122.723 121.223 0.197 0.000 2.042 483 L HA -0.204 4.136 4.340 0.001 0.000 0.210 483 L C 1.681 178.527 176.870 -0.040 0.000 1.076 483 L CA 2.003 56.889 54.840 0.078 0.000 0.749 483 L CB -1.078 41.055 42.059 0.123 0.000 0.893 483 L HN -0.084 nan 8.230 nan 0.000 0.432 484 N N 0.249 118.920 118.700 -0.049 0.000 2.289 484 N HA -0.147 4.594 4.740 0.001 0.000 0.184 484 N C 1.600 177.100 175.510 -0.018 0.000 1.016 484 N CA 1.104 54.101 53.050 -0.088 0.000 0.872 484 N CB -0.310 38.097 38.487 -0.133 0.000 0.973 484 N HN 0.466 nan 8.380 nan 0.000 0.433 485 R N -0.173 120.278 120.500 -0.081 0.000 2.319 485 R HA 0.233 4.573 4.340 0.001 0.000 0.204 485 R C 0.959 177.134 176.300 -0.208 0.000 0.954 485 R CA 0.276 56.214 56.100 -0.269 0.000 1.066 485 R CB 0.098 30.231 30.300 -0.277 0.000 0.991 485 R HN 0.257 nan 8.270 nan 0.000 0.486 486 M N 0.140 119.654 119.600 -0.143 0.000 2.306 486 M HA 0.200 4.680 4.480 0.001 0.000 0.292 486 M C -0.261 175.939 176.300 -0.168 0.000 1.018 486 M CA 0.001 55.227 55.300 -0.123 0.000 1.007 486 M CB 0.757 33.315 32.600 -0.071 0.000 1.510 486 M HN -0.026 nan 8.290 nan 0.000 0.537 487 L N 1.311 122.398 121.223 -0.226 0.000 2.418 487 L HA 0.432 4.772 4.340 0.001 0.000 0.265 487 L C -0.371 176.365 176.870 -0.223 0.000 1.143 487 L CA -0.508 54.155 54.840 -0.295 0.000 0.809 487 L CB 0.794 42.601 42.059 -0.419 0.000 1.124 487 L HN 0.136 nan 8.230 nan 0.000 0.456 488 L N 2.898 123.995 121.223 -0.210 0.000 2.295 488 L HA 0.435 4.776 4.340 0.001 0.000 0.285 488 L C -2.184 174.530 176.870 -0.261 0.000 1.035 488 L CA -1.998 52.712 54.840 -0.216 0.000 0.806 488 L CB 1.545 43.532 42.059 -0.120 0.000 1.214 488 L HN 0.289 nan 8.230 nan 0.000 0.426 489 P HA 0.028 nan 4.420 nan 0.000 0.267 489 P C -0.451 176.734 177.300 -0.191 0.000 1.200 489 P CA 0.239 63.096 63.100 -0.404 0.000 0.772 489 P CB 0.359 31.560 31.700 -0.831 0.000 0.855 490 D N -1.535 118.820 120.400 -0.075 0.000 3.076 490 D HA -0.126 4.515 4.640 0.001 0.000 0.218 490 D C 0.192 176.509 176.300 0.028 0.000 1.156 490 D CA 1.778 55.781 54.000 0.006 0.000 0.921 490 D CB -1.764 39.063 40.800 0.046 0.000 1.113 490 D HN 0.551 nan 8.370 nan 0.000 0.418 491 T N -3.756 110.814 114.554 0.028 0.000 2.937 491 T HA 0.751 5.102 4.350 0.001 0.000 0.283 491 T C 0.324 175.104 174.700 0.133 0.000 1.012 491 T CA -0.844 61.295 62.100 0.065 0.000 0.997 491 T CB 2.488 71.380 68.868 0.041 0.000 1.136 491 T HN -0.119 nan 8.240 nan 0.000 0.551 492 V N 0.071 120.073 119.914 0.147 0.000 2.715 492 V HA 0.882 5.003 4.120 0.001 0.000 0.310 492 V C 0.671 176.904 176.094 0.232 0.000 1.054 492 V CA -0.226 62.182 62.300 0.179 0.000 0.928 492 V CB 1.337 33.255 31.823 0.159 0.000 1.007 492 V HN 1.405 nan 8.190 nan 0.000 0.437 493 G N 1.086 110.007 108.800 0.201 0.000 2.706 493 G HA2 0.738 4.699 3.960 0.001 0.000 0.307 493 G HA3 0.738 4.699 3.960 0.001 0.000 0.307 493 G C -0.992 173.885 174.900 -0.039 0.000 1.307 493 G CA 0.180 45.404 45.100 0.207 0.000 0.790 493 G HN 0.854 nan 8.290 nan 0.000 0.503 494 T N -2.553 112.002 114.554 0.002 0.000 2.711 494 T HA 0.775 5.126 4.350 0.001 0.000 0.302 494 T C -0.887 173.834 174.700 0.034 0.000 1.373 494 T CA 0.545 62.624 62.100 -0.035 0.000 1.000 494 T CB 1.427 70.327 68.868 0.054 0.000 1.483 494 T HN 2.153 nan 8.240 nan 0.000 0.499 495 G N -0.858 107.967 108.800 0.042 0.000 2.616 495 G HA2 0.497 4.458 3.960 0.001 0.000 0.294 495 G HA3 0.497 4.458 3.960 0.001 0.000 0.294 495 G C -0.015 174.930 174.900 0.076 0.000 1.489 495 G CA 0.048 45.200 45.100 0.088 0.000 0.836 495 G HN 1.053 nan 8.290 nan 0.000 0.527 496 G N 0.145 108.980 108.800 0.058 0.000 3.455 496 G HA2 0.462 4.423 3.960 0.001 0.000 0.250 496 G HA3 0.462 4.423 3.960 0.001 0.000 0.250 496 G C -0.208 174.727 174.900 0.058 0.000 1.071 496 G CA 0.351 45.474 45.100 0.038 0.000 1.812 496 G HN 0.606 nan 8.290 nan 0.000 0.643 497 D N -0.214 120.255 120.400 0.116 0.000 2.795 497 D HA 0.008 4.649 4.640 0.001 0.000 0.206 497 D C 1.264 177.667 176.300 0.172 0.000 1.278 497 D CA -0.085 54.024 54.000 0.183 0.000 0.839 497 D CB 1.267 42.253 40.800 0.309 0.000 1.700 497 D HN 0.114 nan 8.370 nan 0.000 0.549 498 S N 2.267 118.035 115.700 0.114 0.000 2.469 498 S HA -0.160 4.310 4.470 0.001 0.000 0.238 498 S C 0.967 175.470 174.600 -0.162 0.000 0.998 498 S CA 1.009 59.189 58.200 -0.033 0.000 0.957 498 S CB -0.371 62.772 63.200 -0.095 0.000 0.764 498 S HN 0.582 nan 8.310 nan 0.000 0.514 499 H N 0.837 119.980 119.070 0.121 0.000 2.537 499 H HA 0.310 4.867 4.556 0.001 0.000 0.295 499 H C -0.268 174.870 175.328 -0.317 0.000 1.054 499 H CA 0.077 56.114 56.048 -0.018 0.000 1.156 499 H CB 0.118 29.932 29.762 0.086 0.000 1.468 499 H HN 0.256 nan 8.280 nan 0.000 0.551 500 T N 3.270 117.806 114.554 -0.031 0.000 2.987 500 T HA 0.162 4.512 4.350 0.001 0.000 0.288 500 T C 0.269 174.913 174.700 -0.093 0.000 0.981 500 T CA -0.415 61.682 62.100 -0.005 0.000 1.031 500 T CB -0.056 68.891 68.868 0.130 0.000 0.976 500 T HN 0.244 nan 8.240 nan 0.000 0.612 501 R N 3.121 123.650 120.500 0.049 0.000 2.547 501 R HA 0.214 4.555 4.340 0.001 0.000 0.280 501 R C -0.795 175.679 176.300 0.289 0.000 1.630 501 R CA -0.849 55.272 56.100 0.036 0.000 1.470 501 R CB -0.053 30.247 30.300 0.000 0.000 1.178 501 R HN 0.346 nan 8.270 nan 0.000 0.591 502 F N 3.130 123.110 119.950 0.049 0.000 2.604 502 F HA 0.029 4.557 4.527 0.001 0.000 0.393 502 F C -0.753 175.078 175.800 0.052 0.000 1.043 502 F CA -1.475 56.546 58.000 0.034 0.000 1.227 502 F CB -0.095 38.892 39.000 -0.021 0.000 1.016 502 F HN 0.203 nan 8.300 nan 0.000 0.556 503 P HA -0.009 nan 4.420 nan 0.000 0.225 503 P C 0.078 177.399 177.300 0.034 0.000 1.156 503 P CA 1.224 64.403 63.100 0.131 0.000 0.787 503 P CB 0.180 31.916 31.700 0.060 0.000 0.802 504 I N -4.903 115.682 120.570 0.025 0.000 2.545 504 I HA 0.775 4.945 4.170 0.001 0.000 0.292 504 I C 0.449 176.587 176.117 0.035 0.000 1.040 504 I CA -0.874 60.412 61.300 -0.024 0.000 1.068 504 I CB 1.935 39.867 38.000 -0.113 0.000 1.251 504 I HN 0.102 nan 8.210 nan 0.000 0.424 505 G N 4.803 113.624 108.800 0.034 0.000 2.553 505 G HA2 -0.190 3.771 3.960 0.001 0.000 0.242 505 G HA3 -0.190 3.771 3.960 0.001 0.000 0.242 505 G C -1.008 173.958 174.900 0.110 0.000 1.277 505 G CA 0.115 45.265 45.100 0.083 0.000 0.910 505 G HN 1.077 nan 8.290 nan 0.000 0.576 506 I N 0.291 120.931 120.570 0.118 0.000 2.722 506 I HA 0.598 4.768 4.170 0.001 0.000 0.292 506 I C -0.092 175.811 176.117 -0.357 0.000 1.267 506 I CA -0.116 61.113 61.300 -0.119 0.000 1.036 506 I CB 2.054 39.934 38.000 -0.199 0.000 1.281 506 I HN 1.370 nan 8.210 nan 0.000 0.423 507 S N 5.144 120.402 115.700 -0.737 0.000 2.568 507 S HA 0.708 5.179 4.470 0.001 0.000 0.293 507 S C -1.160 172.932 174.600 -0.846 0.000 1.089 507 S CA -0.582 57.055 58.200 -0.938 0.000 0.945 507 S CB 1.722 63.950 63.200 -1.620 0.000 1.077 507 S HN 0.395 nan 8.310 nan 0.000 0.485 508 F N 1.367 121.176 119.950 -0.235 0.000 2.532 508 F HA 0.471 4.998 4.527 0.001 0.000 0.365 508 F C -2.599 173.140 175.800 -0.103 0.000 1.112 508 F CA -2.041 55.884 58.000 -0.126 0.000 1.082 508 F CB 1.402 40.357 39.000 -0.075 0.000 1.319 508 F HN 0.334 nan 8.300 nan 0.000 0.457 509 P HA 0.340 nan 4.420 nan 0.000 0.268 509 P C -0.607 176.736 177.300 0.071 0.000 1.208 509 P CA 0.035 63.153 63.100 0.029 0.000 0.777 509 P CB 0.985 32.689 31.700 0.007 0.000 0.875 510 A N 1.437 124.294 122.820 0.062 0.000 2.602 510 A HA 0.733 5.053 4.320 0.001 0.000 0.290 510 A C -0.082 177.529 177.584 0.046 0.000 1.114 510 A CA -0.281 51.792 52.037 0.059 0.000 0.683 510 A CB 0.832 19.868 19.000 0.060 0.000 1.281 510 A HN 0.561 nan 8.150 nan 0.000 0.416 511 G N -0.415 108.404 108.800 0.031 0.000 2.616 511 G HA2 0.435 4.395 3.960 0.001 0.000 0.268 511 G HA3 0.435 4.395 3.960 0.001 0.000 0.268 511 G C 0.920 175.828 174.900 0.014 0.000 1.213 511 G CA 0.566 45.675 45.100 0.015 0.000 0.926 511 G HN 0.835 nan 8.290 nan 0.000 0.523 512 S N 0.150 115.851 115.700 0.002 0.000 2.383 512 S HA -0.144 4.326 4.470 0.001 0.000 0.229 512 S C 2.599 177.216 174.600 0.028 0.000 1.030 512 S CA 1.606 59.810 58.200 0.007 0.000 1.002 512 S CB -0.581 62.611 63.200 -0.015 0.000 0.829 512 S HN 0.840 nan 8.310 nan 0.000 0.467 513 G N 1.594 110.405 108.800 0.019 0.000 2.491 513 G HA2 -0.210 3.751 3.960 0.001 0.000 0.218 513 G HA3 -0.210 3.751 3.960 0.001 0.000 0.218 513 G C 1.371 176.318 174.900 0.078 0.000 1.180 513 G CA 1.063 46.186 45.100 0.038 0.000 0.774 513 G HN 0.428 nan 8.290 nan 0.000 0.562 514 L N 0.642 121.900 121.223 0.058 0.000 2.056 514 L HA 0.070 4.410 4.340 0.001 0.000 0.207 514 L C 2.986 179.941 176.870 0.141 0.000 1.078 514 L CA 1.162 56.059 54.840 0.095 0.000 0.749 514 L CB -0.449 41.639 42.059 0.048 0.000 0.901 514 L HN 0.091 nan 8.230 nan 0.000 0.433 515 V N -0.003 119.963 119.914 0.086 0.000 2.392 515 V HA -0.316 3.805 4.120 0.001 0.000 0.249 515 V C 2.768 178.899 176.094 0.062 0.000 1.059 515 V CA 1.599 63.936 62.300 0.062 0.000 1.051 515 V CB -1.368 30.474 31.823 0.031 0.000 0.658 515 V HN 0.589 nan 8.190 nan 0.000 0.455 516 A N -0.336 122.540 122.820 0.095 0.000 1.858 516 A HA -0.251 4.070 4.320 0.001 0.000 0.216 516 A C 2.128 179.793 177.584 0.134 0.000 1.190 516 A CA 2.084 54.193 52.037 0.119 0.000 0.617 516 A CB -0.776 18.305 19.000 0.137 0.000 0.827 516 A HN 0.529 nan 8.150 nan 0.000 0.443 517 F N 1.035 121.007 119.950 0.038 0.000 2.095 517 F HA -0.149 4.378 4.527 0.001 0.000 0.298 517 F C 2.528 178.341 175.800 0.021 0.000 1.104 517 F CA 1.582 59.605 58.000 0.038 0.000 1.232 517 F CB -0.395 38.625 39.000 0.034 0.000 0.987 517 F HN 0.255 nan 8.300 nan 0.000 0.475 518 A N 0.360 123.256 122.820 0.127 0.000 1.908 518 A HA -0.100 4.221 4.320 0.001 0.000 0.218 518 A C 2.377 179.900 177.584 -0.101 0.000 1.181 518 A CA 1.918 53.964 52.037 0.015 0.000 0.627 518 A CB -1.589 17.466 19.000 0.091 0.000 0.818 518 A HN 0.542 nan 8.150 nan 0.000 0.445 519 A N -0.423 122.336 122.820 -0.101 0.000 1.930 519 A HA 0.252 4.573 4.320 0.001 0.000 0.217 519 A C 2.469 180.030 177.584 -0.038 0.000 1.175 519 A CA 1.858 53.780 52.037 -0.191 0.000 0.627 519 A CB -0.867 17.877 19.000 -0.426 0.000 0.815 519 A HN 0.979 nan 8.150 nan 0.000 0.443 520 A N -0.446 122.351 122.820 -0.037 0.000 1.873 520 A HA -0.044 4.276 4.320 0.001 0.000 0.215 520 A C 2.365 179.792 177.584 -0.261 0.000 1.186 520 A CA 2.391 54.375 52.037 -0.089 0.000 0.616 520 A CB -0.976 17.937 19.000 -0.144 0.000 0.823 520 A HN 0.749 nan 8.150 nan 0.000 0.442 521 T N -5.345 108.956 114.554 -0.422 0.000 3.014 521 T HA 0.414 4.765 4.350 0.001 0.000 0.250 521 T C 1.380 175.935 174.700 -0.241 0.000 1.060 521 T CA 1.131 62.981 62.100 -0.417 0.000 1.040 521 T CB 0.277 68.737 68.868 -0.681 0.000 0.971 521 T HN 1.739 nan 8.240 nan 0.000 0.497 522 G N 0.413 109.103 108.800 -0.184 0.000 2.143 522 G HA2 -0.155 3.806 3.960 0.001 0.000 0.249 522 G HA3 -0.155 3.806 3.960 0.001 0.000 0.249 522 G C -0.028 174.841 174.900 -0.051 0.000 0.981 522 G CA 0.108 45.156 45.100 -0.087 0.000 0.665 522 G HN 0.823 nan 8.290 nan 0.000 0.528 523 V N 0.583 120.461 119.914 -0.059 0.000 3.114 523 V HA 0.888 5.009 4.120 0.001 0.000 0.308 523 V C -0.319 175.873 176.094 0.163 0.000 1.168 523 V CA -0.389 61.933 62.300 0.037 0.000 1.015 523 V CB 2.288 34.138 31.823 0.045 0.000 1.050 523 V HN 0.551 nan 8.190 nan 0.000 0.433 524 M N 5.146 124.838 119.600 0.154 0.000 2.324 524 M HA 0.602 5.083 4.480 0.001 0.000 0.288 524 M C -3.018 173.299 176.300 0.028 0.000 1.097 524 M CA -1.723 53.680 55.300 0.172 0.000 0.928 524 M CB 2.839 35.502 32.600 0.104 0.000 1.648 524 M HN 0.371 nan 8.290 nan 0.000 0.460 525 P HA 0.358 nan 4.420 nan 0.000 0.271 525 P C -1.586 175.622 177.300 -0.154 0.000 1.216 525 P CA -0.320 62.735 63.100 -0.075 0.000 0.776 525 P CB 0.691 32.406 31.700 0.024 0.000 0.881 526 L N 2.656 123.696 121.223 -0.304 0.000 2.614 526 L HA 0.371 4.712 4.340 0.001 0.000 0.264 526 L C -1.455 175.284 176.870 -0.220 0.000 0.940 526 L CA -0.201 54.466 54.840 -0.288 0.000 0.903 526 L CB 1.804 43.605 42.059 -0.429 0.000 1.306 526 L HN 0.155 nan 8.230 nan 0.000 0.410 527 D N 5.569 125.923 120.400 -0.077 0.000 2.365 527 D HA 0.197 4.838 4.640 0.001 0.000 0.237 527 D C 0.129 176.372 176.300 -0.096 0.000 1.190 527 D CA -0.212 53.781 54.000 -0.011 0.000 0.867 527 D CB 1.383 42.205 40.800 0.036 0.000 1.050 527 D HN 0.544 nan 8.370 nan 0.000 0.491 528 M N 4.863 124.404 119.600 -0.099 0.000 2.390 528 M HA 0.082 4.562 4.480 0.001 0.000 0.353 528 M C -2.462 173.814 176.300 -0.040 0.000 1.623 528 M CA -0.628 54.617 55.300 -0.093 0.000 1.065 528 M CB 0.424 32.991 32.600 -0.055 0.000 2.025 528 M HN 0.049 nan 8.290 nan 0.000 0.461 529 P HA 0.219 nan 4.420 nan 0.000 0.276 529 P C -0.959 176.365 177.300 0.041 0.000 1.252 529 P CA -0.453 62.654 63.100 0.012 0.000 0.802 529 P CB 0.513 32.242 31.700 0.047 0.000 1.035 530 E N -0.448 119.776 120.200 0.039 0.000 2.376 530 E HA 0.368 4.719 4.350 0.001 0.000 0.254 530 E C -0.252 176.401 176.600 0.088 0.000 1.213 530 E CA -0.255 56.173 56.400 0.048 0.000 0.945 530 E CB 0.340 30.060 29.700 0.033 0.000 1.057 530 E HN 0.313 nan 8.360 nan 0.000 0.479 531 S N 0.107 115.873 115.700 0.110 0.000 2.566 531 S HA 0.465 4.936 4.470 0.001 0.000 0.298 531 S C -0.986 173.768 174.600 0.257 0.000 1.083 531 S CA -0.780 57.539 58.200 0.200 0.000 0.978 531 S CB 1.698 65.052 63.200 0.257 0.000 1.073 531 S HN 0.216 nan 8.310 nan 0.000 0.491 532 V N 3.056 123.109 119.914 0.231 0.000 2.487 532 V HA 0.462 4.582 4.120 0.001 0.000 0.298 532 V C -0.503 175.637 176.094 0.076 0.000 1.028 532 V CA -0.667 61.725 62.300 0.153 0.000 0.860 532 V CB 1.626 33.530 31.823 0.136 0.000 0.991 532 V HN 0.732 nan 8.190 nan 0.000 0.427 533 L N 5.477 126.615 121.223 -0.141 0.000 2.289 533 L HA 0.677 5.018 4.340 0.001 0.000 0.285 533 L C -0.998 175.746 176.870 -0.210 0.000 1.049 533 L CA -0.389 54.237 54.840 -0.356 0.000 0.804 533 L CB 1.812 43.327 42.059 -0.907 0.000 1.195 533 L HN 0.444 nan 8.230 nan 0.000 0.428 534 V N 5.254 125.054 119.914 -0.189 0.000 2.444 534 V HA 0.520 4.641 4.120 0.001 0.000 0.294 534 V C -0.489 175.408 176.094 -0.328 0.000 1.022 534 V CA -0.690 61.460 62.300 -0.250 0.000 0.850 534 V CB 1.872 33.551 31.823 -0.241 0.000 0.992 534 V HN 0.827 nan 8.190 nan 0.000 0.426 535 R N 3.566 123.844 120.500 -0.370 0.000 2.561 535 R HA 0.741 5.081 4.340 0.001 0.000 0.297 535 R C -1.531 174.552 176.300 -0.361 0.000 0.969 535 R CA -0.603 55.322 56.100 -0.292 0.000 0.879 535 R CB 1.532 31.737 30.300 -0.157 0.000 1.178 535 R HN 0.388 nan 8.270 nan 0.000 0.445 536 F N 2.054 121.955 119.950 -0.082 0.000 2.377 536 F HA 0.455 4.982 4.527 0.001 0.000 0.328 536 F C 0.451 176.208 175.800 -0.072 0.000 1.094 536 F CA -0.330 57.616 58.000 -0.089 0.000 1.093 536 F CB 1.661 40.611 39.000 -0.083 0.000 1.214 536 F HN 0.503 nan 8.300 nan 0.000 0.518 537 K N 1.193 121.667 120.400 0.123 0.000 2.498 537 K HA 0.860 5.181 4.320 0.001 0.000 0.254 537 K C -0.481 176.144 176.600 0.042 0.000 0.933 537 K CA -0.929 55.390 56.287 0.055 0.000 0.806 537 K CB 2.286 34.793 32.500 0.013 0.000 1.301 537 K HN 0.952 nan 8.250 nan 0.000 0.432 538 G N 1.205 110.019 108.800 0.023 0.000 2.466 538 G HA2 -0.113 3.848 3.960 0.001 0.000 0.316 538 G HA3 -0.113 3.848 3.960 0.001 0.000 0.316 538 G C -1.684 173.215 174.900 -0.002 0.000 1.270 538 G CA -0.655 44.451 45.100 0.011 0.000 0.982 538 G HN 0.753 nan 8.290 nan 0.000 0.506 539 K N -0.202 120.194 120.400 -0.005 0.000 2.221 539 K HA 0.651 4.971 4.320 0.001 0.000 0.258 539 K C 0.767 177.354 176.600 -0.021 0.000 0.944 539 K CA -0.854 55.423 56.287 -0.017 0.000 0.823 539 K CB 0.914 33.408 32.500 -0.010 0.000 1.113 539 K HN 0.524 nan 8.250 nan 0.000 0.431 540 M N 3.767 123.343 119.600 -0.040 0.000 2.252 540 M HA 0.001 4.482 4.480 0.001 0.000 0.348 540 M C 0.322 176.612 176.300 -0.017 0.000 1.334 540 M CA 0.257 55.531 55.300 -0.042 0.000 1.071 540 M CB 0.780 33.337 32.600 -0.071 0.000 1.763 540 M HN 0.459 nan 8.290 nan 0.000 0.452 541 Q N 3.506 123.306 119.800 0.000 0.000 2.382 541 Q HA 0.347 4.688 4.340 0.001 0.000 0.229 541 Q C -2.158 173.858 176.000 0.027 0.000 1.006 541 Q CA -1.663 54.151 55.803 0.018 0.000 0.916 541 Q CB -0.223 28.534 28.738 0.031 0.000 1.235 541 Q HN 0.372 nan 8.270 nan 0.000 0.512 542 P HA -0.026 nan 4.420 nan 0.000 0.262 542 P C 0.532 177.882 177.300 0.083 0.000 1.182 542 P CA 1.166 64.292 63.100 0.043 0.000 0.761 542 P CB 0.190 31.913 31.700 0.038 0.000 0.795 543 G N 2.470 111.323 108.800 0.088 0.000 2.189 543 G HA2 -0.231 3.730 3.960 0.001 0.000 0.267 543 G HA3 -0.231 3.730 3.960 0.001 0.000 0.267 543 G C 0.190 175.235 174.900 0.242 0.000 0.975 543 G CA -0.374 44.833 45.100 0.178 0.000 0.644 543 G HN 0.458 nan 8.290 nan 0.000 0.537 544 I N 2.123 122.761 120.570 0.114 0.000 2.428 544 I HA 0.462 4.633 4.170 0.001 0.000 0.289 544 I C 1.289 177.412 176.117 0.010 0.000 1.019 544 I CA 0.033 61.367 61.300 0.057 0.000 1.351 544 I CB 0.696 38.707 38.000 0.018 0.000 1.412 544 I HN 0.337 nan 8.210 nan 0.000 0.513 545 T N 2.771 117.319 114.554 -0.010 0.000 2.889 545 T HA 0.402 4.753 4.350 0.001 0.000 0.278 545 T C 0.867 175.503 174.700 -0.106 0.000 0.995 545 T CA -0.650 61.420 62.100 -0.049 0.000 0.966 545 T CB 1.276 70.141 68.868 -0.005 0.000 1.237 545 T HN 0.293 nan 8.240 nan 0.000 0.591 546 L N 0.106 121.260 121.223 -0.115 0.000 2.156 546 L HA 0.271 4.611 4.340 0.001 0.000 0.208 546 L C 2.704 179.464 176.870 -0.183 0.000 1.095 546 L CA 1.484 56.229 54.840 -0.158 0.000 0.770 546 L CB -1.122 40.865 42.059 -0.119 0.000 0.914 546 L HN 0.741 nan 8.230 nan 0.000 0.439 547 R N 0.191 120.582 120.500 -0.181 0.000 2.096 547 R HA -0.149 4.191 4.340 0.001 0.000 0.235 547 R C 1.840 177.888 176.300 -0.419 0.000 1.127 547 R CA 1.720 57.634 56.100 -0.310 0.000 0.968 547 R CB -0.757 29.363 30.300 -0.301 0.000 0.861 547 R HN 0.431 nan 8.270 nan 0.000 0.440 548 D N -0.211 120.043 120.400 -0.242 0.000 2.144 548 D HA -0.148 4.493 4.640 0.001 0.000 0.199 548 D C 1.643 177.890 176.300 -0.088 0.000 0.984 548 D CA 1.011 54.923 54.000 -0.146 0.000 0.834 548 D CB 0.022 40.781 40.800 -0.069 0.000 0.955 548 D HN 0.158 nan 8.370 nan 0.000 0.465 549 L N 0.698 121.846 121.223 -0.125 0.000 2.083 549 L HA -0.121 4.220 4.340 0.001 0.000 0.209 549 L C 2.568 179.446 176.870 0.014 0.000 1.083 549 L CA 0.835 55.627 54.840 -0.080 0.000 0.752 549 L CB -0.908 40.944 42.059 -0.346 0.000 0.899 549 L HN -0.081 nan 8.230 nan 0.000 0.433 550 V N -0.839 119.010 119.914 -0.109 0.000 2.332 550 V HA -0.338 3.783 4.120 0.001 0.000 0.248 550 V C 2.310 178.430 176.094 0.043 0.000 1.055 550 V CA 1.948 64.201 62.300 -0.077 0.000 1.038 550 V CB -0.790 30.907 31.823 -0.209 0.000 0.651 550 V HN 0.579 nan 8.190 nan 0.000 0.450 551 H N -0.510 118.567 119.070 0.011 0.000 2.502 551 H HA 0.118 4.674 4.556 0.001 0.000 0.283 551 H C 2.221 177.596 175.328 0.078 0.000 1.015 551 H CA 0.632 56.693 56.048 0.021 0.000 1.298 551 H CB 0.022 29.787 29.762 0.005 0.000 1.411 551 H HN 0.469 nan 8.280 nan 0.000 0.556 552 A N 1.010 123.972 122.820 0.237 0.000 2.067 552 A HA -0.084 4.236 4.320 0.001 0.000 0.219 552 A C 2.206 179.986 177.584 0.327 0.000 1.158 552 A CA 0.727 52.953 52.037 0.314 0.000 0.661 552 A CB -0.493 18.693 19.000 0.311 0.000 0.801 552 A HN 0.310 nan 8.150 nan 0.000 0.452 553 I N 0.183 120.877 120.570 0.207 0.000 2.142 553 I HA -0.160 4.011 4.170 0.001 0.000 0.240 553 I C -0.495 175.734 176.117 0.185 0.000 1.078 553 I CA 1.416 62.798 61.300 0.136 0.000 1.343 553 I CB -1.125 36.873 38.000 -0.003 0.000 1.046 553 I HN 0.206 nan 8.210 nan 0.000 0.405 554 P HA -0.185 nan 4.420 nan 0.000 0.217 554 P C 1.991 179.382 177.300 0.151 0.000 1.150 554 P CA 1.270 64.459 63.100 0.149 0.000 0.832 554 P CB -0.093 31.651 31.700 0.074 0.000 0.787 555 L N -1.406 119.902 121.223 0.142 0.000 2.012 555 L HA -0.210 4.130 4.340 0.001 0.000 0.210 555 L C 2.212 179.080 176.870 -0.004 0.000 1.073 555 L CA 2.314 57.188 54.840 0.057 0.000 0.748 555 L CB -1.129 40.963 42.059 0.054 0.000 0.891 555 L HN -0.012 nan 8.230 nan 0.000 0.431 556 Y N -0.097 120.243 120.300 0.066 0.000 2.314 556 Y HA -0.064 4.487 4.550 0.001 0.000 0.293 556 Y C 2.627 178.558 175.900 0.051 0.000 1.129 556 Y CA 1.102 59.232 58.100 0.050 0.000 1.201 556 Y CB -0.561 37.921 38.460 0.038 0.000 0.999 556 Y HN 0.283 nan 8.280 nan 0.000 0.541 557 A N 0.077 123.031 122.820 0.224 0.000 1.930 557 A HA -0.138 4.182 4.320 0.001 0.000 0.217 557 A C 2.198 179.828 177.584 0.076 0.000 1.175 557 A CA 1.529 53.657 52.037 0.152 0.000 0.627 557 A CB -0.893 18.262 19.000 0.258 0.000 0.815 557 A HN 0.460 nan 8.150 nan 0.000 0.443 558 I N -0.679 119.932 120.570 0.068 0.000 2.163 558 I HA -0.252 3.919 4.170 0.001 0.000 0.240 558 I C 2.491 178.603 176.117 -0.009 0.000 1.081 558 I CA 1.510 62.824 61.300 0.022 0.000 1.353 558 I CB -0.318 37.689 38.000 0.011 0.000 1.054 558 I HN 0.270 nan 8.210 nan 0.000 0.407 559 K N 0.405 120.779 120.400 -0.043 0.000 2.074 559 K HA -0.260 4.060 4.320 0.001 0.000 0.209 559 K C 2.132 178.717 176.600 -0.025 0.000 1.048 559 K CA 1.658 57.901 56.287 -0.073 0.000 0.926 559 K CB -0.157 32.232 32.500 -0.185 0.000 0.713 559 K HN 0.420 nan 8.250 nan 0.000 0.444 560 Q N -1.360 118.445 119.800 0.008 0.000 2.311 560 Q HA -0.007 4.333 4.340 0.001 0.000 0.203 560 Q C 0.867 176.866 176.000 -0.001 0.000 0.954 560 Q CA 0.815 56.627 55.803 0.016 0.000 0.885 560 Q CB 0.651 29.411 28.738 0.037 0.000 0.963 560 Q HN 0.579 nan 8.270 nan 0.000 0.471 561 G N 0.090 108.887 108.800 -0.005 0.000 2.138 561 G HA2 -0.210 3.750 3.960 0.001 0.000 0.193 561 G HA3 -0.210 3.750 3.960 0.001 0.000 0.193 561 G C 0.474 175.359 174.900 -0.024 0.000 0.998 561 G CA -0.061 45.032 45.100 -0.012 0.000 0.668 561 G HN 0.279 nan 8.290 nan 0.000 0.516 562 L N -0.590 120.612 121.223 -0.036 0.000 2.554 562 L HA 0.527 4.868 4.340 0.001 0.000 0.225 562 L C 1.056 177.879 176.870 -0.077 0.000 1.104 562 L CA 0.334 55.124 54.840 -0.082 0.000 0.866 562 L CB 0.364 42.338 42.059 -0.143 0.000 1.047 562 L HN 0.300 nan 8.230 nan 0.000 0.468 563 L N -0.740 120.474 121.223 -0.015 0.000 2.422 563 L HA 0.514 4.855 4.340 0.001 0.000 0.264 563 L C -1.069 175.819 176.870 0.030 0.000 0.984 563 L CA -0.039 54.819 54.840 0.030 0.000 0.819 563 L CB 2.701 44.828 42.059 0.114 0.000 1.330 563 L HN -0.236 nan 8.230 nan 0.000 0.410 564 T N 1.496 116.070 114.554 0.032 0.000 2.893 564 T HA 0.389 4.740 4.350 0.001 0.000 0.291 564 T C 0.653 175.370 174.700 0.028 0.000 1.028 564 T CA -0.386 61.727 62.100 0.022 0.000 0.995 564 T CB 1.956 70.831 68.868 0.012 0.000 1.051 564 T HN 0.343 nan 8.240 nan 0.000 0.470 565 V N 1.860 121.785 119.914 0.019 0.000 2.535 565 V HA 0.106 4.227 4.120 0.001 0.000 0.246 565 V C 1.088 177.190 176.094 0.015 0.000 1.045 565 V CA 0.747 63.057 62.300 0.018 0.000 1.058 565 V CB -0.332 31.495 31.823 0.006 0.000 0.689 565 V HN 0.799 nan 8.190 nan 0.000 0.461 566 E N 0.741 120.946 120.200 0.009 0.000 2.465 566 E HA -0.058 4.293 4.350 0.001 0.000 0.260 566 E C 0.946 177.551 176.600 0.008 0.000 0.980 566 E CA 0.331 56.733 56.400 0.005 0.000 0.927 566 E CB 0.991 30.692 29.700 0.001 0.000 0.934 566 E HN 0.162 nan 8.360 nan 0.000 0.459 567 K N 3.229 123.632 120.400 0.004 0.000 2.001 567 K HA -0.048 4.272 4.320 0.001 0.000 0.208 567 K C 0.266 176.867 176.600 0.002 0.000 1.048 567 K CA 1.036 57.325 56.287 0.004 0.000 0.932 567 K CB -0.132 32.366 32.500 -0.004 0.000 0.715 567 K HN 0.397 nan 8.250 nan 0.000 0.437 568 K N 0.512 120.909 120.400 -0.004 0.000 2.402 568 K HA 0.002 4.322 4.320 0.001 0.000 0.279 568 K C -0.009 176.591 176.600 0.001 0.000 1.082 568 K CA 0.804 57.089 56.287 -0.004 0.000 1.080 568 K CB -0.227 32.267 32.500 -0.010 0.000 0.899 568 K HN 0.453 nan 8.250 nan 0.000 0.469 569 G N 3.611 112.414 108.800 0.005 0.000 2.225 569 G HA2 -0.298 3.662 3.960 0.001 0.000 0.264 569 G HA3 -0.298 3.662 3.960 0.001 0.000 0.264 569 G C -0.025 174.881 174.900 0.010 0.000 1.060 569 G CA 0.115 45.219 45.100 0.008 0.000 0.833 569 G HN 0.674 nan 8.290 nan 0.000 0.498 570 K N 0.009 120.417 120.400 0.013 0.000 2.489 570 K HA 0.162 4.483 4.320 0.001 0.000 0.278 570 K C 0.298 176.908 176.600 0.017 0.000 1.000 570 K CA 0.265 56.563 56.287 0.018 0.000 1.012 570 K CB 0.229 32.744 32.500 0.025 0.000 0.903 570 K HN 0.082 nan 8.250 nan 0.000 0.485 571 K N 2.984 123.392 120.400 0.014 0.000 2.182 571 K HA 0.248 4.568 4.320 0.001 0.000 0.262 571 K C -0.432 176.174 176.600 0.011 0.000 0.957 571 K CA -0.727 55.562 56.287 0.004 0.000 0.842 571 K CB 1.179 33.675 32.500 -0.008 0.000 1.099 571 K HN 0.511 nan 8.250 nan 0.000 0.438 572 N N 2.994 121.692 118.700 -0.002 0.000 2.793 572 N HA 0.065 4.806 4.740 0.001 0.000 0.251 572 N C 0.015 175.486 175.510 -0.065 0.000 1.308 572 N CA -0.314 52.743 53.050 0.013 0.000 0.781 572 N CB 0.424 38.963 38.487 0.086 0.000 1.439 572 N HN 0.459 nan 8.380 nan 0.000 0.562 573 I N 2.429 122.857 120.570 -0.236 0.000 2.530 573 I HA -0.032 4.139 4.170 0.001 0.000 0.257 573 I C 0.869 176.789 176.117 -0.328 0.000 1.179 573 I CA 1.512 62.608 61.300 -0.340 0.000 1.440 573 I CB -0.220 37.479 38.000 -0.502 0.000 1.087 573 I HN 0.514 nan 8.210 nan 0.000 0.440 574 F N -0.733 119.229 119.950 0.020 0.000 2.416 574 F HA 0.160 4.688 4.527 0.001 0.000 0.296 574 F C 1.755 177.569 175.800 0.024 0.000 1.099 574 F CA 0.314 58.327 58.000 0.022 0.000 1.427 574 F CB -0.819 38.193 39.000 0.020 0.000 1.079 574 F HN -0.177 nan 8.300 nan 0.000 0.536 575 S N 0.410 116.215 115.700 0.175 0.000 2.596 575 S HA 0.279 4.750 4.470 0.001 0.000 0.298 575 S C 1.215 175.861 174.600 0.077 0.000 1.255 575 S CA 0.758 59.028 58.200 0.117 0.000 1.083 575 S CB -0.275 62.974 63.200 0.082 0.000 0.837 575 S HN 0.787 nan 8.310 nan 0.000 0.499 576 G N 4.602 113.447 108.800 0.076 0.000 2.184 576 G HA2 -0.245 3.715 3.960 0.001 0.000 0.264 576 G HA3 -0.245 3.715 3.960 0.001 0.000 0.264 576 G C 0.196 175.129 174.900 0.057 0.000 0.975 576 G CA 0.512 45.637 45.100 0.041 0.000 0.642 576 G HN 0.739 nan 8.290 nan 0.000 0.536 577 R N -0.864 119.694 120.500 0.096 0.000 2.875 577 R HA 0.744 5.084 4.340 0.001 0.000 0.251 577 R C 0.234 176.619 176.300 0.142 0.000 1.123 577 R CA -1.026 55.141 56.100 0.111 0.000 1.064 577 R CB 1.065 31.431 30.300 0.109 0.000 1.205 577 R HN 0.192 nan 8.270 nan 0.000 0.503 578 I N 2.177 122.837 120.570 0.151 0.000 2.342 578 I HA 0.138 4.309 4.170 0.001 0.000 0.291 578 I C -0.447 175.757 176.117 0.145 0.000 1.010 578 I CA -0.761 60.626 61.300 0.145 0.000 1.308 578 I CB 1.213 39.311 38.000 0.164 0.000 1.400 578 I HN 0.191 nan 8.210 nan 0.000 0.488 579 L N 7.800 129.086 121.223 0.104 0.000 2.265 579 L HA 0.370 4.710 4.340 0.001 0.000 0.288 579 L C -0.387 176.522 176.870 0.065 0.000 1.058 579 L CA 0.225 55.125 54.840 0.101 0.000 0.809 579 L CB 0.506 42.579 42.059 0.024 0.000 1.179 579 L HN 0.514 nan 8.230 nan 0.000 0.429 580 E N 6.491 126.735 120.200 0.074 0.000 2.199 580 E HA 0.470 4.821 4.350 0.001 0.000 0.265 580 E C -1.084 175.513 176.600 -0.006 0.000 0.882 580 E CA -0.511 55.921 56.400 0.055 0.000 0.759 580 E CB 2.231 32.008 29.700 0.130 0.000 1.148 580 E HN 0.541 nan 8.360 nan 0.000 0.412 581 I N 1.915 122.489 120.570 0.008 0.000 2.493 581 I HA 0.383 4.554 4.170 0.001 0.000 0.298 581 I C 0.032 176.166 176.117 0.027 0.000 0.998 581 I CA -0.549 60.756 61.300 0.008 0.000 1.137 581 I CB 1.601 39.645 38.000 0.073 0.000 1.310 581 I HN 0.409 nan 8.210 nan 0.000 0.445 582 E N 2.310 122.524 120.200 0.024 0.000 2.433 582 E HA 0.595 4.946 4.350 0.001 0.000 0.278 582 E C 0.021 176.683 176.600 0.103 0.000 0.976 582 E CA -0.513 55.913 56.400 0.043 0.000 0.793 582 E CB 2.339 32.036 29.700 -0.004 0.000 1.311 582 E HN 0.854 nan 8.360 nan 0.000 0.460 583 G N 0.584 109.439 108.800 0.091 0.000 2.255 583 G HA2 -0.189 3.772 3.960 0.001 0.000 0.196 583 G HA3 -0.189 3.772 3.960 0.001 0.000 0.196 583 G C 0.035 174.981 174.900 0.077 0.000 0.998 583 G CA -0.288 44.879 45.100 0.111 0.000 0.656 583 G HN 0.300 nan 8.290 nan 0.000 0.490 584 L N 1.722 122.976 121.223 0.052 0.000 2.678 584 L HA 0.319 4.660 4.340 0.001 0.000 0.250 584 L C -1.314 175.543 176.870 -0.022 0.000 1.455 584 L CA -1.389 53.439 54.840 -0.020 0.000 0.823 584 L CB 1.536 43.539 42.059 -0.093 0.000 1.107 584 L HN -0.027 nan 8.230 nan 0.000 0.514 585 P HA -0.089 nan 4.420 nan 0.000 0.230 585 P C 0.247 177.534 177.300 -0.022 0.000 1.158 585 P CA 0.975 64.072 63.100 -0.005 0.000 0.769 585 P CB 0.461 32.166 31.700 0.009 0.000 0.807 586 D N -0.528 119.850 120.400 -0.036 0.000 2.363 586 D HA 0.146 4.787 4.640 0.001 0.000 0.214 586 D C 0.878 177.132 176.300 -0.076 0.000 1.093 586 D CA -0.092 53.881 54.000 -0.045 0.000 0.837 586 D CB 0.455 41.234 40.800 -0.034 0.000 0.948 586 D HN 0.236 nan 8.370 nan 0.000 0.507 587 L N 1.098 122.264 121.223 -0.095 0.000 2.483 587 L HA 0.016 4.357 4.340 0.001 0.000 0.276 587 L C 0.980 177.739 176.870 -0.186 0.000 1.213 587 L CA 0.069 54.828 54.840 -0.136 0.000 0.843 587 L CB 0.327 42.306 42.059 -0.134 0.000 1.107 587 L HN -0.367 nan 8.230 nan 0.000 0.487 588 K N 0.966 121.196 120.400 -0.283 0.000 2.276 588 K HA 0.052 4.373 4.320 0.001 0.000 0.259 588 K C 0.864 177.222 176.600 -0.403 0.000 1.001 588 K CA -0.144 55.895 56.287 -0.414 0.000 0.927 588 K CB 0.899 32.910 32.500 -0.814 0.000 0.969 588 K HN 0.318 nan 8.250 nan 0.000 0.490 589 V N 1.933 121.549 119.914 -0.496 0.000 2.407 589 V HA -0.239 3.882 4.120 0.001 0.000 0.248 589 V C 1.525 177.344 176.094 -0.457 0.000 1.055 589 V CA 1.887 63.834 62.300 -0.588 0.000 1.049 589 V CB -0.576 30.564 31.823 -1.139 0.000 0.662 589 V HN 0.738 nan 8.190 nan 0.000 0.455 590 E N -0.250 119.686 120.200 -0.439 0.000 2.204 590 E HA -0.231 4.120 4.350 0.001 0.000 0.194 590 E C 2.221 178.811 176.600 -0.018 0.000 0.989 590 E CA 0.931 57.244 56.400 -0.145 0.000 0.824 590 E CB -0.164 29.510 29.700 -0.045 0.000 0.756 590 E HN 0.681 nan 8.360 nan 0.000 0.477 591 Q N 0.546 120.260 119.800 -0.142 0.000 2.083 591 Q HA -0.076 4.265 4.340 0.001 0.000 0.198 591 Q C 2.339 178.306 176.000 -0.054 0.000 0.969 591 Q CA 1.138 56.899 55.803 -0.070 0.000 0.838 591 Q CB -0.141 28.513 28.738 -0.140 0.000 0.900 591 Q HN 0.259 nan 8.270 nan 0.000 0.436 592 A N 0.639 123.408 122.820 -0.084 0.000 1.940 592 A HA -0.205 4.116 4.320 0.001 0.000 0.219 592 A C 1.818 179.415 177.584 0.022 0.000 1.176 592 A CA 1.083 53.090 52.037 -0.051 0.000 0.631 592 A CB -0.757 18.200 19.000 -0.073 0.000 0.814 592 A HN 0.444 nan 8.150 nan 0.000 0.446 593 F N 1.169 121.063 119.950 -0.092 0.000 2.216 593 F HA -0.136 4.391 4.527 0.001 0.000 0.300 593 F C 2.040 177.829 175.800 -0.019 0.000 1.085 593 F CA 1.811 59.786 58.000 -0.042 0.000 1.326 593 F CB -0.328 38.660 39.000 -0.019 0.000 1.027 593 F HN 0.410 nan 8.300 nan 0.000 0.497 594 E N 0.194 120.333 120.200 -0.102 0.000 2.085 594 E HA -0.241 4.109 4.350 0.001 0.000 0.194 594 E C 2.306 178.771 176.600 -0.225 0.000 0.994 594 E CA 1.714 58.002 56.400 -0.186 0.000 0.801 594 E CB -0.374 29.284 29.700 -0.071 0.000 0.743 594 E HN 0.441 nan 8.360 nan 0.000 0.453 595 L N 0.565 121.695 121.223 -0.155 0.000 2.072 595 L HA -0.137 4.204 4.340 0.001 0.000 0.205 595 L C 2.884 179.670 176.870 -0.141 0.000 1.079 595 L CA 1.538 56.308 54.840 -0.117 0.000 0.752 595 L CB -0.596 41.435 42.059 -0.047 0.000 0.906 595 L HN 0.300 nan 8.230 nan 0.000 0.436 596 T N -4.086 110.375 114.554 -0.154 0.000 2.857 596 T HA -0.200 4.151 4.350 0.001 0.000 0.266 596 T C 1.643 176.203 174.700 -0.233 0.000 1.048 596 T CA 1.153 63.174 62.100 -0.132 0.000 1.139 596 T CB -0.335 68.529 68.868 -0.008 0.000 0.874 596 T HN 0.166 nan 8.240 nan 0.000 0.455 597 D N 2.435 122.520 120.400 -0.527 0.000 2.106 597 D HA -0.058 4.583 4.640 0.001 0.000 0.191 597 D C 2.296 178.489 176.300 -0.178 0.000 0.997 597 D CA 1.693 55.351 54.000 -0.570 0.000 0.834 597 D CB -0.739 39.417 40.800 -1.072 0.000 0.956 597 D HN 0.521 nan 8.370 nan 0.000 0.448 598 A N -0.051 122.660 122.820 -0.182 0.000 2.172 598 A HA -0.091 4.230 4.320 0.001 0.000 0.216 598 A C 2.187 179.714 177.584 -0.094 0.000 1.154 598 A CA 1.780 53.767 52.037 -0.083 0.000 0.701 598 A CB -0.696 18.254 19.000 -0.084 0.000 0.789 598 A HN 0.369 nan 8.150 nan 0.000 0.465 599 S N 0.032 115.657 115.700 -0.125 0.000 2.442 599 S HA -0.004 4.467 4.470 0.001 0.000 0.236 599 S C 1.932 176.467 174.600 -0.107 0.000 1.007 599 S CA 1.123 59.242 58.200 -0.135 0.000 0.965 599 S CB -0.551 62.578 63.200 -0.118 0.000 0.773 599 S HN 0.838 nan 8.310 nan 0.000 0.504 600 A N 1.885 124.638 122.820 -0.112 0.000 1.902 600 A HA -0.072 4.249 4.320 0.001 0.000 0.217 600 A C 2.106 179.650 177.584 -0.067 0.000 1.181 600 A CA 1.681 53.629 52.037 -0.148 0.000 0.623 600 A CB -0.752 18.003 19.000 -0.409 0.000 0.818 600 A HN 0.511 nan 8.150 nan 0.000 0.443 601 E N -0.490 119.693 120.200 -0.028 0.000 2.347 601 E HA -0.041 4.309 4.350 0.001 0.000 0.196 601 E C 1.878 178.484 176.600 0.009 0.000 1.008 601 E CA 0.401 56.809 56.400 0.013 0.000 0.852 601 E CB -0.044 29.650 29.700 -0.009 0.000 0.783 601 E HN 0.292 nan 8.360 nan 0.000 0.505 602 R N -0.468 120.002 120.500 -0.049 0.000 2.275 602 R HA 0.173 4.514 4.340 0.001 0.000 0.199 602 R C 0.490 176.834 176.300 0.073 0.000 0.989 602 R CA 0.208 56.278 56.100 -0.051 0.000 1.016 602 R CB -0.268 29.852 30.300 -0.300 0.000 0.918 602 R HN -0.031 nan 8.270 nan 0.000 0.473 603 S N -1.174 114.559 115.700 0.055 0.000 3.482 603 S HA -0.176 4.295 4.470 0.001 0.000 0.294 603 S C 0.221 174.873 174.600 0.086 0.000 1.244 603 S CA 0.504 58.751 58.200 0.078 0.000 0.911 603 S CB -1.286 61.974 63.200 0.101 0.000 1.070 603 S HN 0.646 nan 8.310 nan 0.000 0.614 604 A N 0.442 123.300 122.820 0.064 0.000 2.386 604 A HA 0.758 5.079 4.320 0.001 0.000 0.248 604 A C 1.411 179.035 177.584 0.067 0.000 1.082 604 A CA 0.473 52.558 52.037 0.080 0.000 0.789 604 A CB 0.239 19.265 19.000 0.044 0.000 1.025 604 A HN 1.163 nan 8.150 nan 0.000 0.490 605 A N 1.405 124.289 122.820 0.105 0.000 2.016 605 A HA 0.470 4.791 4.320 0.001 0.000 0.217 605 A C 1.178 178.849 177.584 0.145 0.000 1.162 605 A CA 1.611 53.742 52.037 0.157 0.000 0.662 605 A CB -0.413 18.716 19.000 0.215 0.000 0.812 605 A HN 2.074 nan 8.150 nan 0.000 0.450 606 G N -3.099 105.725 108.800 0.041 0.000 2.550 606 G HA2 0.452 4.413 3.960 0.001 0.000 0.293 606 G HA3 0.452 4.413 3.960 0.001 0.000 0.293 606 G C -1.518 173.309 174.900 -0.121 0.000 1.402 606 G CA 0.183 45.173 45.100 -0.183 0.000 0.784 606 G HN 0.713 nan 8.290 nan 0.000 0.482 607 C N -0.813 118.380 119.300 -0.179 0.000 3.173 607 C HA 0.935 5.396 4.460 0.001 0.000 0.310 607 C C -0.318 174.627 174.990 -0.075 0.000 1.306 607 C CA 0.070 59.035 59.018 -0.087 0.000 1.426 607 C CB 1.284 28.977 27.740 -0.079 0.000 1.800 607 C HN 1.122 nan 8.230 nan 0.000 0.470 608 T N 3.084 117.627 114.554 -0.018 0.000 2.900 608 T HA 0.699 5.050 4.350 0.001 0.000 0.303 608 T C -1.722 172.991 174.700 0.022 0.000 1.142 608 T CA -0.352 61.752 62.100 0.006 0.000 1.007 608 T CB 1.306 70.192 68.868 0.029 0.000 1.156 608 T HN 0.804 nan 8.240 nan 0.000 0.490 609 I N 2.939 123.524 120.570 0.025 0.000 2.569 609 I HA 0.531 4.701 4.170 0.001 0.000 0.290 609 I C -0.750 175.384 176.117 0.029 0.000 1.088 609 I CA -0.895 60.422 61.300 0.028 0.000 1.047 609 I CB 1.708 39.720 38.000 0.020 0.000 1.237 609 I HN 0.542 nan 8.210 nan 0.000 0.421 610 K N 8.236 128.658 120.400 0.037 0.000 2.316 610 K HA 0.495 4.816 4.320 0.001 0.000 0.289 610 K C -1.652 174.963 176.600 0.026 0.000 1.070 610 K CA -0.235 56.075 56.287 0.038 0.000 0.928 610 K CB 0.536 33.064 32.500 0.046 0.000 1.039 610 K HN 0.607 nan 8.250 nan 0.000 0.480 611 L N 3.423 124.660 121.223 0.023 0.000 2.354 611 L HA 0.389 4.730 4.340 0.001 0.000 0.264 611 L C 0.060 176.949 176.870 0.033 0.000 1.008 611 L CA -1.366 53.481 54.840 0.011 0.000 0.819 611 L CB 1.872 43.922 42.059 -0.014 0.000 1.339 611 L HN 0.662 nan 8.230 nan 0.000 0.420 612 N N 0.861 119.577 118.700 0.027 0.000 2.381 612 N HA 0.070 4.810 4.740 0.001 0.000 0.254 612 N C 0.672 176.228 175.510 0.077 0.000 1.264 612 N CA -0.240 52.838 53.050 0.046 0.000 0.942 612 N CB 0.965 39.469 38.487 0.030 0.000 1.190 612 N HN 0.561 nan 8.380 nan 0.000 0.495 613 K N 0.129 120.594 120.400 0.108 0.000 2.217 613 K HA -0.020 4.301 4.320 0.001 0.000 0.202 613 K C 0.892 177.591 176.600 0.166 0.000 1.051 613 K CA 1.089 57.490 56.287 0.190 0.000 0.952 613 K CB 0.056 32.659 32.500 0.172 0.000 0.736 613 K HN 0.278 nan 8.250 nan 0.000 0.453 614 E N 1.768 122.021 120.200 0.090 0.000 2.049 614 E HA -0.134 4.217 4.350 0.001 0.000 0.198 614 E C -0.791 175.847 176.600 0.062 0.000 1.007 614 E CA 1.700 58.140 56.400 0.067 0.000 0.809 614 E CB -1.359 28.361 29.700 0.033 0.000 0.749 614 E HN 0.342 nan 8.360 nan 0.000 0.450 615 P HA -0.125 nan 4.420 nan 0.000 0.216 615 P C 1.144 178.458 177.300 0.024 0.000 1.150 615 P CA 1.153 64.244 63.100 -0.016 0.000 0.837 615 P CB -0.019 31.635 31.700 -0.076 0.000 0.786 616 I N -1.357 119.249 120.570 0.060 0.000 2.226 616 I HA -0.214 3.957 4.170 0.001 0.000 0.245 616 I C 2.326 178.558 176.117 0.192 0.000 1.100 616 I CA 1.463 62.813 61.300 0.083 0.000 1.374 616 I CB -0.719 37.310 38.000 0.048 0.000 1.057 616 I HN -0.110 nan 8.210 nan 0.000 0.413 617 I N 0.831 121.565 120.570 0.272 0.000 2.226 617 I HA -0.294 3.876 4.170 0.001 0.000 0.245 617 I C 2.701 178.920 176.117 0.170 0.000 1.100 617 I CA 1.487 62.959 61.300 0.286 0.000 1.374 617 I CB -0.330 37.790 38.000 0.200 0.000 1.057 617 I HN 0.285 nan 8.210 nan 0.000 0.413 618 E N 0.230 120.505 120.200 0.124 0.000 2.077 618 E HA -0.287 4.064 4.350 0.001 0.000 0.193 618 E C 2.263 178.930 176.600 0.112 0.000 0.989 618 E CA 1.390 57.842 56.400 0.088 0.000 0.800 618 E CB -0.136 29.596 29.700 0.054 0.000 0.746 618 E HN 0.435 nan 8.360 nan 0.000 0.452 619 Y N 1.255 121.535 120.300 -0.033 0.000 2.114 619 Y HA -0.191 4.360 4.550 0.001 0.000 0.284 619 Y C 2.044 177.926 175.900 -0.029 0.000 1.143 619 Y CA 1.505 59.569 58.100 -0.059 0.000 1.135 619 Y CB -0.384 38.021 38.460 -0.092 0.000 0.980 619 Y HN 0.047 nan 8.280 nan 0.000 0.499 620 L N -0.056 121.190 121.223 0.039 0.000 2.083 620 L HA -0.271 4.070 4.340 0.001 0.000 0.209 620 L C 2.154 179.022 176.870 -0.002 0.000 1.083 620 L CA 1.508 56.330 54.840 -0.029 0.000 0.752 620 L CB -0.796 41.303 42.059 0.067 0.000 0.899 620 L HN 0.306 nan 8.230 nan 0.000 0.433 621 N N -0.438 118.288 118.700 0.045 0.000 2.166 621 N HA -0.177 4.564 4.740 0.001 0.000 0.186 621 N C 2.097 177.616 175.510 0.015 0.000 1.019 621 N CA 1.596 54.670 53.050 0.040 0.000 0.856 621 N CB -0.034 38.481 38.487 0.048 0.000 0.993 621 N HN 0.184 nan 8.380 nan 0.000 0.426 622 S N 0.799 116.491 115.700 -0.014 0.000 2.371 622 S HA 0.022 4.492 4.470 0.001 0.000 0.224 622 S C 1.567 176.173 174.600 0.010 0.000 1.029 622 S CA 0.965 59.162 58.200 -0.005 0.000 0.978 622 S CB -0.173 62.989 63.200 -0.065 0.000 0.833 622 S HN 0.384 nan 8.310 nan 0.000 0.466 623 N N 0.819 119.446 118.700 -0.122 0.000 2.166 623 N HA -0.017 4.724 4.740 0.001 0.000 0.186 623 N C 1.740 177.205 175.510 -0.075 0.000 1.019 623 N CA 1.470 54.419 53.050 -0.169 0.000 0.856 623 N CB -0.273 38.020 38.487 -0.323 0.000 0.993 623 N HN 0.375 nan 8.380 nan 0.000 0.426 624 I N 0.727 121.283 120.570 -0.024 0.000 2.194 624 I HA -0.260 3.911 4.170 0.001 0.000 0.246 624 I C 1.943 178.098 176.117 0.063 0.000 1.093 624 I CA 1.035 62.356 61.300 0.035 0.000 1.355 624 I CB -0.130 37.903 38.000 0.055 0.000 1.046 624 I HN 0.029 nan 8.210 nan 0.000 0.413 625 V N 0.311 120.259 119.914 0.057 0.000 2.453 625 V HA -0.235 3.886 4.120 0.001 0.000 0.247 625 V C 2.263 178.400 176.094 0.073 0.000 1.048 625 V CA 1.289 63.645 62.300 0.093 0.000 1.049 625 V CB -0.384 31.503 31.823 0.106 0.000 0.672 625 V HN 0.346 nan 8.190 nan 0.000 0.457 626 L N -0.413 120.759 121.223 -0.084 0.000 2.017 626 L HA -0.134 4.207 4.340 0.001 0.000 0.208 626 L C 2.193 179.107 176.870 0.074 0.000 1.073 626 L CA 1.965 56.667 54.840 -0.230 0.000 0.745 626 L CB -0.529 41.177 42.059 -0.588 0.000 0.894 626 L HN 0.146 nan 8.230 nan 0.000 0.432 627 L N -0.285 120.958 121.223 0.034 0.000 2.046 627 L HA -0.215 4.126 4.340 0.001 0.000 0.208 627 L C 2.495 179.425 176.870 0.100 0.000 1.077 627 L CA 1.697 56.572 54.840 0.059 0.000 0.747 627 L CB -1.083 40.992 42.059 0.027 0.000 0.896 627 L HN 0.269 nan 8.230 nan 0.000 0.432 628 K N -1.920 118.568 120.400 0.148 0.000 2.057 628 K HA -0.248 4.073 4.320 0.001 0.000 0.207 628 K C 2.064 178.781 176.600 0.194 0.000 1.049 628 K CA 1.694 58.085 56.287 0.174 0.000 0.931 628 K CB -0.453 32.175 32.500 0.214 0.000 0.714 628 K HN 0.358 nan 8.250 nan 0.000 0.440 629 W N 1.763 123.095 121.300 0.052 0.000 2.342 629 W HA -0.188 4.473 4.660 0.002 0.000 0.297 629 W C 1.742 178.310 176.519 0.083 0.000 1.213 629 W CA 1.487 58.877 57.345 0.076 0.000 1.251 629 W CB -0.103 29.431 29.460 0.124 0.000 1.136 629 W HN -0.052 nan 8.180 nan 0.000 0.526 630 M N -0.037 119.584 119.600 0.035 0.000 2.108 630 M HA -0.232 4.249 4.480 0.001 0.000 0.261 630 M C 2.066 178.343 176.300 -0.039 0.000 1.066 630 M CA 1.942 57.141 55.300 -0.169 0.000 1.107 630 M CB -0.784 31.721 32.600 -0.158 0.000 1.356 630 M HN 0.041 nan 8.290 nan 0.000 0.406 631 I N 0.163 120.720 120.570 -0.021 0.000 2.226 631 I HA -0.253 3.918 4.170 0.001 0.000 0.245 631 I C 2.698 178.780 176.117 -0.058 0.000 1.100 631 I CA 1.254 62.537 61.300 -0.027 0.000 1.374 631 I CB -0.515 37.461 38.000 -0.039 0.000 1.057 631 I HN 0.254 nan 8.210 nan 0.000 0.413 632 A N 0.017 122.793 122.820 -0.073 0.000 1.972 632 A HA -0.186 4.135 4.320 0.001 0.000 0.219 632 A C 2.136 179.617 177.584 -0.172 0.000 1.169 632 A CA 1.455 53.437 52.037 -0.091 0.000 0.635 632 A CB -0.375 18.593 19.000 -0.053 0.000 0.810 632 A HN 0.358 nan 8.150 nan 0.000 0.446 633 E N -1.397 118.630 120.200 -0.289 0.000 2.482 633 E HA 0.117 4.468 4.350 0.001 0.000 0.196 633 E C 1.163 177.628 176.600 -0.223 0.000 1.047 633 E CA 0.725 56.935 56.400 -0.317 0.000 0.869 633 E CB -0.096 29.283 29.700 -0.535 0.000 0.836 633 E HN 0.822 nan 8.360 nan 0.000 0.520 634 G N 1.069 109.781 108.800 -0.147 0.000 2.130 634 G HA2 -0.267 3.694 3.960 0.001 0.000 0.216 634 G HA3 -0.267 3.694 3.960 0.001 0.000 0.216 634 G C -0.219 174.568 174.900 -0.189 0.000 0.999 634 G CA -0.245 44.758 45.100 -0.162 0.000 0.686 634 G HN 0.182 nan 8.290 nan 0.000 0.515 635 Y N 0.755 120.963 120.300 -0.154 0.000 2.497 635 Y HA 0.397 4.948 4.550 0.002 0.000 0.334 635 Y C 1.663 177.510 175.900 -0.089 0.000 1.199 635 Y CA 0.813 58.838 58.100 -0.125 0.000 1.425 635 Y CB 0.837 39.221 38.460 -0.126 0.000 1.291 635 Y HN 0.315 nan 8.280 nan 0.000 0.562 636 G N 3.120 111.956 108.800 0.061 0.000 2.254 636 G HA2 0.089 4.050 3.960 0.001 0.000 0.253 636 G HA3 0.089 4.050 3.960 0.001 0.000 0.253 636 G C -0.345 174.578 174.900 0.038 0.000 1.246 636 G CA 0.024 45.141 45.100 0.028 0.000 0.946 636 G HN 0.902 nan 8.290 nan 0.000 0.474 637 D N 1.006 121.409 120.400 0.005 0.000 3.830 637 D HA -0.159 4.482 4.640 0.001 0.000 0.247 637 D C 1.417 177.704 176.300 -0.022 0.000 1.073 637 D CA 0.547 54.543 54.000 -0.007 0.000 1.116 637 D CB -0.149 40.652 40.800 0.003 0.000 0.909 637 D HN 0.764 nan 8.370 nan 0.000 0.418 638 R N 2.287 122.761 120.500 -0.044 0.000 2.091 638 R HA -0.154 4.186 4.340 0.001 0.000 0.238 638 R C 2.233 178.466 176.300 -0.112 0.000 1.136 638 R CA 1.578 57.630 56.100 -0.080 0.000 0.959 638 R CB 0.106 30.354 30.300 -0.088 0.000 0.856 638 R HN 0.373 nan 8.270 nan 0.000 0.437 639 R N -0.587 119.861 120.500 -0.088 0.000 2.091 639 R HA -0.092 4.249 4.340 0.001 0.000 0.238 639 R C 2.297 178.554 176.300 -0.071 0.000 1.136 639 R CA 2.139 58.187 56.100 -0.087 0.000 0.959 639 R CB -0.483 29.784 30.300 -0.054 0.000 0.856 639 R HN 0.270 nan 8.270 nan 0.000 0.437 640 T N 1.498 116.027 114.554 -0.042 0.000 2.788 640 T HA -0.078 4.272 4.350 0.001 0.000 0.268 640 T C 1.859 176.537 174.700 -0.037 0.000 1.044 640 T CA 1.026 63.113 62.100 -0.021 0.000 1.139 640 T CB -0.108 68.765 68.868 0.007 0.000 0.867 640 T HN 0.123 nan 8.240 nan 0.000 0.454 641 L N 0.539 121.727 121.223 -0.057 0.000 2.056 641 L HA -0.060 4.281 4.340 0.001 0.000 0.207 641 L C 2.749 179.552 176.870 -0.112 0.000 1.078 641 L CA 1.333 56.133 54.840 -0.067 0.000 0.749 641 L CB -0.508 41.512 42.059 -0.065 0.000 0.901 641 L HN 0.297 nan 8.230 nan 0.000 0.433 642 E N -0.198 119.868 120.200 -0.223 0.000 2.077 642 E HA -0.243 4.107 4.350 0.001 0.000 0.193 642 E C 2.330 178.881 176.600 -0.081 0.000 0.989 642 E CA 0.909 57.071 56.400 -0.396 0.000 0.800 642 E CB -0.086 29.239 29.700 -0.626 0.000 0.746 642 E HN 0.313 nan 8.360 nan 0.000 0.452 643 R N 0.631 121.108 120.500 -0.038 0.000 2.081 643 R HA -0.141 4.199 4.340 0.001 0.000 0.235 643 R C 2.369 178.698 176.300 0.048 0.000 1.131 643 R CA 1.211 57.328 56.100 0.029 0.000 0.960 643 R CB -0.004 30.304 30.300 0.012 0.000 0.856 643 R HN -0.093 nan 8.270 nan 0.000 0.436 644 R N 0.742 121.256 120.500 0.023 0.000 2.115 644 R HA 0.015 4.355 4.340 0.001 0.000 0.226 644 R C 1.948 178.281 176.300 0.056 0.000 1.100 644 R CA 1.179 57.293 56.100 0.025 0.000 0.980 644 R CB -0.431 29.867 30.300 -0.004 0.000 0.875 644 R HN 0.237 nan 8.270 nan 0.000 0.445 645 I N 0.341 120.966 120.570 0.093 0.000 2.226 645 I HA -0.309 3.862 4.170 0.001 0.000 0.245 645 I C 2.237 178.460 176.117 0.176 0.000 1.100 645 I CA 1.445 62.841 61.300 0.159 0.000 1.374 645 I CB -0.231 37.947 38.000 0.297 0.000 1.057 645 I HN 0.283 nan 8.210 nan 0.000 0.413 646 Q N 0.274 120.204 119.800 0.215 0.000 2.084 646 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 646 Q C 2.360 178.429 176.000 0.115 0.000 0.978 646 Q CA 1.640 57.543 55.803 0.167 0.000 0.844 646 Q CB -0.469 28.380 28.738 0.186 0.000 0.898 646 Q HN 0.655 nan 8.270 nan 0.000 0.426 647 G N 0.588 109.449 108.800 0.102 0.000 2.422 647 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 647 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 647 G C 1.377 176.349 174.900 0.119 0.000 1.146 647 G CA 0.679 45.835 45.100 0.093 0.000 0.769 647 G HN 0.178 nan 8.290 nan 0.000 0.547 648 M N -0.009 119.653 119.600 0.103 0.000 2.099 648 M HA 0.012 4.493 4.480 0.001 0.000 0.262 648 M C 2.476 178.883 176.300 0.179 0.000 1.067 648 M CA 1.259 56.635 55.300 0.127 0.000 1.124 648 M CB -0.337 32.305 32.600 0.070 0.000 1.353 648 M HN 0.236 nan 8.290 nan 0.000 0.410 649 E N 0.424 120.700 120.200 0.126 0.000 2.118 649 E HA -0.239 4.112 4.350 0.001 0.000 0.195 649 E C 2.013 178.670 176.600 0.096 0.000 0.992 649 E CA 1.203 57.661 56.400 0.097 0.000 0.804 649 E CB -0.115 29.618 29.700 0.055 0.000 0.741 649 E HN 0.373 nan 8.360 nan 0.000 0.458 650 K N 0.040 120.506 120.400 0.110 0.000 2.057 650 K HA -0.194 4.127 4.320 0.001 0.000 0.206 650 K C 1.904 178.573 176.600 0.116 0.000 1.050 650 K CA 1.320 57.663 56.287 0.093 0.000 0.935 650 K CB -0.193 32.363 32.500 0.094 0.000 0.715 650 K HN 0.176 nan 8.250 nan 0.000 0.439 651 W N 1.506 122.813 121.300 0.013 0.000 2.363 651 W HA -0.128 4.532 4.660 0.001 0.000 0.296 651 W C 1.402 177.928 176.519 0.012 0.000 1.212 651 W CA 1.141 58.494 57.345 0.013 0.000 1.260 651 W CB -0.103 29.366 29.460 0.015 0.000 1.131 651 W HN 0.003 nan 8.180 nan 0.000 0.530 652 L N 0.549 121.869 121.223 0.161 0.000 2.191 652 L HA -0.144 4.197 4.340 0.001 0.000 0.212 652 L C 2.536 179.320 176.870 -0.145 0.000 1.103 652 L CA 1.104 55.940 54.840 -0.007 0.000 0.769 652 L CB -1.076 41.057 42.059 0.124 0.000 0.908 652 L HN 0.108 nan 8.230 nan 0.000 0.438 653 A N -0.871 121.886 122.820 -0.104 0.000 2.119 653 A HA -0.113 4.208 4.320 0.001 0.000 0.216 653 A C 1.132 178.619 177.584 -0.162 0.000 1.152 653 A CA 0.806 52.782 52.037 -0.102 0.000 0.708 653 A CB -0.246 18.723 19.000 -0.052 0.000 0.805 653 A HN 0.534 nan 8.150 nan 0.000 0.460 654 N N -0.203 118.336 118.700 -0.268 0.000 2.785 654 N HA 0.171 4.912 4.740 0.001 0.000 0.224 654 N C -3.287 171.892 175.510 -0.550 0.000 1.448 654 N CA -0.969 51.904 53.050 -0.295 0.000 0.748 654 N CB 0.972 39.357 38.487 -0.169 0.000 1.385 654 N HN -0.116 nan 8.380 nan 0.000 0.538 655 P HA 0.108 nan 4.420 nan 0.000 0.267 655 P C -1.036 175.946 177.300 -0.531 0.000 1.328 655 P CA 0.660 63.028 63.100 -1.220 0.000 0.990 655 P CB 0.194 31.339 31.700 -0.925 0.000 1.168 656 E N 2.584 122.600 120.200 -0.306 0.000 2.187 656 E HA 0.495 4.846 4.350 0.001 0.000 0.268 656 E C -0.611 176.163 176.600 0.291 0.000 0.896 656 E CA -0.765 55.654 56.400 0.033 0.000 0.766 656 E CB 1.674 31.392 29.700 0.029 0.000 1.142 656 E HN 0.306 nan 8.360 nan 0.000 0.408 657 L N 3.665 125.017 121.223 0.215 0.000 2.365 657 L HA 0.448 4.789 4.340 0.001 0.000 0.273 657 L C -0.304 176.648 176.870 0.137 0.000 1.000 657 L CA -0.813 54.159 54.840 0.220 0.000 0.819 657 L CB 1.375 43.560 42.059 0.210 0.000 1.284 657 L HN 0.373 nan 8.230 nan 0.000 0.418 658 L N 2.194 123.489 121.223 0.121 0.000 2.473 658 L HA 0.285 4.625 4.340 0.001 0.000 0.268 658 L C 0.036 176.960 176.870 0.090 0.000 1.215 658 L CA 0.255 55.151 54.840 0.094 0.000 0.823 658 L CB 0.588 42.696 42.059 0.082 0.000 1.099 658 L HN 0.622 nan 8.230 nan 0.000 0.483 659 E N 0.353 120.605 120.200 0.087 0.000 2.321 659 E HA 0.485 4.836 4.350 0.001 0.000 0.278 659 E C -1.208 175.451 176.600 0.098 0.000 0.902 659 E CA -0.800 55.651 56.400 0.087 0.000 0.758 659 E CB 1.925 31.671 29.700 0.076 0.000 1.213 659 E HN 0.650 nan 8.360 nan 0.000 0.426 660 A N 3.689 126.575 122.820 0.110 0.000 2.511 660 A HA 0.103 4.424 4.320 0.001 0.000 0.242 660 A C -0.169 177.482 177.584 0.113 0.000 1.069 660 A CA 0.080 52.196 52.037 0.132 0.000 0.763 660 A CB 0.161 19.264 19.000 0.172 0.000 1.001 660 A HN 0.618 nan 8.150 nan 0.000 0.498 661 D N 1.529 121.993 120.400 0.107 0.000 2.399 661 D HA 0.308 4.948 4.640 0.001 0.000 0.241 661 D C 1.472 177.812 176.300 0.066 0.000 1.133 661 D CA 0.849 54.893 54.000 0.073 0.000 0.890 661 D CB 1.209 42.037 40.800 0.046 0.000 1.201 661 D HN 0.577 nan 8.370 nan 0.000 0.432 662 A N 2.549 125.400 122.820 0.051 0.000 1.978 662 A HA -0.190 4.131 4.320 0.001 0.000 0.220 662 A C 1.186 178.798 177.584 0.048 0.000 1.170 662 A CA 1.530 53.597 52.037 0.051 0.000 0.636 662 A CB -0.198 18.823 19.000 0.034 0.000 0.810 662 A HN 0.649 nan 8.150 nan 0.000 0.448 663 D N -0.209 120.200 120.400 0.015 0.000 2.460 663 D HA 0.408 5.048 4.640 0.001 0.000 0.229 663 D C 0.424 176.698 176.300 -0.044 0.000 1.170 663 D CA 0.371 54.366 54.000 -0.009 0.000 0.827 663 D CB -0.519 40.259 40.800 -0.037 0.000 0.973 663 D HN 0.350 nan 8.370 nan 0.000 0.496 664 A N 0.643 123.452 122.820 -0.019 0.000 2.498 664 A HA 0.153 4.473 4.320 0.001 0.000 0.239 664 A C 0.247 177.686 177.584 -0.241 0.000 1.068 664 A CA -0.185 51.762 52.037 -0.150 0.000 0.766 664 A CB 0.322 19.246 19.000 -0.128 0.000 1.003 664 A HN 0.340 nan 8.150 nan 0.000 0.497 665 E N 1.005 120.975 120.200 -0.383 0.000 2.156 665 E HA 0.540 4.890 4.350 0.001 0.000 0.279 665 E C -1.680 174.642 176.600 -0.462 0.000 0.965 665 E CA -0.286 55.948 56.400 -0.275 0.000 0.789 665 E CB 0.636 30.241 29.700 -0.159 0.000 1.098 665 E HN 0.602 nan 8.360 nan 0.000 0.397 666 Y N 1.415 121.716 120.300 0.002 0.000 2.524 666 Y HA 0.447 4.998 4.550 0.001 0.000 0.344 666 Y C 0.896 176.793 175.900 -0.005 0.000 1.012 666 Y CA -0.698 57.406 58.100 0.006 0.000 1.068 666 Y CB 1.896 40.360 38.460 0.006 0.000 1.249 666 Y HN 0.671 nan 8.280 nan 0.000 0.468 667 A N 1.523 124.434 122.820 0.151 0.000 2.014 667 A HA 0.452 4.773 4.320 0.001 0.000 0.218 667 A C 0.739 178.349 177.584 0.043 0.000 1.163 667 A CA 1.454 53.530 52.037 0.066 0.000 0.652 667 A CB -0.332 18.692 19.000 0.040 0.000 0.808 667 A HN 0.870 nan 8.150 nan 0.000 0.449 668 A N -2.364 120.491 122.820 0.059 0.000 2.597 668 A HA 0.560 4.881 4.320 0.001 0.000 0.292 668 A C -1.447 176.123 177.584 -0.022 0.000 1.057 668 A CA -0.287 51.748 52.037 -0.003 0.000 0.674 668 A CB 0.717 19.678 19.000 -0.066 0.000 1.278 668 A HN 0.590 nan 8.150 nan 0.000 0.416 669 V N 1.663 121.544 119.914 -0.055 0.000 2.623 669 V HA 0.534 4.655 4.120 0.001 0.000 0.304 669 V C -0.816 175.222 176.094 -0.094 0.000 1.054 669 V CA -0.184 62.053 62.300 -0.105 0.000 0.882 669 V CB 1.696 33.453 31.823 -0.110 0.000 1.002 669 V HN 0.710 nan 8.190 nan 0.000 0.424 670 I N 3.824 124.326 120.570 -0.113 0.000 2.410 670 I HA 0.417 4.588 4.170 0.001 0.000 0.286 670 I C -0.687 175.329 176.117 -0.169 0.000 1.009 670 I CA -0.377 60.862 61.300 -0.101 0.000 1.111 670 I CB 1.658 39.627 38.000 -0.050 0.000 1.262 670 I HN 0.543 nan 8.210 nan 0.000 0.443 671 D N 7.886 128.199 120.400 -0.146 0.000 2.177 671 D HA 0.525 5.166 4.640 0.001 0.000 0.247 671 D C -0.375 175.787 176.300 -0.230 0.000 1.063 671 D CA -0.076 53.818 54.000 -0.176 0.000 0.867 671 D CB 2.673 43.407 40.800 -0.109 0.000 1.168 671 D HN 0.303 nan 8.370 nan 0.000 0.445 672 I N 1.738 122.127 120.570 -0.302 0.000 2.447 672 I HA 0.069 4.239 4.170 0.001 0.000 0.287 672 I C -0.330 175.676 176.117 -0.185 0.000 1.023 672 I CA -0.784 60.285 61.300 -0.386 0.000 1.083 672 I CB 2.154 39.851 38.000 -0.505 0.000 1.245 672 I HN 0.081 nan 8.210 nan 0.000 0.434 673 D N 6.662 126.961 120.400 -0.168 0.000 2.339 673 D HA 0.226 4.867 4.640 0.001 0.000 0.241 673 D C 1.088 177.380 176.300 -0.015 0.000 1.183 673 D CA -0.109 53.862 54.000 -0.049 0.000 0.859 673 D CB 1.419 42.209 40.800 -0.017 0.000 1.067 673 D HN 0.457 nan 8.370 nan 0.000 0.484 674 L N 3.006 124.245 121.223 0.027 0.000 2.187 674 L HA -0.197 4.144 4.340 0.001 0.000 0.213 674 L C 2.238 179.124 176.870 0.026 0.000 1.100 674 L CA 1.088 55.945 54.840 0.027 0.000 0.765 674 L CB -0.363 41.700 42.059 0.007 0.000 0.904 674 L HN 0.433 nan 8.230 nan 0.000 0.437 675 A N -0.819 122.016 122.820 0.026 0.000 2.070 675 A HA -0.203 4.118 4.320 0.001 0.000 0.220 675 A C 1.868 179.483 177.584 0.051 0.000 1.159 675 A CA 1.466 53.522 52.037 0.032 0.000 0.656 675 A CB -0.342 18.674 19.000 0.026 0.000 0.800 675 A HN 0.379 nan 8.150 nan 0.000 0.453 676 D N -0.323 120.120 120.400 0.071 0.000 2.355 676 D HA 0.068 4.709 4.640 0.001 0.000 0.218 676 D C 0.062 176.448 176.300 0.143 0.000 1.004 676 D CA 0.395 54.466 54.000 0.119 0.000 0.880 676 D CB 0.123 41.034 40.800 0.185 0.000 0.911 676 D HN 0.325 nan 8.370 nan 0.000 0.528 677 I N 1.579 122.218 120.570 0.115 0.000 2.310 677 I HA 0.148 4.319 4.170 0.001 0.000 0.287 677 I C 0.947 177.106 176.117 0.070 0.000 1.073 677 I CA 0.014 61.381 61.300 0.111 0.000 1.216 677 I CB 1.121 39.181 38.000 0.100 0.000 1.415 677 I HN -0.291 nan 8.210 nan 0.000 0.480 678 K N 3.443 123.882 120.400 0.065 0.000 2.391 678 K HA 0.226 4.547 4.320 0.001 0.000 0.197 678 K C 0.131 176.762 176.600 0.052 0.000 1.087 678 K CA 0.195 56.515 56.287 0.055 0.000 1.012 678 K CB 0.829 33.360 32.500 0.051 0.000 0.925 678 K HN 0.563 nan 8.250 nan 0.000 0.547 679 E N 1.030 121.251 120.200 0.036 0.000 2.263 679 E HA 0.293 4.643 4.350 0.001 0.000 0.264 679 E C -2.754 173.825 176.600 -0.035 0.000 0.923 679 E CA -2.526 53.874 56.400 0.001 0.000 0.802 679 E CB 1.501 31.198 29.700 -0.006 0.000 1.228 679 E HN -0.181 nan 8.360 nan 0.000 0.417 680 P HA 0.129 nan 4.420 nan 0.000 0.272 680 P C -0.823 176.436 177.300 -0.069 0.000 1.223 680 P CA 0.126 63.129 63.100 -0.161 0.000 0.784 680 P CB 0.523 31.979 31.700 -0.407 0.000 0.923 681 I N 2.291 122.866 120.570 0.008 0.000 2.433 681 I HA 0.369 4.539 4.170 0.001 0.000 0.292 681 I C 0.010 176.230 176.117 0.171 0.000 1.001 681 I CA -0.702 60.645 61.300 0.080 0.000 1.119 681 I CB 1.132 39.209 38.000 0.129 0.000 1.289 681 I HN 0.020 nan 8.210 nan 0.000 0.438 682 L N 3.830 125.093 121.223 0.067 0.000 2.271 682 L HA 0.659 5.000 4.340 0.001 0.000 0.265 682 L C -0.903 175.866 176.870 -0.169 0.000 1.013 682 L CA -0.815 54.029 54.840 0.006 0.000 0.820 682 L CB 1.964 44.069 42.059 0.077 0.000 1.352 682 L HN 0.538 nan 8.230 nan 0.000 0.443 683 C N 1.329 120.465 119.300 -0.273 0.000 2.298 683 C HA 0.700 5.161 4.460 0.001 0.000 0.323 683 C C 0.847 175.754 174.990 -0.137 0.000 1.284 683 C CA -0.701 58.163 59.018 -0.258 0.000 1.577 683 C CB 0.635 28.149 27.740 -0.378 0.000 2.249 683 C HN 0.857 nan 8.230 nan 0.000 0.497 684 A N 4.798 127.536 122.820 -0.137 0.000 2.351 684 A HA 0.570 4.891 4.320 0.001 0.000 0.257 684 A C -2.424 174.907 177.584 -0.421 0.000 1.087 684 A CA -0.988 50.890 52.037 -0.265 0.000 0.798 684 A CB -0.351 18.570 19.000 -0.132 0.000 1.033 684 A HN 0.694 nan 8.150 nan 0.000 0.488 685 P HA -0.066 nan 4.420 nan 0.000 0.252 685 P C -0.298 176.843 177.300 -0.266 0.000 1.147 685 P CA 1.411 64.189 63.100 -0.537 0.000 0.779 685 P CB -0.038 31.323 31.700 -0.565 0.000 0.733 686 N N 0.156 118.736 118.700 -0.199 0.000 2.967 686 N HA -0.173 4.568 4.740 0.001 0.000 0.241 686 N C -0.448 175.051 175.510 -0.018 0.000 0.983 686 N CA 1.236 54.235 53.050 -0.084 0.000 0.918 686 N CB -1.799 36.658 38.487 -0.050 0.000 1.109 686 N HN 0.484 nan 8.380 nan 0.000 0.567 687 D N -1.238 119.114 120.400 -0.081 0.000 2.613 687 D HA 0.343 4.983 4.640 0.001 0.000 0.230 687 D C -2.249 173.984 176.300 -0.111 0.000 1.365 687 D CA -1.500 52.483 54.000 -0.027 0.000 0.976 687 D CB 1.728 42.531 40.800 0.006 0.000 1.415 687 D HN -0.237 nan 8.370 nan 0.000 0.589 688 P HA -0.001 nan 4.420 nan 0.000 0.222 688 P C 0.509 177.748 177.300 -0.103 0.000 1.147 688 P CA 0.678 63.666 63.100 -0.186 0.000 0.790 688 P CB 0.495 32.054 31.700 -0.235 0.000 0.780 689 D N -1.425 118.954 120.400 -0.036 0.000 2.333 689 D HA -0.054 4.587 4.640 0.001 0.000 0.208 689 D C 0.398 176.687 176.300 -0.019 0.000 0.984 689 D CA 0.729 54.728 54.000 -0.002 0.000 0.873 689 D CB -0.453 40.374 40.800 0.046 0.000 0.935 689 D HN 0.079 nan 8.370 nan 0.000 0.521 690 D N 1.024 121.397 120.400 -0.046 0.000 2.551 690 D HA 0.220 4.861 4.640 0.001 0.000 0.223 690 D C -0.561 175.700 176.300 -0.066 0.000 1.144 690 D CA -0.145 53.827 54.000 -0.048 0.000 1.025 690 D CB -0.367 40.400 40.800 -0.056 0.000 1.085 690 D HN -0.056 nan 8.370 nan 0.000 0.506 691 A N 3.854 126.645 122.820 -0.049 0.000 2.331 691 A HA 0.682 5.002 4.320 0.001 0.000 0.283 691 A C 0.227 177.798 177.584 -0.022 0.000 1.142 691 A CA -0.394 51.613 52.037 -0.051 0.000 0.812 691 A CB 0.671 19.664 19.000 -0.013 0.000 1.074 691 A HN 0.512 nan 8.150 nan 0.000 0.497 692 R N 2.108 122.602 120.500 -0.010 0.000 2.626 692 R HA 0.449 4.790 4.340 0.001 0.000 0.274 692 R C -3.128 173.177 176.300 0.009 0.000 1.031 692 R CA -1.877 54.225 56.100 0.003 0.000 0.898 692 R CB 2.012 32.326 30.300 0.023 0.000 1.222 692 R HN 0.419 nan 8.270 nan 0.000 0.455 693 P HA 0.036 nan 4.420 nan 0.000 0.272 693 P C 0.787 178.077 177.300 -0.017 0.000 1.223 693 P CA -0.362 62.734 63.100 -0.006 0.000 0.784 693 P CB 0.749 32.443 31.700 -0.009 0.000 0.923 694 L N 1.892 123.089 121.223 -0.043 0.000 2.021 694 L HA -0.292 4.048 4.340 0.001 0.000 0.215 694 L C 2.186 179.029 176.870 -0.045 0.000 1.074 694 L CA 2.787 57.585 54.840 -0.070 0.000 0.760 694 L CB -0.834 41.159 42.059 -0.111 0.000 0.889 694 L HN 0.470 nan 8.230 nan 0.000 0.433 695 S N -0.315 115.370 115.700 -0.026 0.000 2.407 695 S HA -0.234 4.237 4.470 0.001 0.000 0.235 695 S C 1.905 176.499 174.600 -0.009 0.000 1.036 695 S CA 1.144 59.336 58.200 -0.013 0.000 1.013 695 S CB -0.659 62.538 63.200 -0.003 0.000 0.820 695 S HN 0.526 nan 8.310 nan 0.000 0.476 696 A N 0.830 123.647 122.820 -0.005 0.000 2.119 696 A HA 0.345 4.666 4.320 0.001 0.000 0.216 696 A C 2.076 179.670 177.584 0.016 0.000 1.152 696 A CA 0.934 52.975 52.037 0.006 0.000 0.708 696 A CB -0.376 18.630 19.000 0.010 0.000 0.805 696 A HN 1.159 nan 8.150 nan 0.000 0.460 697 V N -2.373 117.541 119.914 -0.001 0.000 3.398 697 V HA 0.127 4.247 4.120 0.001 0.000 0.298 697 V C 0.568 176.614 176.094 -0.080 0.000 1.496 697 V CA 0.094 62.390 62.300 -0.007 0.000 1.044 697 V CB -1.321 30.525 31.823 0.038 0.000 0.880 697 V HN 0.646 nan 8.190 nan 0.000 0.443 698 Q N 1.613 121.372 119.800 -0.068 0.000 2.354 698 Q HA 0.328 4.669 4.340 0.001 0.000 0.310 698 Q C 1.151 177.116 176.000 -0.059 0.000 1.104 698 Q CA 1.128 56.889 55.803 -0.071 0.000 0.968 698 Q CB 0.150 28.868 28.738 -0.034 0.000 1.251 698 Q HN 1.133 nan 8.270 nan 0.000 0.411 699 G N 0.731 109.493 108.800 -0.064 0.000 2.241 699 G HA2 -0.251 3.710 3.960 0.001 0.000 0.244 699 G HA3 -0.251 3.710 3.960 0.001 0.000 0.244 699 G C -0.050 174.820 174.900 -0.050 0.000 0.998 699 G CA 0.143 45.218 45.100 -0.042 0.000 0.621 699 G HN 0.683 nan 8.290 nan 0.000 0.519 700 E N 1.271 121.419 120.200 -0.086 0.000 2.414 700 E HA 0.160 4.511 4.350 0.001 0.000 0.263 700 E C 0.627 177.189 176.600 -0.063 0.000 1.000 700 E CA 0.077 56.437 56.400 -0.066 0.000 0.914 700 E CB 0.791 30.423 29.700 -0.113 0.000 0.948 700 E HN 0.497 nan 8.360 nan 0.000 0.444 701 K N 3.639 124.033 120.400 -0.010 0.000 2.298 701 K HA 0.134 4.455 4.320 0.001 0.000 0.280 701 K C -0.460 176.147 176.600 0.011 0.000 1.032 701 K CA -0.398 55.888 56.287 -0.002 0.000 0.958 701 K CB 0.462 32.972 32.500 0.016 0.000 0.978 701 K HN 0.286 nan 8.250 nan 0.000 0.472 702 I N 4.267 124.839 120.570 0.002 0.000 2.433 702 I HA 0.112 4.283 4.170 0.001 0.000 0.292 702 I C 0.544 176.687 176.117 0.043 0.000 1.001 702 I CA -0.376 60.938 61.300 0.024 0.000 1.119 702 I CB 1.595 39.592 38.000 -0.004 0.000 1.289 702 I HN 0.775 nan 8.210 nan 0.000 0.438 703 D N 3.687 124.128 120.400 0.068 0.000 2.369 703 D HA 0.099 4.740 4.640 0.001 0.000 0.231 703 D C 0.201 176.564 176.300 0.105 0.000 0.967 703 D CA 0.855 54.901 54.000 0.076 0.000 0.905 703 D CB 1.021 41.869 40.800 0.080 0.000 1.044 703 D HN 0.564 nan 8.370 nan 0.000 0.487 704 E N 0.200 120.480 120.200 0.133 0.000 2.343 704 E HA 0.558 4.909 4.350 0.001 0.000 0.270 704 E C -1.180 175.536 176.600 0.193 0.000 0.895 704 E CA -0.701 55.821 56.400 0.204 0.000 0.767 704 E CB 3.536 33.403 29.700 0.278 0.000 1.248 704 E HN -0.250 nan 8.360 nan 0.000 0.440 705 V N 2.180 122.249 119.914 0.258 0.000 2.709 705 V HA 0.438 4.559 4.120 0.001 0.000 0.308 705 V C -1.304 174.987 176.094 0.329 0.000 1.062 705 V CA -0.841 61.586 62.300 0.212 0.000 0.901 705 V CB 1.694 33.590 31.823 0.121 0.000 1.003 705 V HN 0.622 nan 8.190 nan 0.000 0.425 706 F N 5.565 125.557 119.950 0.070 0.000 2.477 706 F HA 0.732 5.260 4.527 0.001 0.000 0.335 706 F C -0.661 175.144 175.800 0.009 0.000 1.130 706 F CA -0.559 57.473 58.000 0.053 0.000 0.948 706 F CB 1.167 40.123 39.000 -0.074 0.000 1.154 706 F HN 0.355 nan 8.300 nan 0.000 0.439 707 I N 6.042 126.195 120.570 -0.695 0.000 2.382 707 I HA 0.553 4.724 4.170 0.001 0.000 0.285 707 I C 0.110 175.669 176.117 -0.930 0.000 1.007 707 I CA -0.641 60.225 61.300 -0.723 0.000 1.142 707 I CB 1.604 39.321 38.000 -0.473 0.000 1.289 707 I HN 0.899 nan 8.210 nan 0.000 0.453 708 G N 3.631 111.904 108.800 -0.878 0.000 2.556 708 G HA2 -0.066 3.895 3.960 0.001 0.000 0.231 708 G HA3 -0.066 3.895 3.960 0.001 0.000 0.231 708 G C -0.216 174.712 174.900 0.046 0.000 1.687 708 G CA -0.082 44.852 45.100 -0.276 0.000 0.917 708 G HN 0.638 nan 8.290 nan 0.000 0.492 709 S N -1.126 114.641 115.700 0.111 0.000 2.590 709 S HA 0.527 4.997 4.470 0.001 0.000 0.282 709 S C 2.183 176.902 174.600 0.199 0.000 1.136 709 S CA 0.190 58.523 58.200 0.222 0.000 1.030 709 S CB 0.598 63.903 63.200 0.174 0.000 1.195 709 S HN 1.405 nan 8.310 nan 0.000 0.506 710 C N -0.316 119.111 119.300 0.211 0.000 2.491 710 C HA 0.250 4.711 4.460 0.001 0.000 0.277 710 C C 2.216 177.416 174.990 0.350 0.000 1.455 710 C CA -0.295 58.920 59.018 0.328 0.000 1.758 710 C CB -1.746 26.279 27.740 0.476 0.000 1.745 710 C HN 0.638 nan 8.230 nan 0.000 0.558 711 M N 2.416 122.112 119.600 0.160 0.000 2.557 711 M HA 0.042 4.523 4.480 0.001 0.000 0.259 711 M C 1.114 177.494 176.300 0.132 0.000 1.086 711 M CA 0.957 56.297 55.300 0.067 0.000 1.096 711 M CB -1.126 31.437 32.600 -0.061 0.000 1.424 711 M HN 0.754 nan 8.290 nan 0.000 0.488 712 T N 0.185 114.859 114.554 0.200 0.000 2.943 712 T HA 0.600 4.951 4.350 0.001 0.000 0.284 712 T C -0.239 174.730 174.700 0.449 0.000 1.015 712 T CA -0.935 61.378 62.100 0.355 0.000 1.042 712 T CB 1.705 70.659 68.868 0.144 0.000 1.055 712 T HN 0.345 nan 8.240 nan 0.000 0.500 713 N N 0.013 119.006 118.700 0.489 0.000 2.697 713 N HA 0.380 5.121 4.740 0.001 0.000 0.272 713 N C 0.666 176.323 175.510 0.245 0.000 1.381 713 N CA -1.173 52.040 53.050 0.271 0.000 0.797 713 N CB 0.791 39.394 38.487 0.193 0.000 1.523 713 N HN 0.577 nan 8.380 nan 0.000 0.518 714 I N -0.377 120.279 120.570 0.144 0.000 2.423 714 I HA -0.133 4.038 4.170 0.001 0.000 0.254 714 I C 1.758 177.860 176.117 -0.025 0.000 1.151 714 I CA 1.853 63.218 61.300 0.107 0.000 1.421 714 I CB -0.463 37.515 38.000 -0.037 0.000 1.079 714 I HN 0.826 nan 8.210 nan 0.000 0.431 715 G N -0.331 108.335 108.800 -0.224 0.000 2.422 715 G HA2 -0.261 3.699 3.960 0.001 0.000 0.218 715 G HA3 -0.261 3.699 3.960 0.001 0.000 0.218 715 G C 1.412 176.135 174.900 -0.295 0.000 1.146 715 G CA 0.726 45.605 45.100 -0.369 0.000 0.769 715 G HN 0.453 nan 8.290 nan 0.000 0.547 716 H N -0.118 118.923 119.070 -0.049 0.000 2.387 716 H HA -0.003 4.553 4.556 0.001 0.000 0.299 716 H C 2.365 177.530 175.328 -0.271 0.000 1.090 716 H CA 0.983 56.933 56.048 -0.164 0.000 1.332 716 H CB -0.477 29.114 29.762 -0.285 0.000 1.386 716 H HN 0.445 nan 8.280 nan 0.000 0.516 717 F N 0.923 120.881 119.950 0.013 0.000 2.163 717 F HA -0.027 4.500 4.527 0.001 0.000 0.297 717 F C 2.721 178.438 175.800 -0.139 0.000 1.094 717 F CA 0.690 58.706 58.000 0.025 0.000 1.290 717 F CB -0.157 38.877 39.000 0.057 0.000 1.017 717 F HN -0.042 nan 8.300 nan 0.000 0.483 718 R N 0.266 120.613 120.500 -0.256 0.000 2.083 718 R HA -0.166 4.175 4.340 0.001 0.000 0.237 718 R C 2.442 178.564 176.300 -0.296 0.000 1.137 718 R CA 1.301 57.023 56.100 -0.631 0.000 0.951 718 R CB -0.944 29.007 30.300 -0.581 0.000 0.851 718 R HN 0.309 nan 8.270 nan 0.000 0.434 719 A N 1.395 124.060 122.820 -0.258 0.000 1.865 719 A HA -0.164 4.157 4.320 0.001 0.000 0.217 719 A C 2.425 180.000 177.584 -0.015 0.000 1.191 719 A CA 1.878 53.822 52.037 -0.154 0.000 0.623 719 A CB -0.780 18.155 19.000 -0.109 0.000 0.826 719 A HN 0.415 nan 8.150 nan 0.000 0.444 720 A N -0.551 122.284 122.820 0.025 0.000 1.883 720 A HA 0.067 4.388 4.320 0.001 0.000 0.217 720 A C 2.484 180.174 177.584 0.177 0.000 1.186 720 A CA 2.175 54.278 52.037 0.109 0.000 0.624 720 A CB -1.564 17.514 19.000 0.130 0.000 0.822 720 A HN 0.835 nan 8.150 nan 0.000 0.444 721 G N -0.429 108.477 108.800 0.177 0.000 2.446 721 G HA2 -0.281 3.680 3.960 0.001 0.000 0.217 721 G HA3 -0.281 3.680 3.960 0.001 0.000 0.217 721 G C 1.687 176.665 174.900 0.130 0.000 1.168 721 G CA 1.236 46.392 45.100 0.094 0.000 0.771 721 G HN 0.586 nan 8.290 nan 0.000 0.551 722 K N -0.237 120.247 120.400 0.141 0.000 2.097 722 K HA 0.086 4.407 4.320 0.001 0.000 0.206 722 K C 2.513 179.160 176.600 0.078 0.000 1.049 722 K CA 0.647 56.992 56.287 0.096 0.000 0.933 722 K CB -0.241 32.296 32.500 0.062 0.000 0.717 722 K HN 0.272 nan 8.250 nan 0.000 0.442 723 L N 0.341 121.622 121.223 0.097 0.000 2.093 723 L HA -0.192 4.149 4.340 0.001 0.000 0.208 723 L C 2.006 178.985 176.870 0.181 0.000 1.085 723 L CA 0.602 55.528 54.840 0.143 0.000 0.755 723 L CB -0.236 41.891 42.059 0.113 0.000 0.904 723 L HN 0.117 nan 8.230 nan 0.000 0.435 724 L N -0.531 120.776 121.223 0.140 0.000 2.109 724 L HA -0.170 4.171 4.340 0.001 0.000 0.207 724 L C 2.077 179.004 176.870 0.096 0.000 1.086 724 L CA 1.576 56.499 54.840 0.137 0.000 0.760 724 L CB -0.792 41.353 42.059 0.142 0.000 0.910 724 L HN 0.185 nan 8.230 nan 0.000 0.437 725 D N -0.687 119.739 120.400 0.044 0.000 2.219 725 D HA -0.103 4.538 4.640 0.001 0.000 0.205 725 D C 2.129 178.414 176.300 -0.025 0.000 0.970 725 D CA 1.037 55.033 54.000 -0.007 0.000 0.851 725 D CB 0.273 41.045 40.800 -0.045 0.000 0.943 725 D HN 0.249 nan 8.370 nan 0.000 0.488 726 A N -0.829 121.969 122.820 -0.037 0.000 2.014 726 A HA -0.070 4.251 4.320 0.001 0.000 0.218 726 A C 0.610 177.996 177.584 -0.330 0.000 1.163 726 A CA 0.732 52.659 52.037 -0.184 0.000 0.652 726 A CB -0.204 18.662 19.000 -0.225 0.000 0.808 726 A HN 0.324 nan 8.150 nan 0.000 0.449 727 H N 0.843 119.947 119.070 0.058 0.000 2.439 727 H HA 0.236 4.793 4.556 0.001 0.000 0.239 727 H C -0.689 174.664 175.328 0.042 0.000 1.432 727 H CA -0.496 55.590 56.048 0.064 0.000 1.373 727 H CB 0.135 29.957 29.762 0.100 0.000 1.463 727 H HN 0.371 nan 8.280 nan 0.000 0.530 728 K N 1.056 121.506 120.400 0.084 0.000 2.414 728 K HA 0.333 4.654 4.320 0.001 0.000 0.272 728 K C 0.795 177.436 176.600 0.068 0.000 0.993 728 K CA 0.521 56.842 56.287 0.057 0.000 0.964 728 K CB 0.706 33.219 32.500 0.022 0.000 0.925 728 K HN 0.820 nan 8.250 nan 0.000 0.487 729 G N 1.075 109.907 108.800 0.053 0.000 2.392 729 G HA2 -0.131 3.830 3.960 0.001 0.000 0.677 729 G HA3 -0.131 3.830 3.960 0.001 0.000 0.677 729 G C -1.472 173.455 174.900 0.046 0.000 1.334 729 G CA -1.005 44.123 45.100 0.047 0.000 0.961 729 G HN 0.486 nan 8.290 nan 0.000 0.616 730 Q N -0.328 119.494 119.800 0.036 0.000 2.259 730 Q HA 0.547 4.888 4.340 0.001 0.000 0.249 730 Q C 0.615 176.634 176.000 0.030 0.000 0.914 730 Q CA -0.484 55.338 55.803 0.032 0.000 0.904 730 Q CB 1.483 30.234 28.738 0.022 0.000 1.213 730 Q HN 0.517 nan 8.270 nan 0.000 0.428 731 L N 3.443 124.684 121.223 0.030 0.000 2.461 731 L HA 0.045 4.386 4.340 0.001 0.000 0.272 731 L C -1.417 175.463 176.870 0.016 0.000 1.197 731 L CA -1.203 53.651 54.840 0.023 0.000 0.836 731 L CB -0.027 42.048 42.059 0.027 0.000 1.105 731 L HN 0.539 nan 8.230 nan 0.000 0.477 732 P HA 0.002 nan 4.420 nan 0.000 0.236 732 P C 0.090 177.400 177.300 0.017 0.000 1.177 732 P CA 0.449 63.556 63.100 0.011 0.000 0.773 732 P CB 0.113 31.815 31.700 0.004 0.000 0.878 733 T N -3.319 111.248 114.554 0.020 0.000 2.940 733 T HA 0.425 4.776 4.350 0.001 0.000 0.288 733 T C -0.290 174.432 174.700 0.037 0.000 1.045 733 T CA -1.124 60.999 62.100 0.037 0.000 1.018 733 T CB 1.898 70.793 68.868 0.045 0.000 1.151 733 T HN -0.219 nan 8.240 nan 0.000 0.529 734 R N 1.159 121.695 120.500 0.061 0.000 2.196 734 R HA 0.448 4.789 4.340 0.001 0.000 0.340 734 R C -1.262 175.085 176.300 0.078 0.000 1.043 734 R CA -0.734 55.382 56.100 0.026 0.000 0.883 734 R CB 0.251 30.585 30.300 0.056 0.000 1.078 734 R HN 0.585 nan 8.270 nan 0.000 0.462 735 L N 6.194 127.419 121.223 0.003 0.000 2.282 735 L HA 0.442 4.783 4.340 0.001 0.000 0.288 735 L C -1.663 175.223 176.870 0.027 0.000 1.033 735 L CA -0.376 54.509 54.840 0.075 0.000 0.807 735 L CB 0.830 42.914 42.059 0.042 0.000 1.209 735 L HN 0.517 nan 8.230 nan 0.000 0.423 736 W N 5.270 126.613 121.300 0.072 0.000 2.376 736 W HA 0.650 5.310 4.660 0.001 0.000 0.312 736 W C -0.790 175.732 176.519 0.005 0.000 1.060 736 W CA -0.678 56.743 57.345 0.127 0.000 1.221 736 W CB 1.585 31.261 29.460 0.359 0.000 1.281 736 W HN 0.197 nan 8.180 nan 0.000 0.456 737 V N 3.540 123.515 119.914 0.102 0.000 2.448 737 V HA 0.815 4.935 4.120 0.001 0.000 0.295 737 V C -0.227 175.889 176.094 0.037 0.000 1.025 737 V CA -1.047 61.204 62.300 -0.082 0.000 0.859 737 V CB 1.424 32.953 31.823 -0.491 0.000 0.988 737 V HN 0.603 nan 8.190 nan 0.000 0.431 738 A N 7.025 129.907 122.820 0.105 0.000 2.745 738 A HA 0.768 5.089 4.320 0.001 0.000 0.301 738 A C -2.947 174.697 177.584 0.098 0.000 1.188 738 A CA -1.477 50.646 52.037 0.143 0.000 0.746 738 A CB 1.019 20.223 19.000 0.340 0.000 1.207 738 A HN 0.592 nan 8.150 nan 0.000 0.432 739 P HA 0.104 nan 4.420 nan 0.000 0.266 739 P C -1.756 175.542 177.300 -0.003 0.000 1.195 739 P CA -0.882 61.978 63.100 -0.401 0.000 0.768 739 P CB 0.727 32.182 31.700 -0.409 0.000 0.838 740 P HA -0.081 nan 4.420 nan 0.000 0.221 740 P C 0.273 177.672 177.300 0.166 0.000 1.150 740 P CA 1.481 64.679 63.100 0.164 0.000 0.800 740 P CB 0.180 31.999 31.700 0.198 0.000 0.787 741 T N -3.874 110.751 114.554 0.119 0.000 2.865 741 T HA 0.432 4.783 4.350 0.001 0.000 0.294 741 T C 1.108 175.904 174.700 0.161 0.000 1.119 741 T CA -0.969 61.242 62.100 0.184 0.000 1.007 741 T CB 2.113 70.979 68.868 -0.003 0.000 1.225 741 T HN 0.013 nan 8.240 nan 0.000 0.515 742 R N 0.107 120.762 120.500 0.259 0.000 2.189 742 R HA 0.081 4.421 4.340 0.001 0.000 0.218 742 R C 1.627 178.024 176.300 0.161 0.000 1.074 742 R CA 0.956 57.187 56.100 0.219 0.000 0.991 742 R CB -0.785 29.688 30.300 0.288 0.000 0.883 742 R HN 0.507 nan 8.270 nan 0.000 0.457 743 M N 1.839 121.511 119.600 0.120 0.000 2.132 743 M HA -0.076 4.405 4.480 0.001 0.000 0.263 743 M C 1.495 177.829 176.300 0.057 0.000 1.065 743 M CA 1.666 57.025 55.300 0.099 0.000 1.122 743 M CB -0.219 32.405 32.600 0.041 0.000 1.365 743 M HN 0.098 nan 8.290 nan 0.000 0.411 744 D N 0.215 120.622 120.400 0.012 0.000 2.097 744 D HA -0.115 4.526 4.640 0.001 0.000 0.195 744 D C 2.061 178.341 176.300 -0.034 0.000 0.989 744 D CA 1.753 55.734 54.000 -0.032 0.000 0.827 744 D CB -0.160 40.601 40.800 -0.065 0.000 0.966 744 D HN 0.383 nan 8.370 nan 0.000 0.456 745 A N 1.517 124.335 122.820 -0.003 0.000 1.877 745 A HA -0.087 4.233 4.320 0.001 0.000 0.216 745 A C 2.384 179.910 177.584 -0.096 0.000 1.186 745 A CA 2.275 54.319 52.037 0.013 0.000 0.620 745 A CB -0.706 18.349 19.000 0.092 0.000 0.822 745 A HN 0.249 nan 8.150 nan 0.000 0.443 746 A N -1.119 121.682 122.820 -0.032 0.000 1.902 746 A HA -0.197 4.124 4.320 0.001 0.000 0.217 746 A C 2.163 179.718 177.584 -0.049 0.000 1.181 746 A CA 2.173 54.184 52.037 -0.044 0.000 0.623 746 A CB -0.486 18.536 19.000 0.036 0.000 0.818 746 A HN 0.544 nan 8.150 nan 0.000 0.443 747 Q N -0.853 118.940 119.800 -0.012 0.000 2.083 747 Q HA -0.059 4.282 4.340 0.001 0.000 0.198 747 Q C 1.782 177.785 176.000 0.006 0.000 0.969 747 Q CA 1.187 56.987 55.803 -0.004 0.000 0.838 747 Q CB -0.402 28.327 28.738 -0.015 0.000 0.900 747 Q HN 0.404 nan 8.270 nan 0.000 0.436 748 L N 0.037 121.265 121.223 0.009 0.000 2.042 748 L HA -0.156 4.185 4.340 0.001 0.000 0.210 748 L C 2.173 179.075 176.870 0.053 0.000 1.076 748 L CA 2.090 57.001 54.840 0.119 0.000 0.749 748 L CB -1.371 40.816 42.059 0.213 0.000 0.893 748 L HN 0.277 nan 8.230 nan 0.000 0.432 749 T N -1.314 113.095 114.554 -0.241 0.000 2.737 749 T HA -0.201 4.150 4.350 0.001 0.000 0.265 749 T C 1.775 176.398 174.700 -0.129 0.000 1.038 749 T CA 1.374 63.256 62.100 -0.363 0.000 1.144 749 T CB -0.033 68.533 68.868 -0.502 0.000 0.866 749 T HN 0.238 nan 8.240 nan 0.000 0.434 750 E N 1.523 121.672 120.200 -0.086 0.000 2.097 750 E HA -0.180 4.171 4.350 0.001 0.000 0.196 750 E C 1.863 178.447 176.600 -0.026 0.000 1.000 750 E CA 1.524 57.899 56.400 -0.043 0.000 0.804 750 E CB -0.147 29.540 29.700 -0.022 0.000 0.740 750 E HN 0.577 nan 8.360 nan 0.000 0.454 751 E N -1.658 118.551 120.200 0.014 0.000 2.502 751 E HA 0.109 4.460 4.350 0.001 0.000 0.194 751 E C 0.905 177.433 176.600 -0.119 0.000 1.062 751 E CA 0.373 56.779 56.400 0.009 0.000 0.867 751 E CB 0.264 30.059 29.700 0.157 0.000 0.888 751 E HN 0.451 nan 8.360 nan 0.000 0.510 752 G N 0.626 109.373 108.800 -0.088 0.000 2.157 752 G HA2 -0.320 3.641 3.960 0.001 0.000 0.239 752 G HA3 -0.320 3.641 3.960 0.001 0.000 0.239 752 G C 0.494 175.278 174.900 -0.194 0.000 0.982 752 G CA 0.139 45.148 45.100 -0.153 0.000 0.650 752 G HN 0.342 nan 8.290 nan 0.000 0.527 753 Y N -0.613 119.675 120.300 -0.021 0.000 2.439 753 Y HA 0.088 4.639 4.550 0.001 0.000 0.292 753 Y C 2.589 178.449 175.900 -0.068 0.000 1.130 753 Y CA 1.587 59.614 58.100 -0.121 0.000 1.254 753 Y CB -0.205 38.200 38.460 -0.092 0.000 1.000 753 Y HN 0.499 nan 8.280 nan 0.000 0.554 754 Y N -1.675 118.666 120.300 0.068 0.000 2.293 754 Y HA -0.292 4.259 4.550 0.001 0.000 0.291 754 Y C 2.813 178.752 175.900 0.066 0.000 1.137 754 Y CA 0.716 58.911 58.100 0.159 0.000 1.202 754 Y CB -0.169 38.382 38.460 0.150 0.000 0.990 754 Y HN 0.081 nan 8.280 nan 0.000 0.537 755 S N -0.255 115.523 115.700 0.131 0.000 2.359 755 S HA -0.185 4.286 4.470 0.001 0.000 0.224 755 S C 2.039 176.631 174.600 -0.013 0.000 1.035 755 S CA 1.552 59.775 58.200 0.039 0.000 1.018 755 S CB -0.677 62.511 63.200 -0.020 0.000 0.876 755 S HN 0.216 nan 8.310 nan 0.000 0.448 756 V N 1.316 121.162 119.914 -0.113 0.000 2.261 756 V HA -0.121 4.000 4.120 0.001 0.000 0.246 756 V C 2.217 178.268 176.094 -0.071 0.000 1.047 756 V CA 2.028 64.232 62.300 -0.159 0.000 1.015 756 V CB -1.047 30.603 31.823 -0.290 0.000 0.642 756 V HN 0.474 nan 8.190 nan 0.000 0.446 757 F N 1.587 121.578 119.950 0.068 0.000 2.134 757 F HA -0.036 4.491 4.527 0.001 0.000 0.299 757 F C 2.465 178.258 175.800 -0.012 0.000 1.097 757 F CA 1.256 59.263 58.000 0.012 0.000 1.264 757 F CB -1.655 37.307 39.000 -0.063 0.000 1.001 757 F HN 0.188 nan 8.300 nan 0.000 0.479 758 G N -0.128 108.771 108.800 0.165 0.000 2.446 758 G HA2 -0.254 3.707 3.960 0.001 0.000 0.217 758 G HA3 -0.254 3.707 3.960 0.001 0.000 0.217 758 G C 1.765 176.704 174.900 0.066 0.000 1.168 758 G CA 0.746 45.901 45.100 0.092 0.000 0.771 758 G HN 0.286 nan 8.290 nan 0.000 0.551 759 K N 0.783 121.217 120.400 0.056 0.000 2.211 759 K HA -0.054 4.267 4.320 0.001 0.000 0.203 759 K C 2.809 179.437 176.600 0.046 0.000 1.050 759 K CA 1.287 57.597 56.287 0.038 0.000 0.945 759 K CB -0.058 32.454 32.500 0.021 0.000 0.732 759 K HN 0.466 nan 8.250 nan 0.000 0.451 760 S N -0.658 115.085 115.700 0.071 0.000 2.522 760 S HA 0.046 4.517 4.470 0.001 0.000 0.227 760 S C 1.434 176.068 174.600 0.058 0.000 0.986 760 S CA 0.640 58.886 58.200 0.077 0.000 0.929 760 S CB 0.183 63.457 63.200 0.123 0.000 0.769 760 S HN 0.437 nan 8.310 nan 0.000 0.529 761 G N 0.509 109.336 108.800 0.046 0.000 2.176 761 G HA2 -0.062 3.899 3.960 0.001 0.000 0.232 761 G HA3 -0.062 3.899 3.960 0.001 0.000 0.232 761 G C 0.282 175.174 174.900 -0.014 0.000 0.986 761 G CA -0.062 45.046 45.100 0.012 0.000 0.643 761 G HN 1.252 nan 8.290 nan 0.000 0.522 762 A N -0.026 122.803 122.820 0.014 0.000 2.466 762 A HA 0.644 4.965 4.320 0.001 0.000 0.238 762 A C 0.750 178.277 177.584 -0.096 0.000 1.074 762 A CA 0.427 52.442 52.037 -0.036 0.000 0.774 762 A CB 0.277 19.280 19.000 0.005 0.000 1.015 762 A HN 0.524 nan 8.150 nan 0.000 0.498 763 R N 1.148 121.540 120.500 -0.180 0.000 2.229 763 R HA 0.467 4.807 4.340 0.001 0.000 0.328 763 R C -1.116 175.109 176.300 -0.124 0.000 1.009 763 R CA -0.200 55.775 56.100 -0.207 0.000 0.864 763 R CB 0.478 30.498 30.300 -0.467 0.000 1.085 763 R HN 0.700 nan 8.270 nan 0.000 0.453 764 I N 4.366 124.875 120.570 -0.100 0.000 2.312 764 I HA 0.178 4.349 4.170 0.001 0.000 0.290 764 I C 0.256 176.381 176.117 0.013 0.000 1.008 764 I CA -0.537 60.694 61.300 -0.115 0.000 1.226 764 I CB 1.356 39.192 38.000 -0.272 0.000 1.371 764 I HN 0.373 nan 8.210 nan 0.000 0.468 765 E N 5.572 125.831 120.200 0.098 0.000 2.283 765 E HA 0.348 4.698 4.350 0.001 0.000 0.267 765 E C -0.250 176.416 176.600 0.110 0.000 1.045 765 E CA -0.781 55.716 56.400 0.161 0.000 0.884 765 E CB 2.134 32.014 29.700 0.300 0.000 1.106 765 E HN 0.496 nan 8.360 nan 0.000 0.408 766 I N -1.559 119.058 120.570 0.077 0.000 2.779 766 I HA 0.210 4.381 4.170 0.001 0.000 0.285 766 I C -2.252 173.922 176.117 0.095 0.000 1.134 766 I CA -1.907 59.437 61.300 0.074 0.000 1.398 766 I CB -0.472 37.544 38.000 0.027 0.000 1.404 766 I HN 0.087 nan 8.210 nan 0.000 0.587 767 P HA 0.342 nan 4.420 nan 0.000 0.261 767 P C 0.055 177.435 177.300 0.133 0.000 1.183 767 P CA 0.486 63.667 63.100 0.134 0.000 0.761 767 P CB 0.192 31.994 31.700 0.170 0.000 0.785 768 G N 1.171 110.053 108.800 0.136 0.000 2.337 768 G HA2 0.023 3.984 3.960 0.001 0.000 0.298 768 G HA3 0.023 3.984 3.960 0.001 0.000 0.298 768 G C 0.556 175.509 174.900 0.089 0.000 1.335 768 G CA -0.510 44.649 45.100 0.099 0.000 0.875 768 G HN 0.366 nan 8.290 nan 0.000 0.579 769 C N -0.119 119.168 119.300 -0.022 0.000 2.435 769 C HA 0.335 4.796 4.460 0.001 0.000 0.279 769 C C 2.283 177.299 174.990 0.042 0.000 1.321 769 C CA 1.560 60.544 59.018 -0.055 0.000 1.752 769 C CB -1.204 26.328 27.740 -0.347 0.000 1.959 769 C HN 1.867 nan 8.230 nan 0.000 0.500 770 S N -0.338 115.398 115.700 0.060 0.000 3.469 770 S HA -0.295 4.176 4.470 0.001 0.000 0.628 770 S C 0.812 175.309 174.600 -0.172 0.000 2.687 770 S CA 1.282 59.515 58.200 0.056 0.000 3.829 770 S CB -1.307 62.031 63.200 0.230 0.000 0.258 770 S HN 0.525 nan 8.310 nan 0.000 1.222 771 L N 0.861 121.767 121.223 -0.529 0.000 2.263 771 L HA -0.148 4.193 4.340 0.001 0.000 0.216 771 L C 2.902 179.415 176.870 -0.594 0.000 1.111 771 L CA 1.533 55.912 54.840 -0.767 0.000 0.773 771 L CB -0.836 40.404 42.059 -1.365 0.000 0.906 771 L HN 0.780 nan 8.230 nan 0.000 0.439 772 C N -0.079 118.929 119.300 -0.487 0.000 2.396 772 C HA -0.265 4.195 4.460 0.001 0.000 0.277 772 C C 2.789 177.721 174.990 -0.095 0.000 1.231 772 C CA 1.490 60.386 59.018 -0.204 0.000 1.775 772 C CB -0.355 27.371 27.740 -0.024 0.000 2.036 772 C HN 0.584 nan 8.230 nan 0.000 0.484 773 M N -0.768 118.799 119.600 -0.055 0.000 2.466 773 M HA 0.191 4.672 4.480 0.001 0.000 0.265 773 M C 1.487 177.796 176.300 0.016 0.000 1.122 773 M CA 1.406 56.734 55.300 0.047 0.000 1.157 773 M CB -0.007 32.687 32.600 0.157 0.000 1.352 773 M HN 0.534 nan 8.290 nan 0.000 0.464 774 G N 1.879 110.648 108.800 -0.052 0.000 2.160 774 G HA2 -0.339 3.622 3.960 0.001 0.000 0.251 774 G HA3 -0.339 3.622 3.960 0.001 0.000 0.251 774 G C 0.175 175.083 174.900 0.014 0.000 1.008 774 G CA 0.853 45.919 45.100 -0.057 0.000 0.724 774 G HN 0.775 nan 8.290 nan 0.000 0.514 775 N N -1.726 117.011 118.700 0.061 0.000 2.373 775 N HA 0.197 4.937 4.740 0.001 0.000 0.181 775 N C 1.501 177.082 175.510 0.118 0.000 1.082 775 N CA 0.780 53.895 53.050 0.108 0.000 0.885 775 N CB 0.113 38.690 38.487 0.149 0.000 0.977 775 N HN 0.581 nan 8.380 nan 0.000 0.462 776 Q N 0.264 120.126 119.800 0.103 0.000 1.989 776 Q HA 0.413 4.753 4.340 0.001 0.000 0.166 776 Q C -0.261 175.754 176.000 0.025 0.000 0.536 776 Q CA -0.455 55.422 55.803 0.124 0.000 0.651 776 Q CB 0.104 29.008 28.738 0.277 0.000 1.468 776 Q HN 0.218 nan 8.270 nan 0.000 0.350 777 A N 1.439 124.279 122.820 0.033 0.000 2.445 777 A HA 0.370 4.691 4.320 0.001 0.000 0.242 777 A C -0.389 177.107 177.584 -0.146 0.000 1.075 777 A CA 0.364 52.355 52.037 -0.078 0.000 0.777 777 A CB 0.150 19.197 19.000 0.078 0.000 1.013 777 A HN 0.302 nan 8.150 nan 0.000 0.493 778 R N 1.027 121.446 120.500 -0.135 0.000 2.771 778 R HA 0.539 4.880 4.340 0.001 0.000 0.274 778 R C -1.048 175.169 176.300 -0.138 0.000 0.987 778 R CA -0.922 55.072 56.100 -0.177 0.000 0.908 778 R CB 1.940 32.190 30.300 -0.084 0.000 1.213 778 R HN 0.505 nan 8.270 nan 0.000 0.468 779 V N 1.488 121.287 119.914 -0.192 0.000 3.133 779 V HA 0.300 4.421 4.120 0.001 0.000 0.305 779 V C 0.346 176.462 176.094 0.037 0.000 1.084 779 V CA -0.031 62.235 62.300 -0.056 0.000 1.089 779 V CB 1.487 33.230 31.823 -0.133 0.000 1.073 779 V HN 0.943 nan 8.190 nan 0.000 0.477 780 A N 2.986 125.865 122.820 0.098 0.000 2.498 780 A HA 0.198 4.519 4.320 0.001 0.000 0.239 780 A C 0.046 177.654 177.584 0.041 0.000 1.068 780 A CA -0.446 51.635 52.037 0.072 0.000 0.766 780 A CB -0.263 18.788 19.000 0.085 0.000 1.003 780 A HN 0.885 nan 8.150 nan 0.000 0.497 781 D N 1.194 121.613 120.400 0.031 0.000 2.571 781 D HA 0.311 4.952 4.640 0.001 0.000 0.231 781 D C 1.464 177.778 176.300 0.024 0.000 1.133 781 D CA 2.051 56.064 54.000 0.021 0.000 0.862 781 D CB 0.190 41.001 40.800 0.019 0.000 1.179 781 D HN 1.144 nan 8.370 nan 0.000 0.474 782 G N 1.002 109.813 108.800 0.018 0.000 2.175 782 G HA2 -0.220 3.740 3.960 0.001 0.000 0.265 782 G HA3 -0.220 3.740 3.960 0.001 0.000 0.265 782 G C 0.554 175.472 174.900 0.030 0.000 0.979 782 G CA 0.515 45.627 45.100 0.020 0.000 0.663 782 G HN 0.877 nan 8.290 nan 0.000 0.533 783 A N -0.326 122.516 122.820 0.035 0.000 2.386 783 A HA 0.665 4.985 4.320 0.001 0.000 0.248 783 A C 0.717 178.334 177.584 0.056 0.000 1.082 783 A CA 1.032 53.100 52.037 0.052 0.000 0.789 783 A CB 0.460 19.500 19.000 0.066 0.000 1.025 783 A HN 0.715 nan 8.150 nan 0.000 0.490 784 T N 1.557 116.158 114.554 0.079 0.000 2.767 784 T HA 0.524 4.874 4.350 0.001 0.000 0.288 784 T C -0.328 174.450 174.700 0.131 0.000 0.963 784 T CA -0.216 61.954 62.100 0.116 0.000 1.019 784 T CB 0.794 69.747 68.868 0.143 0.000 0.923 784 T HN 0.471 nan 8.240 nan 0.000 0.468 785 V N 3.421 123.427 119.914 0.154 0.000 2.735 785 V HA 0.532 4.652 4.120 0.001 0.000 0.310 785 V C -0.370 175.841 176.094 0.195 0.000 1.061 785 V CA -0.909 61.474 62.300 0.139 0.000 0.913 785 V CB 2.285 34.150 31.823 0.070 0.000 1.005 785 V HN 0.656 nan 8.190 nan 0.000 0.428 786 V N 2.744 122.747 119.914 0.147 0.000 2.384 786 V HA 0.645 4.766 4.120 0.001 0.000 0.287 786 V C 0.058 176.224 176.094 0.120 0.000 1.020 786 V CA -0.077 62.302 62.300 0.132 0.000 0.850 786 V CB 1.554 33.409 31.823 0.054 0.000 0.987 786 V HN 0.916 nan 8.190 nan 0.000 0.436 787 S N 2.613 118.383 115.700 0.118 0.000 2.526 787 S HA 0.480 4.951 4.470 0.001 0.000 0.293 787 S C 0.780 175.431 174.600 0.085 0.000 1.092 787 S CA 0.112 58.399 58.200 0.145 0.000 0.980 787 S CB 2.010 65.304 63.200 0.157 0.000 1.048 787 S HN 0.932 nan 8.310 nan 0.000 0.483 788 T N 0.430 115.009 114.554 0.042 0.000 3.144 788 T HA 0.222 4.572 4.350 0.001 0.000 0.249 788 T C 0.978 175.687 174.700 0.015 0.000 1.089 788 T CA 0.199 62.272 62.100 -0.046 0.000 0.989 788 T CB -0.532 68.211 68.868 -0.209 0.000 0.992 788 T HN 0.639 nan 8.240 nan 0.000 0.540 789 S N 1.765 117.548 115.700 0.140 0.000 2.633 789 S HA 0.200 4.671 4.470 0.001 0.000 0.257 789 S C 1.590 176.194 174.600 0.007 0.000 1.265 789 S CA 0.185 58.460 58.200 0.124 0.000 0.980 789 S CB 0.505 63.800 63.200 0.158 0.000 1.017 789 S HN 0.469 nan 8.310 nan 0.000 0.577 790 T N -2.180 112.343 114.554 -0.053 0.000 3.051 790 T HA 0.282 4.633 4.350 0.001 0.000 0.255 790 T C 0.532 175.173 174.700 -0.099 0.000 1.085 790 T CA -0.076 61.977 62.100 -0.080 0.000 1.109 790 T CB -0.305 68.444 68.868 -0.199 0.000 0.921 790 T HN 0.629 nan 8.240 nan 0.000 0.488 791 R N 1.993 122.405 120.500 -0.147 0.000 2.574 791 R HA 0.449 4.790 4.340 0.001 0.000 0.288 791 R C -0.828 175.279 176.300 -0.321 0.000 1.004 791 R CA -0.661 55.226 56.100 -0.355 0.000 0.895 791 R CB 1.075 31.161 30.300 -0.357 0.000 1.191 791 R HN 0.207 nan 8.270 nan 0.000 0.444 792 N N 2.925 121.370 118.700 -0.424 0.000 2.401 792 N HA 0.064 4.804 4.740 0.001 0.000 0.264 792 N C -0.576 174.836 175.510 -0.163 0.000 1.238 792 N CA -0.404 52.502 53.050 -0.240 0.000 0.889 792 N CB 0.072 38.437 38.487 -0.202 0.000 1.196 792 N HN 0.344 nan 8.380 nan 0.000 0.511 793 F N 1.238 121.165 119.950 -0.038 0.000 2.589 793 F HA 0.169 4.697 4.527 0.001 0.000 0.352 793 F C -1.353 174.421 175.800 -0.043 0.000 1.168 793 F CA -1.643 56.335 58.000 -0.037 0.000 1.353 793 F CB 0.103 39.092 39.000 -0.018 0.000 1.116 793 F HN -0.077 nan 8.300 nan 0.000 0.608 794 P HA -0.043 nan 4.420 nan 0.000 0.265 794 P C -0.423 176.913 177.300 0.060 0.000 1.193 794 P CA 0.410 63.550 63.100 0.067 0.000 0.765 794 P CB 0.298 32.022 31.700 0.040 0.000 0.823 795 N N -0.015 118.701 118.700 0.027 0.000 2.782 795 N HA -0.203 4.537 4.740 0.001 0.000 0.251 795 N C 1.006 176.529 175.510 0.023 0.000 1.101 795 N CA 0.972 54.033 53.050 0.018 0.000 0.764 795 N CB -1.197 37.301 38.487 0.019 0.000 1.122 795 N HN 0.455 nan 8.380 nan 0.000 0.561 796 R N 0.830 121.348 120.500 0.029 0.000 2.048 796 R HA 0.230 4.571 4.340 0.001 0.000 0.224 796 R C 2.152 178.427 176.300 -0.042 0.000 1.163 796 R CA 0.798 56.914 56.100 0.027 0.000 0.956 796 R CB -0.359 29.976 30.300 0.058 0.000 0.849 796 R HN 0.249 nan 8.270 nan 0.000 0.435 797 L N -0.455 120.715 121.223 -0.087 0.000 2.240 797 L HA 0.268 4.609 4.340 0.001 0.000 0.211 797 L C 0.846 177.628 176.870 -0.146 0.000 1.106 797 L CA 1.048 55.786 54.840 -0.170 0.000 0.793 797 L CB -0.380 41.558 42.059 -0.202 0.000 0.927 797 L HN 0.485 nan 8.230 nan 0.000 0.446 798 G N -1.236 107.516 108.800 -0.081 0.000 2.576 798 G HA2 0.285 4.245 3.960 0.001 0.000 0.290 798 G HA3 0.285 4.245 3.960 0.001 0.000 0.290 798 G C -1.130 173.756 174.900 -0.023 0.000 1.442 798 G CA -0.470 44.598 45.100 -0.053 0.000 0.792 798 G HN -0.225 nan 8.290 nan 0.000 0.491 799 T N 0.798 115.346 114.554 -0.010 0.000 2.761 799 T HA 0.452 4.803 4.350 0.001 0.000 0.296 799 T C 1.457 176.157 174.700 0.000 0.000 0.934 799 T CA 1.549 63.648 62.100 -0.001 0.000 1.091 799 T CB 0.790 69.662 68.868 0.005 0.000 0.896 799 T HN 2.131 nan 8.240 nan 0.000 0.515 800 G N 2.768 111.567 108.800 -0.000 0.000 2.187 800 G HA2 -0.140 3.820 3.960 0.001 0.000 0.261 800 G HA3 -0.140 3.820 3.960 0.001 0.000 0.261 800 G C 0.311 175.208 174.900 -0.004 0.000 1.000 800 G CA -0.024 45.075 45.100 -0.001 0.000 0.718 800 G HN 1.145 nan 8.290 nan 0.000 0.519 801 A N -0.281 122.534 122.820 -0.009 0.000 2.371 801 A HA 0.615 4.936 4.320 0.001 0.000 0.257 801 A C 0.371 177.939 177.584 -0.027 0.000 1.089 801 A CA -0.318 51.712 52.037 -0.011 0.000 0.794 801 A CB 0.372 19.360 19.000 -0.020 0.000 1.029 801 A HN 0.336 nan 8.150 nan 0.000 0.488 802 N N 1.142 119.827 118.700 -0.026 0.000 2.444 802 N HA 0.433 5.174 4.740 0.001 0.000 0.262 802 N C -1.372 174.087 175.510 -0.085 0.000 0.974 802 N CA -0.157 52.846 53.050 -0.077 0.000 0.933 802 N CB 1.824 40.270 38.487 -0.067 0.000 1.137 802 N HN 0.299 nan 8.380 nan 0.000 0.498 803 V N 3.483 123.302 119.914 -0.158 0.000 2.409 803 V HA 0.447 4.568 4.120 0.001 0.000 0.291 803 V C -0.378 175.596 176.094 -0.201 0.000 1.020 803 V CA -0.729 61.510 62.300 -0.101 0.000 0.848 803 V CB 0.665 32.443 31.823 -0.075 0.000 0.990 803 V HN 0.407 nan 8.190 nan 0.000 0.430 804 F N 4.582 124.505 119.950 -0.043 0.000 2.404 804 F HA 0.534 5.062 4.527 0.001 0.000 0.345 804 F C 0.031 175.796 175.800 -0.059 0.000 1.110 804 F CA -0.564 57.401 58.000 -0.058 0.000 1.130 804 F CB 1.286 40.260 39.000 -0.044 0.000 1.129 804 F HN 0.206 nan 8.300 nan 0.000 0.500 805 L N 3.214 124.474 121.223 0.062 0.000 2.312 805 L HA 0.769 5.110 4.340 0.001 0.000 0.281 805 L C 0.030 176.965 176.870 0.109 0.000 1.070 805 L CA -0.375 54.484 54.840 0.032 0.000 0.805 805 L CB 0.725 42.732 42.059 -0.087 0.000 1.174 805 L HN 0.797 nan 8.230 nan 0.000 0.434 806 A N 1.424 124.333 122.820 0.148 0.000 2.564 806 A HA 0.713 5.033 4.320 0.001 0.000 0.291 806 A C -0.558 177.042 177.584 0.026 0.000 1.102 806 A CA -0.149 51.972 52.037 0.140 0.000 0.660 806 A CB 0.859 19.888 19.000 0.048 0.000 1.283 806 A HN 0.651 nan 8.150 nan 0.000 0.430 807 S N 0.001 115.679 115.700 -0.036 0.000 2.600 807 S HA 0.504 4.975 4.470 0.001 0.000 0.265 807 S C 1.303 175.835 174.600 -0.113 0.000 1.325 807 S CA 0.227 58.360 58.200 -0.112 0.000 1.002 807 S CB 1.173 64.329 63.200 -0.074 0.000 0.921 807 S HN 2.128 nan 8.310 nan 0.000 0.554 808 A N 1.603 124.306 122.820 -0.195 0.000 1.902 808 A HA -0.104 4.217 4.320 0.001 0.000 0.217 808 A C 2.265 179.818 177.584 -0.052 0.000 1.181 808 A CA 1.405 53.329 52.037 -0.188 0.000 0.623 808 A CB -0.892 17.932 19.000 -0.293 0.000 0.818 808 A HN 0.946 nan 8.150 nan 0.000 0.443 809 E N 0.115 120.339 120.200 0.041 0.000 2.072 809 E HA -0.189 4.161 4.350 0.001 0.000 0.191 809 E C 1.926 178.626 176.600 0.166 0.000 0.985 809 E CA 1.285 57.755 56.400 0.118 0.000 0.801 809 E CB -0.888 28.926 29.700 0.190 0.000 0.750 809 E HN 0.482 nan 8.360 nan 0.000 0.452 810 L N 1.526 122.860 121.223 0.185 0.000 2.046 810 L HA -0.003 4.338 4.340 0.001 0.000 0.208 810 L C 2.424 179.316 176.870 0.036 0.000 1.077 810 L CA 2.026 56.956 54.840 0.151 0.000 0.747 810 L CB -0.860 41.175 42.059 -0.039 0.000 0.896 810 L HN 0.132 nan 8.230 nan 0.000 0.432 811 A N -0.566 122.251 122.820 -0.004 0.000 1.933 811 A HA -0.073 4.248 4.320 0.001 0.000 0.218 811 A C 2.451 180.020 177.584 -0.025 0.000 1.175 811 A CA 1.682 53.704 52.037 -0.024 0.000 0.628 811 A CB -1.092 17.882 19.000 -0.043 0.000 0.814 811 A HN 0.564 nan 8.150 nan 0.000 0.444 812 A N -0.560 122.249 122.820 -0.018 0.000 1.902 812 A HA -0.010 4.311 4.320 0.001 0.000 0.217 812 A C 2.235 179.780 177.584 -0.065 0.000 1.181 812 A CA 1.778 53.808 52.037 -0.012 0.000 0.623 812 A CB -0.939 18.073 19.000 0.020 0.000 0.818 812 A HN 0.370 nan 8.150 nan 0.000 0.443 813 V N -0.170 119.691 119.914 -0.088 0.000 2.295 813 V HA -0.256 3.865 4.120 0.001 0.000 0.246 813 V C 3.041 178.997 176.094 -0.229 0.000 1.049 813 V CA 1.998 64.150 62.300 -0.246 0.000 1.024 813 V CB -1.125 30.597 31.823 -0.168 0.000 0.648 813 V HN 0.615 nan 8.190 nan 0.000 0.447 814 A N -0.355 122.394 122.820 -0.119 0.000 2.019 814 A HA -0.043 4.278 4.320 0.001 0.000 0.219 814 A C 2.350 179.886 177.584 -0.080 0.000 1.164 814 A CA 1.817 53.793 52.037 -0.101 0.000 0.644 814 A CB -0.560 18.391 19.000 -0.081 0.000 0.805 814 A HN 0.573 nan 8.150 nan 0.000 0.449 815 A N -0.380 122.402 122.820 -0.062 0.000 1.929 815 A HA 0.070 4.391 4.320 0.001 0.000 0.216 815 A C 2.073 179.627 177.584 -0.049 0.000 1.176 815 A CA 1.264 53.285 52.037 -0.026 0.000 0.628 815 A CB -0.436 18.567 19.000 0.005 0.000 0.816 815 A HN 0.456 nan 8.150 nan 0.000 0.444 816 L N -1.234 119.922 121.223 -0.111 0.000 2.217 816 L HA -0.054 4.287 4.340 0.001 0.000 0.211 816 L C 1.863 178.645 176.870 -0.147 0.000 1.107 816 L CA 0.583 55.336 54.840 -0.144 0.000 0.783 816 L CB -0.110 41.779 42.059 -0.284 0.000 0.919 816 L HN 0.278 nan 8.230 nan 0.000 0.442 817 I N -1.188 119.287 120.570 -0.159 0.000 3.708 817 I HA 0.175 4.346 4.170 0.001 0.000 0.302 817 I C 1.700 177.782 176.117 -0.058 0.000 1.255 817 I CA 0.536 61.769 61.300 -0.111 0.000 1.362 817 I CB -0.042 37.878 38.000 -0.134 0.000 1.100 817 I HN 0.233 nan 8.210 nan 0.000 0.434 818 G N 1.466 110.235 108.800 -0.053 0.000 2.176 818 G HA2 -0.272 3.689 3.960 0.001 0.000 0.253 818 G HA3 -0.272 3.689 3.960 0.001 0.000 0.253 818 G C 0.439 175.320 174.900 -0.031 0.000 0.979 818 G CA 0.596 45.680 45.100 -0.026 0.000 0.641 818 G HN 0.528 nan 8.290 nan 0.000 0.530 819 K N -0.957 119.411 120.400 -0.053 0.000 2.548 819 K HA 0.742 5.063 4.320 0.001 0.000 0.282 819 K C -0.467 176.074 176.600 -0.097 0.000 1.006 819 K CA -1.373 54.874 56.287 -0.066 0.000 0.892 819 K CB 1.049 33.521 32.500 -0.046 0.000 1.499 819 K HN 0.116 nan 8.250 nan 0.000 0.433 820 L N 2.686 123.824 121.223 -0.141 0.000 2.410 820 L HA 0.294 4.635 4.340 0.001 0.000 0.273 820 L C -1.815 175.001 176.870 -0.090 0.000 1.144 820 L CA -1.725 53.017 54.840 -0.163 0.000 0.863 820 L CB 0.496 42.388 42.059 -0.278 0.000 1.140 820 L HN 0.539 nan 8.230 nan 0.000 0.463 821 P HA 0.135 nan 4.420 nan 0.000 0.276 821 P C -0.522 176.794 177.300 0.027 0.000 1.261 821 P CA -0.466 62.647 63.100 0.021 0.000 0.800 821 P CB 0.762 32.517 31.700 0.093 0.000 1.066 822 T N -3.507 111.083 114.554 0.061 0.000 2.874 822 T HA 0.294 4.645 4.350 0.001 0.000 0.281 822 T C -1.890 172.870 174.700 0.101 0.000 0.994 822 T CA -1.874 60.257 62.100 0.053 0.000 1.015 822 T CB 0.172 69.069 68.868 0.049 0.000 1.028 822 T HN 0.152 nan 8.240 nan 0.000 0.523 823 P HA -0.093 nan 4.420 nan 0.000 0.217 823 P C 1.326 178.725 177.300 0.165 0.000 1.148 823 P CA 1.140 64.315 63.100 0.125 0.000 0.828 823 P CB 0.088 31.830 31.700 0.070 0.000 0.783 824 E N 0.023 120.288 120.200 0.108 0.000 2.017 824 E HA -0.210 4.140 4.350 0.001 0.000 0.193 824 E C 2.054 178.714 176.600 0.100 0.000 0.997 824 E CA 1.321 57.772 56.400 0.085 0.000 0.804 824 E CB -0.462 29.270 29.700 0.054 0.000 0.757 824 E HN 0.516 nan 8.360 nan 0.000 0.448 825 E N 0.439 120.715 120.200 0.127 0.000 2.106 825 E HA -0.236 4.115 4.350 0.001 0.000 0.192 825 E C 2.089 178.857 176.600 0.280 0.000 0.984 825 E CA 1.016 57.518 56.400 0.171 0.000 0.806 825 E CB -0.554 29.274 29.700 0.212 0.000 0.750 825 E HN 0.359 nan 8.360 nan 0.000 0.458 826 Y N 2.360 122.751 120.300 0.152 0.000 2.081 826 Y HA -0.282 4.268 4.550 0.001 0.000 0.280 826 Y C 2.496 178.485 175.900 0.148 0.000 1.163 826 Y CA 2.059 60.247 58.100 0.146 0.000 1.135 826 Y CB -0.034 38.465 38.460 0.066 0.000 0.970 826 Y HN -0.082 nan 8.280 nan 0.000 0.498 827 Q N -0.255 119.562 119.800 0.028 0.000 2.096 827 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 827 Q C 2.251 178.190 176.000 -0.101 0.000 0.982 827 Q CA 2.174 57.934 55.803 -0.073 0.000 0.850 827 Q CB -0.862 27.911 28.738 0.058 0.000 0.901 827 Q HN 0.532 nan 8.270 nan 0.000 0.422 828 T N 0.524 115.042 114.554 -0.060 0.000 2.684 828 T HA -0.162 4.189 4.350 0.001 0.000 0.267 828 T C 1.737 176.348 174.700 -0.148 0.000 1.036 828 T CA 1.388 63.417 62.100 -0.117 0.000 1.148 828 T CB -0.464 68.302 68.868 -0.170 0.000 0.863 828 T HN 0.303 nan 8.240 nan 0.000 0.436 829 Y N 0.741 120.989 120.300 -0.086 0.000 2.114 829 Y HA -0.122 4.429 4.550 0.001 0.000 0.284 829 Y C 2.660 178.490 175.900 -0.117 0.000 1.143 829 Y CA 0.757 58.821 58.100 -0.059 0.000 1.135 829 Y CB -0.565 37.856 38.460 -0.065 0.000 0.980 829 Y HN -0.019 nan 8.280 nan 0.000 0.499 830 V N -0.442 119.403 119.914 -0.116 0.000 2.515 830 V HA -0.284 3.837 4.120 0.001 0.000 0.250 830 V C 2.394 178.444 176.094 -0.072 0.000 1.058 830 V CA 1.396 63.600 62.300 -0.160 0.000 1.064 830 V CB -1.169 30.412 31.823 -0.404 0.000 0.675 830 V HN 0.479 nan 8.190 nan 0.000 0.461 831 A N -0.640 122.134 122.820 -0.076 0.000 1.940 831 A HA -0.291 4.029 4.320 0.001 0.000 0.219 831 A C 2.144 179.714 177.584 -0.023 0.000 1.176 831 A CA 1.824 53.837 52.037 -0.041 0.000 0.631 831 A CB -0.428 18.546 19.000 -0.044 0.000 0.814 831 A HN 0.622 nan 8.150 nan 0.000 0.446 832 Q N -0.884 118.903 119.800 -0.023 0.000 2.369 832 Q HA 0.000 4.341 4.340 0.001 0.000 0.206 832 Q C 1.250 177.249 176.000 -0.002 0.000 0.963 832 Q CA 1.084 56.877 55.803 -0.017 0.000 0.894 832 Q CB 0.011 28.735 28.738 -0.023 0.000 0.965 832 Q HN 0.484 nan 8.270 nan 0.000 0.475 833 V N 0.367 120.288 119.914 0.011 0.000 3.621 833 V HA -0.017 4.104 4.120 0.001 0.000 0.285 833 V C 0.353 176.464 176.094 0.029 0.000 1.346 833 V CA 0.666 62.977 62.300 0.018 0.000 1.104 833 V CB 0.504 32.345 31.823 0.031 0.000 0.913 833 V HN 0.137 nan 8.190 nan 0.000 0.432 834 D N -0.205 120.213 120.400 0.031 0.000 2.379 834 D HA 0.049 4.690 4.640 0.001 0.000 0.208 834 D C 2.024 178.346 176.300 0.037 0.000 1.065 834 D CA 0.185 54.217 54.000 0.054 0.000 0.848 834 D CB 0.317 41.145 40.800 0.046 0.000 0.949 834 D HN 0.191 nan 8.370 nan 0.000 0.509 835 K N -0.012 120.398 120.400 0.017 0.000 2.148 835 K HA -0.027 4.293 4.320 0.001 0.000 0.204 835 K C 1.342 177.949 176.600 0.011 0.000 1.050 835 K CA 0.936 57.228 56.287 0.009 0.000 0.942 835 K CB -0.748 31.750 32.500 -0.003 0.000 0.724 835 K HN 0.202 nan 8.250 nan 0.000 0.446 836 T N -2.072 112.488 114.554 0.009 0.000 3.242 836 T HA 0.533 4.884 4.350 0.001 0.000 0.253 836 T C 1.191 175.895 174.700 0.006 0.000 0.946 836 T CA 0.017 62.118 62.100 0.001 0.000 0.944 836 T CB 0.570 69.431 68.868 -0.011 0.000 1.122 836 T HN 0.060 nan 8.240 nan 0.000 0.546 837 A N 0.666 123.516 122.820 0.050 0.000 2.119 837 A HA 0.244 4.564 4.320 0.001 0.000 0.216 837 A C 2.147 179.816 177.584 0.141 0.000 1.152 837 A CA 0.577 52.694 52.037 0.133 0.000 0.708 837 A CB -0.473 18.643 19.000 0.193 0.000 0.805 837 A HN 0.499 nan 8.150 nan 0.000 0.460 838 V N 0.240 120.193 119.914 0.066 0.000 2.591 838 V HA -0.190 3.931 4.120 0.001 0.000 0.249 838 V C 2.197 178.297 176.094 0.011 0.000 1.053 838 V CA 2.287 64.617 62.300 0.050 0.000 1.068 838 V CB -0.395 31.445 31.823 0.029 0.000 0.689 838 V HN 0.786 nan 8.190 nan 0.000 0.462 839 D N -0.437 119.954 120.400 -0.016 0.000 2.162 839 D HA -0.143 4.498 4.640 0.001 0.000 0.203 839 D C 2.091 178.326 176.300 -0.109 0.000 0.967 839 D CA 1.566 55.539 54.000 -0.045 0.000 0.840 839 D CB 0.031 40.815 40.800 -0.028 0.000 0.972 839 D HN 0.316 nan 8.370 nan 0.000 0.482 840 T N -0.948 113.502 114.554 -0.173 0.000 2.746 840 T HA -0.155 4.195 4.350 0.001 0.000 0.267 840 T C 0.457 174.807 174.700 -0.584 0.000 1.039 840 T CA 1.081 62.936 62.100 -0.408 0.000 1.142 840 T CB -0.376 68.138 68.868 -0.590 0.000 0.866 840 T HN 0.266 nan 8.240 nan 0.000 0.444 841 Y N 1.681 121.854 120.300 -0.212 0.000 2.897 841 Y HA 0.362 4.913 4.550 0.001 0.000 0.372 841 Y C 0.623 176.210 175.900 -0.522 0.000 1.034 841 Y CA -0.741 57.127 58.100 -0.387 0.000 1.627 841 Y CB -0.252 38.052 38.460 -0.260 0.000 1.474 841 Y HN -0.117 nan 8.280 nan 0.000 0.517 842 R N 0.202 120.502 120.500 -0.333 0.000 2.357 842 R HA 0.329 4.669 4.340 0.001 0.000 0.296 842 R C -1.111 174.939 176.300 -0.418 0.000 1.052 842 R CA -0.483 55.465 56.100 -0.255 0.000 0.988 842 R CB 0.792 31.010 30.300 -0.137 0.000 1.025 842 R HN 0.245 nan 8.270 nan 0.000 0.469 843 Y N 1.336 121.591 120.300 -0.074 0.000 2.432 843 Y HA 0.269 4.820 4.550 0.001 0.000 0.322 843 Y C 0.601 176.385 175.900 -0.194 0.000 1.246 843 Y CA -0.931 57.103 58.100 -0.111 0.000 1.268 843 Y CB 0.820 39.230 38.460 -0.084 0.000 1.276 843 Y HN 0.260 nan 8.280 nan 0.000 0.499 844 L N 2.473 123.616 121.223 -0.133 0.000 2.433 844 L HA 0.131 4.472 4.340 0.001 0.000 0.275 844 L C -0.741 175.778 176.870 -0.584 0.000 1.128 844 L CA 0.430 54.993 54.840 -0.461 0.000 0.875 844 L CB -0.140 41.506 42.059 -0.689 0.000 1.171 844 L HN 0.664 nan 8.230 nan 0.000 0.463 845 N N 3.073 121.458 118.700 -0.524 0.000 2.569 845 N HA 0.241 4.982 4.740 0.001 0.000 0.254 845 N C 0.246 175.498 175.510 -0.430 0.000 1.004 845 N CA -0.434 52.377 53.050 -0.398 0.000 0.904 845 N CB 0.855 39.244 38.487 -0.164 0.000 1.165 845 N HN 0.370 nan 8.380 nan 0.000 0.513 846 F N 0.833 120.624 119.950 -0.265 0.000 2.333 846 F HA -0.115 4.413 4.527 0.002 0.000 0.300 846 F C 1.884 177.591 175.800 -0.155 0.000 1.083 846 F CA 0.713 58.493 58.000 -0.366 0.000 1.395 846 F CB -0.249 38.403 39.000 -0.579 0.000 1.056 846 F HN 0.595 nan 8.300 nan 0.000 0.529 847 N N 0.067 118.786 118.700 0.032 0.000 2.550 847 N HA -0.126 4.615 4.740 0.001 0.000 0.186 847 N C 1.186 176.715 175.510 0.031 0.000 1.110 847 N CA 0.477 53.555 53.050 0.046 0.000 0.912 847 N CB -0.283 38.224 38.487 0.033 0.000 0.968 847 N HN 0.389 nan 8.380 nan 0.000 0.448 848 Q N -0.370 119.430 119.800 -0.000 0.000 2.247 848 Q HA 0.246 4.587 4.340 0.001 0.000 0.211 848 Q C -0.924 175.088 176.000 0.021 0.000 0.861 848 Q CA -0.229 55.574 55.803 -0.000 0.000 0.949 848 Q CB 0.747 29.467 28.738 -0.030 0.000 1.115 848 Q HN 0.227 nan 8.270 nan 0.000 0.507 849 L N 0.642 121.904 121.223 0.065 0.000 2.295 849 L HA 0.211 4.552 4.340 0.001 0.000 0.281 849 L C 1.155 178.124 176.870 0.166 0.000 1.018 849 L CA 0.077 54.996 54.840 0.132 0.000 0.841 849 L CB 1.185 43.383 42.059 0.232 0.000 1.218 849 L HN -0.005 nan 8.230 nan 0.000 0.424 850 S N 3.224 118.979 115.700 0.092 0.000 2.390 850 S HA -0.279 4.192 4.470 0.001 0.000 0.234 850 S C 1.712 176.345 174.600 0.055 0.000 1.063 850 S CA 2.152 60.391 58.200 0.066 0.000 1.108 850 S CB -0.076 63.146 63.200 0.037 0.000 0.975 850 S HN 0.735 nan 8.310 nan 0.000 0.442 851 Q N -0.396 119.405 119.800 0.001 0.000 2.248 851 Q HA -0.178 4.162 4.340 0.001 0.000 0.208 851 Q C 1.749 177.622 176.000 -0.212 0.000 0.984 851 Q CA 1.814 57.543 55.803 -0.123 0.000 0.875 851 Q CB -0.900 27.695 28.738 -0.240 0.000 0.910 851 Q HN 0.827 nan 8.270 nan 0.000 0.433 852 Y N 1.374 121.659 120.300 -0.025 0.000 2.301 852 Y HA 0.046 4.597 4.550 0.001 0.000 0.295 852 Y C 2.750 178.698 175.900 0.080 0.000 1.126 852 Y CA 1.316 59.369 58.100 -0.078 0.000 1.154 852 Y CB -0.321 38.013 38.460 -0.209 0.000 1.075 852 Y HN 0.035 nan 8.280 nan 0.000 0.534 853 T N 0.228 114.911 114.554 0.216 0.000 2.720 853 T HA -0.205 4.146 4.350 0.001 0.000 0.268 853 T C 1.599 176.381 174.700 0.137 0.000 1.037 853 T CA 1.841 64.036 62.100 0.158 0.000 1.144 853 T CB -0.281 68.655 68.868 0.113 0.000 0.864 853 T HN 0.387 nan 8.240 nan 0.000 0.444 854 E N 0.781 121.049 120.200 0.114 0.000 2.070 854 E HA -0.170 4.180 4.350 0.001 0.000 0.197 854 E C 2.373 179.041 176.600 0.114 0.000 1.004 854 E CA 1.217 57.672 56.400 0.092 0.000 0.805 854 E CB -0.093 29.646 29.700 0.066 0.000 0.744 854 E HN 0.437 nan 8.360 nan 0.000 0.451 855 K N 0.184 120.683 120.400 0.165 0.000 2.097 855 K HA -0.056 4.264 4.320 0.001 0.000 0.205 855 K C 2.131 178.841 176.600 0.183 0.000 1.050 855 K CA 0.943 57.339 56.287 0.181 0.000 0.938 855 K CB -0.062 32.604 32.500 0.276 0.000 0.718 855 K HN 0.048 nan 8.250 nan 0.000 0.442 856 A N 1.697 124.656 122.820 0.231 0.000 1.930 856 A HA -0.184 4.137 4.320 0.001 0.000 0.217 856 A C 1.485 179.157 177.584 0.147 0.000 1.175 856 A CA 1.754 53.914 52.037 0.205 0.000 0.627 856 A CB -0.342 18.789 19.000 0.219 0.000 0.815 856 A HN 0.157 nan 8.150 nan 0.000 0.443 857 D N -0.335 120.137 120.400 0.119 0.000 2.264 857 D HA -0.042 4.599 4.640 0.001 0.000 0.208 857 D C 1.713 178.059 176.300 0.076 0.000 0.966 857 D CA 1.262 55.314 54.000 0.086 0.000 0.864 857 D CB -0.334 40.508 40.800 0.069 0.000 0.933 857 D HN 0.452 nan 8.370 nan 0.000 0.499 858 G N -0.120 108.729 108.800 0.082 0.000 3.233 858 G HA2 0.158 4.119 3.960 0.001 0.000 0.227 858 G HA3 0.158 4.119 3.960 0.001 0.000 0.227 858 G C 0.362 175.309 174.900 0.078 0.000 1.175 858 G CA -0.178 44.963 45.100 0.067 0.000 0.781 858 G HN 0.045 nan 8.290 nan 0.000 0.542 859 V N 1.690 121.670 119.914 0.109 0.000 2.432 859 V HA 0.378 4.498 4.120 0.001 0.000 0.275 859 V C -0.108 176.098 176.094 0.186 0.000 1.043 859 V CA -0.381 62.004 62.300 0.140 0.000 0.925 859 V CB 1.413 33.343 31.823 0.179 0.000 0.985 859 V HN 0.143 nan 8.190 nan 0.000 0.466 860 I N 5.264 125.938 120.570 0.173 0.000 2.362 860 I HA 0.369 4.540 4.170 0.001 0.000 0.289 860 I C -0.506 175.787 176.117 0.294 0.000 0.994 860 I CA -0.513 60.906 61.300 0.198 0.000 1.158 860 I CB 1.396 39.460 38.000 0.107 0.000 1.315 860 I HN 0.369 nan 8.210 nan 0.000 0.451 861 F N 5.280 125.238 119.950 0.014 0.000 2.533 861 F HA 0.082 4.610 4.527 0.002 0.000 0.378 861 F C 1.109 176.914 175.800 0.008 0.000 1.070 861 F CA 0.023 58.030 58.000 0.012 0.000 1.172 861 F CB -0.086 38.923 39.000 0.014 0.000 1.085 861 F HN 0.534 nan 8.300 nan 0.000 0.552 862 Q N 0.000 119.837 119.800 0.062 0.000 2.315 862 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 862 Q CA 0.000 55.818 55.803 0.026 0.000 1.022 862 Q CB 0.000 28.717 28.738 -0.035 0.000 1.108 862 Q HN 0.000 nan 8.270 nan 0.000 0.481