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 1c3o_1_A DATA FIRST_RESID 1 DATA SEQUENCE MPKRTDIKSI LILGAGPIVI GQACEFDYSG AQACKALREE GYRVILVNSN DATA SEQUENCE PATIMTDPEM ADATYIEPIH WEVVRKIIEK ERPDAVLPTM GGQTALNCAL DATA SEQUENCE ELERQGVLEE FGVTMIGATA DAIDKAEDRR RFDVAMKKIG LETARSGIAH DATA SEQUENCE TMEEALAVAA DVGFPCIIRP SFTMGGSGGG IAYNREEFEE ICARGLDLSP DATA SEQUENCE TKELLIDESL IGWKEYEMEV VRDKNDNCII VCSIENFDAM GIHTGDSITV DATA SEQUENCE APAQTLTDKE YQIMRNASMA VLREIGVETG GSNVQFAVNP KNGRLIVIEM DATA SEQUENCE NPRVSRSSAL ASKATGFPIA KVAAKLAVGY TLDELMNDIT GGRTPASFEP DATA SEQUENCE SIDYVVTKIP RFNFEKFAGA NDRLTTQMKS VGEVMAIGRT QQESLQKALR DATA SEQUENCE GLEVGATGFD PKVSLDDPEA LTKIRRELKD AGADRIWYIA DAFRAGLSVD DATA SEQUENCE GVFNLTNIDR WFLVQIEELV RLEEKVAEVG ITGLNADFLR QLKRKGFADA DATA SEQUENCE RLAKLAGVRE AEIRKLRDQY DLHPVYKRVD TCAAEFATDT AYMYSTYEEE DATA SEQUENCE CEANPSTDRE KIMVLGGGPN RIGQGIEFDY CCVHASLALR EDGYETIMVN DATA SEQUENCE CNPETVSTDY DTSDRLYFEP VTLEDVLEIV RIEKPKGVIV QYGGQTPLKL DATA SEQUENCE ARALEAAGVP VIGTSPDAID RAEDRERFQH AVERLKLKQP ANATVTAIEM DATA SEQUENCE AVEKAKEIGY PLVVRPXXXX XXXAMEIVYD EADLRRYFQT AXXXXXXXXV DATA SEQUENCE LLDHFLDDAV EVDVDAICDG EMVLIGGIME HIEQAGVHSG DSACSLPAYT DATA SEQUENCE LSQEIQDVMR QQVQKLAFEL QVRGLMNVQF AVKNNEVYLI EVNPRAARTV DATA SEQUENCE PFVSKATGVP LAKVAARVMA GKSLAEQGVT KEVIPPYYSV KEVVLPFNKF DATA SEQUENCE PGVDPLLGPE MRSTGEVMGV GRTFAEAFAK AQLGSNSTMK KHGRALLSVR DATA SEQUENCE EGDKERVVDL AAKLLKQGFE LDATHGTAIV LGEAGINPRL VNKVHEGRPH DATA SEQUENCE IQDRIKNGEY TYIINTTSGR RAIEDSRVIR RSALQYKVHY DTTLNGGFAT DATA SEQUENCE AMALNADATE KVISVQEMHA QIK 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 0.000 176.263 176.300 -0.061 0.000 1.140 1 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.031 0.000 1.302 2 P HA 0.310 nan 4.420 nan 0.000 0.312 2 P C -1.425 175.590 177.300 -0.476 0.000 1.308 2 P CA -0.606 62.342 63.100 -0.254 0.000 0.743 2 P CB 0.091 31.710 31.700 -0.135 0.000 1.364 3 K N 0.171 120.103 120.400 -0.780 0.000 2.414 3 K HA 0.097 4.418 4.320 0.002 0.000 0.272 3 K C 0.100 176.607 176.600 -0.155 0.000 0.993 3 K CA -0.103 55.850 56.287 -0.557 0.000 0.964 3 K CB 0.391 32.693 32.500 -0.331 0.000 0.925 3 K HN 0.202 nan 8.250 nan 0.000 0.487 4 R N 0.957 121.437 120.500 -0.033 0.000 2.623 4 R HA -0.023 4.318 4.340 0.002 0.000 0.271 4 R C 0.585 176.937 176.300 0.086 0.000 1.043 4 R CA 0.747 56.865 56.100 0.029 0.000 1.083 4 R CB 0.447 30.772 30.300 0.042 0.000 0.974 4 R HN 0.920 nan 8.270 nan 0.000 0.436 5 T N -2.689 111.891 114.554 0.043 0.000 2.985 5 T HA -0.027 4.324 4.350 0.002 0.000 0.254 5 T C 0.628 175.354 174.700 0.043 0.000 1.021 5 T CA -0.108 62.011 62.100 0.031 0.000 0.957 5 T CB 0.177 69.045 68.868 -0.000 0.000 1.047 5 T HN 0.659 nan 8.240 nan 0.000 0.511 6 D N 1.107 121.537 120.400 0.050 0.000 2.336 6 D HA 0.193 4.834 4.640 0.002 0.000 0.228 6 D C 0.136 176.476 176.300 0.067 0.000 1.120 6 D CA -0.368 53.659 54.000 0.046 0.000 0.839 6 D CB -0.205 40.614 40.800 0.031 0.000 0.932 6 D HN 0.412 nan 8.370 nan 0.000 0.509 7 I N -0.071 120.566 120.570 0.110 0.000 2.499 7 I HA 0.242 4.413 4.170 0.002 0.000 0.288 7 I C 0.646 176.906 176.117 0.239 0.000 1.048 7 I CA -0.569 60.823 61.300 0.154 0.000 1.062 7 I CB 2.408 40.494 38.000 0.144 0.000 1.238 7 I HN -0.314 nan 8.210 nan 0.000 0.426 8 K N 2.156 122.668 120.400 0.188 0.000 2.362 8 K HA 0.197 4.518 4.320 0.002 0.000 0.203 8 K C 0.318 177.057 176.600 0.232 0.000 1.198 8 K CA 0.228 56.621 56.287 0.176 0.000 0.908 8 K CB 0.687 33.232 32.500 0.075 0.000 1.236 8 K HN 0.637 nan 8.250 nan 0.000 0.487 9 S N 0.573 116.368 115.700 0.158 0.000 2.509 9 S HA 0.647 5.118 4.470 0.002 0.000 0.297 9 S C -0.360 174.298 174.600 0.096 0.000 1.118 9 S CA -0.809 57.467 58.200 0.126 0.000 1.074 9 S CB 1.180 64.429 63.200 0.082 0.000 1.038 9 S HN 0.094 nan 8.310 nan 0.000 0.498 10 I N 2.575 123.190 120.570 0.074 0.000 2.499 10 I HA 0.386 4.557 4.170 0.002 0.000 0.288 10 I C -1.122 175.009 176.117 0.024 0.000 1.048 10 I CA -0.823 60.492 61.300 0.024 0.000 1.062 10 I CB 2.073 40.057 38.000 -0.027 0.000 1.238 10 I HN 0.667 nan 8.210 nan 0.000 0.426 11 L N 7.878 129.108 121.223 0.011 0.000 2.289 11 L HA 0.633 4.974 4.340 0.002 0.000 0.285 11 L C -0.988 175.884 176.870 0.004 0.000 1.049 11 L CA 0.164 55.009 54.840 0.009 0.000 0.804 11 L CB 0.840 42.893 42.059 -0.010 0.000 1.195 11 L HN 0.426 nan 8.230 nan 0.000 0.428 12 I N 6.124 126.701 120.570 0.012 0.000 2.362 12 I HA 0.286 4.457 4.170 0.002 0.000 0.289 12 I C -0.568 175.554 176.117 0.008 0.000 0.994 12 I CA -0.615 60.690 61.300 0.008 0.000 1.158 12 I CB 1.469 39.477 38.000 0.013 0.000 1.315 12 I HN 0.498 nan 8.210 nan 0.000 0.451 13 L N 6.169 127.391 121.223 -0.003 0.000 2.313 13 L HA 0.399 4.740 4.340 0.002 0.000 0.282 13 L C 0.944 177.806 176.870 -0.012 0.000 1.092 13 L CA -0.301 54.534 54.840 -0.009 0.000 0.831 13 L CB 0.583 42.630 42.059 -0.019 0.000 1.159 13 L HN 0.664 nan 8.230 nan 0.000 0.442 14 G N 1.656 110.455 108.800 -0.000 0.000 2.562 14 G HA2 0.401 4.362 3.960 0.002 0.000 0.275 14 G HA3 0.401 4.362 3.960 0.002 0.000 0.275 14 G C 0.738 175.624 174.900 -0.024 0.000 1.196 14 G CA 0.112 45.216 45.100 0.008 0.000 0.908 14 G HN 0.784 nan 8.290 nan 0.000 0.524 15 A N -0.690 122.122 122.820 -0.013 0.000 2.072 15 A HA 0.544 4.865 4.320 0.002 0.000 0.216 15 A C 1.632 179.205 177.584 -0.018 0.000 1.156 15 A CA 1.589 53.589 52.037 -0.061 0.000 0.701 15 A CB -0.851 18.114 19.000 -0.058 0.000 0.816 15 A HN 2.537 nan 8.150 nan 0.000 0.458 16 G N -0.983 107.825 108.800 0.012 0.000 2.587 16 G HA2 -0.076 3.885 3.960 0.002 0.000 0.212 16 G HA3 -0.076 3.885 3.960 0.002 0.000 0.212 16 G C -3.035 171.876 174.900 0.017 0.000 1.327 16 G CA -0.431 44.673 45.100 0.008 0.000 0.898 16 G HN 0.331 nan 8.290 nan 0.000 0.551 17 P HA 0.401 nan 4.420 nan 0.000 0.269 17 P C 0.312 177.618 177.300 0.010 0.000 1.209 17 P CA -0.272 62.825 63.100 -0.006 0.000 0.776 17 P CB 0.355 32.038 31.700 -0.028 0.000 0.876 18 I N 2.624 123.200 120.570 0.010 0.000 2.588 18 I HA 0.118 4.289 4.170 0.002 0.000 0.283 18 I C 0.936 177.051 176.117 -0.003 0.000 1.119 18 I CA -0.094 61.218 61.300 0.021 0.000 1.419 18 I CB 0.037 38.043 38.000 0.009 0.000 1.394 18 I HN 0.199 nan 8.210 nan 0.000 0.562 19 V N 4.490 124.405 119.914 0.001 0.000 3.160 19 V HA 0.570 4.691 4.120 0.002 0.000 0.310 19 V C -0.047 176.024 176.094 -0.037 0.000 1.181 19 V CA -1.232 61.051 62.300 -0.029 0.000 1.047 19 V CB 1.887 33.688 31.823 -0.036 0.000 1.068 19 V HN 0.446 nan 8.190 nan 0.000 0.441 20 I N 2.215 122.739 120.570 -0.076 0.000 2.752 20 I HA 0.413 4.584 4.170 0.002 0.000 0.289 20 I C 1.586 177.650 176.117 -0.089 0.000 1.197 20 I CA 2.007 63.248 61.300 -0.098 0.000 1.432 20 I CB 0.506 38.412 38.000 -0.156 0.000 1.359 20 I HN 1.273 nan 8.210 nan 0.000 0.571 21 G N 4.637 113.390 108.800 -0.078 0.000 2.253 21 G HA2 -0.311 3.650 3.960 0.002 0.000 0.251 21 G HA3 -0.311 3.650 3.960 0.002 0.000 0.251 21 G C 0.381 175.311 174.900 0.049 0.000 0.998 21 G CA 0.205 45.267 45.100 -0.064 0.000 0.621 21 G HN 0.614 nan 8.290 nan 0.000 0.524 22 Q N 0.272 120.123 119.800 0.086 0.000 3.244 22 Q HA 0.693 5.034 4.340 0.002 0.000 0.249 22 Q C 0.253 176.385 176.000 0.220 0.000 0.951 22 Q CA 0.390 56.346 55.803 0.256 0.000 0.740 22 Q CB 0.585 29.425 28.738 0.170 0.000 1.334 22 Q HN 0.843 nan 8.270 nan 0.000 0.448 23 A N 0.082 122.972 122.820 0.117 0.000 3.444 23 A HA 0.333 4.654 4.320 0.002 0.000 0.189 23 A C 1.099 178.684 177.584 0.001 0.000 1.542 23 A CA -0.256 51.804 52.037 0.039 0.000 0.867 23 A CB -0.297 18.691 19.000 -0.020 0.000 1.712 23 A HN 0.785 nan 8.150 nan 0.000 0.556 24 C N 1.205 120.490 119.300 -0.026 0.000 2.401 24 C HA -0.115 4.346 4.460 0.002 0.000 0.286 24 C C 2.533 177.493 174.990 -0.050 0.000 1.332 24 C CA 1.159 60.172 59.018 -0.010 0.000 1.795 24 C CB -1.557 26.179 27.740 -0.007 0.000 1.922 24 C HN 0.861 nan 8.230 nan 0.000 0.520 25 E N 1.342 121.408 120.200 -0.222 0.000 2.160 25 E HA -0.223 4.128 4.350 0.002 0.000 0.195 25 E C 1.489 177.938 176.600 -0.251 0.000 0.991 25 E CA 1.602 57.822 56.400 -0.299 0.000 0.810 25 E CB -0.762 28.616 29.700 -0.537 0.000 0.742 25 E HN 0.615 nan 8.360 nan 0.000 0.466 26 F N 1.826 121.839 119.950 0.105 0.000 2.407 26 F HA 0.005 4.533 4.527 0.002 0.000 0.299 26 F C 2.104 177.948 175.800 0.073 0.000 1.097 26 F CA 1.061 59.107 58.000 0.076 0.000 1.422 26 F CB -0.489 38.539 39.000 0.046 0.000 1.067 26 F HN 0.067 nan 8.300 nan 0.000 0.539 27 D N -0.977 119.538 120.400 0.192 0.000 2.162 27 D HA -0.213 4.428 4.640 0.002 0.000 0.203 27 D C 2.137 178.523 176.300 0.143 0.000 0.967 27 D CA 0.847 54.939 54.000 0.152 0.000 0.840 27 D CB -0.286 40.594 40.800 0.133 0.000 0.972 27 D HN 0.300 nan 8.370 nan 0.000 0.482 28 Y N 0.756 121.066 120.300 0.017 0.000 2.200 28 Y HA -0.088 4.463 4.550 0.002 0.000 0.290 28 Y C 2.243 178.153 175.900 0.017 0.000 1.137 28 Y CA 1.895 59.993 58.100 -0.003 0.000 1.163 28 Y CB -0.524 37.918 38.460 -0.030 0.000 0.988 28 Y HN -0.101 nan 8.280 nan 0.000 0.518 29 S N 0.352 115.961 115.700 -0.152 0.000 2.345 29 S HA -0.117 4.354 4.470 0.002 0.000 0.220 29 S C 2.264 176.812 174.600 -0.086 0.000 1.031 29 S CA 1.280 59.374 58.200 -0.178 0.000 0.996 29 S CB -1.254 62.000 63.200 0.091 0.000 0.882 29 S HN 0.722 nan 8.310 nan 0.000 0.445 30 G N 1.307 110.125 108.800 0.031 0.000 2.442 30 G HA2 -0.094 3.867 3.960 0.002 0.000 0.219 30 G HA3 -0.094 3.867 3.960 0.002 0.000 0.219 30 G C 1.513 176.410 174.900 -0.004 0.000 1.141 30 G CA 1.019 46.139 45.100 0.033 0.000 0.763 30 G HN 0.578 nan 8.290 nan 0.000 0.554 31 A N 0.150 122.957 122.820 -0.022 0.000 1.898 31 A HA -0.011 4.310 4.320 0.002 0.000 0.216 31 A C 2.331 179.870 177.584 -0.076 0.000 1.181 31 A CA 1.732 53.752 52.037 -0.028 0.000 0.620 31 A CB -0.357 18.639 19.000 -0.008 0.000 0.819 31 A HN 0.430 nan 8.150 nan 0.000 0.442 32 Q N -0.580 119.119 119.800 -0.168 0.000 2.050 32 Q HA -0.145 4.196 4.340 0.002 0.000 0.202 32 Q C 2.487 178.427 176.000 -0.100 0.000 0.980 32 Q CA 1.429 57.120 55.803 -0.187 0.000 0.840 32 Q CB -0.396 28.137 28.738 -0.340 0.000 0.898 32 Q HN 0.671 nan 8.270 nan 0.000 0.424 33 A N 0.489 123.263 122.820 -0.077 0.000 1.908 33 A HA -0.218 4.103 4.320 0.002 0.000 0.218 33 A C 2.395 179.970 177.584 -0.016 0.000 1.181 33 A CA 1.457 53.472 52.037 -0.036 0.000 0.627 33 A CB -1.072 17.915 19.000 -0.021 0.000 0.818 33 A HN 0.495 nan 8.150 nan 0.000 0.445 34 C N -0.816 118.478 119.300 -0.010 0.000 2.413 34 C HA -0.095 4.366 4.460 0.002 0.000 0.276 34 C C 2.761 177.759 174.990 0.014 0.000 1.236 34 C CA 1.528 60.552 59.018 0.010 0.000 1.735 34 C CB -0.973 26.776 27.740 0.014 0.000 2.031 34 C HN 0.774 nan 8.230 nan 0.000 0.474 35 K N 0.946 121.344 120.400 -0.003 0.000 2.097 35 K HA -0.067 4.254 4.320 0.002 0.000 0.205 35 K C 2.005 178.610 176.600 0.008 0.000 1.050 35 K CA 1.557 57.844 56.287 -0.001 0.000 0.938 35 K CB -0.263 32.224 32.500 -0.022 0.000 0.718 35 K HN 0.388 nan 8.250 nan 0.000 0.442 36 A N 0.990 123.809 122.820 -0.002 0.000 1.929 36 A HA -0.012 4.309 4.320 0.002 0.000 0.216 36 A C 2.059 179.674 177.584 0.051 0.000 1.176 36 A CA 0.937 52.977 52.037 0.005 0.000 0.628 36 A CB -0.429 18.559 19.000 -0.019 0.000 0.816 36 A HN 0.311 nan 8.150 nan 0.000 0.444 37 L N -1.399 119.861 121.223 0.061 0.000 2.179 37 L HA -0.057 4.284 4.340 0.002 0.000 0.208 37 L C 2.697 179.692 176.870 0.207 0.000 1.096 37 L CA 1.270 56.187 54.840 0.128 0.000 0.779 37 L CB -0.322 41.763 42.059 0.044 0.000 0.922 37 L HN 0.344 nan 8.230 nan 0.000 0.443 38 R N 0.688 121.259 120.500 0.119 0.000 2.148 38 R HA -0.136 4.205 4.340 0.002 0.000 0.227 38 R C 1.970 178.324 176.300 0.090 0.000 1.103 38 R CA 1.221 57.384 56.100 0.104 0.000 0.983 38 R CB -0.094 30.243 30.300 0.062 0.000 0.874 38 R HN 0.327 nan 8.270 nan 0.000 0.451 39 E N -0.083 120.165 120.200 0.079 0.000 2.152 39 E HA -0.118 4.233 4.350 0.002 0.000 0.192 39 E C 1.034 177.682 176.600 0.081 0.000 0.983 39 E CA 0.817 57.252 56.400 0.058 0.000 0.818 39 E CB 0.138 29.859 29.700 0.035 0.000 0.758 39 E HN 0.316 nan 8.360 nan 0.000 0.467 40 E N -0.359 119.935 120.200 0.157 0.000 2.511 40 E HA -0.004 4.347 4.350 0.002 0.000 0.196 40 E C 0.919 177.552 176.600 0.054 0.000 1.066 40 E CA 0.602 57.135 56.400 0.221 0.000 0.871 40 E CB 0.501 30.490 29.700 0.481 0.000 0.863 40 E HN 0.357 nan 8.360 nan 0.000 0.520 41 G N 1.163 109.981 108.800 0.029 0.000 2.182 41 G HA2 -0.293 3.668 3.960 0.002 0.000 0.248 41 G HA3 -0.293 3.668 3.960 0.002 0.000 0.248 41 G C -0.265 174.525 174.900 -0.184 0.000 1.042 41 G CA 0.091 45.140 45.100 -0.086 0.000 0.775 41 G HN 0.214 nan 8.290 nan 0.000 0.501 42 Y N -0.761 119.564 120.300 0.042 0.000 2.432 42 Y HA 0.643 5.194 4.550 0.002 0.000 0.322 42 Y C 1.133 177.051 175.900 0.031 0.000 1.246 42 Y CA -0.862 57.261 58.100 0.038 0.000 1.268 42 Y CB 0.842 39.330 38.460 0.045 0.000 1.276 42 Y HN 0.150 nan 8.280 nan 0.000 0.499 43 R N 1.294 121.911 120.500 0.194 0.000 2.254 43 R HA 0.537 4.878 4.340 0.002 0.000 0.318 43 R C -1.757 174.620 176.300 0.128 0.000 1.031 43 R CA -0.395 55.777 56.100 0.120 0.000 0.905 43 R CB 0.493 30.844 30.300 0.085 0.000 1.050 43 R HN 0.515 nan 8.270 nan 0.000 0.456 44 V N 6.729 126.702 119.914 0.098 0.000 2.435 44 V HA 0.455 4.576 4.120 0.002 0.000 0.290 44 V C -0.017 176.119 176.094 0.070 0.000 1.030 44 V CA -0.691 61.656 62.300 0.080 0.000 0.881 44 V CB 1.616 33.482 31.823 0.071 0.000 0.983 44 V HN 0.657 nan 8.190 nan 0.000 0.445 45 I N 6.078 126.690 120.570 0.070 0.000 2.498 45 I HA 0.682 4.853 4.170 0.002 0.000 0.290 45 I C -0.643 175.527 176.117 0.087 0.000 1.032 45 I CA -0.546 60.812 61.300 0.096 0.000 1.073 45 I CB 1.873 39.932 38.000 0.098 0.000 1.251 45 I HN 0.620 nan 8.210 nan 0.000 0.426 46 L N 5.011 126.306 121.223 0.119 0.000 2.415 46 L HA 0.934 5.274 4.340 0.002 0.000 0.256 46 L C -1.434 175.516 176.870 0.133 0.000 1.010 46 L CA -0.953 53.942 54.840 0.091 0.000 0.826 46 L CB 2.128 44.222 42.059 0.060 0.000 1.405 46 L HN 0.349 nan 8.230 nan 0.000 0.410 47 V N 2.024 121.989 119.914 0.084 0.000 2.588 47 V HA 0.733 4.854 4.120 0.002 0.000 0.304 47 V C -1.502 174.622 176.094 0.051 0.000 1.042 47 V CA 0.018 62.370 62.300 0.086 0.000 0.877 47 V CB 1.771 33.617 31.823 0.039 0.000 0.996 47 V HN 0.964 nan 8.190 nan 0.000 0.425 48 N N 3.079 121.809 118.700 0.050 0.000 2.648 48 N HA 0.198 4.939 4.740 0.002 0.000 0.272 48 N C 0.423 175.949 175.510 0.025 0.000 1.118 48 N CA 0.293 53.363 53.050 0.034 0.000 0.973 48 N CB 2.270 40.782 38.487 0.042 0.000 1.565 48 N HN 0.636 nan 8.380 nan 0.000 0.542 49 S N 1.535 117.242 115.700 0.012 0.000 2.481 49 S HA -0.057 4.414 4.470 0.002 0.000 0.231 49 S C 0.805 175.405 174.600 -0.001 0.000 0.996 49 S CA 0.235 58.436 58.200 0.000 0.000 0.942 49 S CB -0.217 62.974 63.200 -0.015 0.000 0.768 49 S HN 0.595 nan 8.310 nan 0.000 0.520 50 N N 3.487 122.190 118.700 0.005 0.000 2.402 50 N HA 0.213 4.954 4.740 0.002 0.000 0.252 50 N C -1.703 173.807 175.510 -0.000 0.000 1.118 50 N CA -2.334 50.716 53.050 -0.001 0.000 0.945 50 N CB 1.139 39.631 38.487 0.009 0.000 1.147 50 N HN 0.049 nan 8.380 nan 0.000 0.495 51 P HA 0.004 nan 4.420 nan 0.000 0.229 51 P C 0.165 177.388 177.300 -0.128 0.000 1.160 51 P CA 0.522 63.611 63.100 -0.019 0.000 0.777 51 P CB 0.177 31.910 31.700 0.055 0.000 0.814 52 A N 0.227 122.947 122.820 -0.167 0.000 2.503 52 A HA 0.264 4.585 4.320 0.002 0.000 0.263 52 A C 0.622 178.156 177.584 -0.082 0.000 1.360 52 A CA 0.047 51.876 52.037 -0.347 0.000 0.969 52 A CB -1.306 17.519 19.000 -0.292 0.000 1.000 52 A HN 0.278 nan 8.150 nan 0.000 0.530 53 T N -2.967 111.622 114.554 0.060 0.000 2.895 53 T HA 0.541 4.892 4.350 0.002 0.000 0.283 53 T C 0.974 175.877 174.700 0.339 0.000 1.014 53 T CA -0.718 61.502 62.100 0.201 0.000 1.037 53 T CB 1.176 70.116 68.868 0.120 0.000 1.006 53 T HN -0.004 nan 8.240 nan 0.000 0.468 54 I N 2.089 122.811 120.570 0.252 0.000 2.439 54 I HA -0.112 4.059 4.170 0.002 0.000 0.251 54 I C 2.559 178.755 176.117 0.132 0.000 1.139 54 I CA 1.399 62.789 61.300 0.151 0.000 1.438 54 I CB -0.832 37.190 38.000 0.037 0.000 1.085 54 I HN 0.867 nan 8.210 nan 0.000 0.427 55 M N 0.764 120.430 119.600 0.110 0.000 2.267 55 M HA -0.166 4.315 4.480 0.002 0.000 0.263 55 M C 1.709 178.054 176.300 0.075 0.000 1.063 55 M CA 2.300 57.647 55.300 0.078 0.000 1.090 55 M CB -0.990 31.649 32.600 0.066 0.000 1.392 55 M HN 0.237 nan 8.290 nan 0.000 0.422 56 T N -2.483 112.128 114.554 0.096 0.000 3.144 56 T HA 0.145 4.496 4.350 0.002 0.000 0.249 56 T C -0.008 174.743 174.700 0.085 0.000 1.089 56 T CA -0.430 61.711 62.100 0.069 0.000 0.989 56 T CB -0.525 68.373 68.868 0.051 0.000 0.992 56 T HN 0.277 nan 8.240 nan 0.000 0.540 57 D N 3.792 124.270 120.400 0.130 0.000 2.383 57 D HA 0.170 4.811 4.640 0.002 0.000 0.252 57 D C -1.271 175.070 176.300 0.068 0.000 1.166 57 D CA -2.097 51.991 54.000 0.147 0.000 0.879 57 D CB 1.807 42.714 40.800 0.178 0.000 1.164 57 D HN 0.109 nan 8.370 nan 0.000 0.462 58 P HA -0.194 nan 4.420 nan 0.000 0.218 58 P C 0.806 178.112 177.300 0.010 0.000 1.146 58 P CA 1.228 64.326 63.100 -0.005 0.000 0.820 58 P CB 0.176 31.878 31.700 0.005 0.000 0.778 59 E N -1.340 118.876 120.200 0.027 0.000 2.437 59 E HA 0.046 4.397 4.350 0.002 0.000 0.189 59 E C 1.052 177.660 176.600 0.014 0.000 1.054 59 E CA 0.155 56.563 56.400 0.015 0.000 0.874 59 E CB -0.309 29.395 29.700 0.006 0.000 1.011 59 E HN 0.201 nan 8.360 nan 0.000 0.474 60 M N 0.464 120.076 119.600 0.020 0.000 2.414 60 M HA 0.381 4.862 4.480 0.002 0.000 0.251 60 M C 0.757 177.070 176.300 0.021 0.000 1.116 60 M CA 0.048 55.361 55.300 0.021 0.000 1.056 60 M CB 0.599 33.217 32.600 0.030 0.000 1.388 60 M HN 0.188 nan 8.290 nan 0.000 0.487 61 A N -0.303 122.526 122.820 0.015 0.000 2.567 61 A HA 0.549 4.870 4.320 0.002 0.000 0.289 61 A C -0.163 177.425 177.584 0.007 0.000 1.177 61 A CA -0.565 51.483 52.037 0.018 0.000 0.694 61 A CB 0.767 19.781 19.000 0.023 0.000 1.292 61 A HN 0.157 nan 8.150 nan 0.000 0.425 62 D N -0.034 120.377 120.400 0.017 0.000 2.216 62 D HA 0.297 4.938 4.640 0.002 0.000 0.208 62 D C 0.649 176.942 176.300 -0.011 0.000 0.960 62 D CA 1.747 55.754 54.000 0.012 0.000 0.861 62 D CB 0.312 41.131 40.800 0.033 0.000 0.985 62 D HN 0.767 nan 8.370 nan 0.000 0.493 63 A N 0.882 123.699 122.820 -0.004 0.000 2.530 63 A HA 0.451 4.772 4.320 0.002 0.000 0.279 63 A C -0.703 176.840 177.584 -0.068 0.000 1.109 63 A CA -0.585 51.419 52.037 -0.055 0.000 0.763 63 A CB 1.054 20.096 19.000 0.071 0.000 1.257 63 A HN -0.138 nan 8.150 nan 0.000 0.424 64 T N 2.647 117.053 114.554 -0.247 0.000 2.733 64 T HA 0.475 4.826 4.350 0.002 0.000 0.294 64 T C -1.004 173.458 174.700 -0.396 0.000 0.956 64 T CA 0.367 62.348 62.100 -0.199 0.000 0.987 64 T CB -0.115 68.663 68.868 -0.151 0.000 0.920 64 T HN 0.394 nan 8.240 nan 0.000 0.470 65 Y N 2.748 123.014 120.300 -0.057 0.000 2.402 65 Y HA 0.432 4.983 4.550 0.002 0.000 0.332 65 Y C 0.516 176.380 175.900 -0.059 0.000 0.960 65 Y CA -1.031 57.028 58.100 -0.068 0.000 1.228 65 Y CB 0.596 39.017 38.460 -0.065 0.000 1.120 65 Y HN 0.565 nan 8.280 nan 0.000 0.491 66 I N 5.105 125.683 120.570 0.013 0.000 2.224 66 I HA 0.195 4.366 4.170 0.002 0.000 0.293 66 I C -0.271 175.857 176.117 0.019 0.000 1.155 66 I CA 0.094 61.398 61.300 0.008 0.000 1.297 66 I CB -0.155 37.827 38.000 -0.030 0.000 1.487 66 I HN 0.545 nan 8.210 nan 0.000 0.564 67 E N 5.855 126.079 120.200 0.040 0.000 2.416 67 E HA 0.470 4.821 4.350 0.002 0.000 0.273 67 E C -2.623 173.972 176.600 -0.008 0.000 0.935 67 E CA -2.095 54.311 56.400 0.010 0.000 0.784 67 E CB 1.876 31.590 29.700 0.023 0.000 1.301 67 E HN 0.033 nan 8.360 nan 0.000 0.454 68 P HA 0.084 nan 4.420 nan 0.000 0.265 68 P C 0.004 177.304 177.300 0.001 0.000 1.187 68 P CA 0.385 63.468 63.100 -0.029 0.000 0.766 68 P CB 0.253 31.919 31.700 -0.057 0.000 0.820 69 I N 3.104 123.684 120.570 0.016 0.000 2.191 69 I HA 0.146 4.317 4.170 0.002 0.000 0.289 69 I C 0.822 176.975 176.117 0.059 0.000 1.141 69 I CA -0.027 61.287 61.300 0.024 0.000 1.430 69 I CB -0.751 37.253 38.000 0.006 0.000 1.497 69 I HN 0.380 nan 8.210 nan 0.000 0.636 70 H N 5.647 124.689 119.070 -0.047 0.000 2.538 70 H HA 0.077 4.633 4.556 0.002 0.000 0.353 70 H C 0.583 175.871 175.328 -0.068 0.000 1.109 70 H CA -0.780 55.237 56.048 -0.052 0.000 1.192 70 H CB 1.759 31.439 29.762 -0.137 0.000 1.555 70 H HN 0.602 nan 8.280 nan 0.000 0.518 71 W N 5.101 126.282 121.300 -0.199 0.000 2.325 71 W HA -0.159 4.501 4.660 0.001 0.000 0.299 71 W C 0.533 177.097 176.519 0.074 0.000 1.215 71 W CA 1.157 58.460 57.345 -0.071 0.000 1.244 71 W CB -0.480 28.899 29.460 -0.136 0.000 1.140 71 W HN 0.644 nan 8.180 nan 0.000 0.523 72 E N 0.792 120.487 120.200 -0.841 0.000 2.110 72 E HA -0.157 4.194 4.350 0.002 0.000 0.193 72 E C 2.396 178.786 176.600 -0.351 0.000 0.988 72 E CA 1.746 57.635 56.400 -0.852 0.000 0.804 72 E CB -0.216 28.975 29.700 -0.849 0.000 0.745 72 E HN 0.150 nan 8.360 nan 0.000 0.458 73 V N 0.740 120.531 119.914 -0.205 0.000 2.453 73 V HA -0.176 3.945 4.120 0.002 0.000 0.247 73 V C 2.238 178.238 176.094 -0.155 0.000 1.048 73 V CA 1.105 63.305 62.300 -0.167 0.000 1.049 73 V CB -0.050 31.701 31.823 -0.120 0.000 0.672 73 V HN 0.126 nan 8.190 nan 0.000 0.457 74 V N 0.086 119.942 119.914 -0.097 0.000 2.626 74 V HA -0.202 3.919 4.120 0.002 0.000 0.252 74 V C 2.478 178.490 176.094 -0.136 0.000 1.067 74 V CA 1.982 64.218 62.300 -0.107 0.000 1.081 74 V CB -0.879 30.926 31.823 -0.029 0.000 0.686 74 V HN 0.485 nan 8.190 nan 0.000 0.468 75 R N 0.495 120.943 120.500 -0.086 0.000 2.083 75 R HA -0.175 4.166 4.340 0.002 0.000 0.237 75 R C 2.389 178.544 176.300 -0.242 0.000 1.137 75 R CA 1.410 57.455 56.100 -0.092 0.000 0.951 75 R CB -0.119 30.196 30.300 0.024 0.000 0.851 75 R HN 0.288 nan 8.270 nan 0.000 0.434 76 K N 0.466 120.735 120.400 -0.219 0.000 2.147 76 K HA -0.119 4.202 4.320 0.002 0.000 0.205 76 K C 2.013 178.425 176.600 -0.313 0.000 1.049 76 K CA 1.173 57.320 56.287 -0.234 0.000 0.936 76 K CB -0.196 32.192 32.500 -0.186 0.000 0.722 76 K HN 0.367 nan 8.250 nan 0.000 0.446 77 I N 0.185 120.530 120.570 -0.375 0.000 2.406 77 I HA -0.179 3.992 4.170 0.002 0.000 0.249 77 I C 2.174 178.041 176.117 -0.416 0.000 1.122 77 I CA 0.608 61.592 61.300 -0.528 0.000 1.431 77 I CB -0.086 37.498 38.000 -0.694 0.000 1.087 77 I HN -0.011 nan 8.210 nan 0.000 0.424 78 I N 0.759 121.094 120.570 -0.392 0.000 2.202 78 I HA -0.304 3.867 4.170 0.002 0.000 0.242 78 I C 2.666 178.407 176.117 -0.628 0.000 1.091 78 I CA 1.548 62.597 61.300 -0.420 0.000 1.368 78 I CB -0.282 37.477 38.000 -0.401 0.000 1.058 78 I HN 0.272 nan 8.210 nan 0.000 0.410 79 E N 1.482 121.127 120.200 -0.926 0.000 2.118 79 E HA -0.327 4.024 4.350 0.002 0.000 0.195 79 E C 2.169 178.572 176.600 -0.328 0.000 0.992 79 E CA 1.592 57.425 56.400 -0.946 0.000 0.804 79 E CB -0.064 29.293 29.700 -0.571 0.000 0.741 79 E HN 0.395 nan 8.360 nan 0.000 0.458 80 K N -0.179 120.056 120.400 -0.276 0.000 2.167 80 K HA -0.076 4.245 4.320 0.002 0.000 0.203 80 K C 1.665 178.210 176.600 -0.092 0.000 1.052 80 K CA 1.184 57.385 56.287 -0.142 0.000 0.956 80 K CB 0.299 32.719 32.500 -0.133 0.000 0.735 80 K HN 0.050 nan 8.250 nan 0.000 0.451 81 E N 0.283 120.407 120.200 -0.127 0.000 2.431 81 E HA 0.055 4.406 4.350 0.002 0.000 0.200 81 E C -0.350 176.235 176.600 -0.024 0.000 0.995 81 E CA 0.000 56.375 56.400 -0.042 0.000 0.915 81 E CB 0.606 30.296 29.700 -0.016 0.000 0.930 81 E HN 0.120 nan 8.360 nan 0.000 0.496 82 R N 0.946 121.411 120.500 -0.059 0.000 3.079 82 R HA -0.116 4.225 4.340 0.002 0.000 0.254 82 R C -2.526 173.789 176.300 0.025 0.000 0.900 82 R CA 0.211 56.315 56.100 0.007 0.000 0.641 82 R CB -2.509 27.829 30.300 0.063 0.000 1.307 82 R HN 0.233 nan 8.270 nan 0.000 0.477 83 P HA 0.200 nan 4.420 nan 0.000 0.277 83 P C 0.373 177.701 177.300 0.047 0.000 1.240 83 P CA -0.391 62.725 63.100 0.026 0.000 0.798 83 P CB 0.797 32.502 31.700 0.008 0.000 0.979 84 D N 0.116 120.548 120.400 0.054 0.000 2.213 84 D HA 0.092 4.733 4.640 0.002 0.000 0.205 84 D C 0.754 177.080 176.300 0.044 0.000 0.961 84 D CA 1.155 55.189 54.000 0.056 0.000 0.853 84 D CB 0.324 41.163 40.800 0.065 0.000 0.967 84 D HN 0.450 nan 8.370 nan 0.000 0.496 85 A N -0.163 122.676 122.820 0.032 0.000 2.532 85 A HA 0.630 4.951 4.320 0.002 0.000 0.290 85 A C -1.379 176.209 177.584 0.006 0.000 1.143 85 A CA -0.577 51.469 52.037 0.015 0.000 0.728 85 A CB 2.373 21.372 19.000 -0.001 0.000 1.317 85 A HN -0.060 nan 8.150 nan 0.000 0.414 86 V N 0.671 120.585 119.914 0.001 0.000 2.760 86 V HA 0.707 4.828 4.120 0.002 0.000 0.309 86 V C -1.848 174.241 176.094 -0.009 0.000 1.077 86 V CA -0.618 61.680 62.300 -0.003 0.000 0.910 86 V CB 1.673 33.497 31.823 0.001 0.000 1.008 86 V HN 1.127 nan 8.190 nan 0.000 0.424 87 L N 9.564 130.779 121.223 -0.012 0.000 2.324 87 L HA 0.770 5.111 4.340 0.002 0.000 0.274 87 L C -2.270 174.595 176.870 -0.009 0.000 1.012 87 L CA -1.292 53.541 54.840 -0.012 0.000 0.859 87 L CB 2.096 44.143 42.059 -0.021 0.000 1.224 87 L HN 0.527 nan 8.230 nan 0.000 0.429 88 P HA 0.164 nan 4.420 nan 0.000 0.272 88 P C 0.388 177.676 177.300 -0.021 0.000 1.408 88 P CA 0.110 63.202 63.100 -0.014 0.000 0.996 88 P CB 0.299 31.996 31.700 -0.005 0.000 1.481 89 T N -4.892 109.657 114.554 -0.009 0.000 3.092 89 T HA 0.257 4.608 4.350 0.002 0.000 0.258 89 T C 1.065 175.772 174.700 0.012 0.000 1.031 89 T CA -0.066 62.032 62.100 -0.002 0.000 0.925 89 T CB -0.368 68.509 68.868 0.015 0.000 1.036 89 T HN -0.159 nan 8.240 nan 0.000 0.544 90 M N 1.195 120.797 119.600 0.003 0.000 2.405 90 M HA 0.405 4.886 4.480 0.002 0.000 0.292 90 M C 1.157 177.463 176.300 0.009 0.000 1.111 90 M CA 0.017 55.345 55.300 0.046 0.000 0.979 90 M CB 0.697 33.323 32.600 0.043 0.000 1.426 90 M HN 0.440 nan 8.290 nan 0.000 0.509 91 G N 0.054 108.763 108.800 -0.152 0.000 4.543 91 G HA2 0.492 4.453 3.960 0.002 0.000 0.286 91 G HA3 0.492 4.453 3.960 0.002 0.000 0.286 91 G C 0.708 175.206 174.900 -0.670 0.000 1.112 91 G CA 0.105 45.029 45.100 -0.294 0.000 0.870 91 G HN 0.571 nan 8.290 nan 0.000 0.540 92 G N 0.712 108.748 108.800 -1.274 0.000 2.601 92 G HA2 -0.335 3.626 3.960 0.002 0.000 0.261 92 G HA3 -0.335 3.626 3.960 0.002 0.000 0.261 92 G C 0.866 175.489 174.900 -0.462 0.000 1.289 92 G CA 0.656 44.999 45.100 -1.261 0.000 0.920 92 G HN 0.618 nan 8.290 nan 0.000 0.571 93 Q N -1.087 118.548 119.800 -0.275 0.000 2.245 93 Q HA 0.096 4.436 4.340 0.002 0.000 0.201 93 Q C 2.804 178.752 176.000 -0.088 0.000 0.955 93 Q CA 2.481 58.215 55.803 -0.116 0.000 0.870 93 Q CB -0.484 28.226 28.738 -0.047 0.000 0.945 93 Q HN 0.698 nan 8.270 nan 0.000 0.461 94 T N 0.046 114.525 114.554 -0.125 0.000 2.635 94 T HA -0.231 4.120 4.350 0.002 0.000 0.267 94 T C 1.675 176.332 174.700 -0.071 0.000 1.040 94 T CA 1.624 63.674 62.100 -0.082 0.000 1.156 94 T CB -0.598 68.217 68.868 -0.088 0.000 0.863 94 T HN 0.492 nan 8.240 nan 0.000 0.430 95 A N 0.895 123.650 122.820 -0.108 0.000 1.933 95 A HA 0.007 4.328 4.320 0.002 0.000 0.218 95 A C 2.332 179.890 177.584 -0.043 0.000 1.175 95 A CA 1.234 53.225 52.037 -0.077 0.000 0.628 95 A CB -0.793 18.152 19.000 -0.092 0.000 0.814 95 A HN 0.489 nan 8.150 nan 0.000 0.444 96 L N -0.562 120.638 121.223 -0.038 0.000 2.027 96 L HA -0.197 4.144 4.340 0.002 0.000 0.206 96 L C 2.382 179.282 176.870 0.049 0.000 1.074 96 L CA 1.333 56.187 54.840 0.022 0.000 0.745 96 L CB -0.793 41.296 42.059 0.050 0.000 0.898 96 L HN 0.324 nan 8.230 nan 0.000 0.433 97 N N -0.276 118.449 118.700 0.043 0.000 2.061 97 N HA -0.246 4.495 4.740 0.002 0.000 0.193 97 N C 1.895 177.376 175.510 -0.048 0.000 1.030 97 N CA 1.738 54.788 53.050 0.000 0.000 0.856 97 N CB -0.938 37.545 38.487 -0.007 0.000 1.023 97 N HN 0.365 nan 8.380 nan 0.000 0.424 98 C N 0.623 119.905 119.300 -0.031 0.000 2.440 98 C HA 0.163 4.623 4.460 0.002 0.000 0.278 98 C C 2.705 177.684 174.990 -0.017 0.000 1.295 98 C CA 0.868 59.874 59.018 -0.020 0.000 1.738 98 C CB -1.308 26.430 27.740 -0.005 0.000 1.987 98 C HN 0.471 nan 8.230 nan 0.000 0.492 99 A N 0.176 122.988 122.820 -0.014 0.000 1.902 99 A HA -0.061 4.259 4.320 0.002 0.000 0.217 99 A C 1.893 179.460 177.584 -0.028 0.000 1.181 99 A CA 1.653 53.684 52.037 -0.009 0.000 0.623 99 A CB -0.596 18.404 19.000 0.000 0.000 0.818 99 A HN 0.525 nan 8.150 nan 0.000 0.443 100 L N -0.576 120.623 121.223 -0.041 0.000 2.291 100 L HA -0.026 4.315 4.340 0.002 0.000 0.214 100 L C 2.275 179.056 176.870 -0.148 0.000 1.120 100 L CA 1.825 56.617 54.840 -0.080 0.000 0.799 100 L CB -0.617 41.392 42.059 -0.083 0.000 0.925 100 L HN 0.492 nan 8.230 nan 0.000 0.446 101 E N 0.155 120.255 120.200 -0.167 0.000 2.047 101 E HA -0.160 4.191 4.350 0.002 0.000 0.191 101 E C 2.203 178.633 176.600 -0.283 0.000 0.987 101 E CA 1.243 57.478 56.400 -0.275 0.000 0.799 101 E CB -0.311 29.222 29.700 -0.278 0.000 0.752 101 E HN 0.373 nan 8.360 nan 0.000 0.449 102 L N 0.736 121.886 121.223 -0.121 0.000 2.129 102 L HA -0.206 4.135 4.340 0.002 0.000 0.212 102 L C 2.653 179.483 176.870 -0.067 0.000 1.087 102 L CA 1.470 56.289 54.840 -0.036 0.000 0.757 102 L CB -0.410 41.673 42.059 0.040 0.000 0.896 102 L HN 0.257 nan 8.230 nan 0.000 0.434 103 E N 0.067 120.216 120.200 -0.085 0.000 2.028 103 E HA -0.197 4.154 4.350 0.002 0.000 0.190 103 E C 2.302 178.834 176.600 -0.113 0.000 0.984 103 E CA 0.848 57.205 56.400 -0.072 0.000 0.800 103 E CB 0.021 29.688 29.700 -0.056 0.000 0.758 103 E HN 0.330 nan 8.360 nan 0.000 0.448 104 R N 0.382 120.781 120.500 -0.169 0.000 2.094 104 R HA -0.148 4.193 4.340 0.002 0.000 0.239 104 R C 2.137 178.300 176.300 -0.229 0.000 1.137 104 R CA 1.516 57.497 56.100 -0.198 0.000 0.943 104 R CB -0.033 30.116 30.300 -0.252 0.000 0.850 104 R HN 0.167 nan 8.270 nan 0.000 0.433 105 Q N -0.672 118.923 119.800 -0.343 0.000 2.541 105 Q HA -0.030 4.311 4.340 0.002 0.000 0.215 105 Q C 1.041 176.938 176.000 -0.171 0.000 0.977 105 Q CA 1.042 56.602 55.803 -0.405 0.000 0.934 105 Q CB 0.299 28.486 28.738 -0.917 0.000 0.988 105 Q HN 0.709 nan 8.270 nan 0.000 0.521 106 G N 0.324 109.058 108.800 -0.110 0.000 2.166 106 G HA2 -0.318 3.643 3.960 0.002 0.000 0.260 106 G HA3 -0.318 3.643 3.960 0.002 0.000 0.260 106 G C 0.983 175.897 174.900 0.023 0.000 0.986 106 G CA 0.540 45.615 45.100 -0.041 0.000 0.683 106 G HN 0.341 nan 8.290 nan 0.000 0.527 107 V N 0.446 120.398 119.914 0.063 0.000 2.407 107 V HA -0.152 3.969 4.120 0.002 0.000 0.248 107 V C 2.905 179.131 176.094 0.220 0.000 1.055 107 V CA 2.249 64.671 62.300 0.203 0.000 1.049 107 V CB -0.398 31.584 31.823 0.266 0.000 0.662 107 V HN 0.544 nan 8.190 nan 0.000 0.455 108 L N -0.323 120.970 121.223 0.117 0.000 2.093 108 L HA -0.173 4.168 4.340 0.002 0.000 0.208 108 L C 2.556 179.479 176.870 0.088 0.000 1.085 108 L CA 1.717 56.621 54.840 0.107 0.000 0.755 108 L CB -0.601 41.489 42.059 0.053 0.000 0.904 108 L HN 0.346 nan 8.230 nan 0.000 0.435 109 E N 0.778 121.002 120.200 0.039 0.000 2.031 109 E HA -0.278 4.073 4.350 0.002 0.000 0.193 109 E C 2.084 178.664 176.600 -0.033 0.000 0.994 109 E CA 1.499 57.899 56.400 0.000 0.000 0.800 109 E CB -0.039 29.648 29.700 -0.021 0.000 0.752 109 E HN 0.335 nan 8.360 nan 0.000 0.447 110 E N -1.050 119.114 120.200 -0.060 0.000 2.086 110 E HA -0.224 4.127 4.350 0.002 0.000 0.200 110 E C 1.169 177.496 176.600 -0.456 0.000 1.012 110 E CA 1.562 57.803 56.400 -0.266 0.000 0.812 110 E CB -0.161 29.369 29.700 -0.283 0.000 0.743 110 E HN 0.353 nan 8.360 nan 0.000 0.453 111 F N -0.988 118.969 119.950 0.011 0.000 2.695 111 F HA 0.297 4.825 4.527 0.002 0.000 0.303 111 F C 1.165 176.970 175.800 0.008 0.000 1.091 111 F CA 0.405 58.410 58.000 0.009 0.000 1.300 111 F CB 1.173 40.178 39.000 0.009 0.000 1.071 111 F HN 0.134 nan 8.300 nan 0.000 0.578 112 G N 1.489 110.352 108.800 0.105 0.000 2.272 112 G HA2 -0.232 3.729 3.960 0.002 0.000 0.280 112 G HA3 -0.232 3.729 3.960 0.002 0.000 0.280 112 G C -0.295 174.655 174.900 0.085 0.000 1.067 112 G CA 0.019 45.162 45.100 0.071 0.000 0.902 112 G HN 0.147 nan 8.290 nan 0.000 0.500 113 V N 0.727 120.699 119.914 0.097 0.000 2.407 113 V HA 0.538 4.659 4.120 0.002 0.000 0.278 113 V C 0.865 176.987 176.094 0.047 0.000 1.037 113 V CA -0.089 62.255 62.300 0.074 0.000 0.900 113 V CB 1.607 33.476 31.823 0.077 0.000 0.983 113 V HN 0.380 nan 8.190 nan 0.000 0.459 114 T N 6.511 121.086 114.554 0.035 0.000 2.743 114 T HA 0.381 4.732 4.350 0.002 0.000 0.293 114 T C -0.043 174.666 174.700 0.015 0.000 0.945 114 T CA -0.215 61.898 62.100 0.023 0.000 1.030 114 T CB 0.745 69.625 68.868 0.020 0.000 0.912 114 T HN 0.633 nan 8.240 nan 0.000 0.483 115 M N 5.559 125.167 119.600 0.012 0.000 2.184 115 M HA 0.415 4.896 4.480 0.002 0.000 0.351 115 M C -0.488 175.815 176.300 0.004 0.000 1.395 115 M CA -0.278 55.027 55.300 0.008 0.000 1.117 115 M CB -0.092 32.514 32.600 0.010 0.000 1.708 115 M HN 0.640 nan 8.290 nan 0.000 0.468 116 I N 1.229 121.797 120.570 -0.003 0.000 2.910 116 I HA 0.933 5.104 4.170 0.002 0.000 0.310 116 I C 0.658 176.774 176.117 -0.003 0.000 1.043 116 I CA -0.282 61.014 61.300 -0.007 0.000 1.053 116 I CB 1.843 39.828 38.000 -0.025 0.000 1.242 116 I HN 0.828 nan 8.210 nan 0.000 0.452 117 G N 2.866 111.667 108.800 0.003 0.000 3.586 117 G HA2 -0.043 3.917 3.960 0.002 0.000 0.212 117 G HA3 -0.043 3.917 3.960 0.002 0.000 0.212 117 G C 0.104 175.015 174.900 0.018 0.000 1.411 117 G CA 0.300 45.407 45.100 0.012 0.000 0.898 117 G HN 1.727 nan 8.290 nan 0.000 0.575 118 A N -0.268 122.561 122.820 0.016 0.000 2.549 118 A HA 0.893 5.214 4.320 0.002 0.000 0.297 118 A C 0.027 177.622 177.584 0.018 0.000 1.061 118 A CA 0.960 53.008 52.037 0.019 0.000 0.690 118 A CB 1.149 20.162 19.000 0.021 0.000 1.287 118 A HN 1.962 nan 8.150 nan 0.000 0.402 119 T N -0.689 113.877 114.554 0.020 0.000 2.899 119 T HA 0.555 4.906 4.350 0.002 0.000 0.284 119 T C 1.371 176.087 174.700 0.027 0.000 1.004 119 T CA 0.225 62.337 62.100 0.020 0.000 1.043 119 T CB 1.373 70.252 68.868 0.018 0.000 1.013 119 T HN 1.736 nan 8.240 nan 0.000 0.518 120 A N 0.878 123.713 122.820 0.025 0.000 1.978 120 A HA -0.092 4.229 4.320 0.002 0.000 0.220 120 A C 1.976 179.589 177.584 0.048 0.000 1.170 120 A CA 2.146 54.204 52.037 0.035 0.000 0.636 120 A CB -1.251 17.760 19.000 0.019 0.000 0.810 120 A HN 1.029 nan 8.150 nan 0.000 0.448 121 D N -0.677 119.745 120.400 0.036 0.000 2.149 121 D HA 0.066 4.707 4.640 0.002 0.000 0.201 121 D C 2.031 178.358 176.300 0.045 0.000 0.972 121 D CA 1.296 55.320 54.000 0.040 0.000 0.835 121 D CB -0.160 40.655 40.800 0.026 0.000 0.966 121 D HN 0.333 nan 8.370 nan 0.000 0.476 122 A N 0.365 123.207 122.820 0.037 0.000 1.858 122 A HA -0.130 4.191 4.320 0.002 0.000 0.216 122 A C 2.345 179.953 177.584 0.039 0.000 1.190 122 A CA 1.319 53.377 52.037 0.035 0.000 0.617 122 A CB -0.927 18.090 19.000 0.029 0.000 0.827 122 A HN 0.362 nan 8.150 nan 0.000 0.443 123 I N -0.205 120.391 120.570 0.043 0.000 2.145 123 I HA -0.330 3.841 4.170 0.002 0.000 0.244 123 I C 2.335 178.472 176.117 0.033 0.000 1.075 123 I CA 2.142 63.465 61.300 0.040 0.000 1.332 123 I CB -0.509 37.535 38.000 0.073 0.000 1.033 123 I HN 0.427 nan 8.210 nan 0.000 0.410 124 D N 0.820 121.293 120.400 0.121 0.000 2.097 124 D HA -0.231 4.410 4.640 0.002 0.000 0.195 124 D C 2.206 178.547 176.300 0.069 0.000 0.989 124 D CA 1.396 55.510 54.000 0.189 0.000 0.827 124 D CB -0.019 40.903 40.800 0.204 0.000 0.966 124 D HN 0.082 nan 8.370 nan 0.000 0.456 125 K N -0.611 119.828 120.400 0.065 0.000 2.113 125 K HA -0.169 4.152 4.320 0.002 0.000 0.208 125 K C 1.860 178.527 176.600 0.111 0.000 1.047 125 K CA 1.352 57.679 56.287 0.067 0.000 0.928 125 K CB -0.122 32.407 32.500 0.048 0.000 0.716 125 K HN 0.199 nan 8.250 nan 0.000 0.446 126 A N 0.459 123.321 122.820 0.071 0.000 1.943 126 A HA -0.026 4.295 4.320 0.002 0.000 0.213 126 A C 1.703 179.184 177.584 -0.173 0.000 1.181 126 A CA 0.710 52.790 52.037 0.072 0.000 0.653 126 A CB -0.048 18.947 19.000 -0.008 0.000 0.833 126 A HN 0.190 nan 8.150 nan 0.000 0.451 127 E N 0.623 120.613 120.200 -0.350 0.000 2.216 127 E HA -0.071 4.280 4.350 0.002 0.000 0.192 127 E C -0.111 176.058 176.600 -0.718 0.000 0.988 127 E CA 0.355 56.275 56.400 -0.800 0.000 0.834 127 E CB -0.161 28.561 29.700 -1.631 0.000 0.772 127 E HN 0.546 nan 8.360 nan 0.000 0.479 128 D N 1.177 121.397 120.400 -0.300 0.000 2.339 128 D HA 0.016 4.657 4.640 0.002 0.000 0.241 128 D C 1.018 177.330 176.300 0.020 0.000 1.183 128 D CA -0.177 53.815 54.000 -0.014 0.000 0.859 128 D CB 0.599 41.486 40.800 0.144 0.000 1.067 128 D HN -0.198 nan 8.370 nan 0.000 0.484 129 R N 3.526 124.027 120.500 0.003 0.000 2.103 129 R HA -0.193 4.148 4.340 0.002 0.000 0.242 129 R C 2.023 178.380 176.300 0.096 0.000 1.142 129 R CA 1.012 57.131 56.100 0.031 0.000 0.960 129 R CB -0.451 29.843 30.300 -0.008 0.000 0.858 129 R HN 0.544 nan 8.270 nan 0.000 0.439 130 R N 0.990 121.537 120.500 0.077 0.000 2.070 130 R HA -0.100 4.241 4.340 0.002 0.000 0.233 130 R C 2.405 178.747 176.300 0.070 0.000 1.137 130 R CA 1.607 57.747 56.100 0.067 0.000 0.945 130 R CB -0.069 30.274 30.300 0.072 0.000 0.845 130 R HN 0.166 nan 8.270 nan 0.000 0.430 131 R N -0.725 119.824 120.500 0.082 0.000 2.096 131 R HA -0.158 4.183 4.340 0.002 0.000 0.235 131 R C 2.229 178.557 176.300 0.046 0.000 1.127 131 R CA 1.564 57.700 56.100 0.059 0.000 0.968 131 R CB -0.481 29.860 30.300 0.067 0.000 0.861 131 R HN 0.253 nan 8.270 nan 0.000 0.440 132 F N 2.131 122.057 119.950 -0.040 0.000 2.102 132 F HA -0.224 4.304 4.527 0.002 0.000 0.298 132 F C 1.917 177.690 175.800 -0.045 0.000 1.105 132 F CA 1.887 59.854 58.000 -0.054 0.000 1.239 132 F CB -0.310 38.642 39.000 -0.080 0.000 0.991 132 F HN -0.062 nan 8.300 nan 0.000 0.474 133 D N -0.225 120.216 120.400 0.069 0.000 2.104 133 D HA -0.189 4.452 4.640 0.002 0.000 0.194 133 D C 2.300 178.541 176.300 -0.099 0.000 0.994 133 D CA 1.754 55.751 54.000 -0.005 0.000 0.830 133 D CB -0.292 40.536 40.800 0.046 0.000 0.959 133 D HN 0.174 nan 8.370 nan 0.000 0.452 134 V N 0.725 120.596 119.914 -0.071 0.000 2.287 134 V HA -0.276 3.845 4.120 0.002 0.000 0.248 134 V C 2.541 178.561 176.094 -0.123 0.000 1.053 134 V CA 1.962 64.219 62.300 -0.072 0.000 1.027 134 V CB -1.012 30.788 31.823 -0.039 0.000 0.646 134 V HN 0.333 nan 8.190 nan 0.000 0.447 135 A N -0.515 122.193 122.820 -0.186 0.000 1.940 135 A HA -0.243 4.078 4.320 0.002 0.000 0.219 135 A C 2.216 179.638 177.584 -0.269 0.000 1.176 135 A CA 2.215 54.114 52.037 -0.229 0.000 0.631 135 A CB -0.452 18.376 19.000 -0.288 0.000 0.814 135 A HN 0.440 nan 8.150 nan 0.000 0.446 136 M N -0.445 118.935 119.600 -0.367 0.000 2.132 136 M HA -0.081 4.399 4.480 0.002 0.000 0.263 136 M C 2.110 178.328 176.300 -0.137 0.000 1.065 136 M CA 1.799 56.932 55.300 -0.278 0.000 1.122 136 M CB -1.194 31.233 32.600 -0.288 0.000 1.365 136 M HN 0.544 nan 8.290 nan 0.000 0.411 137 K N 0.726 121.060 120.400 -0.111 0.000 2.097 137 K HA -0.188 4.133 4.320 0.002 0.000 0.206 137 K C 2.127 178.693 176.600 -0.058 0.000 1.049 137 K CA 1.243 57.493 56.287 -0.063 0.000 0.933 137 K CB -0.097 32.375 32.500 -0.047 0.000 0.717 137 K HN 0.166 nan 8.250 nan 0.000 0.442 138 K N 1.387 121.744 120.400 -0.073 0.000 2.103 138 K HA -0.141 4.180 4.320 0.002 0.000 0.207 138 K C 1.806 178.375 176.600 -0.052 0.000 1.048 138 K CA 1.622 57.874 56.287 -0.058 0.000 0.930 138 K CB -0.166 32.296 32.500 -0.064 0.000 0.716 138 K HN 0.438 nan 8.250 nan 0.000 0.444 139 I N -3.085 117.445 120.570 -0.065 0.000 3.855 139 I HA 0.292 4.463 4.170 0.002 0.000 0.327 139 I C 0.652 176.751 176.117 -0.030 0.000 1.359 139 I CA 0.271 61.543 61.300 -0.047 0.000 1.142 139 I CB 0.046 38.016 38.000 -0.051 0.000 1.041 139 I HN 0.167 nan 8.210 nan 0.000 0.403 140 G N 2.047 110.829 108.800 -0.028 0.000 2.179 140 G HA2 -0.256 3.705 3.960 0.002 0.000 0.257 140 G HA3 -0.256 3.705 3.960 0.002 0.000 0.257 140 G C 0.012 174.912 174.900 -0.000 0.000 1.010 140 G CA 0.350 45.443 45.100 -0.013 0.000 0.736 140 G HN 0.481 nan 8.290 nan 0.000 0.513 141 L N -0.279 120.940 121.223 -0.006 0.000 2.379 141 L HA 0.565 4.906 4.340 0.002 0.000 0.269 141 L C 0.757 177.645 176.870 0.031 0.000 1.084 141 L CA -0.771 54.086 54.840 0.029 0.000 0.802 141 L CB 1.392 43.477 42.059 0.043 0.000 1.175 141 L HN 0.295 nan 8.230 nan 0.000 0.448 142 E N 1.226 121.467 120.200 0.069 0.000 2.249 142 E HA 0.347 4.697 4.350 0.002 0.000 0.280 142 E C -0.972 175.674 176.600 0.077 0.000 1.016 142 E CA -0.506 55.935 56.400 0.069 0.000 0.830 142 E CB 1.399 31.153 29.700 0.089 0.000 1.081 142 E HN 0.665 nan 8.360 nan 0.000 0.395 143 T N 0.369 114.951 114.554 0.048 0.000 2.924 143 T HA 0.721 5.072 4.350 0.002 0.000 0.291 143 T C -0.030 174.676 174.700 0.011 0.000 1.045 143 T CA -0.836 61.288 62.100 0.040 0.000 1.015 143 T CB 1.584 70.478 68.868 0.043 0.000 1.103 143 T HN 0.499 nan 8.240 nan 0.000 0.496 144 A N 1.581 124.388 122.820 -0.022 0.000 2.406 144 A HA 0.504 4.825 4.320 0.002 0.000 0.243 144 A C 0.697 178.255 177.584 -0.042 0.000 1.082 144 A CA -0.600 51.398 52.037 -0.064 0.000 0.786 144 A CB -0.052 18.877 19.000 -0.119 0.000 1.029 144 A HN 0.976 nan 8.150 nan 0.000 0.495 145 R N 0.363 120.834 120.500 -0.048 0.000 2.585 145 R HA 0.295 4.636 4.340 0.002 0.000 0.275 145 R C 0.143 176.417 176.300 -0.044 0.000 1.018 145 R CA 1.107 57.184 56.100 -0.038 0.000 1.072 145 R CB 0.093 30.368 30.300 -0.043 0.000 0.953 145 R HN 1.056 nan 8.270 nan 0.000 0.419 146 S N 1.629 117.309 115.700 -0.034 0.000 2.724 146 S HA 0.793 5.264 4.470 0.002 0.000 0.278 146 S C -0.713 173.870 174.600 -0.028 0.000 1.190 146 S CA -0.464 57.718 58.200 -0.031 0.000 0.860 146 S CB 1.687 64.873 63.200 -0.022 0.000 1.206 146 S HN 0.771 nan 8.310 nan 0.000 0.507 147 G N -0.231 108.554 108.800 -0.025 0.000 2.667 147 G HA2 0.557 4.518 3.960 0.002 0.000 0.294 147 G HA3 0.557 4.518 3.960 0.002 0.000 0.294 147 G C -1.738 173.137 174.900 -0.042 0.000 1.467 147 G CA -0.716 44.365 45.100 -0.031 0.000 0.852 147 G HN 0.641 nan 8.290 nan 0.000 0.521 148 I N 0.897 121.424 120.570 -0.071 0.000 2.437 148 I HA 0.681 4.852 4.170 0.002 0.000 0.298 148 I C 0.489 176.477 176.117 -0.215 0.000 0.984 148 I CA -0.653 60.562 61.300 -0.143 0.000 1.214 148 I CB 1.480 39.376 38.000 -0.174 0.000 1.365 148 I HN 0.705 nan 8.210 nan 0.000 0.469 149 A N 4.759 127.418 122.820 -0.268 0.000 2.435 149 A HA 0.670 4.991 4.320 0.002 0.000 0.304 149 A C -0.523 176.867 177.584 -0.324 0.000 1.064 149 A CA -0.388 51.511 52.037 -0.230 0.000 0.727 149 A CB 0.967 19.935 19.000 -0.052 0.000 1.284 149 A HN 0.886 nan 8.150 nan 0.000 0.415 150 H N -0.200 118.888 119.070 0.030 0.000 3.233 150 H HA 0.277 4.834 4.556 0.002 0.000 0.263 150 H C 0.197 175.538 175.328 0.022 0.000 1.168 150 H CA 0.723 56.785 56.048 0.023 0.000 1.159 150 H CB 1.185 30.959 29.762 0.020 0.000 1.593 150 H HN 0.822 nan 8.280 nan 0.000 0.580 151 T N -3.454 111.174 114.554 0.123 0.000 2.821 151 T HA 0.156 4.507 4.350 0.002 0.000 0.306 151 T C 0.732 175.473 174.700 0.068 0.000 1.313 151 T CA -0.897 61.254 62.100 0.086 0.000 1.012 151 T CB 1.728 70.646 68.868 0.083 0.000 1.298 151 T HN -0.054 nan 8.240 nan 0.000 0.502 152 M N 1.093 120.731 119.600 0.064 0.000 2.080 152 M HA 0.010 4.491 4.480 0.002 0.000 0.260 152 M C 2.154 178.519 176.300 0.108 0.000 1.068 152 M CA 2.380 57.728 55.300 0.080 0.000 1.109 152 M CB -1.030 31.613 32.600 0.072 0.000 1.342 152 M HN 0.936 nan 8.290 nan 0.000 0.405 153 E N -0.301 119.948 120.200 0.082 0.000 2.070 153 E HA -0.266 4.085 4.350 0.002 0.000 0.197 153 E C 1.793 178.434 176.600 0.069 0.000 1.004 153 E CA 2.115 58.558 56.400 0.072 0.000 0.805 153 E CB -0.182 29.551 29.700 0.054 0.000 0.744 153 E HN 0.713 nan 8.360 nan 0.000 0.451 154 E N -0.105 120.134 120.200 0.065 0.000 2.106 154 E HA -0.153 4.198 4.350 0.002 0.000 0.192 154 E C 2.073 178.711 176.600 0.064 0.000 0.984 154 E CA 0.711 57.139 56.400 0.047 0.000 0.806 154 E CB -0.143 29.575 29.700 0.030 0.000 0.750 154 E HN 0.400 nan 8.360 nan 0.000 0.458 155 A N 1.479 124.364 122.820 0.108 0.000 1.865 155 A HA -0.197 4.124 4.320 0.002 0.000 0.217 155 A C 2.216 179.971 177.584 0.285 0.000 1.191 155 A CA 1.230 53.393 52.037 0.210 0.000 0.623 155 A CB -0.847 18.267 19.000 0.190 0.000 0.826 155 A HN 0.149 nan 8.150 nan 0.000 0.444 156 L N -0.731 120.650 121.223 0.262 0.000 2.129 156 L HA -0.260 4.081 4.340 0.002 0.000 0.212 156 L C 3.049 179.888 176.870 -0.052 0.000 1.087 156 L CA 1.069 55.974 54.840 0.109 0.000 0.757 156 L CB -0.498 41.632 42.059 0.117 0.000 0.896 156 L HN 0.479 nan 8.230 nan 0.000 0.434 157 A N -0.477 122.340 122.820 -0.005 0.000 1.873 157 A HA -0.140 4.181 4.320 0.002 0.000 0.215 157 A C 2.316 179.852 177.584 -0.080 0.000 1.186 157 A CA 1.714 53.725 52.037 -0.043 0.000 0.616 157 A CB -0.801 18.190 19.000 -0.015 0.000 0.823 157 A HN 0.178 nan 8.150 nan 0.000 0.442 158 V N 0.025 119.909 119.914 -0.050 0.000 2.392 158 V HA -0.270 3.851 4.120 0.002 0.000 0.249 158 V C 3.034 179.034 176.094 -0.156 0.000 1.059 158 V CA 1.933 64.193 62.300 -0.067 0.000 1.051 158 V CB -1.319 30.498 31.823 -0.010 0.000 0.658 158 V HN 0.624 nan 8.190 nan 0.000 0.455 159 A N 0.275 122.941 122.820 -0.257 0.000 1.858 159 A HA -0.149 4.172 4.320 0.002 0.000 0.216 159 A C 2.473 179.752 177.584 -0.509 0.000 1.190 159 A CA 2.124 53.838 52.037 -0.539 0.000 0.617 159 A CB -1.005 17.380 19.000 -1.024 0.000 0.827 159 A HN 0.613 nan 8.150 nan 0.000 0.443 160 A N -0.570 122.022 122.820 -0.379 0.000 2.042 160 A HA -0.270 4.051 4.320 0.002 0.000 0.222 160 A C 1.785 179.232 177.584 -0.228 0.000 1.167 160 A CA 2.492 54.358 52.037 -0.284 0.000 0.649 160 A CB -0.641 18.255 19.000 -0.174 0.000 0.809 160 A HN 0.605 nan 8.150 nan 0.000 0.457 161 D N -1.206 119.073 120.400 -0.202 0.000 2.201 161 D HA -0.051 4.590 4.640 0.002 0.000 0.209 161 D C 1.911 178.117 176.300 -0.156 0.000 0.961 161 D CA 1.552 55.463 54.000 -0.148 0.000 0.861 161 D CB 0.097 40.833 40.800 -0.107 0.000 0.997 161 D HN 0.346 nan 8.370 nan 0.000 0.486 162 V N -2.628 117.170 119.914 -0.193 0.000 3.174 162 V HA 0.432 4.553 4.120 0.002 0.000 0.254 162 V C 1.228 177.195 176.094 -0.213 0.000 1.120 162 V CA 0.632 62.830 62.300 -0.170 0.000 1.114 162 V CB -0.747 30.997 31.823 -0.132 0.000 0.756 162 V HN 0.289 nan 8.190 nan 0.000 0.467 163 G N 0.240 108.824 108.800 -0.360 0.000 2.855 163 G HA2 -0.214 3.747 3.960 0.002 0.000 0.352 163 G HA3 -0.214 3.747 3.960 0.002 0.000 0.352 163 G C -0.661 173.971 174.900 -0.447 0.000 1.415 163 G CA -0.061 44.763 45.100 -0.460 0.000 0.871 163 G HN 0.589 nan 8.290 nan 0.000 0.543 164 F N 1.307 121.204 119.950 -0.089 0.000 2.397 164 F HA 0.559 5.087 4.527 0.002 0.000 0.331 164 F C -0.961 174.819 175.800 -0.034 0.000 1.090 164 F CA -1.591 56.364 58.000 -0.074 0.000 1.065 164 F CB 1.671 40.648 39.000 -0.038 0.000 1.184 164 F HN 0.431 nan 8.300 nan 0.000 0.499 165 P HA 0.329 nan 4.420 nan 0.000 0.279 165 P C -1.217 176.103 177.300 0.033 0.000 1.252 165 P CA -0.567 62.568 63.100 0.058 0.000 0.811 165 P CB 0.986 32.492 31.700 -0.323 0.000 1.035 166 C N -0.111 119.231 119.300 0.070 0.000 2.889 166 C HA 0.768 5.229 4.460 0.002 0.000 0.307 166 C C -0.533 174.466 174.990 0.015 0.000 1.251 166 C CA -0.946 58.094 59.018 0.037 0.000 1.593 166 C CB 0.205 27.975 27.740 0.051 0.000 2.104 166 C HN 0.368 nan 8.230 nan 0.000 0.476 167 I N 2.145 122.711 120.570 -0.007 0.000 2.336 167 I HA 0.510 4.681 4.170 0.002 0.000 0.292 167 I C -0.026 176.099 176.117 0.013 0.000 0.991 167 I CA -0.768 60.521 61.300 -0.018 0.000 1.227 167 I CB 1.163 39.132 38.000 -0.052 0.000 1.366 167 I HN 0.576 nan 8.210 nan 0.000 0.466 168 I N 7.002 127.576 120.570 0.006 0.000 2.339 168 I HA 0.483 4.654 4.170 0.002 0.000 0.290 168 I C -0.118 175.984 176.117 -0.025 0.000 0.994 168 I CA -0.425 60.871 61.300 -0.006 0.000 1.191 168 I CB 0.662 38.636 38.000 -0.044 0.000 1.343 168 I HN 0.388 nan 8.210 nan 0.000 0.458 169 R N 6.664 127.148 120.500 -0.027 0.000 2.473 169 R HA 0.431 4.772 4.340 0.002 0.000 0.303 169 R C -2.736 173.545 176.300 -0.031 0.000 1.002 169 R CA -1.834 54.246 56.100 -0.033 0.000 0.884 169 R CB 1.589 31.860 30.300 -0.047 0.000 1.173 169 R HN 0.225 nan 8.270 nan 0.000 0.464 170 P HA 0.053 nan 4.420 nan 0.000 0.272 170 P C -0.405 176.896 177.300 0.001 0.000 1.223 170 P CA -0.072 63.027 63.100 -0.002 0.000 0.784 170 P CB 0.818 32.523 31.700 0.008 0.000 0.923 171 S N 1.198 116.926 115.700 0.048 0.000 2.586 171 S HA 0.393 4.864 4.470 0.002 0.000 0.274 171 S C -0.004 174.691 174.600 0.157 0.000 1.281 171 S CA -0.177 58.053 58.200 0.049 0.000 1.035 171 S CB -0.611 62.679 63.200 0.150 0.000 0.962 171 S HN 0.456 nan 8.310 nan 0.000 0.512 172 F N 0.031 119.965 119.950 -0.027 0.000 3.018 172 F HA -0.237 4.291 4.527 0.002 0.000 0.287 172 F C 0.890 176.668 175.800 -0.036 0.000 0.813 172 F CA 0.845 58.827 58.000 -0.031 0.000 1.209 172 F CB -1.984 37.001 39.000 -0.026 0.000 1.321 172 F HN 0.659 nan 8.300 nan 0.000 0.477 173 T N -1.796 112.775 114.554 0.027 0.000 2.887 173 T HA 0.900 5.251 4.350 0.002 0.000 0.292 173 T C -0.270 174.413 174.700 -0.027 0.000 1.087 173 T CA -0.188 61.919 62.100 0.012 0.000 1.009 173 T CB 2.932 71.806 68.868 0.010 0.000 1.203 173 T HN 0.522 nan 8.240 nan 0.000 0.518 174 M N -0.813 118.779 119.600 -0.014 0.000 2.813 174 M HA 0.807 5.288 4.480 0.002 0.000 0.270 174 M C 0.657 176.953 176.300 -0.007 0.000 1.267 174 M CA 0.368 55.672 55.300 0.006 0.000 0.822 174 M CB 0.417 33.024 32.600 0.012 0.000 1.671 174 M HN 1.664 nan 8.290 nan 0.000 0.468 175 G N -0.507 108.297 108.800 0.007 0.000 2.168 175 G HA2 0.185 4.146 3.960 0.002 0.000 0.257 175 G HA3 0.185 4.146 3.960 0.002 0.000 0.257 175 G C 1.228 175.932 174.900 -0.326 0.000 0.997 175 G CA 0.977 45.914 45.100 -0.271 0.000 0.708 175 G HN 2.666 nan 8.290 nan 0.000 0.520 176 G N -1.445 107.318 108.800 -0.062 0.000 2.203 176 G HA2 -0.083 3.878 3.960 0.002 0.000 0.263 176 G HA3 -0.083 3.878 3.960 0.002 0.000 0.263 176 G C 0.499 175.369 174.900 -0.050 0.000 1.012 176 G CA 0.888 45.994 45.100 0.010 0.000 0.749 176 G HN 1.807 nan 8.290 nan 0.000 0.512 177 S N 0.089 115.749 115.700 -0.066 0.000 2.509 177 S HA 0.448 4.919 4.470 0.002 0.000 0.287 177 S C 1.571 176.143 174.600 -0.047 0.000 1.248 177 S CA 1.097 59.256 58.200 -0.069 0.000 1.089 177 S CB 0.928 64.092 63.200 -0.060 0.000 0.900 177 S HN 2.077 nan 8.310 nan 0.000 0.496 178 G N 2.470 111.236 108.800 -0.056 0.000 2.157 178 G HA2 -0.139 3.822 3.960 0.002 0.000 0.248 178 G HA3 -0.139 3.822 3.960 0.002 0.000 0.248 178 G C 0.287 175.157 174.900 -0.050 0.000 0.979 178 G CA -0.201 44.869 45.100 -0.050 0.000 0.650 178 G HN 1.078 nan 8.290 nan 0.000 0.529 179 G N -1.417 107.358 108.800 -0.042 0.000 2.938 179 G HA2 1.065 5.026 3.960 0.002 0.000 0.258 179 G HA3 1.065 5.026 3.960 0.002 0.000 0.258 179 G C 0.291 175.174 174.900 -0.029 0.000 1.356 179 G CA 0.255 45.334 45.100 -0.035 0.000 1.052 179 G HN 1.794 nan 8.290 nan 0.000 0.550 180 G N -1.813 106.976 108.800 -0.018 0.000 2.341 180 G HA2 0.375 4.336 3.960 0.002 0.000 0.293 180 G HA3 0.375 4.336 3.960 0.002 0.000 0.293 180 G C -1.720 173.166 174.900 -0.024 0.000 1.298 180 G CA -0.837 44.258 45.100 -0.008 0.000 0.868 180 G HN 0.681 nan 8.290 nan 0.000 0.540 181 I N 1.102 121.648 120.570 -0.040 0.000 2.377 181 I HA 0.609 4.780 4.170 0.002 0.000 0.293 181 I C 0.563 176.562 176.117 -0.197 0.000 0.987 181 I CA -0.765 60.439 61.300 -0.159 0.000 1.185 181 I CB 1.984 39.828 38.000 -0.260 0.000 1.341 181 I HN 0.773 nan 8.210 nan 0.000 0.455 182 A N 5.627 128.349 122.820 -0.164 0.000 2.258 182 A HA 0.467 4.788 4.320 0.002 0.000 0.316 182 A C -0.451 176.951 177.584 -0.303 0.000 1.279 182 A CA -0.282 51.709 52.037 -0.077 0.000 0.876 182 A CB 0.061 19.256 19.000 0.325 0.000 1.170 182 A HN 0.748 nan 8.150 nan 0.000 0.520 183 Y N 1.690 121.889 120.300 -0.168 0.000 2.510 183 Y HA 0.086 4.637 4.550 0.001 0.000 0.273 183 Y C 0.917 176.470 175.900 -0.580 0.000 1.119 183 Y CA 0.801 58.772 58.100 -0.216 0.000 1.286 183 Y CB 0.220 38.613 38.460 -0.112 0.000 1.061 183 Y HN 0.895 nan 8.280 nan 0.000 0.542 184 N N -2.340 115.898 118.700 -0.770 0.000 3.039 184 N HA 0.192 4.933 4.740 0.002 0.000 0.257 184 N C 0.343 175.322 175.510 -0.884 0.000 1.497 184 N CA -1.013 51.422 53.050 -1.025 0.000 0.861 184 N CB 0.589 38.873 38.487 -0.339 0.000 1.479 184 N HN -0.180 nan 8.380 nan 0.000 0.547 185 R N -0.074 120.189 120.500 -0.396 0.000 2.075 185 R HA -0.066 4.275 4.340 0.002 0.000 0.232 185 R C 1.248 177.624 176.300 0.128 0.000 1.126 185 R CA 1.611 57.758 56.100 0.077 0.000 0.963 185 R CB -0.200 30.205 30.300 0.174 0.000 0.858 185 R HN 0.794 nan 8.270 nan 0.000 0.435 186 E N 0.473 120.691 120.200 0.030 0.000 2.012 186 E HA -0.231 4.120 4.350 0.002 0.000 0.197 186 E C 1.853 178.479 176.600 0.043 0.000 1.007 186 E CA 1.986 58.410 56.400 0.040 0.000 0.816 186 E CB 0.016 29.723 29.700 0.011 0.000 0.762 186 E HN 0.421 nan 8.360 nan 0.000 0.451 187 E N -0.226 119.979 120.200 0.008 0.000 2.070 187 E HA -0.241 4.110 4.350 0.002 0.000 0.197 187 E C 1.969 178.592 176.600 0.038 0.000 1.004 187 E CA 1.275 57.681 56.400 0.012 0.000 0.805 187 E CB -0.334 29.371 29.700 0.007 0.000 0.744 187 E HN 0.298 nan 8.360 nan 0.000 0.451 188 F N 1.928 121.833 119.950 -0.076 0.000 2.120 188 F HA -0.241 4.287 4.527 0.001 0.000 0.300 188 F C 2.134 177.955 175.800 0.035 0.000 1.095 188 F CA 1.700 59.707 58.000 0.012 0.000 1.249 188 F CB 0.111 39.181 39.000 0.117 0.000 0.995 188 F HN -0.043 nan 8.300 nan 0.000 0.480 189 E N -0.255 119.981 120.200 0.060 0.000 2.106 189 E HA -0.231 4.120 4.350 0.002 0.000 0.192 189 E C 2.177 178.717 176.600 -0.100 0.000 0.984 189 E CA 1.038 57.420 56.400 -0.030 0.000 0.806 189 E CB -0.270 29.479 29.700 0.082 0.000 0.750 189 E HN 0.548 nan 8.360 nan 0.000 0.458 190 E N 0.919 121.081 120.200 -0.063 0.000 2.023 190 E HA -0.230 4.121 4.350 0.002 0.000 0.196 190 E C 2.126 178.660 176.600 -0.109 0.000 1.003 190 E CA 1.253 57.614 56.400 -0.065 0.000 0.809 190 E CB -0.089 29.589 29.700 -0.036 0.000 0.755 190 E HN 0.211 nan 8.360 nan 0.000 0.449 191 I N 0.554 121.039 120.570 -0.142 0.000 2.179 191 I HA -0.340 3.831 4.170 0.002 0.000 0.242 191 I C 2.778 178.772 176.117 -0.206 0.000 1.088 191 I CA 0.809 62.016 61.300 -0.155 0.000 1.357 191 I CB -0.350 37.562 38.000 -0.148 0.000 1.051 191 I HN 0.310 nan 8.210 nan 0.000 0.409 192 C N 0.739 119.831 119.300 -0.346 0.000 2.429 192 C HA -0.111 4.350 4.460 0.002 0.000 0.277 192 C C 3.231 178.122 174.990 -0.165 0.000 1.262 192 C CA 0.915 59.737 59.018 -0.326 0.000 1.733 192 C CB -1.176 26.244 27.740 -0.533 0.000 2.010 192 C HN 0.606 nan 8.230 nan 0.000 0.483 193 A N 0.482 123.224 122.820 -0.130 0.000 1.902 193 A HA -0.235 4.086 4.320 0.002 0.000 0.217 193 A C 2.230 179.782 177.584 -0.054 0.000 1.181 193 A CA 1.928 53.930 52.037 -0.059 0.000 0.623 193 A CB -0.637 18.344 19.000 -0.032 0.000 0.818 193 A HN 0.667 nan 8.150 nan 0.000 0.443 194 R N -0.625 119.828 120.500 -0.078 0.000 2.081 194 R HA -0.091 4.250 4.340 0.002 0.000 0.235 194 R C 2.169 178.435 176.300 -0.056 0.000 1.131 194 R CA 1.682 57.739 56.100 -0.072 0.000 0.960 194 R CB -0.640 29.611 30.300 -0.082 0.000 0.856 194 R HN 0.434 nan 8.270 nan 0.000 0.436 195 G N 0.474 109.235 108.800 -0.065 0.000 2.430 195 G HA2 -0.148 3.813 3.960 0.002 0.000 0.216 195 G HA3 -0.148 3.813 3.960 0.002 0.000 0.216 195 G C 1.406 176.295 174.900 -0.019 0.000 1.146 195 G CA 0.240 45.313 45.100 -0.045 0.000 0.793 195 G HN 0.219 nan 8.290 nan 0.000 0.537 196 L N 0.174 121.385 121.223 -0.020 0.000 2.046 196 L HA -0.056 4.285 4.340 0.002 0.000 0.208 196 L C 2.488 179.371 176.870 0.021 0.000 1.077 196 L CA 1.515 56.361 54.840 0.010 0.000 0.747 196 L CB -0.214 41.854 42.059 0.015 0.000 0.896 196 L HN 0.143 nan 8.230 nan 0.000 0.432 197 D N -0.683 119.724 120.400 0.013 0.000 2.144 197 D HA -0.175 4.466 4.640 0.002 0.000 0.200 197 D C 1.934 178.245 176.300 0.018 0.000 0.978 197 D CA 0.681 54.694 54.000 0.023 0.000 0.833 197 D CB 0.187 41.002 40.800 0.025 0.000 0.961 197 D HN 0.058 nan 8.370 nan 0.000 0.470 198 L N -0.042 121.185 121.223 0.007 0.000 2.179 198 L HA 0.179 4.520 4.340 0.002 0.000 0.208 198 L C 0.713 177.595 176.870 0.020 0.000 1.096 198 L CA 0.669 55.513 54.840 0.007 0.000 0.779 198 L CB -0.671 41.383 42.059 -0.009 0.000 0.922 198 L HN -0.164 nan 8.230 nan 0.000 0.443 199 S N 0.566 116.283 115.700 0.029 0.000 2.546 199 S HA 0.042 4.513 4.470 0.002 0.000 0.290 199 S C -1.386 173.241 174.600 0.045 0.000 1.262 199 S CA -0.861 57.373 58.200 0.057 0.000 1.083 199 S CB 0.396 63.639 63.200 0.071 0.000 0.859 199 S HN 0.157 nan 8.310 nan 0.000 0.495 200 P HA -0.040 nan 4.420 nan 0.000 0.219 200 P C 1.055 178.302 177.300 -0.089 0.000 1.146 200 P CA 1.130 64.204 63.100 -0.045 0.000 0.808 200 P CB -0.161 31.471 31.700 -0.115 0.000 0.779 201 T N -5.171 109.373 114.554 -0.017 0.000 3.134 201 T HA 0.209 4.560 4.350 0.002 0.000 0.260 201 T C 0.626 175.355 174.700 0.048 0.000 1.027 201 T CA -0.593 61.500 62.100 -0.012 0.000 0.913 201 T CB -0.599 68.291 68.868 0.037 0.000 1.046 201 T HN -0.065 nan 8.240 nan 0.000 0.553 202 K N 1.024 121.457 120.400 0.055 0.000 3.451 202 K HA -0.198 4.123 4.320 0.002 0.000 0.273 202 K C -0.601 176.103 176.600 0.173 0.000 0.944 202 K CA 0.710 57.044 56.287 0.079 0.000 0.734 202 K CB -1.034 31.491 32.500 0.043 0.000 1.437 202 K HN 0.837 nan 8.250 nan 0.000 0.454 203 E N 0.967 121.266 120.200 0.165 0.000 2.335 203 E HA 0.402 4.753 4.350 0.002 0.000 0.280 203 E C -1.126 175.516 176.600 0.069 0.000 0.918 203 E CA -0.785 55.727 56.400 0.187 0.000 0.765 203 E CB 1.211 31.077 29.700 0.277 0.000 1.218 203 E HN 0.218 nan 8.360 nan 0.000 0.425 204 L N 3.253 124.476 121.223 -0.000 0.000 2.323 204 L HA 0.614 4.955 4.340 0.002 0.000 0.265 204 L C -0.941 175.906 176.870 -0.039 0.000 1.012 204 L CA -1.262 53.566 54.840 -0.021 0.000 0.820 204 L CB 1.724 43.764 42.059 -0.032 0.000 1.334 204 L HN 0.463 nan 8.230 nan 0.000 0.427 205 L N 2.571 123.779 121.223 -0.025 0.000 2.356 205 L HA 0.605 4.946 4.340 0.002 0.000 0.277 205 L C -1.059 175.806 176.870 -0.007 0.000 0.996 205 L CA 0.030 54.857 54.840 -0.022 0.000 0.822 205 L CB 1.554 43.601 42.059 -0.020 0.000 1.256 205 L HN 0.353 nan 8.230 nan 0.000 0.413 206 I N 4.292 124.867 120.570 0.008 0.000 2.389 206 I HA 0.432 4.603 4.170 0.002 0.000 0.288 206 I C -0.875 175.244 176.117 0.004 0.000 0.999 206 I CA -0.254 61.069 61.300 0.039 0.000 1.129 206 I CB 1.582 39.650 38.000 0.113 0.000 1.288 206 I HN 0.592 nan 8.210 nan 0.000 0.444 207 D N 4.329 124.722 120.400 -0.011 0.000 2.350 207 D HA 0.359 5.000 4.640 0.002 0.000 0.238 207 D C -0.504 175.761 176.300 -0.060 0.000 0.989 207 D CA -0.760 53.214 54.000 -0.044 0.000 0.921 207 D CB 1.158 41.922 40.800 -0.060 0.000 1.297 207 D HN 0.571 nan 8.370 nan 0.000 0.490 208 E N -0.363 119.788 120.200 -0.082 0.000 2.391 208 E HA 0.278 4.629 4.350 0.002 0.000 0.255 208 E C -0.354 176.176 176.600 -0.118 0.000 1.187 208 E CA -0.792 55.551 56.400 -0.094 0.000 0.941 208 E CB 0.704 30.349 29.700 -0.092 0.000 1.010 208 E HN 0.188 nan 8.360 nan 0.000 0.458 209 S N 0.418 116.051 115.700 -0.112 0.000 2.545 209 S HA 0.217 4.688 4.470 0.002 0.000 0.275 209 S C 0.181 174.640 174.600 -0.235 0.000 1.299 209 S CA -0.710 57.408 58.200 -0.136 0.000 1.048 209 S CB 0.085 63.241 63.200 -0.074 0.000 0.938 209 S HN 0.545 nan 8.310 nan 0.000 0.496 210 L N 4.875 125.899 121.223 -0.332 0.000 3.229 210 L HA 0.417 4.758 4.340 0.002 0.000 0.286 210 L C -0.237 176.426 176.870 -0.345 0.000 1.239 210 L CA -0.262 54.176 54.840 -0.670 0.000 1.035 210 L CB 0.091 41.574 42.059 -0.961 0.000 1.408 210 L HN 0.592 nan 8.230 nan 0.000 0.593 211 I N 1.607 122.101 120.570 -0.127 0.000 2.742 211 I HA -0.008 4.163 4.170 0.002 0.000 0.287 211 I C 1.466 177.637 176.117 0.090 0.000 1.186 211 I CA 1.439 62.737 61.300 -0.003 0.000 1.417 211 I CB 0.360 38.380 38.000 0.033 0.000 1.377 211 I HN 0.471 nan 8.210 nan 0.000 0.556 212 G N 4.559 113.431 108.800 0.119 0.000 2.259 212 G HA2 -0.211 3.750 3.960 0.002 0.000 0.217 212 G HA3 -0.211 3.750 3.960 0.002 0.000 0.217 212 G C -0.067 175.015 174.900 0.304 0.000 1.001 212 G CA -0.671 44.522 45.100 0.155 0.000 0.627 212 G HN 0.471 nan 8.290 nan 0.000 0.501 213 W N 2.198 123.526 121.300 0.046 0.000 2.079 213 W HA 0.596 5.257 4.660 0.002 0.000 0.354 213 W C 1.126 177.689 176.519 0.073 0.000 1.302 213 W CA -0.570 56.822 57.345 0.078 0.000 1.281 213 W CB 0.312 29.825 29.460 0.088 0.000 1.165 213 W HN 0.064 nan 8.180 nan 0.000 0.603 214 K N 1.254 121.849 120.400 0.326 0.000 2.258 214 K HA 0.141 4.462 4.320 0.002 0.000 0.264 214 K C -0.316 176.386 176.600 0.170 0.000 1.007 214 K CA -0.362 56.037 56.287 0.187 0.000 0.941 214 K CB 0.757 33.380 32.500 0.205 0.000 0.966 214 K HN 0.379 nan 8.250 nan 0.000 0.480 215 E N 1.968 122.137 120.200 -0.051 0.000 2.187 215 E HA 0.275 4.626 4.350 0.002 0.000 0.268 215 E C -1.645 174.813 176.600 -0.236 0.000 0.896 215 E CA -0.566 55.823 56.400 -0.019 0.000 0.766 215 E CB 0.787 30.488 29.700 0.001 0.000 1.142 215 E HN 0.361 nan 8.360 nan 0.000 0.408 216 Y N 1.512 121.912 120.300 0.167 0.000 2.545 216 Y HA 0.413 4.964 4.550 0.002 0.000 0.348 216 Y C -0.469 175.549 175.900 0.197 0.000 1.002 216 Y CA -0.791 57.410 58.100 0.168 0.000 1.039 216 Y CB 2.368 40.920 38.460 0.153 0.000 1.271 216 Y HN 0.458 nan 8.280 nan 0.000 0.467 217 E N 2.434 122.832 120.200 0.331 0.000 2.340 217 E HA 0.650 5.001 4.350 0.002 0.000 0.273 217 E C -1.462 175.263 176.600 0.208 0.000 0.891 217 E CA -0.976 55.563 56.400 0.233 0.000 0.757 217 E CB 3.164 32.935 29.700 0.119 0.000 1.231 217 E HN 0.473 nan 8.360 nan 0.000 0.439 218 M N 1.635 121.345 119.600 0.182 0.000 2.393 218 M HA 0.289 4.770 4.480 0.002 0.000 0.299 218 M C -1.144 175.195 176.300 0.066 0.000 1.103 218 M CA -0.791 54.577 55.300 0.113 0.000 0.910 218 M CB 2.290 34.953 32.600 0.104 0.000 1.659 218 M HN 0.319 nan 8.290 nan 0.000 0.445 219 E N 3.185 123.398 120.200 0.022 0.000 2.109 219 E HA 0.484 4.835 4.350 0.002 0.000 0.278 219 E C -1.147 175.423 176.600 -0.051 0.000 0.954 219 E CA -0.298 56.097 56.400 -0.008 0.000 0.779 219 E CB 1.811 31.499 29.700 -0.020 0.000 1.093 219 E HN 0.369 nan 8.360 nan 0.000 0.401 220 V N 2.142 122.037 119.914 -0.032 0.000 2.815 220 V HA 0.560 4.681 4.120 0.002 0.000 0.314 220 V C 0.030 176.100 176.094 -0.040 0.000 1.064 220 V CA -0.973 61.301 62.300 -0.044 0.000 0.952 220 V CB 2.227 34.048 31.823 -0.004 0.000 1.020 220 V HN 0.329 nan 8.190 nan 0.000 0.439 221 V N 3.279 123.164 119.914 -0.048 0.000 2.623 221 V HA 0.596 4.717 4.120 0.002 0.000 0.304 221 V C -0.358 175.747 176.094 0.019 0.000 1.054 221 V CA -0.631 61.667 62.300 -0.004 0.000 0.882 221 V CB 1.970 33.795 31.823 0.004 0.000 1.002 221 V HN 0.900 nan 8.190 nan 0.000 0.424 222 R N 2.531 123.054 120.500 0.038 0.000 2.621 222 R HA 0.628 4.969 4.340 0.002 0.000 0.292 222 R C -1.386 174.948 176.300 0.056 0.000 0.969 222 R CA -0.535 55.590 56.100 0.042 0.000 0.887 222 R CB 1.960 32.279 30.300 0.033 0.000 1.180 222 R HN 0.955 nan 8.270 nan 0.000 0.450 223 D N 1.699 122.135 120.400 0.060 0.000 2.384 223 D HA 0.105 4.746 4.640 0.002 0.000 0.250 223 D C 0.444 176.775 176.300 0.053 0.000 1.029 223 D CA -0.802 53.239 54.000 0.068 0.000 0.990 223 D CB 1.095 41.947 40.800 0.087 0.000 1.175 223 D HN 0.563 nan 8.370 nan 0.000 0.532 224 K N -0.140 120.291 120.400 0.051 0.000 2.360 224 K HA -0.099 4.222 4.320 0.002 0.000 0.201 224 K C 0.393 177.014 176.600 0.034 0.000 1.046 224 K CA 0.820 57.129 56.287 0.037 0.000 0.945 224 K CB -0.364 32.155 32.500 0.032 0.000 0.750 224 K HN 0.127 nan 8.250 nan 0.000 0.464 225 N N 1.256 119.981 118.700 0.041 0.000 2.461 225 N HA -0.067 4.674 4.740 0.002 0.000 0.188 225 N C -0.443 175.088 175.510 0.035 0.000 1.134 225 N CA 0.859 53.931 53.050 0.037 0.000 0.878 225 N CB 0.100 38.612 38.487 0.042 0.000 0.972 225 N HN 0.345 nan 8.380 nan 0.000 0.456 226 D N -0.818 119.603 120.400 0.035 0.000 3.070 226 D HA -0.160 4.481 4.640 0.002 0.000 0.210 226 D C -0.919 175.402 176.300 0.035 0.000 1.103 226 D CA 0.413 54.432 54.000 0.031 0.000 0.980 226 D CB -1.463 39.352 40.800 0.025 0.000 1.100 226 D HN 0.155 nan 8.370 nan 0.000 0.423 227 N N 0.450 119.176 118.700 0.044 0.000 2.513 227 N HA 0.287 5.028 4.740 0.002 0.000 0.268 227 N C -0.330 175.207 175.510 0.045 0.000 1.180 227 N CA 0.226 53.305 53.050 0.049 0.000 0.948 227 N CB 1.284 39.809 38.487 0.064 0.000 1.083 227 N HN 0.298 nan 8.380 nan 0.000 0.455 228 C N 3.645 122.966 119.300 0.036 0.000 2.535 228 C HA 0.736 5.197 4.460 0.002 0.000 0.319 228 C C -0.523 174.471 174.990 0.006 0.000 1.171 228 C CA -0.696 58.335 59.018 0.021 0.000 1.394 228 C CB -0.467 27.283 27.740 0.017 0.000 1.990 228 C HN 0.738 nan 8.230 nan 0.000 0.466 229 I N 3.266 123.822 120.570 -0.023 0.000 2.828 229 I HA 0.669 4.840 4.170 0.002 0.000 0.302 229 I C -1.096 174.954 176.117 -0.111 0.000 1.101 229 I CA -0.840 60.419 61.300 -0.069 0.000 1.031 229 I CB 1.630 39.564 38.000 -0.110 0.000 1.231 229 I HN 0.234 nan 8.210 nan 0.000 0.427 230 I N 4.671 125.173 120.570 -0.115 0.000 2.291 230 I HA 0.175 4.346 4.170 0.002 0.000 0.290 230 I C 1.025 177.019 176.117 -0.206 0.000 1.050 230 I CA -0.371 60.863 61.300 -0.110 0.000 1.245 230 I CB 1.256 39.234 38.000 -0.037 0.000 1.405 230 I HN 0.577 nan 8.210 nan 0.000 0.478 231 V N 5.136 124.876 119.914 -0.289 0.000 2.591 231 V HA -0.065 4.056 4.120 0.002 0.000 0.249 231 V C 0.773 176.734 176.094 -0.222 0.000 1.053 231 V CA 1.023 63.052 62.300 -0.451 0.000 1.068 231 V CB 0.268 31.689 31.823 -0.670 0.000 0.689 231 V HN 0.888 nan 8.190 nan 0.000 0.462 232 C N -0.408 118.831 119.300 -0.101 0.000 3.283 232 C HA 0.554 5.015 4.460 0.002 0.000 0.359 232 C C -0.476 174.542 174.990 0.046 0.000 1.160 232 C CA -0.427 58.584 59.018 -0.011 0.000 1.232 232 C CB 1.195 28.933 27.740 -0.003 0.000 1.571 232 C HN 0.446 nan 8.230 nan 0.000 0.522 233 S N 3.669 119.432 115.700 0.105 0.000 2.501 233 S HA 0.889 5.360 4.470 0.002 0.000 0.301 233 S C -1.054 173.647 174.600 0.169 0.000 1.096 233 S CA -0.559 57.737 58.200 0.159 0.000 1.063 233 S CB 1.273 64.641 63.200 0.280 0.000 1.042 233 S HN 0.710 nan 8.310 nan 0.000 0.494 234 I N 1.540 122.229 120.570 0.198 0.000 2.533 234 I HA 0.410 4.581 4.170 0.002 0.000 0.290 234 I C -0.429 175.811 176.117 0.204 0.000 1.056 234 I CA -0.330 61.074 61.300 0.173 0.000 1.057 234 I CB 2.160 40.232 38.000 0.119 0.000 1.240 234 I HN 0.806 nan 8.210 nan 0.000 0.423 235 E N 6.533 126.827 120.200 0.157 0.000 2.133 235 E HA 0.314 4.665 4.350 0.002 0.000 0.274 235 E C -0.817 175.779 176.600 -0.007 0.000 0.930 235 E CA -0.583 55.808 56.400 -0.015 0.000 0.770 235 E CB 0.938 30.720 29.700 0.136 0.000 1.104 235 E HN 0.545 nan 8.360 nan 0.000 0.403 236 N N 4.138 122.756 118.700 -0.138 0.000 2.513 236 N HA 0.021 4.762 4.740 0.002 0.000 0.268 236 N C 0.263 175.744 175.510 -0.048 0.000 1.180 236 N CA -0.074 52.947 53.050 -0.049 0.000 0.948 236 N CB 0.654 39.106 38.487 -0.059 0.000 1.083 236 N HN 0.529 nan 8.380 nan 0.000 0.455 237 F N 2.220 122.018 119.950 -0.253 0.000 2.074 237 F HA -0.013 4.515 4.527 0.002 0.000 0.293 237 F C 0.658 176.325 175.800 -0.223 0.000 1.116 237 F CA 0.922 58.622 58.000 -0.501 0.000 1.212 237 F CB 0.164 38.869 39.000 -0.491 0.000 0.998 237 F HN 0.393 nan 8.300 nan 0.000 0.471 238 D N 1.570 122.014 120.400 0.073 0.000 2.389 238 D HA 0.291 4.932 4.640 0.002 0.000 0.247 238 D C 0.315 176.607 176.300 -0.014 0.000 1.128 238 D CA 0.410 54.427 54.000 0.028 0.000 0.884 238 D CB 1.276 42.168 40.800 0.153 0.000 1.194 238 D HN 0.328 nan 8.370 nan 0.000 0.441 239 A N 3.075 125.880 122.820 -0.026 0.000 2.267 239 A HA 0.280 4.601 4.320 0.002 0.000 0.271 239 A C 0.740 178.345 177.584 0.035 0.000 1.131 239 A CA -0.537 51.506 52.037 0.010 0.000 0.818 239 A CB 0.269 19.279 19.000 0.017 0.000 1.118 239 A HN 0.519 nan 8.150 nan 0.000 0.501 240 M N -0.066 119.571 119.600 0.063 0.000 2.245 240 M HA 0.236 4.717 4.480 0.002 0.000 0.335 240 M C 1.389 177.705 176.300 0.027 0.000 1.155 240 M CA 1.968 57.292 55.300 0.039 0.000 1.055 240 M CB -0.352 32.275 32.600 0.045 0.000 1.670 240 M HN 1.479 nan 8.290 nan 0.000 0.447 241 G N 3.336 112.145 108.800 0.015 0.000 2.253 241 G HA2 -0.169 3.792 3.960 0.002 0.000 0.209 241 G HA3 -0.169 3.792 3.960 0.002 0.000 0.209 241 G C 0.016 174.955 174.900 0.065 0.000 0.997 241 G CA -0.579 44.541 45.100 0.033 0.000 0.640 241 G HN 0.563 nan 8.290 nan 0.000 0.496 242 I N 2.385 122.997 120.570 0.069 0.000 2.382 242 I HA 0.329 4.500 4.170 0.002 0.000 0.285 242 I C 0.644 176.835 176.117 0.123 0.000 1.007 242 I CA -1.048 60.321 61.300 0.115 0.000 1.142 242 I CB 1.240 39.313 38.000 0.121 0.000 1.289 242 I HN 0.172 nan 8.210 nan 0.000 0.453 243 H N 5.003 124.117 119.070 0.075 0.000 3.152 243 H HA -0.111 4.446 4.556 0.002 0.000 0.319 243 H C 1.297 176.664 175.328 0.065 0.000 0.994 243 H CA 1.425 57.508 56.048 0.059 0.000 1.370 243 H CB 1.134 30.932 29.762 0.059 0.000 1.322 243 H HN 0.868 nan 8.280 nan 0.000 0.590 244 T N 0.810 115.206 114.554 -0.263 0.000 2.760 244 T HA -0.169 4.182 4.350 0.002 0.000 0.269 244 T C 2.100 176.922 174.700 0.205 0.000 1.047 244 T CA 1.318 63.401 62.100 -0.028 0.000 1.139 244 T CB -0.605 68.194 68.868 -0.115 0.000 0.855 244 T HN 0.624 nan 8.240 nan 0.000 0.471 245 G N 0.819 109.961 108.800 0.570 0.000 2.421 245 G HA2 -0.042 3.919 3.960 0.002 0.000 0.217 245 G HA3 -0.042 3.919 3.960 0.002 0.000 0.217 245 G C 1.117 176.104 174.900 0.145 0.000 1.143 245 G CA 0.642 45.904 45.100 0.270 0.000 0.784 245 G HN 0.500 nan 8.290 nan 0.000 0.541 246 D N 0.027 120.572 120.400 0.242 0.000 2.340 246 D HA 0.238 4.879 4.640 0.002 0.000 0.217 246 D C 0.631 177.133 176.300 0.337 0.000 1.081 246 D CA 0.060 54.251 54.000 0.317 0.000 0.842 246 D CB 0.592 41.658 40.800 0.443 0.000 0.934 246 D HN 0.081 nan 8.370 nan 0.000 0.511 247 S N -0.202 115.628 115.700 0.217 0.000 2.651 247 S HA 0.473 4.944 4.470 0.002 0.000 0.291 247 S C 0.354 175.023 174.600 0.116 0.000 1.141 247 S CA -0.658 57.648 58.200 0.178 0.000 1.027 247 S CB 1.709 64.984 63.200 0.126 0.000 1.043 247 S HN 0.031 nan 8.310 nan 0.000 0.530 248 I N 2.623 123.256 120.570 0.104 0.000 2.441 248 I HA 0.277 4.448 4.170 0.002 0.000 0.287 248 I C 0.588 176.722 176.117 0.028 0.000 1.049 248 I CA 0.102 61.389 61.300 -0.022 0.000 1.381 248 I CB 1.000 38.827 38.000 -0.289 0.000 1.409 248 I HN 0.661 nan 8.210 nan 0.000 0.523 249 T N 4.015 118.573 114.554 0.007 0.000 2.906 249 T HA 0.794 5.145 4.350 0.002 0.000 0.295 249 T C -0.586 174.149 174.700 0.058 0.000 1.061 249 T CA -0.741 61.384 62.100 0.042 0.000 1.000 249 T CB 1.890 70.786 68.868 0.047 0.000 1.103 249 T HN 0.433 nan 8.240 nan 0.000 0.486 250 V N -1.383 118.601 119.914 0.116 0.000 3.078 250 V HA 1.035 5.156 4.120 0.002 0.000 0.311 250 V C -0.573 175.610 176.094 0.148 0.000 1.138 250 V CA -1.165 61.226 62.300 0.152 0.000 1.007 250 V CB 1.242 33.224 31.823 0.266 0.000 1.045 250 V HN 1.586 nan 8.190 nan 0.000 0.432 251 A N 3.874 126.769 122.820 0.125 0.000 2.386 251 A HA 1.053 5.374 4.320 0.002 0.000 0.311 251 A C -2.896 174.736 177.584 0.079 0.000 1.068 251 A CA -1.788 50.310 52.037 0.103 0.000 0.743 251 A CB 1.994 21.042 19.000 0.081 0.000 1.258 251 A HN 0.791 nan 8.150 nan 0.000 0.429 252 P HA 0.501 nan 4.420 nan 0.000 0.317 252 P C 0.138 177.499 177.300 0.101 0.000 1.307 252 P CA -0.236 62.903 63.100 0.065 0.000 0.749 252 P CB 0.625 32.327 31.700 0.002 0.000 1.377 253 A N 0.268 123.188 122.820 0.168 0.000 2.547 253 A HA 0.032 4.353 4.320 0.002 0.000 0.233 253 A C 1.092 178.696 177.584 0.034 0.000 1.067 253 A CA 0.508 52.686 52.037 0.235 0.000 0.763 253 A CB -0.393 18.814 19.000 0.346 0.000 1.007 253 A HN 0.490 nan 8.150 nan 0.000 0.506 254 Q N -0.154 119.610 119.800 -0.061 0.000 2.404 254 Q HA 0.021 4.362 4.340 0.002 0.000 0.262 254 Q C 1.268 176.945 176.000 -0.538 0.000 0.846 254 Q CA 1.458 56.992 55.803 -0.449 0.000 0.978 254 Q CB 0.105 28.245 28.738 -0.995 0.000 1.156 254 Q HN 1.005 nan 8.270 nan 0.000 0.548 255 T N -1.683 112.688 114.554 -0.305 0.000 3.176 255 T HA 0.467 4.818 4.350 0.002 0.000 0.263 255 T C 0.500 175.137 174.700 -0.105 0.000 1.021 255 T CA -0.157 61.792 62.100 -0.252 0.000 0.905 255 T CB -0.252 68.498 68.868 -0.197 0.000 1.057 255 T HN -0.102 nan 8.240 nan 0.000 0.558 256 L N 2.856 124.023 121.223 -0.093 0.000 2.309 256 L HA 0.509 4.850 4.340 0.002 0.000 0.282 256 L C 0.842 177.656 176.870 -0.093 0.000 1.036 256 L CA -1.024 53.755 54.840 -0.101 0.000 0.806 256 L CB 1.553 43.534 42.059 -0.131 0.000 1.220 256 L HN 0.252 nan 8.230 nan 0.000 0.429 257 T N -2.703 111.801 114.554 -0.084 0.000 2.828 257 T HA 0.022 4.373 4.350 0.002 0.000 0.290 257 T C 0.738 175.404 174.700 -0.055 0.000 1.019 257 T CA -0.558 61.496 62.100 -0.077 0.000 1.031 257 T CB 1.241 70.070 68.868 -0.066 0.000 1.001 257 T HN 0.679 nan 8.240 nan 0.000 0.531 258 D N 0.356 120.717 120.400 -0.066 0.000 2.158 258 D HA -0.145 4.496 4.640 0.002 0.000 0.197 258 D C 1.946 178.245 176.300 -0.001 0.000 0.995 258 D CA 1.532 55.503 54.000 -0.047 0.000 0.846 258 D CB -0.059 40.701 40.800 -0.065 0.000 0.941 258 D HN 0.637 nan 8.370 nan 0.000 0.456 259 K N -0.091 120.293 120.400 -0.026 0.000 2.026 259 K HA -0.158 4.163 4.320 0.002 0.000 0.208 259 K C 2.220 178.795 176.600 -0.042 0.000 1.048 259 K CA 1.441 57.711 56.287 -0.030 0.000 0.929 259 K CB -0.112 32.365 32.500 -0.038 0.000 0.713 259 K HN 0.306 nan 8.250 nan 0.000 0.439 260 E N -0.259 119.906 120.200 -0.059 0.000 2.106 260 E HA -0.211 4.140 4.350 0.002 0.000 0.192 260 E C 1.823 178.334 176.600 -0.150 0.000 0.984 260 E CA 1.034 57.366 56.400 -0.113 0.000 0.806 260 E CB -0.145 29.470 29.700 -0.143 0.000 0.750 260 E HN 0.317 nan 8.360 nan 0.000 0.458 261 Y N 1.643 121.815 120.300 -0.214 0.000 2.224 261 Y HA -0.239 4.312 4.550 0.002 0.000 0.289 261 Y C 2.250 178.038 175.900 -0.187 0.000 1.146 261 Y CA 1.370 59.336 58.100 -0.225 0.000 1.182 261 Y CB 0.232 38.587 38.460 -0.175 0.000 0.983 261 Y HN -0.040 nan 8.280 nan 0.000 0.524 262 Q N 0.269 120.087 119.800 0.029 0.000 2.079 262 Q HA -0.141 4.200 4.340 0.002 0.000 0.200 262 Q C 2.447 178.374 176.000 -0.121 0.000 0.974 262 Q CA 1.798 57.589 55.803 -0.019 0.000 0.840 262 Q CB -0.525 28.221 28.738 0.014 0.000 0.898 262 Q HN 0.600 nan 8.270 nan 0.000 0.430 263 I N 0.336 120.823 120.570 -0.139 0.000 2.208 263 I HA -0.288 3.883 4.170 0.002 0.000 0.245 263 I C 2.509 178.475 176.117 -0.253 0.000 1.097 263 I CA 1.150 62.357 61.300 -0.156 0.000 1.363 263 I CB -0.281 37.635 38.000 -0.141 0.000 1.051 263 I HN 0.225 nan 8.210 nan 0.000 0.413 264 M N 0.557 119.908 119.600 -0.415 0.000 2.132 264 M HA -0.224 4.257 4.480 0.002 0.000 0.263 264 M C 2.550 178.540 176.300 -0.517 0.000 1.065 264 M CA 1.641 56.532 55.300 -0.681 0.000 1.122 264 M CB -0.163 31.898 32.600 -0.898 0.000 1.365 264 M HN 0.071 nan 8.290 nan 0.000 0.411 265 R N 0.257 120.480 120.500 -0.462 0.000 2.073 265 R HA -0.168 4.173 4.340 0.002 0.000 0.234 265 R C 1.582 177.799 176.300 -0.138 0.000 1.134 265 R CA 2.458 58.376 56.100 -0.302 0.000 0.952 265 R CB -0.504 29.652 30.300 -0.241 0.000 0.850 265 R HN 0.564 nan 8.270 nan 0.000 0.433 266 N N -0.048 118.583 118.700 -0.114 0.000 2.120 266 N HA -0.170 4.571 4.740 0.002 0.000 0.188 266 N C 1.829 177.327 175.510 -0.020 0.000 1.024 266 N CA 1.124 54.142 53.050 -0.053 0.000 0.852 266 N CB -0.177 38.282 38.487 -0.046 0.000 1.003 266 N HN 0.318 nan 8.380 nan 0.000 0.424 267 A N 0.738 123.545 122.820 -0.021 0.000 1.902 267 A HA -0.117 4.204 4.320 0.002 0.000 0.217 267 A C 2.350 180.040 177.584 0.177 0.000 1.181 267 A CA 1.437 53.524 52.037 0.083 0.000 0.623 267 A CB -0.599 18.485 19.000 0.140 0.000 0.818 267 A HN 0.179 nan 8.150 nan 0.000 0.443 268 S N -0.193 115.627 115.700 0.200 0.000 2.359 268 S HA -0.213 4.258 4.470 0.002 0.000 0.224 268 S C 2.065 176.727 174.600 0.103 0.000 1.035 268 S CA 1.925 60.263 58.200 0.230 0.000 1.018 268 S CB -0.446 62.853 63.200 0.165 0.000 0.876 268 S HN 0.597 nan 8.310 nan 0.000 0.448 269 M N 1.132 120.763 119.600 0.051 0.000 2.086 269 M HA -0.112 4.369 4.480 0.002 0.000 0.261 269 M C 2.599 178.916 176.300 0.029 0.000 1.067 269 M CA 1.531 56.849 55.300 0.029 0.000 1.116 269 M CB -0.774 31.833 32.600 0.012 0.000 1.348 269 M HN 0.396 nan 8.290 nan 0.000 0.407 270 A N 0.174 123.011 122.820 0.029 0.000 1.917 270 A HA -0.133 4.188 4.320 0.002 0.000 0.219 270 A C 2.289 179.880 177.584 0.012 0.000 1.182 270 A CA 1.913 53.960 52.037 0.017 0.000 0.633 270 A CB -1.127 17.882 19.000 0.014 0.000 0.819 270 A HN 0.319 nan 8.150 nan 0.000 0.448 271 V N -0.661 119.272 119.914 0.032 0.000 2.295 271 V HA -0.245 3.876 4.120 0.002 0.000 0.246 271 V C 2.518 178.626 176.094 0.024 0.000 1.049 271 V CA 2.025 64.336 62.300 0.018 0.000 1.024 271 V CB -0.702 31.157 31.823 0.060 0.000 0.648 271 V HN 0.509 nan 8.190 nan 0.000 0.447 272 L N -0.557 120.687 121.223 0.037 0.000 2.093 272 L HA -0.111 4.230 4.340 0.002 0.000 0.208 272 L C 2.580 179.462 176.870 0.021 0.000 1.085 272 L CA 1.818 56.678 54.840 0.034 0.000 0.755 272 L CB -0.630 41.448 42.059 0.032 0.000 0.904 272 L HN 0.195 nan 8.230 nan 0.000 0.435 273 R N -0.938 119.570 120.500 0.014 0.000 2.081 273 R HA -0.200 4.141 4.340 0.002 0.000 0.235 273 R C 2.204 178.503 176.300 -0.002 0.000 1.131 273 R CA 1.310 57.415 56.100 0.007 0.000 0.960 273 R CB -0.229 30.074 30.300 0.006 0.000 0.856 273 R HN 0.231 nan 8.270 nan 0.000 0.436 274 E N 0.932 121.123 120.200 -0.015 0.000 2.047 274 E HA -0.144 4.207 4.350 0.002 0.000 0.191 274 E C 1.632 178.215 176.600 -0.028 0.000 0.987 274 E CA 1.197 57.577 56.400 -0.034 0.000 0.799 274 E CB -0.107 29.551 29.700 -0.070 0.000 0.752 274 E HN 0.055 nan 8.360 nan 0.000 0.449 275 I N -0.003 120.558 120.570 -0.014 0.000 2.361 275 I HA 0.005 4.176 4.170 0.002 0.000 0.251 275 I C 1.795 177.922 176.117 0.017 0.000 1.133 275 I CA 1.637 62.945 61.300 0.013 0.000 1.413 275 I CB -0.915 37.119 38.000 0.056 0.000 1.073 275 I HN 0.420 nan 8.210 nan 0.000 0.424 276 G N -0.259 108.550 108.800 0.015 0.000 2.135 276 G HA2 -0.169 3.792 3.960 0.002 0.000 0.183 276 G HA3 -0.169 3.792 3.960 0.002 0.000 0.183 276 G C 0.207 175.120 174.900 0.021 0.000 1.004 276 G CA 0.019 45.128 45.100 0.016 0.000 0.677 276 G HN 0.136 nan 8.290 nan 0.000 0.512 277 V N 0.865 120.793 119.914 0.025 0.000 2.387 277 V HA 0.319 4.440 4.120 0.002 0.000 0.260 277 V C 1.191 177.301 176.094 0.027 0.000 1.054 277 V CA 0.770 63.086 62.300 0.027 0.000 0.967 277 V CB 1.093 32.933 31.823 0.030 0.000 1.036 277 V HN 0.507 nan 8.190 nan 0.000 0.481 278 E N 2.248 122.464 120.200 0.026 0.000 2.447 278 E HA 0.041 4.392 4.350 0.002 0.000 0.204 278 E C 0.759 177.380 176.600 0.035 0.000 0.977 278 E CA 0.560 56.977 56.400 0.028 0.000 0.950 278 E CB 0.683 30.397 29.700 0.024 0.000 0.975 278 E HN 0.807 nan 8.360 nan 0.000 0.496 279 T N -1.404 113.171 114.554 0.036 0.000 3.585 279 T HA 0.651 5.002 4.350 0.002 0.000 0.252 279 T C 0.058 174.786 174.700 0.047 0.000 1.382 279 T CA -0.299 61.827 62.100 0.044 0.000 1.584 279 T CB 0.911 69.802 68.868 0.038 0.000 0.892 279 T HN 0.151 nan 8.240 nan 0.000 0.671 280 G N -0.132 108.699 108.800 0.051 0.000 2.336 280 G HA2 0.580 4.540 3.960 0.002 0.000 0.286 280 G HA3 0.580 4.540 3.960 0.002 0.000 0.286 280 G C -0.560 174.371 174.900 0.052 0.000 1.269 280 G CA -0.242 44.891 45.100 0.056 0.000 0.873 280 G HN 0.657 nan 8.290 nan 0.000 0.494 281 G N -1.047 107.785 108.800 0.053 0.000 2.461 281 G HA2 0.703 4.664 3.960 0.002 0.000 0.329 281 G HA3 0.703 4.664 3.960 0.002 0.000 0.329 281 G C -0.544 174.378 174.900 0.037 0.000 1.170 281 G CA 0.292 45.417 45.100 0.041 0.000 0.935 281 G HN 1.315 nan 8.290 nan 0.000 0.492 282 S N -0.693 115.024 115.700 0.028 0.000 2.547 282 S HA 0.362 4.832 4.470 0.002 0.000 0.270 282 S C -1.051 173.561 174.600 0.020 0.000 1.150 282 S CA -0.919 57.296 58.200 0.025 0.000 0.850 282 S CB 1.911 65.125 63.200 0.023 0.000 1.118 282 S HN 0.732 nan 8.310 nan 0.000 0.461 283 N N 1.575 120.283 118.700 0.013 0.000 2.408 283 N HA 0.519 5.260 4.740 0.002 0.000 0.280 283 N C -1.490 174.005 175.510 -0.025 0.000 1.002 283 N CA -0.227 52.828 53.050 0.008 0.000 0.907 283 N CB 1.195 39.690 38.487 0.013 0.000 1.161 283 N HN 0.372 nan 8.380 nan 0.000 0.488 284 V N 3.156 123.060 119.914 -0.016 0.000 2.495 284 V HA 0.358 4.479 4.120 0.002 0.000 0.298 284 V C -0.064 175.917 176.094 -0.187 0.000 1.031 284 V CA -0.767 61.466 62.300 -0.112 0.000 0.871 284 V CB 1.613 33.413 31.823 -0.038 0.000 0.988 284 V HN 0.635 nan 8.190 nan 0.000 0.432 285 Q N 2.811 122.389 119.800 -0.371 0.000 2.266 285 Q HA 0.772 5.113 4.340 0.002 0.000 0.261 285 Q C -1.596 174.084 176.000 -0.534 0.000 0.985 285 Q CA -0.343 55.297 55.803 -0.272 0.000 0.873 285 Q CB 2.499 31.128 28.738 -0.182 0.000 1.306 285 Q HN 0.674 nan 8.270 nan 0.000 0.447 286 F N -0.328 119.680 119.950 0.096 0.000 2.664 286 F HA 0.749 5.277 4.527 0.002 0.000 0.317 286 F C -0.639 175.277 175.800 0.193 0.000 1.108 286 F CA -1.092 56.987 58.000 0.132 0.000 0.957 286 F CB 1.685 40.765 39.000 0.132 0.000 1.365 286 F HN 0.505 nan 8.300 nan 0.000 0.475 287 A N 0.925 124.023 122.820 0.463 0.000 2.371 287 A HA 0.846 5.167 4.320 0.002 0.000 0.311 287 A C -1.782 176.156 177.584 0.589 0.000 1.068 287 A CA -0.708 51.614 52.037 0.474 0.000 0.744 287 A CB 1.467 20.680 19.000 0.356 0.000 1.239 287 A HN 0.512 nan 8.150 nan 0.000 0.435 288 V N 2.843 123.089 119.914 0.554 0.000 2.487 288 V HA 0.319 4.440 4.120 0.002 0.000 0.298 288 V C -0.334 175.747 176.094 -0.022 0.000 1.028 288 V CA -0.937 61.538 62.300 0.291 0.000 0.860 288 V CB 1.887 33.844 31.823 0.223 0.000 0.991 288 V HN 0.909 nan 8.190 nan 0.000 0.427 289 N N 7.186 125.510 118.700 -0.626 0.000 2.411 289 N HA 0.260 5.001 4.740 0.002 0.000 0.259 289 N C -1.473 173.753 175.510 -0.473 0.000 1.103 289 N CA -1.984 50.350 53.050 -1.194 0.000 0.954 289 N CB 1.883 39.427 38.487 -1.572 0.000 1.085 289 N HN 0.288 nan 8.380 nan 0.000 0.485 290 P HA -0.095 nan 4.420 nan 0.000 0.225 290 P C 0.490 177.721 177.300 -0.115 0.000 1.148 290 P CA 1.231 64.272 63.100 -0.098 0.000 0.779 290 P CB 0.455 32.169 31.700 0.023 0.000 0.780 291 K N -0.264 120.032 120.400 -0.173 0.000 2.305 291 K HA -0.019 4.302 4.320 0.002 0.000 0.199 291 K C 0.839 177.366 176.600 -0.122 0.000 1.047 291 K CA 1.211 57.424 56.287 -0.123 0.000 0.976 291 K CB -0.051 32.387 32.500 -0.103 0.000 0.765 291 K HN 0.264 nan 8.250 nan 0.000 0.474 292 N N -2.532 116.069 118.700 -0.166 0.000 2.039 292 N HA 0.091 4.832 4.740 0.002 0.000 0.228 292 N C 0.577 176.013 175.510 -0.124 0.000 1.369 292 N CA 0.310 53.286 53.050 -0.124 0.000 0.806 292 N CB 0.781 39.203 38.487 -0.109 0.000 1.190 292 N HN 0.042 nan 8.380 nan 0.000 0.506 293 G N 0.984 109.694 108.800 -0.150 0.000 2.162 293 G HA2 -0.404 3.557 3.960 0.002 0.000 0.260 293 G HA3 -0.404 3.557 3.960 0.002 0.000 0.260 293 G C 0.014 174.847 174.900 -0.112 0.000 0.976 293 G CA 0.273 45.300 45.100 -0.122 0.000 0.655 293 G HN 0.646 nan 8.290 nan 0.000 0.533 294 R N -0.010 120.404 120.500 -0.143 0.000 2.480 294 R HA 0.335 4.676 4.340 0.002 0.000 0.303 294 R C 0.051 176.371 176.300 0.034 0.000 0.985 294 R CA -0.249 55.814 56.100 -0.061 0.000 1.051 294 R CB 0.019 30.277 30.300 -0.070 0.000 0.935 294 R HN 0.345 nan 8.270 nan 0.000 0.410 295 L N 6.784 128.062 121.223 0.092 0.000 2.282 295 L HA 0.461 4.802 4.340 0.002 0.000 0.288 295 L C -0.829 176.202 176.870 0.269 0.000 1.033 295 L CA -0.159 54.778 54.840 0.162 0.000 0.807 295 L CB 1.119 43.196 42.059 0.030 0.000 1.209 295 L HN 0.584 nan 8.230 nan 0.000 0.423 296 I N 5.406 126.200 120.570 0.374 0.000 2.509 296 I HA 0.359 4.530 4.170 0.002 0.000 0.293 296 I C -0.770 175.538 176.117 0.319 0.000 1.020 296 I CA -1.050 60.434 61.300 0.306 0.000 1.088 296 I CB 2.204 40.349 38.000 0.243 0.000 1.267 296 I HN 0.236 nan 8.210 nan 0.000 0.430 297 V N 6.282 126.319 119.914 0.204 0.000 2.432 297 V HA 0.228 4.349 4.120 0.002 0.000 0.275 297 V C 0.960 177.065 176.094 0.018 0.000 1.043 297 V CA -0.307 62.008 62.300 0.025 0.000 0.925 297 V CB 1.522 33.369 31.823 0.041 0.000 0.985 297 V HN 0.570 nan 8.190 nan 0.000 0.466 298 I N 2.896 123.404 120.570 -0.103 0.000 2.681 298 I HA 0.221 4.392 4.170 0.002 0.000 0.247 298 I C 0.991 176.982 176.117 -0.209 0.000 1.091 298 I CA 0.969 62.207 61.300 -0.104 0.000 1.442 298 I CB -0.126 37.802 38.000 -0.121 0.000 1.219 298 I HN 0.977 nan 8.210 nan 0.000 0.451 299 E N 0.958 120.947 120.200 -0.351 0.000 2.435 299 E HA 0.526 4.877 4.350 0.002 0.000 0.275 299 E C -0.875 175.402 176.600 -0.539 0.000 1.087 299 E CA -0.912 55.071 56.400 -0.695 0.000 0.872 299 E CB 1.885 31.253 29.700 -0.553 0.000 1.520 299 E HN 0.041 nan 8.360 nan 0.000 0.459 300 M N 0.785 120.007 119.600 -0.630 0.000 2.365 300 M HA 0.563 5.044 4.480 0.002 0.000 0.287 300 M C -2.227 173.937 176.300 -0.227 0.000 1.154 300 M CA -0.458 54.680 55.300 -0.271 0.000 0.941 300 M CB 2.428 35.021 32.600 -0.012 0.000 1.704 300 M HN 0.380 nan 8.290 nan 0.000 0.479 301 N N 4.427 123.055 118.700 -0.121 0.000 2.511 301 N HA 0.390 5.131 4.740 0.002 0.000 0.249 301 N C -2.657 172.835 175.510 -0.030 0.000 0.971 301 N CA -1.231 51.770 53.050 -0.081 0.000 0.938 301 N CB 1.646 40.105 38.487 -0.047 0.000 1.131 301 N HN 0.549 nan 8.380 nan 0.000 0.505 302 P HA 0.050 nan 4.420 nan 0.000 0.232 302 P C -0.339 176.966 177.300 0.010 0.000 1.738 302 P CA 0.321 63.419 63.100 -0.003 0.000 0.948 302 P CB -0.228 31.466 31.700 -0.010 0.000 1.943 303 R N -2.045 118.471 120.500 0.027 0.000 2.888 303 R HA 0.426 4.767 4.340 0.002 0.000 0.277 303 R C -0.872 175.484 176.300 0.093 0.000 0.981 303 R CA -1.063 55.067 56.100 0.049 0.000 0.841 303 R CB -0.201 30.117 30.300 0.031 0.000 1.405 303 R HN -0.148 nan 8.270 nan 0.000 0.472 304 V N -0.278 119.719 119.914 0.139 0.000 3.133 304 V HA 0.769 4.890 4.120 0.002 0.000 0.305 304 V C 0.202 176.487 176.094 0.317 0.000 1.084 304 V CA 0.389 62.808 62.300 0.199 0.000 1.089 304 V CB 1.103 33.052 31.823 0.209 0.000 1.073 304 V HN 1.064 nan 8.190 nan 0.000 0.477 305 S N 1.707 117.560 115.700 0.256 0.000 2.790 305 S HA 0.452 4.923 4.470 0.002 0.000 0.292 305 S C 0.666 175.269 174.600 0.004 0.000 1.197 305 S CA -0.478 57.871 58.200 0.248 0.000 0.851 305 S CB 1.484 64.782 63.200 0.164 0.000 1.217 305 S HN 1.085 nan 8.310 nan 0.000 0.526 306 R N 0.371 120.856 120.500 -0.024 0.000 2.148 306 R HA 0.119 4.460 4.340 0.002 0.000 0.223 306 R C 1.435 177.724 176.300 -0.019 0.000 1.088 306 R CA 1.667 57.707 56.100 -0.100 0.000 0.985 306 R CB -0.830 29.425 30.300 -0.076 0.000 0.880 306 R HN 0.423 nan 8.270 nan 0.000 0.451 307 S N 1.157 116.875 115.700 0.030 0.000 2.414 307 S HA -0.103 4.368 4.470 0.002 0.000 0.227 307 S C 1.983 176.615 174.600 0.054 0.000 1.022 307 S CA 1.188 59.413 58.200 0.042 0.000 0.958 307 S CB 0.078 63.309 63.200 0.051 0.000 0.797 307 S HN 0.639 nan 8.310 nan 0.000 0.493 308 S N 2.091 117.833 115.700 0.070 0.000 2.406 308 S HA 0.089 4.560 4.470 0.002 0.000 0.228 308 S C 1.972 176.655 174.600 0.139 0.000 1.020 308 S CA 0.805 59.064 58.200 0.097 0.000 0.965 308 S CB -0.362 62.903 63.200 0.109 0.000 0.798 308 S HN 0.449 nan 8.310 nan 0.000 0.488 309 A N 1.844 124.737 122.820 0.121 0.000 1.897 309 A HA 0.186 4.507 4.320 0.002 0.000 0.215 309 A C 2.226 179.830 177.584 0.033 0.000 1.181 309 A CA 1.346 53.466 52.037 0.137 0.000 0.620 309 A CB -0.939 18.074 19.000 0.022 0.000 0.821 309 A HN 0.593 nan 8.150 nan 0.000 0.443 310 L N -0.002 121.230 121.223 0.016 0.000 2.012 310 L HA -0.104 4.237 4.340 0.002 0.000 0.210 310 L C 2.599 179.494 176.870 0.042 0.000 1.073 310 L CA 2.399 57.247 54.840 0.013 0.000 0.748 310 L CB -0.707 41.361 42.059 0.016 0.000 0.891 310 L HN 0.326 nan 8.230 nan 0.000 0.431 311 A N -0.961 121.898 122.820 0.065 0.000 1.908 311 A HA -0.208 4.113 4.320 0.002 0.000 0.218 311 A C 2.341 180.004 177.584 0.131 0.000 1.181 311 A CA 2.156 54.240 52.037 0.079 0.000 0.627 311 A CB -1.070 17.965 19.000 0.058 0.000 0.818 311 A HN 0.611 nan 8.150 nan 0.000 0.445 312 S N 0.024 115.833 115.700 0.183 0.000 2.382 312 S HA -0.123 4.348 4.470 0.002 0.000 0.228 312 S C 1.914 176.686 174.600 0.286 0.000 1.027 312 S CA 1.433 59.806 58.200 0.289 0.000 0.991 312 S CB -0.189 63.244 63.200 0.388 0.000 0.823 312 S HN 0.441 nan 8.310 nan 0.000 0.469 313 K N 2.117 122.619 120.400 0.170 0.000 2.097 313 K HA 0.232 4.553 4.320 0.002 0.000 0.205 313 K C 2.280 178.959 176.600 0.130 0.000 1.050 313 K CA 1.222 57.606 56.287 0.162 0.000 0.938 313 K CB -1.102 31.398 32.500 -0.000 0.000 0.718 313 K HN 0.362 nan 8.250 nan 0.000 0.442 314 A N 0.701 123.557 122.820 0.060 0.000 1.898 314 A HA -0.134 4.187 4.320 0.002 0.000 0.216 314 A C 2.148 179.833 177.584 0.169 0.000 1.181 314 A CA 2.447 54.514 52.037 0.051 0.000 0.620 314 A CB -0.750 18.288 19.000 0.064 0.000 0.819 314 A HN 0.477 nan 8.150 nan 0.000 0.442 315 T N -5.454 109.219 114.554 0.198 0.000 3.014 315 T HA 0.423 4.774 4.350 0.002 0.000 0.250 315 T C 1.432 176.318 174.700 0.311 0.000 1.060 315 T CA 1.097 63.335 62.100 0.229 0.000 1.040 315 T CB 0.366 69.348 68.868 0.191 0.000 0.971 315 T HN 1.698 nan 8.240 nan 0.000 0.497 316 G N 1.168 110.205 108.800 0.396 0.000 2.176 316 G HA2 -0.218 3.743 3.960 0.002 0.000 0.253 316 G HA3 -0.218 3.743 3.960 0.002 0.000 0.253 316 G C -0.219 174.974 174.900 0.487 0.000 0.979 316 G CA -0.020 45.366 45.100 0.476 0.000 0.641 316 G HN 0.625 nan 8.290 nan 0.000 0.530 317 F N 3.403 123.529 119.950 0.293 0.000 2.391 317 F HA 0.611 5.139 4.527 0.002 0.000 0.359 317 F C -2.000 173.952 175.800 0.253 0.000 1.122 317 F CA -3.271 54.877 58.000 0.246 0.000 1.120 317 F CB 1.694 40.769 39.000 0.125 0.000 1.142 317 F HN -0.078 nan 8.300 nan 0.000 0.483 318 P HA 0.139 nan 4.420 nan 0.000 0.244 318 P C 1.319 178.803 177.300 0.308 0.000 1.769 318 P CA 0.286 63.565 63.100 0.299 0.000 1.102 318 P CB -0.030 31.771 31.700 0.168 0.000 1.937 319 I N 1.901 122.749 120.570 0.463 0.000 2.074 319 I HA -0.380 3.791 4.170 0.002 0.000 0.238 319 I C 2.290 178.526 176.117 0.198 0.000 1.037 319 I CA 2.242 63.766 61.300 0.373 0.000 1.301 319 I CB -1.014 37.127 38.000 0.235 0.000 1.016 319 I HN 0.199 nan 8.210 nan 0.000 0.400 320 A N 0.251 123.126 122.820 0.092 0.000 1.940 320 A HA -0.246 4.075 4.320 0.002 0.000 0.219 320 A C 2.319 179.898 177.584 -0.009 0.000 1.176 320 A CA 1.887 53.929 52.037 0.009 0.000 0.631 320 A CB -0.503 18.436 19.000 -0.102 0.000 0.814 320 A HN 0.374 nan 8.150 nan 0.000 0.446 321 K N -0.701 119.685 120.400 -0.024 0.000 2.057 321 K HA -0.039 4.282 4.320 0.002 0.000 0.206 321 K C 1.901 178.497 176.600 -0.006 0.000 1.050 321 K CA 1.320 57.588 56.287 -0.032 0.000 0.935 321 K CB -0.254 32.222 32.500 -0.040 0.000 0.715 321 K HN 0.289 nan 8.250 nan 0.000 0.439 322 V N 1.079 121.012 119.914 0.032 0.000 2.270 322 V HA -0.259 3.862 4.120 0.002 0.000 0.245 322 V C 2.262 178.402 176.094 0.076 0.000 1.043 322 V CA 2.077 64.408 62.300 0.051 0.000 1.014 322 V CB -0.677 31.221 31.823 0.126 0.000 0.645 322 V HN 0.391 nan 8.190 nan 0.000 0.447 323 A N -0.039 122.841 122.820 0.101 0.000 1.948 323 A HA -0.221 4.100 4.320 0.002 0.000 0.220 323 A C 2.378 179.993 177.584 0.052 0.000 1.177 323 A CA 2.405 54.492 52.037 0.082 0.000 0.636 323 A CB -0.790 18.259 19.000 0.081 0.000 0.815 323 A HN 0.620 nan 8.150 nan 0.000 0.449 324 A N -0.550 122.287 122.820 0.029 0.000 1.930 324 A HA -0.118 4.203 4.320 0.002 0.000 0.217 324 A C 2.106 179.703 177.584 0.022 0.000 1.175 324 A CA 1.703 53.745 52.037 0.008 0.000 0.627 324 A CB -0.351 18.643 19.000 -0.010 0.000 0.815 324 A HN 0.549 nan 8.150 nan 0.000 0.443 325 K N -0.880 119.543 120.400 0.038 0.000 2.155 325 K HA 0.001 4.322 4.320 0.002 0.000 0.203 325 K C 1.513 178.250 176.600 0.228 0.000 1.052 325 K CA 0.805 57.151 56.287 0.100 0.000 0.948 325 K CB -0.199 32.241 32.500 -0.100 0.000 0.728 325 K HN 0.278 nan 8.250 nan 0.000 0.448 326 L N 0.630 121.939 121.223 0.144 0.000 2.217 326 L HA -0.041 4.300 4.340 0.002 0.000 0.211 326 L C 2.214 179.144 176.870 0.100 0.000 1.107 326 L CA 1.287 56.218 54.840 0.150 0.000 0.783 326 L CB -0.895 41.231 42.059 0.111 0.000 0.919 326 L HN 0.098 nan 8.230 nan 0.000 0.442 327 A N -0.426 122.431 122.820 0.062 0.000 1.972 327 A HA -0.117 4.204 4.320 0.002 0.000 0.219 327 A C 1.710 179.286 177.584 -0.014 0.000 1.169 327 A CA 1.639 53.684 52.037 0.014 0.000 0.635 327 A CB -0.729 18.263 19.000 -0.013 0.000 0.810 327 A HN 0.298 nan 8.150 nan 0.000 0.446 328 V N -4.171 115.741 119.914 -0.004 0.000 3.110 328 V HA 0.617 4.738 4.120 0.002 0.000 0.368 328 V C 1.080 177.156 176.094 -0.030 0.000 1.332 328 V CA 0.461 62.729 62.300 -0.052 0.000 1.287 328 V CB -0.952 30.746 31.823 -0.209 0.000 1.277 328 V HN 1.310 nan 8.190 nan 0.000 0.502 329 G N -0.497 108.296 108.800 -0.011 0.000 2.254 329 G HA2 -0.285 3.676 3.960 0.002 0.000 0.225 329 G HA3 -0.285 3.676 3.960 0.002 0.000 0.225 329 G C -0.036 174.817 174.900 -0.078 0.000 1.003 329 G CA 0.102 45.158 45.100 -0.073 0.000 0.622 329 G HN 0.577 nan 8.290 nan 0.000 0.507 330 Y N 2.295 122.623 120.300 0.048 0.000 2.426 330 Y HA 0.438 4.989 4.550 0.002 0.000 0.344 330 Y C 1.461 177.390 175.900 0.048 0.000 1.256 330 Y CA 0.943 59.074 58.100 0.050 0.000 1.451 330 Y CB 0.853 39.345 38.460 0.054 0.000 1.342 330 Y HN 0.291 nan 8.280 nan 0.000 0.600 331 T N -0.932 113.772 114.554 0.249 0.000 2.885 331 T HA 0.372 4.723 4.350 0.002 0.000 0.285 331 T C 0.781 175.575 174.700 0.156 0.000 1.019 331 T CA -0.938 61.258 62.100 0.160 0.000 1.010 331 T CB 1.117 70.053 68.868 0.113 0.000 1.022 331 T HN 0.657 nan 8.240 nan 0.000 0.466 332 L N 1.084 122.388 121.223 0.134 0.000 2.021 332 L HA -0.175 4.166 4.340 0.002 0.000 0.215 332 L C 2.542 179.486 176.870 0.123 0.000 1.074 332 L CA 2.046 56.968 54.840 0.137 0.000 0.760 332 L CB -0.643 41.507 42.059 0.151 0.000 0.889 332 L HN 0.829 nan 8.230 nan 0.000 0.433 333 D N -0.645 119.822 120.400 0.111 0.000 2.310 333 D HA -0.207 4.434 4.640 0.002 0.000 0.212 333 D C 1.685 178.031 176.300 0.078 0.000 0.965 333 D CA 0.993 55.047 54.000 0.091 0.000 0.879 333 D CB -0.249 40.597 40.800 0.077 0.000 0.921 333 D HN 0.454 nan 8.370 nan 0.000 0.510 334 E N -0.180 120.080 120.200 0.100 0.000 2.122 334 E HA 0.109 4.460 4.350 0.002 0.000 0.190 334 E C 0.648 177.284 176.600 0.060 0.000 0.977 334 E CA 0.074 56.540 56.400 0.111 0.000 0.820 334 E CB 0.258 30.086 29.700 0.213 0.000 0.770 334 E HN 0.291 nan 8.360 nan 0.000 0.462 335 L N 1.294 122.535 121.223 0.030 0.000 2.418 335 L HA 0.264 4.605 4.340 0.002 0.000 0.265 335 L C 0.161 177.011 176.870 -0.033 0.000 1.143 335 L CA -0.305 54.507 54.840 -0.046 0.000 0.809 335 L CB 0.652 42.669 42.059 -0.070 0.000 1.124 335 L HN 0.002 nan 8.230 nan 0.000 0.456 336 M N 1.672 121.234 119.600 -0.064 0.000 2.367 336 M HA 0.249 4.730 4.480 0.002 0.000 0.339 336 M C -0.180 176.069 176.300 -0.086 0.000 1.177 336 M CA -0.499 54.760 55.300 -0.069 0.000 1.068 336 M CB 1.177 33.734 32.600 -0.071 0.000 1.602 336 M HN 0.390 nan 8.290 nan 0.000 0.457 337 N N 1.327 119.966 118.700 -0.101 0.000 2.420 337 N HA 0.024 4.765 4.740 0.002 0.000 0.262 337 N C 0.118 175.569 175.510 -0.098 0.000 1.144 337 N CA 0.276 53.266 53.050 -0.101 0.000 0.952 337 N CB 0.598 39.011 38.487 -0.123 0.000 1.081 337 N HN 0.541 nan 8.380 nan 0.000 0.480 338 D N 2.700 123.052 120.400 -0.079 0.000 2.156 338 D HA -0.222 4.419 4.640 0.002 0.000 0.190 338 D C 1.658 177.884 176.300 -0.124 0.000 0.998 338 D CA 1.815 55.783 54.000 -0.052 0.000 0.842 338 D CB -0.177 40.663 40.800 0.067 0.000 0.974 338 D HN 0.790 nan 8.370 nan 0.000 0.447 339 I N -0.943 119.510 120.570 -0.195 0.000 3.176 339 I HA -0.043 4.128 4.170 0.002 0.000 0.275 339 I C 1.010 177.068 176.117 -0.099 0.000 1.298 339 I CA 1.200 62.371 61.300 -0.216 0.000 1.445 339 I CB -0.491 37.323 38.000 -0.311 0.000 1.075 339 I HN -0.080 nan 8.210 nan 0.000 0.482 340 T N -2.036 112.466 114.554 -0.087 0.000 3.244 340 T HA 0.490 4.841 4.350 0.002 0.000 0.254 340 T C 1.361 176.013 174.700 -0.080 0.000 1.024 340 T CA 0.116 62.173 62.100 -0.071 0.000 0.920 340 T CB 0.022 68.813 68.868 -0.129 0.000 1.042 340 T HN 0.665 nan 8.240 nan 0.000 0.572 341 G N 0.740 109.497 108.800 -0.073 0.000 2.143 341 G HA2 0.034 3.995 3.960 0.002 0.000 0.248 341 G HA3 0.034 3.995 3.960 0.002 0.000 0.248 341 G C 1.101 175.961 174.900 -0.067 0.000 0.991 341 G CA 0.248 45.313 45.100 -0.058 0.000 0.689 341 G HN 1.775 nan 8.290 nan 0.000 0.522 342 G N -1.150 107.597 108.800 -0.089 0.000 2.184 342 G HA2 -0.320 3.641 3.960 0.002 0.000 0.264 342 G HA3 -0.320 3.641 3.960 0.002 0.000 0.264 342 G C 1.110 175.943 174.900 -0.113 0.000 0.975 342 G CA 1.094 46.140 45.100 -0.090 0.000 0.642 342 G HN 1.004 nan 8.290 nan 0.000 0.536 343 R N 0.553 120.971 120.500 -0.137 0.000 2.152 343 R HA 0.156 4.497 4.340 0.002 0.000 0.232 343 R C 1.872 178.016 176.300 -0.259 0.000 1.117 343 R CA 1.716 57.716 56.100 -0.166 0.000 0.981 343 R CB -0.239 29.970 30.300 -0.151 0.000 0.870 343 R HN 0.784 nan 8.270 nan 0.000 0.451 344 T N -2.437 111.921 114.554 -0.328 0.000 2.908 344 T HA 0.574 4.925 4.350 0.002 0.000 0.290 344 T C -2.800 171.745 174.700 -0.258 0.000 1.034 344 T CA -2.659 59.194 62.100 -0.412 0.000 1.010 344 T CB 2.823 71.232 68.868 -0.765 0.000 1.068 344 T HN -0.242 nan 8.240 nan 0.000 0.481 345 P HA 0.336 nan 4.420 nan 0.000 0.275 345 P C 0.308 177.666 177.300 0.097 0.000 1.266 345 P CA -0.469 62.614 63.100 -0.027 0.000 0.793 345 P CB 0.446 32.165 31.700 0.033 0.000 1.074 346 A N 0.001 122.913 122.820 0.153 0.000 2.218 346 A HA 0.063 4.384 4.320 0.002 0.000 0.209 346 A C 0.958 178.814 177.584 0.453 0.000 1.168 346 A CA 0.332 52.528 52.037 0.265 0.000 0.804 346 A CB -1.053 17.974 19.000 0.044 0.000 0.834 346 A HN 0.544 nan 8.150 nan 0.000 0.482 347 S N 0.853 116.763 115.700 0.350 0.000 3.072 347 S HA 0.562 5.033 4.470 0.002 0.000 0.306 347 S C -0.395 174.453 174.600 0.415 0.000 1.207 347 S CA -0.490 57.887 58.200 0.296 0.000 1.008 347 S CB -1.249 62.060 63.200 0.181 0.000 1.390 347 S HN 0.906 nan 8.310 nan 0.000 0.523 348 F N -1.628 118.422 119.950 0.167 0.000 2.842 348 F HA 0.587 5.115 4.527 0.002 0.000 0.319 348 F C -1.558 174.331 175.800 0.147 0.000 1.159 348 F CA -1.178 56.906 58.000 0.140 0.000 0.902 348 F CB 0.795 39.872 39.000 0.128 0.000 1.311 348 F HN 0.212 nan 8.300 nan 0.000 0.453 349 E N 2.751 122.873 120.200 -0.129 0.000 2.133 349 E HA 0.405 4.756 4.350 0.002 0.000 0.274 349 E C -2.588 173.931 176.600 -0.135 0.000 0.930 349 E CA -2.016 54.237 56.400 -0.244 0.000 0.770 349 E CB 1.781 31.456 29.700 -0.041 0.000 1.104 349 E HN 0.293 nan 8.360 nan 0.000 0.403 350 P HA 0.006 nan 4.420 nan 0.000 0.269 350 P C -0.768 176.592 177.300 0.099 0.000 1.215 350 P CA -0.169 63.007 63.100 0.127 0.000 0.780 350 P CB 0.807 32.566 31.700 0.097 0.000 0.898 351 S N 1.276 117.054 115.700 0.131 0.000 2.594 351 S HA 0.713 5.184 4.470 0.002 0.000 0.296 351 S C -0.608 173.956 174.600 -0.060 0.000 1.124 351 S CA -0.783 57.426 58.200 0.014 0.000 1.011 351 S CB -0.088 63.125 63.200 0.021 0.000 1.016 351 S HN 0.359 nan 8.310 nan 0.000 0.485 352 I N 1.673 122.121 120.570 -0.203 0.000 2.530 352 I HA 0.679 4.850 4.170 0.002 0.000 0.297 352 I C -0.718 175.113 176.117 -0.477 0.000 1.011 352 I CA -0.917 60.094 61.300 -0.481 0.000 1.107 352 I CB 2.142 39.635 38.000 -0.845 0.000 1.285 352 I HN 0.489 nan 8.210 nan 0.000 0.436 353 D N 4.890 125.006 120.400 -0.474 0.000 2.895 353 D HA 0.276 4.917 4.640 0.002 0.000 0.258 353 D C -0.570 175.707 176.300 -0.039 0.000 1.311 353 D CA -0.148 53.746 54.000 -0.177 0.000 0.843 353 D CB -0.413 40.383 40.800 -0.006 0.000 1.055 353 D HN 0.749 nan 8.370 nan 0.000 0.486 354 Y N -3.647 116.649 120.300 -0.007 0.000 2.871 354 Y HA 0.658 5.209 4.550 0.002 0.000 0.331 354 Y C -1.602 174.267 175.900 -0.051 0.000 1.378 354 Y CA -1.731 56.342 58.100 -0.044 0.000 1.079 354 Y CB 0.769 39.106 38.460 -0.206 0.000 1.441 354 Y HN -0.216 nan 8.280 nan 0.000 0.446 355 V N 1.983 122.039 119.914 0.237 0.000 2.540 355 V HA 0.611 4.732 4.120 0.002 0.000 0.302 355 V C -0.762 175.418 176.094 0.142 0.000 1.035 355 V CA -0.854 61.551 62.300 0.175 0.000 0.873 355 V CB 1.547 33.478 31.823 0.180 0.000 0.992 355 V HN 0.644 nan 8.190 nan 0.000 0.428 356 V N 3.602 123.595 119.914 0.131 0.000 2.435 356 V HA 0.609 4.730 4.120 0.002 0.000 0.290 356 V C 0.136 176.263 176.094 0.056 0.000 1.030 356 V CA -0.210 62.121 62.300 0.052 0.000 0.881 356 V CB 1.973 33.819 31.823 0.038 0.000 0.983 356 V HN 0.972 nan 8.190 nan 0.000 0.445 357 T N 5.033 119.599 114.554 0.020 0.000 2.848 357 T HA 0.461 4.812 4.350 0.002 0.000 0.285 357 T C -0.619 174.079 174.700 -0.003 0.000 0.995 357 T CA -0.706 61.402 62.100 0.014 0.000 0.970 357 T CB 1.623 70.488 68.868 -0.006 0.000 0.976 357 T HN 0.688 nan 8.240 nan 0.000 0.441 358 K N 3.725 124.119 120.400 -0.011 0.000 2.324 358 K HA 0.653 4.974 4.320 0.002 0.000 0.253 358 K C -1.470 175.102 176.600 -0.047 0.000 0.932 358 K CA -0.733 55.547 56.287 -0.011 0.000 0.799 358 K CB 1.220 33.722 32.500 0.004 0.000 1.154 358 K HN 0.604 nan 8.250 nan 0.000 0.425 359 I N 5.557 126.095 120.570 -0.052 0.000 2.466 359 I HA 0.331 4.502 4.170 0.002 0.000 0.289 359 I C -2.263 173.813 176.117 -0.069 0.000 1.026 359 I CA -2.683 58.573 61.300 -0.073 0.000 1.078 359 I CB 2.235 40.172 38.000 -0.105 0.000 1.249 359 I HN 0.504 nan 8.210 nan 0.000 0.429 360 P HA 0.203 nan 4.420 nan 0.000 0.272 360 P C -0.965 176.115 177.300 -0.368 0.000 1.230 360 P CA -0.535 62.398 63.100 -0.280 0.000 0.788 360 P CB 0.780 32.212 31.700 -0.448 0.000 0.949 361 R N 1.536 121.755 120.500 -0.468 0.000 2.437 361 R HA 0.607 4.948 4.340 0.002 0.000 0.310 361 R C -1.218 174.783 176.300 -0.497 0.000 0.955 361 R CA -0.509 55.410 56.100 -0.301 0.000 0.851 361 R CB -0.110 30.104 30.300 -0.143 0.000 1.161 361 R HN 0.288 nan 8.270 nan 0.000 0.446 362 F N 1.607 121.561 119.950 0.006 0.000 2.557 362 F HA 0.465 4.993 4.527 0.002 0.000 0.336 362 F C 0.776 176.510 175.800 -0.111 0.000 1.058 362 F CA -0.746 57.185 58.000 -0.114 0.000 0.988 362 F CB 1.871 40.788 39.000 -0.139 0.000 1.275 362 F HN 0.542 nan 8.300 nan 0.000 0.488 363 N N -0.128 118.564 118.700 -0.013 0.000 2.536 363 N HA 0.206 4.947 4.740 0.002 0.000 0.286 363 N C 0.370 175.916 175.510 0.060 0.000 1.577 363 N CA -0.006 53.068 53.050 0.040 0.000 0.883 363 N CB 0.126 38.676 38.487 0.106 0.000 1.390 363 N HN 0.378 nan 8.380 nan 0.000 0.491 364 F N 1.737 121.805 119.950 0.196 0.000 2.287 364 F HA -0.198 4.329 4.527 0.002 0.000 0.301 364 F C 2.647 178.452 175.800 0.008 0.000 1.069 364 F CA 0.994 59.054 58.000 0.100 0.000 1.372 364 F CB 0.006 39.028 39.000 0.038 0.000 1.056 364 F HN 0.347 nan 8.300 nan 0.000 0.523 365 E N 0.929 121.209 120.200 0.133 0.000 2.347 365 E HA -0.177 4.174 4.350 0.002 0.000 0.196 365 E C 1.347 177.868 176.600 -0.132 0.000 1.008 365 E CA 0.981 57.386 56.400 0.010 0.000 0.852 365 E CB -0.535 29.162 29.700 -0.005 0.000 0.783 365 E HN 0.398 nan 8.360 nan 0.000 0.505 366 K N -0.049 120.164 120.400 -0.311 0.000 2.426 366 K HA 0.109 4.430 4.320 0.002 0.000 0.193 366 K C -0.266 175.655 176.600 -1.132 0.000 1.028 366 K CA 0.187 56.044 56.287 -0.717 0.000 1.047 366 K CB 0.205 32.134 32.500 -0.952 0.000 0.821 366 K HN 0.066 nan 8.250 nan 0.000 0.513 367 F N 0.013 119.894 119.950 -0.115 0.000 2.622 367 F HA 0.333 4.861 4.527 0.001 0.000 0.338 367 F C 1.078 176.838 175.800 -0.067 0.000 1.334 367 F CA -0.906 57.010 58.000 -0.140 0.000 1.179 367 F CB 0.426 39.126 39.000 -0.501 0.000 1.471 367 F HN -0.147 nan 8.300 nan 0.000 0.576 368 A N 1.513 124.359 122.820 0.044 0.000 1.873 368 A HA -0.232 4.089 4.320 0.002 0.000 0.219 368 A C 2.517 180.132 177.584 0.052 0.000 1.269 368 A CA 2.439 54.497 52.037 0.034 0.000 0.671 368 A CB -1.302 17.703 19.000 0.009 0.000 0.842 368 A HN 0.728 nan 8.150 nan 0.000 0.460 369 G N -0.778 108.063 108.800 0.068 0.000 2.527 369 G HA2 0.247 4.208 3.960 0.002 0.000 0.219 369 G HA3 0.247 4.208 3.960 0.002 0.000 0.219 369 G C 0.730 175.678 174.900 0.081 0.000 1.117 369 G CA 0.980 46.117 45.100 0.063 0.000 0.759 369 G HN 1.025 nan 8.290 nan 0.000 0.556 370 A N 0.273 123.162 122.820 0.116 0.000 2.407 370 A HA 0.348 4.669 4.320 0.002 0.000 0.248 370 A C 0.637 178.262 177.584 0.068 0.000 1.082 370 A CA -0.515 51.610 52.037 0.146 0.000 0.785 370 A CB 0.230 19.318 19.000 0.147 0.000 1.020 370 A HN 0.268 nan 8.150 nan 0.000 0.489 371 N N 1.347 120.107 118.700 0.101 0.000 2.416 371 N HA -0.010 4.731 4.740 0.002 0.000 0.265 371 N C -0.411 175.034 175.510 -0.108 0.000 1.195 371 N CA 0.145 53.198 53.050 0.005 0.000 0.943 371 N CB 0.766 39.284 38.487 0.052 0.000 1.115 371 N HN 0.605 nan 8.380 nan 0.000 0.481 372 D N 2.433 122.596 120.400 -0.396 0.000 2.342 372 D HA 0.039 4.680 4.640 0.002 0.000 0.221 372 D C -0.103 175.746 176.300 -0.753 0.000 1.101 372 D CA -0.024 53.334 54.000 -1.069 0.000 0.837 372 D CB 0.165 40.241 40.800 -1.206 0.000 0.938 372 D HN 0.224 nan 8.370 nan 0.000 0.508 373 R N 0.845 121.153 120.500 -0.320 0.000 2.357 373 R HA 0.373 4.714 4.340 0.002 0.000 0.296 373 R C 0.270 176.541 176.300 -0.048 0.000 1.052 373 R CA -0.666 55.328 56.100 -0.176 0.000 0.988 373 R CB 1.192 31.426 30.300 -0.111 0.000 1.025 373 R HN 0.193 nan 8.270 nan 0.000 0.469 374 L N 1.582 122.795 121.223 -0.016 0.000 2.410 374 L HA 0.208 4.549 4.340 0.002 0.000 0.273 374 L C 1.215 178.147 176.870 0.104 0.000 1.152 374 L CA 0.318 55.206 54.840 0.081 0.000 0.855 374 L CB 0.591 42.704 42.059 0.091 0.000 1.129 374 L HN 0.639 nan 8.230 nan 0.000 0.463 375 T N -0.761 113.876 114.554 0.138 0.000 2.572 375 T HA 0.202 4.553 4.350 0.002 0.000 0.274 375 T C 1.017 175.802 174.700 0.142 0.000 0.949 375 T CA 0.383 62.559 62.100 0.126 0.000 1.126 375 T CB 1.236 70.171 68.868 0.111 0.000 1.478 375 T HN 0.724 nan 8.240 nan 0.000 0.492 376 T N -0.584 114.038 114.554 0.113 0.000 3.067 376 T HA 0.175 4.526 4.350 0.002 0.000 0.261 376 T C 0.783 175.579 174.700 0.161 0.000 1.110 376 T CA 0.388 62.572 62.100 0.140 0.000 1.113 376 T CB -0.093 68.822 68.868 0.078 0.000 0.917 376 T HN 0.498 nan 8.240 nan 0.000 0.499 377 Q N 1.040 120.888 119.800 0.080 0.000 2.256 377 Q HA 0.396 4.737 4.340 0.002 0.000 0.254 377 Q C -0.643 175.338 176.000 -0.031 0.000 0.916 377 Q CA -0.488 55.314 55.803 -0.002 0.000 0.932 377 Q CB 0.941 29.657 28.738 -0.035 0.000 1.207 377 Q HN 0.415 nan 8.270 nan 0.000 0.426 378 M N 3.630 123.122 119.600 -0.181 0.000 2.245 378 M HA 0.022 4.503 4.480 0.002 0.000 0.344 378 M C 0.562 176.819 176.300 -0.071 0.000 1.170 378 M CA 1.044 56.254 55.300 -0.149 0.000 1.135 378 M CB 0.575 32.992 32.600 -0.305 0.000 1.574 378 M HN 0.597 nan 8.290 nan 0.000 0.452 379 K N 0.129 120.587 120.400 0.096 0.000 2.491 379 K HA 0.113 4.434 4.320 0.002 0.000 0.211 379 K C 0.199 176.897 176.600 0.163 0.000 1.210 379 K CA -0.052 56.325 56.287 0.150 0.000 1.003 379 K CB 0.802 33.565 32.500 0.439 0.000 1.009 379 K HN 0.784 nan 8.250 nan 0.000 0.577 380 S N 0.717 116.465 115.700 0.079 0.000 2.572 380 S HA 0.076 4.547 4.470 0.002 0.000 0.279 380 S C 1.174 175.657 174.600 -0.196 0.000 1.341 380 S CA -0.636 57.383 58.200 -0.302 0.000 1.043 380 S CB 1.382 64.113 63.200 -0.781 0.000 0.887 380 S HN 0.063 nan 8.310 nan 0.000 0.516 381 V N -0.510 119.285 119.914 -0.198 0.000 3.660 381 V HA 0.651 4.772 4.120 0.002 0.000 0.276 381 V C 0.879 176.907 176.094 -0.110 0.000 1.317 381 V CA 0.615 62.852 62.300 -0.104 0.000 1.097 381 V CB -0.945 30.856 31.823 -0.037 0.000 0.863 381 V HN 1.217 nan 8.190 nan 0.000 0.438 382 G N 0.427 109.126 108.800 -0.168 0.000 2.494 382 G HA2 0.614 4.575 3.960 0.002 0.000 0.308 382 G HA3 0.614 4.575 3.960 0.002 0.000 0.308 382 G C -1.681 173.123 174.900 -0.159 0.000 1.263 382 G CA -0.007 45.016 45.100 -0.130 0.000 0.840 382 G HN 0.704 nan 8.290 nan 0.000 0.479 383 E N -2.059 118.078 120.200 -0.105 0.000 2.388 383 E HA 0.583 4.934 4.350 0.002 0.000 0.281 383 E C -2.109 174.468 176.600 -0.039 0.000 1.046 383 E CA -0.917 55.431 56.400 -0.088 0.000 0.825 383 E CB 2.136 31.791 29.700 -0.074 0.000 1.243 383 E HN 0.965 nan 8.360 nan 0.000 0.438 384 V N 2.191 122.094 119.914 -0.018 0.000 2.960 384 V HA 0.780 4.901 4.120 0.002 0.000 0.315 384 V C -0.987 175.149 176.094 0.070 0.000 1.087 384 V CA -0.754 61.561 62.300 0.025 0.000 0.982 384 V CB 1.987 33.819 31.823 0.015 0.000 1.039 384 V HN 0.847 nan 8.190 nan 0.000 0.437 385 M N 4.839 124.548 119.600 0.181 0.000 2.550 385 M HA 0.901 5.382 4.480 0.002 0.000 0.292 385 M C -1.354 175.127 176.300 0.301 0.000 1.221 385 M CA -0.438 54.992 55.300 0.217 0.000 0.873 385 M CB 2.129 34.867 32.600 0.230 0.000 1.727 385 M HN 0.898 nan 8.290 nan 0.000 0.459 386 A N 3.710 126.611 122.820 0.136 0.000 2.556 386 A HA 0.864 5.185 4.320 0.002 0.000 0.294 386 A C -1.659 175.904 177.584 -0.036 0.000 1.091 386 A CA -0.778 51.331 52.037 0.121 0.000 0.704 386 A CB 1.586 20.634 19.000 0.080 0.000 1.300 386 A HN 0.863 nan 8.150 nan 0.000 0.406 387 I N 0.992 121.506 120.570 -0.094 0.000 2.465 387 I HA 0.656 4.827 4.170 0.002 0.000 0.291 387 I C 0.460 176.424 176.117 -0.254 0.000 1.014 387 I CA -0.456 60.612 61.300 -0.387 0.000 1.093 387 I CB 2.287 39.726 38.000 -0.935 0.000 1.267 387 I HN 0.803 nan 8.210 nan 0.000 0.431 388 G N 4.068 112.749 108.800 -0.197 0.000 2.690 388 G HA2 0.384 4.344 3.960 0.002 0.000 0.293 388 G HA3 0.384 4.344 3.960 0.002 0.000 0.293 388 G C 0.122 175.067 174.900 0.075 0.000 1.399 388 G CA -0.513 44.594 45.100 0.011 0.000 0.890 388 G HN 0.440 nan 8.290 nan 0.000 0.485 389 R N -0.684 119.929 120.500 0.189 0.000 2.189 389 R HA 0.041 4.382 4.340 0.002 0.000 0.218 389 R C 1.166 177.559 176.300 0.156 0.000 1.074 389 R CA 1.273 57.498 56.100 0.209 0.000 0.991 389 R CB -0.228 30.199 30.300 0.211 0.000 0.883 389 R HN 0.717 nan 8.270 nan 0.000 0.457 390 T N -4.068 110.566 114.554 0.133 0.000 2.916 390 T HA 0.224 4.575 4.350 0.002 0.000 0.292 390 T C 0.746 175.521 174.700 0.124 0.000 1.064 390 T CA -0.881 61.291 62.100 0.121 0.000 1.011 390 T CB 2.297 71.218 68.868 0.089 0.000 1.152 390 T HN -0.178 nan 8.240 nan 0.000 0.510 391 Q N 0.360 120.249 119.800 0.148 0.000 2.119 391 Q HA -0.079 4.262 4.340 0.002 0.000 0.201 391 Q C 2.180 178.246 176.000 0.110 0.000 0.972 391 Q CA 1.870 57.782 55.803 0.182 0.000 0.847 391 Q CB -0.417 28.494 28.738 0.288 0.000 0.903 391 Q HN 0.797 nan 8.270 nan 0.000 0.433 392 Q N -0.087 119.743 119.800 0.050 0.000 2.046 392 Q HA -0.205 4.136 4.340 0.002 0.000 0.200 392 Q C 2.016 178.011 176.000 -0.008 0.000 0.975 392 Q CA 1.625 57.435 55.803 0.011 0.000 0.836 392 Q CB -0.150 28.569 28.738 -0.032 0.000 0.896 392 Q HN 0.576 nan 8.270 nan 0.000 0.428 393 E N 0.020 120.229 120.200 0.015 0.000 2.058 393 E HA -0.217 4.134 4.350 0.002 0.000 0.194 393 E C 2.064 178.682 176.600 0.030 0.000 0.997 393 E CA 1.347 57.763 56.400 0.026 0.000 0.801 393 E CB -0.084 29.664 29.700 0.079 0.000 0.746 393 E HN 0.149 nan 8.360 nan 0.000 0.450 394 S N -0.151 115.575 115.700 0.044 0.000 2.348 394 S HA -0.167 4.304 4.470 0.002 0.000 0.221 394 S C 1.956 176.557 174.600 0.001 0.000 1.033 394 S CA 1.221 59.440 58.200 0.031 0.000 1.010 394 S CB -0.427 62.807 63.200 0.056 0.000 0.891 394 S HN 0.362 nan 8.310 nan 0.000 0.442 395 L N 2.068 123.291 121.223 0.001 0.000 1.989 395 L HA -0.100 4.241 4.340 0.002 0.000 0.211 395 L C 2.450 179.237 176.870 -0.138 0.000 1.071 395 L CA 2.035 56.835 54.840 -0.067 0.000 0.749 395 L CB -1.087 40.965 42.059 -0.013 0.000 0.890 395 L HN 0.390 nan 8.230 nan 0.000 0.431 396 Q N -0.619 119.112 119.800 -0.114 0.000 2.226 396 Q HA -0.219 4.122 4.340 0.002 0.000 0.204 396 Q C 2.191 178.129 176.000 -0.103 0.000 0.975 396 Q CA 1.486 57.189 55.803 -0.167 0.000 0.866 396 Q CB -0.102 28.528 28.738 -0.181 0.000 0.915 396 Q HN 0.592 nan 8.270 nan 0.000 0.440 397 K N 0.226 120.600 120.400 -0.044 0.000 2.155 397 K HA -0.034 4.287 4.320 0.002 0.000 0.203 397 K C 2.081 178.682 176.600 0.002 0.000 1.052 397 K CA 0.840 57.132 56.287 0.009 0.000 0.948 397 K CB -0.014 32.520 32.500 0.057 0.000 0.728 397 K HN 0.094 nan 8.250 nan 0.000 0.448 398 A N 1.584 124.387 122.820 -0.030 0.000 1.877 398 A HA -0.138 4.183 4.320 0.002 0.000 0.216 398 A C 2.101 179.650 177.584 -0.059 0.000 1.186 398 A CA 1.155 53.173 52.037 -0.031 0.000 0.620 398 A CB -0.697 18.262 19.000 -0.068 0.000 0.822 398 A HN 0.147 nan 8.150 nan 0.000 0.443 399 L N -0.252 120.887 121.223 -0.140 0.000 2.021 399 L HA -0.276 4.065 4.340 0.002 0.000 0.215 399 L C 2.786 179.645 176.870 -0.018 0.000 1.074 399 L CA 2.172 56.919 54.840 -0.156 0.000 0.760 399 L CB -0.479 41.360 42.059 -0.367 0.000 0.889 399 L HN 0.634 nan 8.230 nan 0.000 0.433 400 R N -0.039 120.449 120.500 -0.020 0.000 2.307 400 R HA -0.007 4.334 4.340 0.002 0.000 0.199 400 R C 1.578 177.897 176.300 0.031 0.000 1.000 400 R CA 1.008 57.122 56.100 0.024 0.000 1.023 400 R CB -0.308 30.009 30.300 0.030 0.000 0.908 400 R HN 0.263 nan 8.270 nan 0.000 0.473 401 G N 0.523 109.338 108.800 0.025 0.000 3.159 401 G HA2 -0.007 3.954 3.960 0.002 0.000 0.232 401 G HA3 -0.007 3.954 3.960 0.002 0.000 0.232 401 G C 0.916 175.828 174.900 0.021 0.000 1.116 401 G CA -0.402 44.712 45.100 0.024 0.000 0.767 401 G HN 0.206 nan 8.290 nan 0.000 0.547 402 L N 0.579 121.824 121.223 0.036 0.000 2.456 402 L HA 0.116 4.457 4.340 0.002 0.000 0.224 402 L C 1.095 177.990 176.870 0.042 0.000 1.148 402 L CA 0.899 55.769 54.840 0.050 0.000 0.825 402 L CB -0.232 41.894 42.059 0.111 0.000 0.937 402 L HN 0.230 nan 8.230 nan 0.000 0.450 403 E N -1.055 119.163 120.200 0.029 0.000 2.513 403 E HA -0.190 4.161 4.350 0.002 0.000 0.257 403 E C 0.842 177.447 176.600 0.009 0.000 1.098 403 E CA 0.934 57.339 56.400 0.007 0.000 0.752 403 E CB -2.214 27.477 29.700 -0.014 0.000 1.324 403 E HN 0.497 nan 8.360 nan 0.000 0.403 404 V N -4.203 115.727 119.914 0.025 0.000 3.427 404 V HA 0.585 4.706 4.120 0.002 0.000 0.305 404 V C 1.356 177.417 176.094 -0.055 0.000 1.412 404 V CA 1.032 63.328 62.300 -0.007 0.000 1.086 404 V CB 0.719 32.551 31.823 0.017 0.000 0.964 404 V HN 0.557 nan 8.190 nan 0.000 0.439 405 G N 0.214 108.997 108.800 -0.027 0.000 2.176 405 G HA2 -0.104 3.857 3.960 0.002 0.000 0.253 405 G HA3 -0.104 3.857 3.960 0.002 0.000 0.253 405 G C 0.479 175.363 174.900 -0.027 0.000 0.979 405 G CA 0.229 45.306 45.100 -0.038 0.000 0.641 405 G HN 1.672 nan 8.290 nan 0.000 0.530 406 A N 0.044 122.868 122.820 0.006 0.000 2.351 406 A HA 0.752 5.073 4.320 0.002 0.000 0.257 406 A C 1.395 179.035 177.584 0.093 0.000 1.087 406 A CA 1.350 53.435 52.037 0.080 0.000 0.798 406 A CB 0.548 19.724 19.000 0.294 0.000 1.033 406 A HN 1.536 nan 8.150 nan 0.000 0.488 407 T N -1.907 112.712 114.554 0.109 0.000 3.043 407 T HA 0.551 4.902 4.350 0.002 0.000 0.272 407 T C 0.769 175.529 174.700 0.100 0.000 0.990 407 T CA 0.952 63.107 62.100 0.092 0.000 0.897 407 T CB -0.203 68.718 68.868 0.089 0.000 1.111 407 T HN 2.292 nan 8.240 nan 0.000 0.529 408 G N 1.353 110.216 108.800 0.106 0.000 2.384 408 G HA2 0.189 4.150 3.960 0.002 0.000 0.113 408 G HA3 0.189 4.150 3.960 0.002 0.000 0.113 408 G C -1.196 173.728 174.900 0.041 0.000 1.224 408 G CA -0.797 44.304 45.100 0.001 0.000 1.126 408 G HN 0.133 nan 8.290 nan 0.000 0.461 409 F N 3.335 123.393 119.950 0.179 0.000 2.783 409 F HA 0.315 4.843 4.527 0.002 0.000 0.338 409 F C 0.405 176.396 175.800 0.318 0.000 1.178 409 F CA -0.234 57.902 58.000 0.227 0.000 1.343 409 F CB -0.466 38.611 39.000 0.129 0.000 1.496 409 F HN 0.164 nan 8.300 nan 0.000 0.583 410 D N 2.387 123.058 120.400 0.452 0.000 2.472 410 D HA 0.023 4.664 4.640 0.002 0.000 0.237 410 D C -2.160 174.260 176.300 0.200 0.000 1.141 410 D CA -0.806 53.340 54.000 0.242 0.000 0.875 410 D CB 0.189 41.043 40.800 0.089 0.000 1.192 410 D HN 0.095 nan 8.370 nan 0.000 0.450 411 P HA 0.102 nan 4.420 nan 0.000 0.274 411 P C -0.113 177.142 177.300 -0.075 0.000 1.231 411 P CA -0.358 62.766 63.100 0.040 0.000 0.790 411 P CB 1.136 32.860 31.700 0.040 0.000 0.951 412 K N 0.749 121.051 120.400 -0.164 0.000 2.399 412 K HA 0.148 4.469 4.320 0.002 0.000 0.196 412 K C 0.277 176.800 176.600 -0.128 0.000 1.117 412 K CA 0.432 56.556 56.287 -0.271 0.000 0.965 412 K CB 0.366 32.424 32.500 -0.737 0.000 0.983 412 K HN 0.416 nan 8.250 nan 0.000 0.531 413 V N -1.558 118.320 119.914 -0.060 0.000 2.960 413 V HA 0.593 4.714 4.120 0.002 0.000 0.315 413 V C -0.198 175.911 176.094 0.026 0.000 1.087 413 V CA -1.208 61.110 62.300 0.031 0.000 0.982 413 V CB 1.595 33.482 31.823 0.108 0.000 1.039 413 V HN 0.001 nan 8.190 nan 0.000 0.437 414 S N 1.077 116.796 115.700 0.032 0.000 2.586 414 S HA 0.470 4.941 4.470 0.002 0.000 0.274 414 S C 0.828 175.449 174.600 0.035 0.000 1.281 414 S CA -0.571 57.646 58.200 0.028 0.000 1.035 414 S CB 0.816 64.029 63.200 0.022 0.000 0.962 414 S HN 0.737 nan 8.310 nan 0.000 0.512 415 L N 2.183 123.426 121.223 0.034 0.000 2.046 415 L HA -0.063 4.278 4.340 0.002 0.000 0.208 415 L C 1.360 178.249 176.870 0.032 0.000 1.077 415 L CA 1.586 56.448 54.840 0.036 0.000 0.747 415 L CB -0.513 41.567 42.059 0.035 0.000 0.896 415 L HN 0.779 nan 8.230 nan 0.000 0.432 416 D N -1.892 118.524 120.400 0.026 0.000 2.413 416 D HA -0.009 4.631 4.640 0.002 0.000 0.237 416 D C 0.047 176.360 176.300 0.022 0.000 1.171 416 D CA -0.156 53.857 54.000 0.022 0.000 0.839 416 D CB -0.394 40.417 40.800 0.018 0.000 0.950 416 D HN 0.067 nan 8.370 nan 0.000 0.499 417 D N 0.875 121.290 120.400 0.026 0.000 2.274 417 D HA 0.139 4.780 4.640 0.002 0.000 0.239 417 D C -1.477 174.839 176.300 0.026 0.000 1.104 417 D CA -2.471 51.545 54.000 0.026 0.000 0.840 417 D CB 1.982 42.801 40.800 0.031 0.000 1.100 417 D HN -0.142 nan 8.370 nan 0.000 0.477 418 P HA -0.019 nan 4.420 nan 0.000 0.221 418 P C 0.453 177.764 177.300 0.018 0.000 1.150 418 P CA 0.810 63.921 63.100 0.018 0.000 0.800 418 P CB 0.466 32.174 31.700 0.013 0.000 0.787 419 E N -0.930 119.282 120.200 0.019 0.000 2.476 419 E HA 0.216 4.567 4.350 0.002 0.000 0.196 419 E C 1.778 178.393 176.600 0.026 0.000 1.029 419 E CA -0.118 56.293 56.400 0.017 0.000 0.896 419 E CB -0.002 29.705 29.700 0.012 0.000 1.012 419 E HN 0.085 nan 8.360 nan 0.000 0.475 420 A N 1.269 124.111 122.820 0.037 0.000 1.884 420 A HA -0.224 4.097 4.320 0.002 0.000 0.219 420 A C 2.079 179.697 177.584 0.057 0.000 1.197 420 A CA 1.252 53.323 52.037 0.058 0.000 0.637 420 A CB -0.655 18.383 19.000 0.064 0.000 0.827 420 A HN 0.249 nan 8.150 nan 0.000 0.450 421 L N -0.835 120.413 121.223 0.042 0.000 2.187 421 L HA -0.169 4.172 4.340 0.002 0.000 0.213 421 L C 2.706 179.586 176.870 0.015 0.000 1.100 421 L CA 1.601 56.461 54.840 0.033 0.000 0.765 421 L CB -0.596 41.479 42.059 0.027 0.000 0.904 421 L HN 0.391 nan 8.230 nan 0.000 0.437 422 T N -0.566 113.993 114.554 0.008 0.000 2.812 422 T HA -0.133 4.218 4.350 0.002 0.000 0.264 422 T C 1.875 176.557 174.700 -0.030 0.000 1.042 422 T CA 1.139 63.232 62.100 -0.011 0.000 1.140 422 T CB 0.042 68.904 68.868 -0.010 0.000 0.870 422 T HN 0.329 nan 8.240 nan 0.000 0.445 423 K N 0.808 121.197 120.400 -0.018 0.000 2.026 423 K HA 0.047 4.368 4.320 0.002 0.000 0.208 423 K C 2.180 178.711 176.600 -0.114 0.000 1.048 423 K CA 1.120 57.375 56.287 -0.054 0.000 0.929 423 K CB -0.328 32.176 32.500 0.008 0.000 0.713 423 K HN 0.280 nan 8.250 nan 0.000 0.439 424 I N 1.144 121.714 120.570 -0.000 0.000 2.163 424 I HA -0.309 3.862 4.170 0.002 0.000 0.243 424 I C 2.821 178.900 176.117 -0.063 0.000 1.085 424 I CA 1.215 62.535 61.300 0.033 0.000 1.347 424 I CB -0.251 37.817 38.000 0.114 0.000 1.044 424 I HN 0.191 nan 8.210 nan 0.000 0.408 425 R N 0.915 121.388 120.500 -0.046 0.000 2.096 425 R HA -0.245 4.096 4.340 0.002 0.000 0.240 425 R C 2.579 178.823 176.300 -0.092 0.000 1.139 425 R CA 1.642 57.709 56.100 -0.056 0.000 0.952 425 R CB -0.329 29.949 30.300 -0.037 0.000 0.854 425 R HN 0.228 nan 8.270 nan 0.000 0.436 426 R N 0.882 121.311 120.500 -0.118 0.000 2.080 426 R HA -0.142 4.199 4.340 0.002 0.000 0.236 426 R C 1.716 177.907 176.300 -0.182 0.000 1.137 426 R CA 1.845 57.860 56.100 -0.141 0.000 0.943 426 R CB -0.441 29.770 30.300 -0.147 0.000 0.846 426 R HN 0.292 nan 8.270 nan 0.000 0.431 427 E N 0.628 120.659 120.200 -0.281 0.000 2.160 427 E HA -0.181 4.170 4.350 0.002 0.000 0.195 427 E C 2.005 178.503 176.600 -0.170 0.000 0.991 427 E CA 0.880 57.069 56.400 -0.352 0.000 0.810 427 E CB -0.112 29.066 29.700 -0.871 0.000 0.742 427 E HN 0.218 nan 8.360 nan 0.000 0.466 428 L N 0.760 121.912 121.223 -0.118 0.000 2.102 428 L HA -0.027 4.314 4.340 0.002 0.000 0.202 428 L C 2.380 179.210 176.870 -0.067 0.000 1.076 428 L CA 1.421 56.226 54.840 -0.058 0.000 0.761 428 L CB -0.589 41.439 42.059 -0.053 0.000 0.921 428 L HN -0.037 nan 8.230 nan 0.000 0.444 429 K N -0.558 119.794 120.400 -0.080 0.000 2.057 429 K HA -0.095 4.226 4.320 0.002 0.000 0.207 429 K C -0.264 176.288 176.600 -0.081 0.000 1.049 429 K CA 1.236 57.476 56.287 -0.078 0.000 0.931 429 K CB 0.151 32.603 32.500 -0.080 0.000 0.714 429 K HN 0.278 nan 8.250 nan 0.000 0.440 430 D N 0.941 121.282 120.400 -0.097 0.000 2.458 430 D HA 0.158 4.799 4.640 0.002 0.000 0.258 430 D C -1.107 175.137 176.300 -0.093 0.000 1.134 430 D CA -0.127 53.815 54.000 -0.098 0.000 0.915 430 D CB 1.351 42.076 40.800 -0.125 0.000 1.028 430 D HN 0.232 nan 8.370 nan 0.000 0.508 431 A N 1.702 124.491 122.820 -0.053 0.000 2.584 431 A HA 0.444 4.765 4.320 0.002 0.000 0.239 431 A C 0.857 178.405 177.584 -0.061 0.000 1.043 431 A CA 0.499 52.519 52.037 -0.028 0.000 0.756 431 A CB 0.458 19.470 19.000 0.020 0.000 0.963 431 A HN 0.561 nan 8.150 nan 0.000 0.511 432 G N -0.495 108.265 108.800 -0.066 0.000 3.211 432 G HA2 0.587 4.548 3.960 0.002 0.000 0.262 432 G HA3 0.587 4.548 3.960 0.002 0.000 0.262 432 G C 0.835 175.676 174.900 -0.099 0.000 1.352 432 G CA 0.151 45.166 45.100 -0.143 0.000 1.004 432 G HN 1.308 nan 8.290 nan 0.000 0.559 433 A N -0.815 121.916 122.820 -0.149 0.000 2.015 433 A HA 0.095 4.415 4.320 0.002 0.000 0.219 433 A C 1.491 179.265 177.584 0.317 0.000 1.163 433 A CA 1.896 53.880 52.037 -0.089 0.000 0.646 433 A CB -0.169 18.835 19.000 0.007 0.000 0.806 433 A HN 0.380 nan 8.150 nan 0.000 0.448 434 D N -1.136 119.475 120.400 0.353 0.000 2.339 434 D HA 0.041 4.682 4.640 0.002 0.000 0.217 434 D C 1.690 178.398 176.300 0.679 0.000 1.050 434 D CA 0.099 54.476 54.000 0.627 0.000 0.856 434 D CB -0.147 40.954 40.800 0.503 0.000 0.922 434 D HN 0.521 nan 8.370 nan 0.000 0.518 435 R N 0.731 121.478 120.500 0.412 0.000 2.119 435 R HA -0.203 4.138 4.340 0.002 0.000 0.246 435 R C 2.023 178.515 176.300 0.320 0.000 1.146 435 R CA 1.136 57.437 56.100 0.334 0.000 0.962 435 R CB -0.394 30.021 30.300 0.193 0.000 0.863 435 R HN 0.094 nan 8.270 nan 0.000 0.442 436 I N 0.212 120.885 120.570 0.171 0.000 2.248 436 I HA -0.291 3.880 4.170 0.002 0.000 0.248 436 I C 1.579 177.731 176.117 0.058 0.000 1.107 436 I CA 1.553 62.833 61.300 -0.035 0.000 1.373 436 I CB -0.228 37.469 38.000 -0.504 0.000 1.055 436 I HN 0.332 nan 8.210 nan 0.000 0.418 437 W N -0.975 120.442 121.300 0.195 0.000 2.476 437 W HA -0.135 4.526 4.660 0.002 0.000 0.281 437 W C 2.428 178.976 176.519 0.048 0.000 1.230 437 W CA 0.648 58.076 57.345 0.138 0.000 1.287 437 W CB -1.080 28.357 29.460 -0.038 0.000 1.108 437 W HN 0.188 nan 8.180 nan 0.000 0.567 438 Y N 0.418 120.911 120.300 0.321 0.000 2.421 438 Y HA -0.126 4.425 4.550 0.002 0.000 0.292 438 Y C 2.360 178.297 175.900 0.062 0.000 1.136 438 Y CA 0.955 59.154 58.100 0.165 0.000 1.255 438 Y CB -0.592 37.937 38.460 0.115 0.000 0.991 438 Y HN -0.170 nan 8.280 nan 0.000 0.552 439 I N -0.891 119.793 120.570 0.190 0.000 2.252 439 I HA -0.291 3.880 4.170 0.002 0.000 0.245 439 I C 2.500 178.525 176.117 -0.152 0.000 1.102 439 I CA 1.102 62.393 61.300 -0.014 0.000 1.385 439 I CB -0.372 37.677 38.000 0.082 0.000 1.064 439 I HN 0.181 nan 8.210 nan 0.000 0.414 440 A N 0.128 122.969 122.820 0.035 0.000 1.929 440 A HA -0.193 4.128 4.320 0.002 0.000 0.216 440 A C 1.924 179.552 177.584 0.072 0.000 1.176 440 A CA 1.638 53.695 52.037 0.033 0.000 0.628 440 A CB -0.444 18.563 19.000 0.011 0.000 0.816 440 A HN 0.292 nan 8.150 nan 0.000 0.444 441 D N 0.245 120.691 120.400 0.077 0.000 2.144 441 D HA -0.049 4.592 4.640 0.002 0.000 0.199 441 D C 2.228 178.558 176.300 0.052 0.000 0.984 441 D CA 1.396 55.441 54.000 0.075 0.000 0.834 441 D CB -0.352 40.488 40.800 0.067 0.000 0.955 441 D HN 0.402 nan 8.370 nan 0.000 0.465 442 A N 0.319 123.121 122.820 -0.030 0.000 1.908 442 A HA -0.186 4.135 4.320 0.002 0.000 0.218 442 A C 1.924 179.482 177.584 -0.042 0.000 1.181 442 A CA 1.075 53.056 52.037 -0.093 0.000 0.627 442 A CB -0.902 17.958 19.000 -0.234 0.000 0.818 442 A HN 0.145 nan 8.150 nan 0.000 0.445 443 F N -0.270 119.709 119.950 0.048 0.000 2.293 443 F HA -0.002 4.526 4.527 0.002 0.000 0.300 443 F C 2.458 178.273 175.800 0.025 0.000 1.086 443 F CA 1.027 59.043 58.000 0.026 0.000 1.375 443 F CB -0.416 38.582 39.000 -0.003 0.000 1.045 443 F HN 0.142 nan 8.300 nan 0.000 0.516 444 R N -0.411 120.208 120.500 0.198 0.000 2.153 444 R HA 0.088 4.429 4.340 0.002 0.000 0.218 444 R C 2.138 178.499 176.300 0.101 0.000 1.072 444 R CA 0.853 57.032 56.100 0.132 0.000 0.990 444 R CB -0.384 29.979 30.300 0.106 0.000 0.889 444 R HN 0.187 nan 8.270 nan 0.000 0.452 445 A N -0.031 122.847 122.820 0.096 0.000 2.208 445 A HA 0.209 4.530 4.320 0.002 0.000 0.209 445 A C 1.312 178.941 177.584 0.076 0.000 1.161 445 A CA 0.867 52.949 52.037 0.075 0.000 0.782 445 A CB 0.114 19.152 19.000 0.065 0.000 0.816 445 A HN 0.414 nan 8.150 nan 0.000 0.477 446 G N -1.471 107.390 108.800 0.103 0.000 2.134 446 G HA2 -0.152 3.809 3.960 0.002 0.000 0.209 446 G HA3 -0.152 3.809 3.960 0.002 0.000 0.209 446 G C -0.071 174.894 174.900 0.107 0.000 0.993 446 G CA 0.030 45.189 45.100 0.099 0.000 0.669 446 G HN 0.364 nan 8.290 nan 0.000 0.519 447 L N 2.106 123.404 121.223 0.125 0.000 2.326 447 L HA 0.584 4.925 4.340 0.002 0.000 0.278 447 L C 1.438 178.442 176.870 0.223 0.000 1.092 447 L CA -0.071 54.838 54.840 0.114 0.000 0.810 447 L CB 1.437 43.518 42.059 0.037 0.000 1.153 447 L HN 0.449 nan 8.230 nan 0.000 0.439 448 S N 1.929 117.745 115.700 0.193 0.000 2.655 448 S HA 0.202 4.673 4.470 0.002 0.000 0.265 448 S C 1.106 175.926 174.600 0.366 0.000 1.240 448 S CA -0.878 57.468 58.200 0.243 0.000 0.986 448 S CB 1.438 64.722 63.200 0.139 0.000 0.985 448 S HN 0.329 nan 8.310 nan 0.000 0.562 449 V N 1.174 121.295 119.914 0.344 0.000 2.343 449 V HA -0.151 3.970 4.120 0.002 0.000 0.247 449 V C 2.187 178.451 176.094 0.283 0.000 1.051 449 V CA 2.292 64.820 62.300 0.380 0.000 1.036 449 V CB -1.001 30.925 31.823 0.172 0.000 0.654 449 V HN 0.843 nan 8.190 nan 0.000 0.451 450 D N 0.377 120.890 120.400 0.188 0.000 2.144 450 D HA -0.101 4.539 4.640 0.002 0.000 0.199 450 D C 2.163 178.596 176.300 0.221 0.000 0.984 450 D CA 1.521 55.628 54.000 0.179 0.000 0.834 450 D CB -0.521 40.340 40.800 0.102 0.000 0.955 450 D HN 0.479 nan 8.370 nan 0.000 0.465 451 G N 0.452 109.355 108.800 0.171 0.000 2.402 451 G HA2 -0.175 3.786 3.960 0.002 0.000 0.216 451 G HA3 -0.175 3.786 3.960 0.002 0.000 0.216 451 G C 1.855 176.819 174.900 0.107 0.000 1.162 451 G CA 0.533 45.708 45.100 0.126 0.000 0.777 451 G HN 0.227 nan 8.290 nan 0.000 0.539 452 V N 0.452 120.436 119.914 0.115 0.000 2.343 452 V HA -0.121 4.000 4.120 0.002 0.000 0.247 452 V C 2.295 178.437 176.094 0.079 0.000 1.051 452 V CA 1.808 64.132 62.300 0.040 0.000 1.036 452 V CB -0.616 31.177 31.823 -0.050 0.000 0.654 452 V HN 0.409 nan 8.190 nan 0.000 0.451 453 F N 1.964 121.947 119.950 0.054 0.000 2.069 453 F HA -0.244 4.284 4.527 0.002 0.000 0.298 453 F C 2.364 178.186 175.800 0.038 0.000 1.113 453 F CA 2.208 60.238 58.000 0.051 0.000 1.214 453 F CB -0.395 38.645 39.000 0.068 0.000 0.978 453 F HN 0.189 nan 8.300 nan 0.000 0.474 454 N N 0.773 119.528 118.700 0.092 0.000 2.272 454 N HA -0.181 4.560 4.740 0.002 0.000 0.185 454 N C 1.869 177.306 175.510 -0.121 0.000 1.014 454 N CA 1.649 54.698 53.050 -0.002 0.000 0.870 454 N CB -0.467 38.099 38.487 0.131 0.000 0.975 454 N HN 0.402 nan 8.380 nan 0.000 0.433 455 L N -0.234 120.929 121.223 -0.099 0.000 2.202 455 L HA -0.007 4.334 4.340 0.002 0.000 0.205 455 L C 2.196 178.984 176.870 -0.137 0.000 1.083 455 L CA 1.269 56.053 54.840 -0.094 0.000 0.790 455 L CB -0.304 41.719 42.059 -0.060 0.000 0.942 455 L HN 0.264 nan 8.230 nan 0.000 0.452 456 T N -5.403 109.041 114.554 -0.183 0.000 3.015 456 T HA 0.112 4.463 4.350 0.002 0.000 0.250 456 T C 0.880 175.422 174.700 -0.263 0.000 1.057 456 T CA 0.492 62.488 62.100 -0.174 0.000 1.066 456 T CB -0.058 68.736 68.868 -0.122 0.000 0.959 456 T HN 0.311 nan 8.240 nan 0.000 0.488 457 N N 0.278 118.667 118.700 -0.520 0.000 2.863 457 N HA -0.123 4.617 4.740 0.002 0.000 0.245 457 N C -0.794 174.536 175.510 -0.300 0.000 1.001 457 N CA 0.611 53.288 53.050 -0.621 0.000 0.901 457 N CB -1.749 36.560 38.487 -0.297 0.000 1.124 457 N HN 0.547 nan 8.380 nan 0.000 0.582 458 I N 1.161 121.600 120.570 -0.218 0.000 2.496 458 I HA 0.011 4.182 4.170 0.002 0.000 0.285 458 I C 0.937 177.177 176.117 0.205 0.000 1.080 458 I CA -0.042 61.172 61.300 -0.143 0.000 1.404 458 I CB 0.385 38.131 38.000 -0.424 0.000 1.403 458 I HN 0.119 nan 8.210 nan 0.000 0.539 459 D N 5.880 126.488 120.400 0.346 0.000 2.533 459 D HA -0.058 4.583 4.640 0.002 0.000 0.236 459 D C 1.149 177.701 176.300 0.419 0.000 1.137 459 D CA 0.319 54.591 54.000 0.453 0.000 0.867 459 D CB 0.798 41.836 40.800 0.397 0.000 1.170 459 D HN 0.482 nan 8.370 nan 0.000 0.474 460 R N 2.833 123.511 120.500 0.298 0.000 2.159 460 R HA -0.198 4.143 4.340 0.002 0.000 0.237 460 R C 1.929 178.328 176.300 0.164 0.000 1.131 460 R CA 1.145 57.366 56.100 0.201 0.000 0.982 460 R CB -0.145 30.182 30.300 0.045 0.000 0.868 460 R HN 0.652 nan 8.270 nan 0.000 0.453 461 W N 0.806 122.080 121.300 -0.043 0.000 2.325 461 W HA -0.213 4.448 4.660 0.002 0.000 0.299 461 W C 1.247 177.689 176.519 -0.128 0.000 1.215 461 W CA 1.526 58.775 57.345 -0.161 0.000 1.244 461 W CB -0.193 29.062 29.460 -0.342 0.000 1.140 461 W HN -0.036 nan 8.180 nan 0.000 0.523 462 F N -0.358 119.754 119.950 0.269 0.000 2.179 462 F HA -0.046 4.482 4.527 0.002 0.000 0.292 462 F C 2.263 178.136 175.800 0.123 0.000 1.089 462 F CA 1.256 59.376 58.000 0.200 0.000 1.295 462 F CB -1.245 37.973 39.000 0.362 0.000 1.041 462 F HN -0.258 nan 8.300 nan 0.000 0.487 463 L N 0.238 121.679 121.223 0.364 0.000 2.042 463 L HA -0.209 4.132 4.340 0.002 0.000 0.210 463 L C 2.572 179.540 176.870 0.165 0.000 1.076 463 L CA 1.480 56.526 54.840 0.344 0.000 0.749 463 L CB -1.164 41.132 42.059 0.395 0.000 0.893 463 L HN 0.179 nan 8.230 nan 0.000 0.432 464 V N -2.907 117.006 119.914 -0.002 0.000 2.594 464 V HA -0.264 3.857 4.120 0.002 0.000 0.253 464 V C 2.157 178.132 176.094 -0.198 0.000 1.069 464 V CA 1.453 63.658 62.300 -0.159 0.000 1.082 464 V CB -0.767 30.956 31.823 -0.166 0.000 0.680 464 V HN 0.507 nan 8.190 nan 0.000 0.469 465 Q N 0.241 119.946 119.800 -0.159 0.000 2.079 465 Q HA 0.011 4.352 4.340 0.002 0.000 0.200 465 Q C 2.321 178.259 176.000 -0.103 0.000 0.974 465 Q CA 2.103 57.813 55.803 -0.156 0.000 0.840 465 Q CB -0.240 28.384 28.738 -0.190 0.000 0.898 465 Q HN 0.690 nan 8.270 nan 0.000 0.430 466 I N 0.581 121.127 120.570 -0.039 0.000 2.202 466 I HA -0.248 3.923 4.170 0.002 0.000 0.242 466 I C 2.451 178.455 176.117 -0.189 0.000 1.091 466 I CA 1.131 62.356 61.300 -0.125 0.000 1.368 466 I CB -0.354 37.665 38.000 0.031 0.000 1.058 466 I HN 0.276 nan 8.210 nan 0.000 0.410 467 E N 1.460 121.430 120.200 -0.383 0.000 2.070 467 E HA -0.327 4.023 4.350 0.002 0.000 0.197 467 E C 2.133 178.534 176.600 -0.331 0.000 1.004 467 E CA 1.830 57.779 56.400 -0.751 0.000 0.805 467 E CB -0.083 28.873 29.700 -1.240 0.000 0.744 467 E HN 0.474 nan 8.360 nan 0.000 0.451 468 E N 0.206 120.263 120.200 -0.237 0.000 2.118 468 E HA -0.212 4.139 4.350 0.002 0.000 0.195 468 E C 2.212 178.802 176.600 -0.016 0.000 0.992 468 E CA 1.121 57.451 56.400 -0.116 0.000 0.804 468 E CB -0.098 29.544 29.700 -0.097 0.000 0.741 468 E HN 0.372 nan 8.360 nan 0.000 0.458 469 L N 0.218 121.432 121.223 -0.014 0.000 2.141 469 L HA -0.140 4.201 4.340 0.002 0.000 0.209 469 L C 2.494 179.480 176.870 0.194 0.000 1.094 469 L CA 0.490 55.420 54.840 0.150 0.000 0.763 469 L CB -0.206 41.845 42.059 -0.013 0.000 0.908 469 L HN 0.114 nan 8.230 nan 0.000 0.437 470 V N -0.287 119.644 119.914 0.028 0.000 2.358 470 V HA -0.208 3.913 4.120 0.002 0.000 0.246 470 V C 2.664 178.791 176.094 0.055 0.000 1.047 470 V CA 1.449 63.783 62.300 0.056 0.000 1.035 470 V CB -0.563 31.292 31.823 0.053 0.000 0.658 470 V HN 0.425 nan 8.190 nan 0.000 0.452 471 R N -0.157 120.350 120.500 0.012 0.000 2.096 471 R HA -0.084 4.257 4.340 0.002 0.000 0.235 471 R C 2.193 178.514 176.300 0.036 0.000 1.127 471 R CA 1.279 57.383 56.100 0.006 0.000 0.968 471 R CB -0.828 29.453 30.300 -0.032 0.000 0.861 471 R HN 0.431 nan 8.270 nan 0.000 0.440 472 L N 0.811 122.082 121.223 0.079 0.000 2.093 472 L HA -0.120 4.221 4.340 0.002 0.000 0.208 472 L C 2.414 179.287 176.870 0.006 0.000 1.085 472 L CA 1.220 56.118 54.840 0.096 0.000 0.755 472 L CB -0.317 41.849 42.059 0.178 0.000 0.904 472 L HN 0.201 nan 8.230 nan 0.000 0.435 473 E N 0.050 120.242 120.200 -0.014 0.000 2.110 473 E HA -0.236 4.115 4.350 0.002 0.000 0.193 473 E C 1.971 178.567 176.600 -0.007 0.000 0.988 473 E CA 1.178 57.537 56.400 -0.070 0.000 0.804 473 E CB -0.038 29.697 29.700 0.058 0.000 0.745 473 E HN 0.577 nan 8.360 nan 0.000 0.458 474 E N 0.867 121.081 120.200 0.023 0.000 2.153 474 E HA -0.204 4.147 4.350 0.002 0.000 0.194 474 E C 2.061 178.672 176.600 0.017 0.000 0.988 474 E CA 0.879 57.293 56.400 0.023 0.000 0.811 474 E CB -0.067 29.648 29.700 0.023 0.000 0.746 474 E HN 0.102 nan 8.360 nan 0.000 0.466 475 K N 1.096 121.511 120.400 0.025 0.000 2.103 475 K HA -0.091 4.230 4.320 0.002 0.000 0.204 475 K C 2.057 178.702 176.600 0.076 0.000 1.052 475 K CA 0.743 57.040 56.287 0.016 0.000 0.945 475 K CB 0.163 32.655 32.500 -0.014 0.000 0.722 475 K HN -0.067 nan 8.250 nan 0.000 0.443 476 V N 1.496 121.478 119.914 0.113 0.000 2.343 476 V HA -0.227 3.894 4.120 0.002 0.000 0.247 476 V C 2.465 178.585 176.094 0.043 0.000 1.051 476 V CA 2.008 64.368 62.300 0.100 0.000 1.036 476 V CB -0.676 31.110 31.823 -0.063 0.000 0.654 476 V HN 0.511 nan 8.190 nan 0.000 0.451 477 A N -0.759 122.073 122.820 0.019 0.000 1.969 477 A HA -0.242 4.079 4.320 0.002 0.000 0.218 477 A C 2.270 179.865 177.584 0.017 0.000 1.169 477 A CA 1.901 53.947 52.037 0.015 0.000 0.635 477 A CB -0.409 18.600 19.000 0.015 0.000 0.810 477 A HN 0.616 nan 8.150 nan 0.000 0.445 478 E N -0.188 120.022 120.200 0.017 0.000 2.072 478 E HA -0.110 4.241 4.350 0.002 0.000 0.190 478 E C 1.978 178.583 176.600 0.009 0.000 0.982 478 E CA 1.443 57.847 56.400 0.007 0.000 0.803 478 E CB -0.066 29.631 29.700 -0.005 0.000 0.755 478 E HN 0.534 nan 8.360 nan 0.000 0.453 479 V N -1.986 117.940 119.914 0.021 0.000 2.871 479 V HA 0.224 4.345 4.120 0.002 0.000 0.256 479 V C 1.087 177.205 176.094 0.040 0.000 1.082 479 V CA 0.803 63.119 62.300 0.027 0.000 1.105 479 V CB -0.844 30.998 31.823 0.031 0.000 0.713 479 V HN 0.360 nan 8.190 nan 0.000 0.473 480 G N 0.279 109.105 108.800 0.043 0.000 2.804 480 G HA2 -0.332 3.629 3.960 0.002 0.000 0.230 480 G HA3 -0.332 3.629 3.960 0.002 0.000 0.230 480 G C 0.363 175.289 174.900 0.044 0.000 1.386 480 G CA 0.195 45.315 45.100 0.033 0.000 0.875 480 G HN 0.946 nan 8.290 nan 0.000 0.557 481 I N 0.027 120.614 120.570 0.027 0.000 2.530 481 I HA -0.138 4.033 4.170 0.002 0.000 0.257 481 I C 2.633 178.781 176.117 0.050 0.000 1.179 481 I CA 2.605 63.922 61.300 0.028 0.000 1.440 481 I CB -0.136 37.869 38.000 0.009 0.000 1.087 481 I HN 0.657 nan 8.210 nan 0.000 0.440 482 T N 0.210 114.792 114.554 0.047 0.000 2.788 482 T HA -0.093 4.258 4.350 0.002 0.000 0.268 482 T C 1.555 176.300 174.700 0.074 0.000 1.044 482 T CA 1.379 63.510 62.100 0.052 0.000 1.139 482 T CB -0.552 68.336 68.868 0.034 0.000 0.867 482 T HN 0.615 nan 8.240 nan 0.000 0.454 483 G N 0.593 109.445 108.800 0.087 0.000 2.920 483 G HA2 0.163 4.124 3.960 0.002 0.000 0.208 483 G HA3 0.163 4.124 3.960 0.002 0.000 0.208 483 G C 0.650 175.689 174.900 0.232 0.000 1.159 483 G CA -0.193 44.976 45.100 0.115 0.000 0.784 483 G HN 0.445 nan 8.290 nan 0.000 0.535 484 L N 2.476 123.818 121.223 0.197 0.000 2.672 484 L HA 0.164 4.505 4.340 0.002 0.000 0.238 484 L C 0.471 177.483 176.870 0.237 0.000 1.392 484 L CA -0.724 54.233 54.840 0.196 0.000 1.238 484 L CB -1.019 41.088 42.059 0.081 0.000 1.548 484 L HN 0.298 nan 8.230 nan 0.000 0.423 485 N N -0.437 118.375 118.700 0.187 0.000 2.354 485 N HA 0.203 4.944 4.740 0.002 0.000 0.246 485 N C 1.258 176.655 175.510 -0.190 0.000 1.285 485 N CA 0.189 53.251 53.050 0.021 0.000 0.925 485 N CB 0.799 39.281 38.487 -0.008 0.000 1.174 485 N HN 0.131 nan 8.380 nan 0.000 0.478 486 A N -0.027 122.384 122.820 -0.681 0.000 1.908 486 A HA -0.239 4.082 4.320 0.002 0.000 0.218 486 A C 1.571 179.008 177.584 -0.245 0.000 1.181 486 A CA 1.824 53.416 52.037 -0.741 0.000 0.627 486 A CB -0.869 17.645 19.000 -0.810 0.000 0.818 486 A HN 0.798 nan 8.150 nan 0.000 0.445 487 D N -1.209 119.110 120.400 -0.135 0.000 2.084 487 D HA -0.124 4.517 4.640 0.002 0.000 0.194 487 D C 1.637 177.986 176.300 0.081 0.000 0.990 487 D CA 1.235 55.224 54.000 -0.019 0.000 0.826 487 D CB -0.457 40.342 40.800 -0.002 0.000 0.971 487 D HN 0.392 nan 8.370 nan 0.000 0.453 488 F N 1.171 121.071 119.950 -0.083 0.000 2.102 488 F HA -0.113 4.415 4.527 0.002 0.000 0.298 488 F C 2.072 177.841 175.800 -0.051 0.000 1.105 488 F CA 0.571 58.536 58.000 -0.059 0.000 1.239 488 F CB -0.710 38.257 39.000 -0.054 0.000 0.991 488 F HN -0.095 nan 8.300 nan 0.000 0.474 489 L N 0.905 122.017 121.223 -0.185 0.000 2.042 489 L HA -0.176 4.165 4.340 0.002 0.000 0.210 489 L C 2.646 179.390 176.870 -0.210 0.000 1.076 489 L CA 1.969 56.661 54.840 -0.246 0.000 0.749 489 L CB -1.012 41.040 42.059 -0.012 0.000 0.893 489 L HN 0.196 nan 8.230 nan 0.000 0.432 490 R N -0.973 119.454 120.500 -0.121 0.000 2.073 490 R HA -0.224 4.117 4.340 0.002 0.000 0.234 490 R C 2.391 178.627 176.300 -0.107 0.000 1.134 490 R CA 1.835 57.870 56.100 -0.109 0.000 0.952 490 R CB -0.406 29.876 30.300 -0.030 0.000 0.850 490 R HN 0.598 nan 8.270 nan 0.000 0.433 491 Q N 0.485 120.260 119.800 -0.042 0.000 2.112 491 Q HA -0.208 4.133 4.340 0.002 0.000 0.206 491 Q C 2.099 178.091 176.000 -0.013 0.000 0.987 491 Q CA 1.945 57.759 55.803 0.020 0.000 0.858 491 Q CB -0.124 28.697 28.738 0.140 0.000 0.905 491 Q HN 0.484 nan 8.270 nan 0.000 0.420 492 L N 0.369 121.508 121.223 -0.141 0.000 2.056 492 L HA -0.201 4.140 4.340 0.002 0.000 0.207 492 L C 2.623 179.499 176.870 0.012 0.000 1.078 492 L CA 0.993 55.798 54.840 -0.059 0.000 0.749 492 L CB -0.456 41.370 42.059 -0.388 0.000 0.901 492 L HN 0.105 nan 8.230 nan 0.000 0.433 493 K N 0.544 120.804 120.400 -0.232 0.000 2.057 493 K HA -0.153 4.168 4.320 0.002 0.000 0.207 493 K C 2.124 178.537 176.600 -0.311 0.000 1.049 493 K CA 1.376 57.373 56.287 -0.484 0.000 0.931 493 K CB -0.443 31.351 32.500 -1.177 0.000 0.714 493 K HN 0.291 nan 8.250 nan 0.000 0.440 494 R N 0.983 121.391 120.500 -0.153 0.000 2.200 494 R HA -0.055 4.286 4.340 0.002 0.000 0.234 494 R C 1.741 178.072 176.300 0.051 0.000 1.127 494 R CA 0.958 57.083 56.100 0.041 0.000 0.989 494 R CB 0.013 30.355 30.300 0.071 0.000 0.869 494 R HN 0.095 nan 8.270 nan 0.000 0.459 495 K N -0.582 119.837 120.400 0.031 0.000 2.444 495 K HA 0.109 4.430 4.320 0.002 0.000 0.193 495 K C 0.854 177.375 176.600 -0.132 0.000 1.024 495 K CA 0.764 57.046 56.287 -0.010 0.000 1.077 495 K CB 1.085 33.612 32.500 0.044 0.000 0.833 495 K HN 0.396 nan 8.250 nan 0.000 0.517 496 G N 1.625 110.385 108.800 -0.067 0.000 2.157 496 G HA2 -0.257 3.704 3.960 0.002 0.000 0.248 496 G HA3 -0.257 3.704 3.960 0.002 0.000 0.248 496 G C -0.016 174.813 174.900 -0.117 0.000 0.979 496 G CA -0.432 44.624 45.100 -0.073 0.000 0.650 496 G HN 0.199 nan 8.290 nan 0.000 0.529 497 F N 1.818 121.757 119.950 -0.017 0.000 2.608 497 F HA 0.468 4.996 4.527 0.002 0.000 0.380 497 F C 1.236 177.020 175.800 -0.026 0.000 1.083 497 F CA 0.521 58.511 58.000 -0.017 0.000 1.266 497 F CB 0.628 39.591 39.000 -0.061 0.000 1.076 497 F HN 0.385 nan 8.300 nan 0.000 0.574 498 A N 3.241 126.177 122.820 0.194 0.000 2.351 498 A HA 0.200 4.521 4.320 0.002 0.000 0.257 498 A C 1.162 178.807 177.584 0.102 0.000 1.087 498 A CA -0.661 51.449 52.037 0.122 0.000 0.798 498 A CB 0.288 19.349 19.000 0.101 0.000 1.033 498 A HN 0.763 nan 8.150 nan 0.000 0.488 499 D N 1.424 121.863 120.400 0.064 0.000 2.123 499 D HA -0.147 4.494 4.640 0.002 0.000 0.196 499 D C 2.185 178.505 176.300 0.033 0.000 0.992 499 D CA 1.996 56.016 54.000 0.032 0.000 0.833 499 D CB -0.364 40.453 40.800 0.028 0.000 0.954 499 D HN 0.645 nan 8.370 nan 0.000 0.455 500 A N 0.742 123.591 122.820 0.048 0.000 1.908 500 A HA -0.224 4.097 4.320 0.002 0.000 0.218 500 A C 2.209 179.826 177.584 0.056 0.000 1.181 500 A CA 1.992 54.056 52.037 0.045 0.000 0.627 500 A CB -0.436 18.592 19.000 0.047 0.000 0.818 500 A HN 0.111 nan 8.150 nan 0.000 0.445 501 R N -0.065 120.490 120.500 0.091 0.000 2.062 501 R HA 0.051 4.392 4.340 0.002 0.000 0.229 501 R C 1.947 178.289 176.300 0.070 0.000 1.128 501 R CA 1.445 57.620 56.100 0.124 0.000 0.960 501 R CB -0.665 29.776 30.300 0.236 0.000 0.855 501 R HN 0.505 nan 8.270 nan 0.000 0.432 502 L N -0.027 121.216 121.223 0.033 0.000 2.046 502 L HA -0.121 4.220 4.340 0.002 0.000 0.208 502 L C 2.533 179.381 176.870 -0.036 0.000 1.077 502 L CA 1.407 56.212 54.840 -0.058 0.000 0.747 502 L CB -0.799 41.206 42.059 -0.091 0.000 0.896 502 L HN 0.345 nan 8.230 nan 0.000 0.432 503 A N 0.239 123.052 122.820 -0.011 0.000 1.883 503 A HA -0.240 4.081 4.320 0.002 0.000 0.217 503 A C 2.359 179.943 177.584 -0.000 0.000 1.186 503 A CA 1.822 53.854 52.037 -0.008 0.000 0.624 503 A CB -0.429 18.571 19.000 -0.001 0.000 0.822 503 A HN 0.301 nan 8.150 nan 0.000 0.444 504 K N -0.672 119.735 120.400 0.012 0.000 2.103 504 K HA -0.091 4.230 4.320 0.002 0.000 0.207 504 K C 1.870 178.478 176.600 0.013 0.000 1.048 504 K CA 1.467 57.765 56.287 0.017 0.000 0.930 504 K CB -0.373 32.147 32.500 0.033 0.000 0.716 504 K HN 0.494 nan 8.250 nan 0.000 0.444 505 L N -0.082 121.145 121.223 0.006 0.000 2.109 505 L HA -0.107 4.234 4.340 0.002 0.000 0.207 505 L C 2.238 179.106 176.870 -0.004 0.000 1.086 505 L CA 0.980 55.819 54.840 -0.001 0.000 0.760 505 L CB -0.270 41.773 42.059 -0.027 0.000 0.910 505 L HN 0.132 nan 8.230 nan 0.000 0.437 506 A N -0.385 122.428 122.820 -0.011 0.000 2.251 506 A HA 0.284 4.605 4.320 0.002 0.000 0.209 506 A C 1.600 179.184 177.584 -0.001 0.000 1.187 506 A CA 0.561 52.595 52.037 -0.006 0.000 0.823 506 A CB -0.586 18.407 19.000 -0.013 0.000 0.846 506 A HN 0.466 nan 8.150 nan 0.000 0.486 507 G N -0.402 108.398 108.800 0.001 0.000 2.323 507 G HA2 -0.081 3.880 3.960 0.002 0.000 0.292 507 G HA3 -0.081 3.880 3.960 0.002 0.000 0.292 507 G C 0.250 175.150 174.900 -0.000 0.000 1.040 507 G CA 0.833 45.934 45.100 0.002 0.000 0.942 507 G HN 1.710 nan 8.290 nan 0.000 0.506 508 V N -4.464 115.449 119.914 -0.003 0.000 3.145 508 V HA 0.910 5.031 4.120 0.002 0.000 0.311 508 V C 0.456 176.547 176.094 -0.005 0.000 1.238 508 V CA -1.980 60.316 62.300 -0.006 0.000 1.066 508 V CB 1.352 33.168 31.823 -0.011 0.000 1.144 508 V HN 0.313 nan 8.190 nan 0.000 0.465 509 R N 0.070 120.566 120.500 -0.007 0.000 2.457 509 R HA 0.358 4.699 4.340 0.002 0.000 0.284 509 R C 1.274 177.570 176.300 -0.007 0.000 1.024 509 R CA 0.083 56.180 56.100 -0.005 0.000 1.025 509 R CB 1.136 31.432 30.300 -0.006 0.000 1.063 509 R HN 0.973 nan 8.270 nan 0.000 0.493 510 E N 2.217 122.416 120.200 -0.001 0.000 2.130 510 E HA -0.268 4.083 4.350 0.002 0.000 0.196 510 E C 1.340 177.938 176.600 -0.003 0.000 0.998 510 E CA 1.715 58.116 56.400 0.001 0.000 0.806 510 E CB 0.046 29.752 29.700 0.009 0.000 0.738 510 E HN 0.728 nan 8.360 nan 0.000 0.459 511 A N 0.754 123.572 122.820 -0.004 0.000 2.015 511 A HA -0.184 4.137 4.320 0.002 0.000 0.219 511 A C 1.897 179.470 177.584 -0.018 0.000 1.163 511 A CA 1.374 53.407 52.037 -0.006 0.000 0.646 511 A CB -0.373 18.624 19.000 -0.005 0.000 0.806 511 A HN 0.351 nan 8.150 nan 0.000 0.448 512 E N -0.389 119.798 120.200 -0.022 0.000 2.106 512 E HA -0.133 4.218 4.350 0.002 0.000 0.192 512 E C 1.716 178.283 176.600 -0.055 0.000 0.984 512 E CA 0.931 57.310 56.400 -0.036 0.000 0.806 512 E CB -0.128 29.555 29.700 -0.029 0.000 0.750 512 E HN 0.533 nan 8.360 nan 0.000 0.458 513 I N 0.780 121.322 120.570 -0.046 0.000 2.315 513 I HA -0.204 3.967 4.170 0.002 0.000 0.248 513 I C 2.464 178.541 176.117 -0.067 0.000 1.117 513 I CA 1.139 62.403 61.300 -0.061 0.000 1.404 513 I CB -0.933 37.041 38.000 -0.043 0.000 1.071 513 I HN 0.077 nan 8.210 nan 0.000 0.419 514 R N 1.476 121.954 120.500 -0.037 0.000 2.070 514 R HA -0.186 4.155 4.340 0.002 0.000 0.233 514 R C 2.318 178.590 176.300 -0.046 0.000 1.137 514 R CA 1.620 57.708 56.100 -0.021 0.000 0.945 514 R CB -0.065 30.241 30.300 0.010 0.000 0.845 514 R HN 0.184 nan 8.270 nan 0.000 0.430 515 K N 0.149 120.517 120.400 -0.053 0.000 2.044 515 K HA -0.201 4.120 4.320 0.002 0.000 0.210 515 K C 2.072 178.582 176.600 -0.150 0.000 1.049 515 K CA 1.681 57.926 56.287 -0.071 0.000 0.927 515 K CB -0.306 32.155 32.500 -0.065 0.000 0.713 515 K HN 0.111 nan 8.250 nan 0.000 0.443 516 L N 1.431 122.531 121.223 -0.205 0.000 2.042 516 L HA -0.205 4.136 4.340 0.002 0.000 0.210 516 L C 2.169 178.744 176.870 -0.492 0.000 1.076 516 L CA 1.644 56.241 54.840 -0.406 0.000 0.749 516 L CB -0.176 41.678 42.059 -0.341 0.000 0.893 516 L HN 0.081 nan 8.230 nan 0.000 0.432 517 R N -0.740 119.608 120.500 -0.254 0.000 2.096 517 R HA -0.146 4.195 4.340 0.002 0.000 0.235 517 R C 1.980 178.141 176.300 -0.232 0.000 1.127 517 R CA 1.473 57.455 56.100 -0.196 0.000 0.968 517 R CB -0.515 29.692 30.300 -0.155 0.000 0.861 517 R HN 0.508 nan 8.270 nan 0.000 0.440 518 D N 0.455 120.763 120.400 -0.153 0.000 2.117 518 D HA -0.194 4.447 4.640 0.002 0.000 0.197 518 D C 1.887 178.189 176.300 0.003 0.000 0.987 518 D CA 1.125 55.127 54.000 0.003 0.000 0.829 518 D CB 0.031 40.873 40.800 0.070 0.000 0.961 518 D HN 0.305 nan 8.370 nan 0.000 0.460 519 Q N -0.391 119.346 119.800 -0.105 0.000 2.030 519 Q HA -0.189 4.152 4.340 0.002 0.000 0.204 519 Q C 1.814 177.849 176.000 0.057 0.000 0.986 519 Q CA 1.245 56.995 55.803 -0.089 0.000 0.843 519 Q CB -0.005 28.566 28.738 -0.278 0.000 0.904 519 Q HN 0.347 nan 8.270 nan 0.000 0.420 520 Y N 0.363 120.656 120.300 -0.012 0.000 2.571 520 Y HA -0.023 4.528 4.550 0.002 0.000 0.294 520 Y C 0.374 176.274 175.900 -0.001 0.000 1.141 520 Y CA 0.873 58.967 58.100 -0.010 0.000 1.308 520 Y CB -0.252 38.190 38.460 -0.030 0.000 1.002 520 Y HN 0.275 nan 8.280 nan 0.000 0.551 521 D N -0.512 119.972 120.400 0.139 0.000 2.739 521 D HA -0.191 4.450 4.640 0.002 0.000 0.240 521 D C -0.962 175.381 176.300 0.071 0.000 1.114 521 D CA 0.213 54.296 54.000 0.138 0.000 0.695 521 D CB -1.326 39.574 40.800 0.167 0.000 1.078 521 D HN 0.164 nan 8.370 nan 0.000 0.434 522 L N 2.649 123.798 121.223 -0.123 0.000 2.335 522 L HA 0.463 4.804 4.340 0.002 0.000 0.268 522 L C -0.904 175.855 176.870 -0.185 0.000 1.037 522 L CA -0.380 54.446 54.840 -0.024 0.000 0.895 522 L CB 0.662 42.772 42.059 0.084 0.000 1.266 522 L HN 0.145 nan 8.230 nan 0.000 0.439 523 H N 3.736 122.933 119.070 0.212 0.000 2.731 523 H HA 0.639 5.196 4.556 0.002 0.000 0.368 523 H C -2.510 172.658 175.328 -0.266 0.000 1.168 523 H CA -1.788 54.307 56.048 0.079 0.000 1.181 523 H CB 1.832 31.609 29.762 0.025 0.000 1.743 523 H HN 0.353 nan 8.280 nan 0.000 0.547 524 P HA 0.149 nan 4.420 nan 0.000 0.278 524 P C -0.331 176.609 177.300 -0.600 0.000 1.266 524 P CA -0.565 61.895 63.100 -1.066 0.000 0.807 524 P CB 1.113 32.164 31.700 -1.081 0.000 1.094 525 V N -2.056 117.515 119.914 -0.571 0.000 2.975 525 V HA 0.571 4.692 4.120 0.002 0.000 0.318 525 V C -1.005 174.741 176.094 -0.579 0.000 1.077 525 V CA -0.909 61.169 62.300 -0.369 0.000 1.000 525 V CB 1.006 32.727 31.823 -0.170 0.000 1.066 525 V HN 0.320 nan 8.190 nan 0.000 0.452 526 Y N 1.048 121.274 120.300 -0.124 0.000 2.352 526 Y HA 0.696 5.247 4.550 0.002 0.000 0.339 526 Y C 0.379 176.106 175.900 -0.288 0.000 0.992 526 Y CA -0.752 57.241 58.100 -0.178 0.000 1.100 526 Y CB 1.836 40.286 38.460 -0.018 0.000 1.192 526 Y HN 0.513 nan 8.280 nan 0.000 0.458 527 K N 3.068 123.180 120.400 -0.480 0.000 2.185 527 K HA 0.586 4.907 4.320 0.002 0.000 0.240 527 K C -0.435 175.911 176.600 -0.422 0.000 0.983 527 K CA -0.939 55.056 56.287 -0.487 0.000 0.873 527 K CB 1.891 34.055 32.500 -0.560 0.000 1.118 527 K HN 0.695 nan 8.250 nan 0.000 0.441 528 R N 0.255 120.669 120.500 -0.144 0.000 2.732 528 R HA 0.435 4.776 4.340 0.002 0.000 0.278 528 R C -0.421 175.919 176.300 0.067 0.000 0.976 528 R CA -0.998 55.076 56.100 -0.043 0.000 0.963 528 R CB 1.654 31.948 30.300 -0.010 0.000 1.150 528 R HN 0.213 nan 8.270 nan 0.000 0.478 529 V N 2.402 122.291 119.914 -0.042 0.000 2.583 529 V HA 0.027 4.148 4.120 0.002 0.000 0.287 529 V C 0.245 176.374 176.094 0.059 0.000 1.051 529 V CA 0.532 62.797 62.300 -0.058 0.000 1.010 529 V CB 1.269 32.712 31.823 -0.634 0.000 0.988 529 V HN 0.987 nan 8.190 nan 0.000 0.478 530 D N 0.229 120.712 120.400 0.138 0.000 2.480 530 D HA 0.034 4.675 4.640 0.002 0.000 0.276 530 D C 0.851 177.255 176.300 0.174 0.000 1.294 530 D CA 0.763 54.835 54.000 0.121 0.000 0.829 530 D CB -0.011 40.854 40.800 0.108 0.000 1.242 530 D HN 0.778 nan 8.370 nan 0.000 0.513 531 T N -2.111 112.578 114.554 0.225 0.000 7.679 531 T HA -0.359 3.992 4.350 0.002 0.000 0.300 531 T C 1.097 175.997 174.700 0.333 0.000 2.098 531 T CA 1.395 63.689 62.100 0.323 0.000 3.313 531 T CB -2.960 66.214 68.868 0.510 0.000 1.898 531 T HN 0.978 nan 8.240 nan 0.000 1.144 532 C N 0.464 119.899 119.300 0.225 0.000 3.226 532 C HA 0.881 5.342 4.460 0.002 0.000 0.258 532 C C 1.646 176.670 174.990 0.056 0.000 1.688 532 C CA -0.281 58.855 59.018 0.196 0.000 1.774 532 C CB -0.495 27.420 27.740 0.291 0.000 3.167 532 C HN 2.224 nan 8.230 nan 0.000 0.509 533 A N 0.264 123.103 122.820 0.032 0.000 2.745 533 A HA 0.246 4.567 4.320 0.002 0.000 0.296 533 A C 1.614 179.180 177.584 -0.029 0.000 1.500 533 A CA 1.556 53.583 52.037 -0.016 0.000 0.766 533 A CB -1.881 17.090 19.000 -0.048 0.000 1.030 533 A HN 2.825 nan 8.150 nan 0.000 0.489 534 A N -2.161 120.656 122.820 -0.004 0.000 3.153 534 A HA -0.342 3.979 4.320 0.002 0.000 0.265 534 A C 1.224 178.720 177.584 -0.147 0.000 1.212 534 A CA 2.360 54.376 52.037 -0.035 0.000 1.018 534 A CB -2.273 16.717 19.000 -0.016 0.000 1.130 534 A HN 1.835 nan 8.150 nan 0.000 0.873 535 E N -1.577 118.457 120.200 -0.275 0.000 2.153 535 E HA 0.033 4.384 4.350 0.002 0.000 0.194 535 E C 0.189 176.224 176.600 -0.942 0.000 0.988 535 E CA 1.094 57.109 56.400 -0.642 0.000 0.811 535 E CB 0.001 29.159 29.700 -0.903 0.000 0.746 535 E HN 0.771 nan 8.360 nan 0.000 0.466 536 F N -0.720 119.211 119.950 -0.032 0.000 2.577 536 F HA 0.555 5.083 4.527 0.002 0.000 0.318 536 F C 0.245 176.025 175.800 -0.033 0.000 1.065 536 F CA -1.169 56.804 58.000 -0.044 0.000 0.929 536 F CB 1.405 40.357 39.000 -0.080 0.000 1.237 536 F HN -0.170 nan 8.300 nan 0.000 0.468 537 A N 0.821 123.742 122.820 0.169 0.000 2.296 537 A HA 0.651 4.972 4.320 0.002 0.000 0.264 537 A C -0.124 177.500 177.584 0.068 0.000 1.097 537 A CA -0.098 51.989 52.037 0.083 0.000 0.811 537 A CB 0.757 19.790 19.000 0.055 0.000 1.072 537 A HN 0.735 nan 8.150 nan 0.000 0.495 538 T N -1.464 113.110 114.554 0.034 0.000 2.903 538 T HA 0.470 4.821 4.350 0.002 0.000 0.299 538 T C -0.682 174.018 174.700 0.000 0.000 1.093 538 T CA -0.561 61.546 62.100 0.012 0.000 1.002 538 T CB 1.325 70.200 68.868 0.011 0.000 1.127 538 T HN 0.521 nan 8.240 nan 0.000 0.488 539 D N 1.599 121.991 120.400 -0.013 0.000 2.433 539 D HA 0.171 4.812 4.640 0.002 0.000 0.211 539 D C 0.202 176.494 176.300 -0.013 0.000 1.114 539 D CA 0.210 54.204 54.000 -0.010 0.000 0.837 539 D CB 0.762 41.556 40.800 -0.010 0.000 0.984 539 D HN 0.472 nan 8.370 nan 0.000 0.505 540 T N 0.750 115.289 114.554 -0.026 0.000 2.910 540 T HA 0.474 4.825 4.350 0.002 0.000 0.293 540 T C 0.331 175.035 174.700 0.006 0.000 1.015 540 T CA -0.378 61.707 62.100 -0.025 0.000 1.094 540 T CB 1.974 70.776 68.868 -0.110 0.000 0.968 540 T HN -0.050 nan 8.240 nan 0.000 0.521 541 A N 3.164 125.997 122.820 0.021 0.000 3.047 541 A HA 0.397 4.718 4.320 0.002 0.000 0.337 541 A C -0.810 176.793 177.584 0.032 0.000 1.143 541 A CA -0.542 51.491 52.037 -0.007 0.000 0.905 541 A CB -0.197 18.768 19.000 -0.058 0.000 1.088 541 A HN 0.724 nan 8.150 nan 0.000 0.488 542 Y N 2.870 123.138 120.300 -0.053 0.000 2.434 542 Y HA 0.708 5.259 4.550 0.002 0.000 0.341 542 Y C -0.511 175.380 175.900 -0.015 0.000 0.965 542 Y CA -1.605 56.501 58.100 0.009 0.000 1.205 542 Y CB 0.439 38.957 38.460 0.096 0.000 1.121 542 Y HN 0.568 nan 8.280 nan 0.000 0.507 543 M N 6.836 126.516 119.600 0.133 0.000 2.716 543 M HA 0.521 5.002 4.480 0.002 0.000 0.307 543 M C -1.488 174.956 176.300 0.241 0.000 1.223 543 M CA -1.089 54.217 55.300 0.010 0.000 0.871 543 M CB 2.795 35.264 32.600 -0.218 0.000 1.739 543 M HN 0.501 nan 8.290 nan 0.000 0.475 544 Y N -1.682 118.717 120.300 0.166 0.000 2.553 544 Y HA 0.853 5.403 4.550 0.002 0.000 0.347 544 Y C -0.665 175.366 175.900 0.218 0.000 1.019 544 Y CA -1.362 56.861 58.100 0.206 0.000 1.032 544 Y CB 0.930 39.389 38.460 -0.003 0.000 1.284 544 Y HN 0.716 nan 8.280 nan 0.000 0.466 545 S N 1.018 116.849 115.700 0.218 0.000 2.616 545 S HA 0.812 5.283 4.470 0.002 0.000 0.277 545 S C -0.421 174.128 174.600 -0.086 0.000 1.234 545 S CA -0.207 57.836 58.200 -0.261 0.000 1.028 545 S CB 1.800 64.799 63.200 -0.335 0.000 0.988 545 S HN 1.075 nan 8.310 nan 0.000 0.522 546 T N 0.358 114.749 114.554 -0.271 0.000 2.802 546 T HA 0.436 4.787 4.350 0.002 0.000 0.311 546 T C -2.187 172.370 174.700 -0.238 0.000 1.405 546 T CA -0.583 61.477 62.100 -0.067 0.000 1.016 546 T CB 0.745 69.666 68.868 0.087 0.000 1.352 546 T HN 0.584 nan 8.240 nan 0.000 0.498 547 Y N 2.186 122.481 120.300 -0.009 0.000 2.804 547 Y HA 0.550 5.101 4.550 0.002 0.000 0.330 547 Y C 0.776 176.680 175.900 0.006 0.000 1.092 547 Y CA -0.262 57.833 58.100 -0.009 0.000 1.315 547 Y CB 0.704 39.168 38.460 0.007 0.000 1.188 547 Y HN 0.604 nan 8.280 nan 0.000 0.512 548 E N 0.024 120.235 120.200 0.018 0.000 2.475 548 E HA 0.292 4.643 4.350 0.002 0.000 0.221 548 E C 0.507 177.118 176.600 0.020 0.000 0.793 548 E CA -0.524 55.898 56.400 0.038 0.000 0.922 548 E CB 1.165 30.887 29.700 0.037 0.000 1.778 548 E HN 0.284 nan 8.360 nan 0.000 0.392 549 E N 0.557 120.768 120.200 0.019 0.000 2.065 549 E HA 0.026 4.377 4.350 0.002 0.000 0.191 549 E C -0.181 176.423 176.600 0.007 0.000 0.960 549 E CA 0.485 56.897 56.400 0.018 0.000 0.824 549 E CB 0.234 29.948 29.700 0.023 0.000 0.793 549 E HN 0.340 nan 8.360 nan 0.000 0.459 550 E N 0.541 120.742 120.200 0.002 0.000 2.227 550 E HA 0.142 4.493 4.350 0.002 0.000 0.282 550 E C -1.129 175.464 176.600 -0.012 0.000 1.015 550 E CA -0.252 56.148 56.400 -0.000 0.000 0.823 550 E CB 1.152 30.854 29.700 0.003 0.000 1.081 550 E HN 0.040 nan 8.360 nan 0.000 0.396 551 C N 4.582 123.883 119.300 0.002 0.000 2.341 551 C HA 0.327 4.788 4.460 0.002 0.000 0.338 551 C C 0.662 175.667 174.990 0.024 0.000 1.257 551 C CA -0.286 58.742 59.018 0.016 0.000 1.883 551 C CB 0.084 27.854 27.740 0.050 0.000 2.334 551 C HN 0.924 nan 8.230 nan 0.000 0.524 552 E N 3.096 123.311 120.200 0.025 0.000 2.498 552 E HA 0.108 4.459 4.350 0.002 0.000 0.203 552 E C 1.689 178.303 176.600 0.022 0.000 1.013 552 E CA 0.381 56.788 56.400 0.012 0.000 0.927 552 E CB 0.380 30.070 29.700 -0.016 0.000 1.012 552 E HN 0.824 nan 8.360 nan 0.000 0.482 553 A N 2.434 125.294 122.820 0.066 0.000 1.892 553 A HA -0.239 4.082 4.320 0.002 0.000 0.218 553 A C 0.886 178.480 177.584 0.017 0.000 1.188 553 A CA 1.070 53.133 52.037 0.043 0.000 0.631 553 A CB -0.494 18.558 19.000 0.087 0.000 0.822 553 A HN 0.326 nan 8.150 nan 0.000 0.447 554 N N -0.541 118.175 118.700 0.026 0.000 2.689 554 N HA -0.115 4.626 4.740 0.002 0.000 0.263 554 N C -2.486 173.032 175.510 0.014 0.000 0.987 554 N CA 1.192 54.252 53.050 0.017 0.000 0.782 554 N CB -1.797 36.697 38.487 0.011 0.000 0.903 554 N HN 0.445 nan 8.380 nan 0.000 0.547 555 P HA 0.048 nan 4.420 nan 0.000 0.267 555 P C 0.358 177.667 177.300 0.015 0.000 1.200 555 P CA -0.030 63.082 63.100 0.020 0.000 0.772 555 P CB 0.523 32.234 31.700 0.019 0.000 0.855 556 S N 0.275 115.985 115.700 0.016 0.000 2.585 556 S HA 0.248 4.719 4.470 0.002 0.000 0.273 556 S C 1.030 175.636 174.600 0.011 0.000 1.339 556 S CA 0.245 58.453 58.200 0.013 0.000 1.028 556 S CB 0.277 63.485 63.200 0.014 0.000 0.906 556 S HN 0.641 nan 8.310 nan 0.000 0.528 557 T N -2.548 112.010 114.554 0.008 0.000 3.010 557 T HA 0.162 4.513 4.350 0.002 0.000 0.257 557 T C 0.808 175.510 174.700 0.004 0.000 1.020 557 T CA 0.042 62.146 62.100 0.006 0.000 0.938 557 T CB -0.138 68.733 68.868 0.004 0.000 1.049 557 T HN 0.492 nan 8.240 nan 0.000 0.522 558 D N 2.409 122.811 120.400 0.004 0.000 2.120 558 D HA -0.015 4.625 4.640 0.002 0.000 0.216 558 D C 1.117 177.416 176.300 -0.002 0.000 0.999 558 D CA 0.949 54.949 54.000 0.000 0.000 0.903 558 D CB 0.078 40.879 40.800 0.002 0.000 1.104 558 D HN 0.337 nan 8.370 nan 0.000 0.466 559 R N 0.931 121.432 120.500 0.002 0.000 2.637 559 R HA 0.227 4.568 4.340 0.002 0.000 0.269 559 R C 0.163 176.476 176.300 0.021 0.000 1.089 559 R CA -0.178 55.923 56.100 0.001 0.000 1.177 559 R CB 0.158 30.464 30.300 0.010 0.000 1.091 559 R HN 0.345 nan 8.270 nan 0.000 0.540 560 E N 1.977 122.194 120.200 0.028 0.000 2.229 560 E HA 0.133 4.484 4.350 0.002 0.000 0.283 560 E C -0.593 176.110 176.600 0.171 0.000 1.030 560 E CA -0.137 56.318 56.400 0.090 0.000 0.836 560 E CB 1.035 30.802 29.700 0.112 0.000 1.068 560 E HN 0.198 nan 8.360 nan 0.000 0.401 561 K N 2.817 123.292 120.400 0.126 0.000 2.156 561 K HA 0.530 4.851 4.320 0.002 0.000 0.254 561 K C -0.360 176.278 176.600 0.064 0.000 0.950 561 K CA -0.688 55.663 56.287 0.106 0.000 0.849 561 K CB 1.579 34.113 32.500 0.057 0.000 1.100 561 K HN 0.335 nan 8.250 nan 0.000 0.434 562 I N 2.895 123.479 120.570 0.023 0.000 2.447 562 I HA 0.290 4.461 4.170 0.002 0.000 0.287 562 I C -0.786 175.298 176.117 -0.054 0.000 1.023 562 I CA -0.532 60.721 61.300 -0.078 0.000 1.083 562 I CB 1.682 39.547 38.000 -0.226 0.000 1.245 562 I HN 0.659 nan 8.210 nan 0.000 0.434 563 M N 6.717 126.278 119.600 -0.066 0.000 2.205 563 M HA 0.497 4.978 4.480 0.002 0.000 0.344 563 M C -1.329 174.926 176.300 -0.074 0.000 1.085 563 M CA -0.596 54.673 55.300 -0.053 0.000 1.001 563 M CB 1.527 34.092 32.600 -0.057 0.000 1.626 563 M HN 0.302 nan 8.290 nan 0.000 0.442 564 V N 6.595 126.478 119.914 -0.051 0.000 2.417 564 V HA 0.431 4.552 4.120 0.002 0.000 0.291 564 V C -0.289 175.790 176.094 -0.025 0.000 1.024 564 V CA -0.733 61.537 62.300 -0.051 0.000 0.861 564 V CB 1.407 33.215 31.823 -0.026 0.000 0.985 564 V HN 0.773 nan 8.190 nan 0.000 0.436 565 L N 4.459 125.666 121.223 -0.026 0.000 2.282 565 L HA 0.683 5.024 4.340 0.002 0.000 0.288 565 L C 1.024 177.895 176.870 0.002 0.000 1.033 565 L CA -0.212 54.617 54.840 -0.019 0.000 0.807 565 L CB 1.293 43.335 42.059 -0.029 0.000 1.209 565 L HN 0.766 nan 8.230 nan 0.000 0.423 566 G N 1.206 109.999 108.800 -0.012 0.000 2.563 566 G HA2 0.404 4.365 3.960 0.002 0.000 0.283 566 G HA3 0.404 4.365 3.960 0.002 0.000 0.283 566 G C 0.650 175.536 174.900 -0.022 0.000 1.309 566 G CA -0.014 45.081 45.100 -0.008 0.000 1.022 566 G HN 0.771 nan 8.290 nan 0.000 0.501 567 G N -1.643 107.144 108.800 -0.021 0.000 3.575 567 G HA2 0.540 4.501 3.960 0.002 0.000 0.273 567 G HA3 0.540 4.501 3.960 0.002 0.000 0.273 567 G C 0.931 175.801 174.900 -0.050 0.000 1.053 567 G CA 0.808 45.881 45.100 -0.046 0.000 0.803 567 G HN 1.797 nan 8.290 nan 0.000 0.528 568 G N 0.969 109.734 108.800 -0.058 0.000 2.528 568 G HA2 -0.208 3.753 3.960 0.002 0.000 0.262 568 G HA3 -0.208 3.753 3.960 0.002 0.000 0.262 568 G C -2.337 172.531 174.900 -0.052 0.000 1.200 568 G CA -0.183 44.879 45.100 -0.064 0.000 0.951 568 G HN 0.415 nan 8.290 nan 0.000 0.566 569 P HA 0.264 nan 4.420 nan 0.000 0.272 569 P C -0.225 177.059 177.300 -0.027 0.000 1.223 569 P CA -0.172 62.906 63.100 -0.036 0.000 0.784 569 P CB 0.277 31.955 31.700 -0.036 0.000 0.923 570 N N 1.545 120.230 118.700 -0.024 0.000 2.503 570 N HA 0.440 5.181 4.740 0.002 0.000 0.267 570 N C 0.097 175.596 175.510 -0.018 0.000 1.214 570 N CA -0.194 52.855 53.050 -0.003 0.000 0.959 570 N CB 0.486 38.974 38.487 0.001 0.000 1.142 570 N HN 0.331 nan 8.380 nan 0.000 0.455 571 R N 0.224 120.724 120.500 -0.001 0.000 2.795 571 R HA 0.465 4.806 4.340 0.002 0.000 0.268 571 R C -0.978 175.329 176.300 0.012 0.000 1.041 571 R CA -0.815 55.282 56.100 -0.006 0.000 0.927 571 R CB 0.858 31.150 30.300 -0.014 0.000 1.235 571 R HN 0.403 nan 8.270 nan 0.000 0.463 572 I N 1.857 122.433 120.570 0.010 0.000 2.587 572 I HA 0.170 4.341 4.170 0.002 0.000 0.284 572 I C 1.051 177.163 176.117 -0.008 0.000 1.134 572 I CA 1.650 62.954 61.300 0.007 0.000 1.410 572 I CB 0.524 38.533 38.000 0.015 0.000 1.392 572 I HN 0.971 nan 8.210 nan 0.000 0.545 573 G N 4.843 113.658 108.800 0.025 0.000 2.232 573 G HA2 -0.192 3.769 3.960 0.002 0.000 0.226 573 G HA3 -0.192 3.769 3.960 0.002 0.000 0.226 573 G C 0.293 175.318 174.900 0.209 0.000 0.996 573 G CA -0.457 44.681 45.100 0.062 0.000 0.626 573 G HN 0.534 nan 8.290 nan 0.000 0.509 574 Q N 0.983 120.888 119.800 0.176 0.000 2.928 574 Q HA 0.503 4.844 4.340 0.002 0.000 0.353 574 Q C 0.779 176.953 176.000 0.290 0.000 0.870 574 Q CA 0.290 56.238 55.803 0.241 0.000 0.963 574 Q CB 0.936 29.656 28.738 -0.029 0.000 1.419 574 Q HN 0.534 nan 8.270 nan 0.000 0.396 575 G N 0.355 109.337 108.800 0.304 0.000 2.630 575 G HA2 0.245 4.206 3.960 0.002 0.000 0.223 575 G HA3 0.245 4.206 3.960 0.002 0.000 0.223 575 G C 0.776 175.752 174.900 0.127 0.000 1.434 575 G CA -0.539 44.647 45.100 0.142 0.000 1.057 575 G HN 0.437 nan 8.290 nan 0.000 0.570 576 I N -0.038 120.553 120.570 0.035 0.000 2.567 576 I HA -0.118 4.053 4.170 0.002 0.000 0.257 576 I C 2.424 178.529 176.117 -0.021 0.000 1.184 576 I CA 1.238 62.554 61.300 0.027 0.000 1.451 576 I CB -0.050 37.962 38.000 0.020 0.000 1.089 576 I HN 0.505 nan 8.210 nan 0.000 0.441 577 E N 0.571 120.667 120.200 -0.173 0.000 2.110 577 E HA -0.218 4.133 4.350 0.002 0.000 0.193 577 E C 1.806 178.179 176.600 -0.377 0.000 0.988 577 E CA 1.582 57.763 56.400 -0.364 0.000 0.804 577 E CB -0.324 29.026 29.700 -0.583 0.000 0.745 577 E HN 0.486 nan 8.360 nan 0.000 0.458 578 F N 0.561 120.511 119.950 -0.000 0.000 2.206 578 F HA -0.051 4.477 4.527 0.002 0.000 0.298 578 F C 2.046 177.862 175.800 0.026 0.000 1.090 578 F CA 1.177 59.178 58.000 0.001 0.000 1.323 578 F CB -0.511 38.490 39.000 0.002 0.000 1.028 578 F HN -0.013 nan 8.300 nan 0.000 0.492 579 D N -1.030 119.479 120.400 0.183 0.000 2.144 579 D HA -0.269 4.372 4.640 0.002 0.000 0.199 579 D C 2.115 178.464 176.300 0.082 0.000 0.984 579 D CA 0.939 55.008 54.000 0.115 0.000 0.834 579 D CB -0.248 40.598 40.800 0.077 0.000 0.955 579 D HN 0.300 nan 8.370 nan 0.000 0.465 580 Y N 0.297 120.545 120.300 -0.086 0.000 2.207 580 Y HA -0.240 4.311 4.550 0.002 0.000 0.287 580 Y C 2.055 177.813 175.900 -0.237 0.000 1.156 580 Y CA 1.290 59.282 58.100 -0.179 0.000 1.182 580 Y CB -0.415 37.908 38.460 -0.228 0.000 0.979 580 Y HN 0.144 nan 8.280 nan 0.000 0.521 581 C N -1.094 118.227 119.300 0.034 0.000 2.446 581 C HA -0.173 4.288 4.460 0.002 0.000 0.277 581 C C 2.990 178.046 174.990 0.111 0.000 1.275 581 C CA 0.957 59.927 59.018 -0.080 0.000 1.727 581 C CB -1.628 25.909 27.740 -0.339 0.000 2.010 581 C HN 0.774 nan 8.230 nan 0.000 0.486 582 C N 0.386 119.790 119.300 0.174 0.000 2.398 582 C HA -0.119 4.342 4.460 0.002 0.000 0.276 582 C C 2.762 177.834 174.990 0.137 0.000 1.222 582 C CA 1.357 60.508 59.018 0.222 0.000 1.746 582 C CB -1.335 26.490 27.740 0.142 0.000 2.039 582 C HN 0.539 nan 8.230 nan 0.000 0.470 583 V N -0.349 119.593 119.914 0.047 0.000 2.287 583 V HA -0.275 3.846 4.120 0.002 0.000 0.248 583 V C 2.226 178.375 176.094 0.092 0.000 1.053 583 V CA 2.221 64.534 62.300 0.022 0.000 1.027 583 V CB -0.959 30.831 31.823 -0.055 0.000 0.646 583 V HN 0.668 nan 8.190 nan 0.000 0.447 584 H N -0.491 118.516 119.070 -0.104 0.000 2.387 584 H HA -0.130 4.427 4.556 0.002 0.000 0.299 584 H C 2.341 177.692 175.328 0.039 0.000 1.090 584 H CA 1.017 57.020 56.048 -0.076 0.000 1.332 584 H CB 0.032 29.733 29.762 -0.102 0.000 1.386 584 H HN 0.483 nan 8.280 nan 0.000 0.516 585 A N 0.278 123.259 122.820 0.268 0.000 1.883 585 A HA -0.231 4.090 4.320 0.002 0.000 0.217 585 A C 2.538 180.160 177.584 0.063 0.000 1.186 585 A CA 1.907 54.051 52.037 0.178 0.000 0.624 585 A CB -0.791 18.278 19.000 0.115 0.000 0.822 585 A HN 0.395 nan 8.150 nan 0.000 0.444 586 S N -0.433 115.305 115.700 0.063 0.000 2.355 586 S HA -0.097 4.374 4.470 0.002 0.000 0.222 586 S C 1.992 176.612 174.600 0.034 0.000 1.031 586 S CA 1.397 59.617 58.200 0.034 0.000 0.993 586 S CB -0.551 62.669 63.200 0.033 0.000 0.859 586 S HN 0.476 nan 8.310 nan 0.000 0.453 587 L N 1.155 122.397 121.223 0.031 0.000 2.042 587 L HA -0.133 4.208 4.340 0.002 0.000 0.210 587 L C 3.021 179.892 176.870 0.002 0.000 1.076 587 L CA 1.442 56.285 54.840 0.006 0.000 0.749 587 L CB -0.938 41.102 42.059 -0.031 0.000 0.893 587 L HN 0.452 nan 8.230 nan 0.000 0.432 588 A N 0.349 123.170 122.820 0.002 0.000 1.845 588 A HA -0.151 4.170 4.320 0.002 0.000 0.215 588 A C 2.224 179.840 177.584 0.054 0.000 1.195 588 A CA 1.380 53.423 52.037 0.011 0.000 0.616 588 A CB -0.801 18.207 19.000 0.014 0.000 0.832 588 A HN 0.346 nan 8.150 nan 0.000 0.443 589 L N -0.886 120.370 121.223 0.055 0.000 2.131 589 L HA -0.185 4.156 4.340 0.002 0.000 0.210 589 L C 2.792 179.797 176.870 0.224 0.000 1.092 589 L CA 1.760 56.674 54.840 0.123 0.000 0.759 589 L CB -0.554 41.459 42.059 -0.076 0.000 0.903 589 L HN 0.543 nan 8.230 nan 0.000 0.435 590 R N 0.834 121.406 120.500 0.121 0.000 2.075 590 R HA -0.226 4.115 4.340 0.002 0.000 0.232 590 R C 2.184 178.530 176.300 0.078 0.000 1.126 590 R CA 1.751 57.912 56.100 0.103 0.000 0.963 590 R CB -0.077 30.261 30.300 0.062 0.000 0.858 590 R HN 0.260 nan 8.270 nan 0.000 0.435 591 E N 0.414 120.650 120.200 0.060 0.000 2.110 591 E HA -0.185 4.166 4.350 0.002 0.000 0.193 591 E C 1.099 177.725 176.600 0.043 0.000 0.988 591 E CA 1.762 58.184 56.400 0.037 0.000 0.804 591 E CB -0.058 29.654 29.700 0.020 0.000 0.745 591 E HN 0.332 nan 8.360 nan 0.000 0.458 592 D N -1.417 119.034 120.400 0.086 0.000 2.312 592 D HA 0.038 4.679 4.640 0.002 0.000 0.211 592 D C 1.114 177.415 176.300 0.001 0.000 0.964 592 D CA 1.242 55.295 54.000 0.089 0.000 0.877 592 D CB 0.469 41.400 40.800 0.218 0.000 0.924 592 D HN 0.395 nan 8.370 nan 0.000 0.515 593 G N -1.362 107.443 108.800 0.009 0.000 2.205 593 G HA2 -0.229 3.732 3.960 0.002 0.000 0.180 593 G HA3 -0.229 3.732 3.960 0.002 0.000 0.180 593 G C 0.019 174.837 174.900 -0.137 0.000 1.004 593 G CA -0.435 44.608 45.100 -0.096 0.000 0.670 593 G HN 0.259 nan 8.290 nan 0.000 0.496 594 Y N 0.917 121.216 120.300 -0.001 0.000 2.298 594 Y HA 0.529 5.080 4.550 0.002 0.000 0.329 594 Y C 0.980 176.882 175.900 0.002 0.000 1.293 594 Y CA -0.112 57.988 58.100 -0.001 0.000 1.388 594 Y CB 0.650 39.107 38.460 -0.004 0.000 1.309 594 Y HN 0.127 nan 8.280 nan 0.000 0.544 595 E N 1.461 121.769 120.200 0.181 0.000 2.089 595 E HA 0.155 4.506 4.350 0.002 0.000 0.284 595 E C -1.024 175.641 176.600 0.108 0.000 1.023 595 E CA -0.555 55.910 56.400 0.108 0.000 0.819 595 E CB 0.485 30.229 29.700 0.072 0.000 1.076 595 E HN 0.664 nan 8.360 nan 0.000 0.396 596 T N 2.639 117.243 114.554 0.084 0.000 2.767 596 T HA 0.502 4.853 4.350 0.002 0.000 0.288 596 T C 0.155 174.888 174.700 0.055 0.000 0.963 596 T CA -0.710 61.425 62.100 0.058 0.000 1.019 596 T CB 0.454 69.350 68.868 0.047 0.000 0.923 596 T HN 0.314 nan 8.240 nan 0.000 0.468 597 I N 3.688 124.290 120.570 0.054 0.000 2.355 597 I HA 0.407 4.578 4.170 0.002 0.000 0.288 597 I C -0.221 175.939 176.117 0.072 0.000 0.999 597 I CA -0.953 60.401 61.300 0.089 0.000 1.163 597 I CB 1.771 39.839 38.000 0.113 0.000 1.316 597 I HN 0.551 nan 8.210 nan 0.000 0.454 598 M N 7.883 127.535 119.600 0.087 0.000 2.238 598 M HA 0.488 4.969 4.480 0.002 0.000 0.350 598 M C -1.263 175.089 176.300 0.086 0.000 1.138 598 M CA -0.341 54.992 55.300 0.055 0.000 1.040 598 M CB 1.421 34.036 32.600 0.024 0.000 1.639 598 M HN 0.298 nan 8.290 nan 0.000 0.451 599 V N 5.758 125.695 119.914 0.038 0.000 2.350 599 V HA 0.678 4.799 4.120 0.002 0.000 0.285 599 V C -0.505 175.563 176.094 -0.044 0.000 1.014 599 V CA -0.568 61.749 62.300 0.029 0.000 0.831 599 V CB 0.837 32.660 31.823 -0.000 0.000 1.000 599 V HN 0.937 nan 8.190 nan 0.000 0.433 600 N N 2.562 121.188 118.700 -0.124 0.000 2.961 600 N HA 0.499 5.240 4.740 0.002 0.000 0.245 600 N C -0.411 174.765 175.510 -0.556 0.000 1.404 600 N CA -0.273 52.632 53.050 -0.243 0.000 0.880 600 N CB 2.020 40.380 38.487 -0.212 0.000 1.461 600 N HN 0.642 nan 8.380 nan 0.000 0.510 601 C N -0.502 118.466 119.300 -0.552 0.000 3.489 601 C HA 0.499 4.960 4.460 0.002 0.000 0.264 601 C C 0.060 174.820 174.990 -0.383 0.000 2.026 601 C CA -1.028 57.509 59.018 -0.800 0.000 1.705 601 C CB -1.517 26.097 27.740 -0.209 0.000 3.389 601 C HN 0.576 nan 8.230 nan 0.000 0.459 602 N N 3.260 121.770 118.700 -0.317 0.000 2.406 602 N HA 0.295 5.036 4.740 0.002 0.000 0.251 602 N C -1.172 174.331 175.510 -0.012 0.000 1.069 602 N CA -1.941 51.047 53.050 -0.104 0.000 0.947 602 N CB 1.648 40.079 38.487 -0.094 0.000 1.111 602 N HN 0.254 nan 8.380 nan 0.000 0.497 603 P HA -0.047 nan 4.420 nan 0.000 0.226 603 P C 0.341 177.581 177.300 -0.099 0.000 1.153 603 P CA 1.079 64.270 63.100 0.152 0.000 0.777 603 P CB 0.485 32.259 31.700 0.123 0.000 0.794 604 E N -0.108 120.025 120.200 -0.111 0.000 2.285 604 E HA -0.023 4.328 4.350 0.002 0.000 0.194 604 E C 0.952 177.448 176.600 -0.174 0.000 0.997 604 E CA 0.651 56.954 56.400 -0.162 0.000 0.845 604 E CB -0.259 29.378 29.700 -0.107 0.000 0.782 604 E HN 0.379 nan 8.360 nan 0.000 0.491 605 T N -2.208 112.256 114.554 -0.150 0.000 2.849 605 T HA 0.172 4.523 4.350 0.002 0.000 0.284 605 T C 1.259 175.919 174.700 -0.066 0.000 1.004 605 T CA -0.739 61.313 62.100 -0.079 0.000 1.021 605 T CB 1.804 70.639 68.868 -0.055 0.000 1.013 605 T HN -0.225 nan 8.240 nan 0.000 0.527 606 V N 1.808 121.755 119.914 0.055 0.000 2.871 606 V HA -0.092 4.029 4.120 0.002 0.000 0.256 606 V C 2.968 179.075 176.094 0.021 0.000 1.082 606 V CA 1.792 64.159 62.300 0.111 0.000 1.105 606 V CB -0.851 31.030 31.823 0.097 0.000 0.713 606 V HN 1.105 nan 8.190 nan 0.000 0.473 607 S N 0.963 116.654 115.700 -0.014 0.000 2.400 607 S HA -0.194 4.277 4.470 0.002 0.000 0.232 607 S C 1.751 176.311 174.600 -0.067 0.000 1.025 607 S CA 1.742 59.922 58.200 -0.033 0.000 0.993 607 S CB -0.790 62.393 63.200 -0.029 0.000 0.808 607 S HN 0.699 nan 8.310 nan 0.000 0.478 608 T N -0.951 113.544 114.554 -0.097 0.000 3.206 608 T HA 0.224 4.575 4.350 0.002 0.000 0.253 608 T C -0.082 174.544 174.700 -0.125 0.000 1.042 608 T CA -0.328 61.711 62.100 -0.102 0.000 0.931 608 T CB -0.247 68.579 68.868 -0.069 0.000 1.029 608 T HN 0.296 nan 8.240 nan 0.000 0.564 609 D N 1.494 121.826 120.400 -0.112 0.000 2.295 609 D HA 0.088 4.729 4.640 0.002 0.000 0.248 609 D C 1.113 177.271 176.300 -0.236 0.000 1.154 609 D CA -0.948 52.962 54.000 -0.150 0.000 0.857 609 D CB 0.813 41.615 40.800 0.004 0.000 1.117 609 D HN 0.428 nan 8.370 nan 0.000 0.468 610 Y N 2.058 122.287 120.300 -0.118 0.000 2.298 610 Y HA -0.129 4.422 4.550 0.002 0.000 0.287 610 Y C 1.324 177.208 175.900 -0.027 0.000 1.164 610 Y CA 0.857 58.885 58.100 -0.120 0.000 1.229 610 Y CB -0.480 37.931 38.460 -0.081 0.000 0.977 610 Y HN 0.252 nan 8.280 nan 0.000 0.538 611 D N 0.262 120.570 120.400 -0.153 0.000 2.269 611 D HA -0.098 4.543 4.640 0.002 0.000 0.208 611 D C 1.772 178.074 176.300 0.004 0.000 0.963 611 D CA 1.590 55.588 54.000 -0.003 0.000 0.864 611 D CB -0.218 40.534 40.800 -0.079 0.000 0.936 611 D HN 0.496 nan 8.370 nan 0.000 0.505 612 T N -0.155 114.386 114.554 -0.023 0.000 2.962 612 T HA -0.039 4.312 4.350 0.002 0.000 0.270 612 T C 1.177 175.887 174.700 0.016 0.000 1.088 612 T CA 0.746 62.844 62.100 -0.003 0.000 1.127 612 T CB 0.122 68.984 68.868 -0.010 0.000 0.883 612 T HN 0.222 nan 8.240 nan 0.000 0.493 613 S N -0.491 115.225 115.700 0.027 0.000 2.720 613 S HA 0.410 4.881 4.470 0.002 0.000 0.287 613 S C -0.138 174.491 174.600 0.048 0.000 1.168 613 S CA -0.935 57.286 58.200 0.036 0.000 0.832 613 S CB 1.561 64.780 63.200 0.032 0.000 1.166 613 S HN -0.085 nan 8.310 nan 0.000 0.493 614 D N 0.572 121.001 120.400 0.048 0.000 2.162 614 D HA 0.107 4.748 4.640 0.002 0.000 0.203 614 D C 0.160 176.481 176.300 0.036 0.000 0.967 614 D CA 1.051 55.078 54.000 0.046 0.000 0.840 614 D CB 0.127 40.954 40.800 0.045 0.000 0.972 614 D HN 0.431 nan 8.370 nan 0.000 0.482 615 R N 0.156 120.675 120.500 0.032 0.000 2.538 615 R HA 0.488 4.829 4.340 0.002 0.000 0.292 615 R C -1.282 175.020 176.300 0.004 0.000 1.008 615 R CA -0.751 55.345 56.100 -0.006 0.000 0.896 615 R CB 2.374 32.670 30.300 -0.007 0.000 1.187 615 R HN -0.100 nan 8.270 nan 0.000 0.440 616 L N 2.827 124.019 121.223 -0.053 0.000 2.349 616 L HA 0.470 4.811 4.340 0.002 0.000 0.278 616 L C -1.714 175.132 176.870 -0.040 0.000 0.996 616 L CA -0.517 54.326 54.840 0.004 0.000 0.825 616 L CB 1.025 43.080 42.059 -0.008 0.000 1.243 616 L HN 0.524 nan 8.230 nan 0.000 0.412 617 Y N 5.201 125.561 120.300 0.101 0.000 2.369 617 Y HA 0.346 4.897 4.550 0.002 0.000 0.337 617 Y C -0.476 175.545 175.900 0.202 0.000 0.961 617 Y CA -0.116 58.074 58.100 0.150 0.000 1.186 617 Y CB 1.189 39.672 38.460 0.039 0.000 1.139 617 Y HN 0.565 nan 8.280 nan 0.000 0.494 618 F N 5.084 125.230 119.950 0.327 0.000 2.567 618 F HA 0.286 4.814 4.527 0.002 0.000 0.352 618 F C -0.132 175.812 175.800 0.240 0.000 1.229 618 F CA -0.207 57.958 58.000 0.274 0.000 1.228 618 F CB -0.262 38.967 39.000 0.382 0.000 1.568 618 F HN 0.427 nan 8.300 nan 0.000 0.634 619 E N 4.509 124.836 120.200 0.212 0.000 2.392 619 E HA 0.369 4.720 4.350 0.002 0.000 0.269 619 E C -2.723 173.926 176.600 0.082 0.000 0.924 619 E CA -2.325 54.200 56.400 0.208 0.000 0.784 619 E CB 1.580 31.423 29.700 0.239 0.000 1.292 619 E HN 0.113 nan 8.360 nan 0.000 0.447 620 P HA 0.036 nan 4.420 nan 0.000 0.268 620 P C -0.141 177.175 177.300 0.028 0.000 1.204 620 P CA -0.115 63.014 63.100 0.049 0.000 0.768 620 P CB 0.401 32.137 31.700 0.061 0.000 0.842 621 V N 3.927 123.840 119.914 -0.002 0.000 2.223 621 V HA 0.192 4.313 4.120 0.002 0.000 0.249 621 V C 0.809 176.901 176.094 -0.004 0.000 1.233 621 V CA 0.243 62.536 62.300 -0.011 0.000 1.131 621 V CB -0.962 30.842 31.823 -0.031 0.000 1.298 621 V HN 0.704 nan 8.190 nan 0.000 0.498 622 T N 0.109 114.668 114.554 0.009 0.000 2.901 622 T HA 0.532 4.883 4.350 0.002 0.000 0.293 622 T C 0.611 175.319 174.700 0.013 0.000 1.084 622 T CA -0.683 61.425 62.100 0.013 0.000 1.008 622 T CB 2.092 70.977 68.868 0.029 0.000 1.170 622 T HN 0.108 nan 8.240 nan 0.000 0.509 623 L N 0.997 122.227 121.223 0.011 0.000 2.013 623 L HA -0.019 4.322 4.340 0.002 0.000 0.212 623 L C 2.642 179.527 176.870 0.025 0.000 1.073 623 L CA 2.528 57.374 54.840 0.011 0.000 0.753 623 L CB -0.803 41.261 42.059 0.009 0.000 0.890 623 L HN 1.004 nan 8.230 nan 0.000 0.432 624 E N -0.747 119.477 120.200 0.040 0.000 2.038 624 E HA -0.276 4.075 4.350 0.002 0.000 0.195 624 E C 1.738 178.382 176.600 0.073 0.000 1.000 624 E CA 1.865 58.302 56.400 0.061 0.000 0.803 624 E CB -0.232 29.514 29.700 0.075 0.000 0.750 624 E HN 0.631 nan 8.360 nan 0.000 0.448 625 D N 0.005 120.448 120.400 0.071 0.000 2.144 625 D HA -0.119 4.522 4.640 0.002 0.000 0.200 625 D C 2.095 178.423 176.300 0.046 0.000 0.978 625 D CA 0.984 55.035 54.000 0.085 0.000 0.833 625 D CB 0.094 40.953 40.800 0.099 0.000 0.961 625 D HN 0.172 nan 8.370 nan 0.000 0.470 626 V N 1.261 121.181 119.914 0.011 0.000 2.591 626 V HA -0.115 4.006 4.120 0.002 0.000 0.249 626 V C 2.553 178.620 176.094 -0.044 0.000 1.053 626 V CA 0.655 62.932 62.300 -0.039 0.000 1.068 626 V CB -0.210 31.589 31.823 -0.039 0.000 0.689 626 V HN 0.162 nan 8.190 nan 0.000 0.462 627 L N -0.396 120.824 121.223 -0.005 0.000 2.141 627 L HA -0.099 4.242 4.340 0.002 0.000 0.209 627 L C 2.646 179.519 176.870 0.006 0.000 1.094 627 L CA 1.108 55.947 54.840 -0.001 0.000 0.763 627 L CB -0.427 41.646 42.059 0.023 0.000 0.908 627 L HN 0.334 nan 8.230 nan 0.000 0.437 628 E N 0.148 120.374 120.200 0.043 0.000 2.152 628 E HA -0.129 4.222 4.350 0.002 0.000 0.192 628 E C 2.239 178.852 176.600 0.022 0.000 0.983 628 E CA 1.052 57.502 56.400 0.084 0.000 0.818 628 E CB 0.008 29.813 29.700 0.175 0.000 0.758 628 E HN 0.530 nan 8.360 nan 0.000 0.467 629 I N 0.299 120.806 120.570 -0.106 0.000 2.233 629 I HA -0.201 3.970 4.170 0.002 0.000 0.243 629 I C 2.395 178.349 176.117 -0.272 0.000 1.093 629 I CA 0.543 61.609 61.300 -0.388 0.000 1.380 629 I CB -0.218 37.337 38.000 -0.741 0.000 1.067 629 I HN -0.107 nan 8.210 nan 0.000 0.413 630 V N 1.093 120.898 119.914 -0.181 0.000 2.469 630 V HA -0.318 3.803 4.120 0.002 0.000 0.251 630 V C 2.636 178.677 176.094 -0.089 0.000 1.064 630 V CA 2.034 64.262 62.300 -0.121 0.000 1.066 630 V CB -0.842 30.930 31.823 -0.084 0.000 0.667 630 V HN 0.431 nan 8.190 nan 0.000 0.461 631 R N 0.506 120.959 120.500 -0.078 0.000 2.127 631 R HA -0.177 4.164 4.340 0.002 0.000 0.238 631 R C 2.140 178.395 176.300 -0.075 0.000 1.134 631 R CA 2.338 58.394 56.100 -0.073 0.000 0.975 631 R CB -0.230 30.018 30.300 -0.087 0.000 0.865 631 R HN 0.744 nan 8.270 nan 0.000 0.447 632 I N -3.159 117.366 120.570 -0.075 0.000 3.339 632 I HA 0.155 4.326 4.170 0.002 0.000 0.285 632 I C 1.417 177.503 176.117 -0.052 0.000 1.201 632 I CA 0.153 61.421 61.300 -0.053 0.000 1.434 632 I CB -0.015 37.975 38.000 -0.017 0.000 1.152 632 I HN -0.117 nan 8.210 nan 0.000 0.443 633 E N 2.003 122.154 120.200 -0.083 0.000 2.107 633 E HA -0.081 4.270 4.350 0.002 0.000 0.191 633 E C 0.285 176.865 176.600 -0.033 0.000 0.982 633 E CA 0.500 56.870 56.400 -0.051 0.000 0.809 633 E CB -0.150 29.512 29.700 -0.062 0.000 0.756 633 E HN 0.442 nan 8.360 nan 0.000 0.459 634 K N 0.729 121.103 120.400 -0.044 0.000 3.393 634 K HA -0.128 4.193 4.320 0.002 0.000 0.272 634 K C -2.494 174.096 176.600 -0.017 0.000 1.004 634 K CA 0.300 56.570 56.287 -0.028 0.000 0.764 634 K CB -1.067 31.422 32.500 -0.018 0.000 1.373 634 K HN 0.214 nan 8.250 nan 0.000 0.458 635 P HA -0.060 nan 4.420 nan 0.000 0.271 635 P C 0.314 177.612 177.300 -0.003 0.000 1.244 635 P CA -0.138 62.955 63.100 -0.011 0.000 0.793 635 P CB 0.790 32.473 31.700 -0.029 0.000 0.984 636 K N -0.480 119.927 120.400 0.012 0.000 2.262 636 K HA 0.146 4.467 4.320 0.002 0.000 0.200 636 K C 0.681 177.275 176.600 -0.010 0.000 1.049 636 K CA 0.780 57.078 56.287 0.019 0.000 0.979 636 K CB -0.086 32.453 32.500 0.066 0.000 0.773 636 K HN 0.694 nan 8.250 nan 0.000 0.474 637 G N -0.169 108.609 108.800 -0.038 0.000 2.677 637 G HA2 0.481 4.442 3.960 0.002 0.000 0.291 637 G HA3 0.481 4.442 3.960 0.002 0.000 0.291 637 G C -1.894 172.957 174.900 -0.082 0.000 1.435 637 G CA -0.600 44.461 45.100 -0.065 0.000 0.826 637 G HN -0.057 nan 8.290 nan 0.000 0.491 638 V N 0.851 120.714 119.914 -0.085 0.000 2.686 638 V HA 0.486 4.607 4.120 0.002 0.000 0.306 638 V C -0.453 175.575 176.094 -0.110 0.000 1.065 638 V CA -0.580 61.665 62.300 -0.091 0.000 0.894 638 V CB 1.841 33.622 31.823 -0.070 0.000 1.004 638 V HN 0.679 nan 8.190 nan 0.000 0.424 639 I N 4.843 125.331 120.570 -0.137 0.000 2.312 639 I HA 0.316 4.487 4.170 0.002 0.000 0.290 639 I C 0.688 176.733 176.117 -0.120 0.000 1.008 639 I CA -0.362 60.830 61.300 -0.179 0.000 1.226 639 I CB 1.770 39.586 38.000 -0.306 0.000 1.371 639 I HN 0.593 nan 8.210 nan 0.000 0.468 640 V N 2.107 121.971 119.914 -0.083 0.000 3.276 640 V HA 0.218 4.339 4.120 0.002 0.000 0.319 640 V C 0.925 177.022 176.094 0.005 0.000 1.427 640 V CA 0.166 62.443 62.300 -0.037 0.000 1.102 640 V CB 0.146 31.947 31.823 -0.036 0.000 1.020 640 V HN 0.768 nan 8.190 nan 0.000 0.456 641 Q N -0.781 119.036 119.800 0.028 0.000 2.356 641 Q HA 0.319 4.660 4.340 0.002 0.000 0.205 641 Q C 1.181 177.418 176.000 0.396 0.000 0.901 641 Q CA 0.698 56.592 55.803 0.152 0.000 0.938 641 Q CB 0.113 28.939 28.738 0.147 0.000 1.081 641 Q HN 0.756 nan 8.270 nan 0.000 0.517 642 Y N -1.665 118.660 120.300 0.041 0.000 2.442 642 Y HA 0.376 4.927 4.550 0.002 0.000 0.250 642 Y C 1.860 177.835 175.900 0.126 0.000 1.113 642 Y CA -0.048 58.111 58.100 0.099 0.000 1.273 642 Y CB 0.219 38.725 38.460 0.077 0.000 1.138 642 Y HN 0.074 nan 8.280 nan 0.000 0.522 643 G N -0.404 108.503 108.800 0.179 0.000 3.233 643 G HA2 0.417 4.378 3.960 0.002 0.000 0.227 643 G HA3 0.417 4.378 3.960 0.002 0.000 0.227 643 G C 0.910 175.723 174.900 -0.144 0.000 1.175 643 G CA 0.473 45.614 45.100 0.068 0.000 0.781 643 G HN 0.564 nan 8.290 nan 0.000 0.542 644 G N -0.097 108.513 108.800 -0.318 0.000 2.615 644 G HA2 -0.263 3.698 3.960 0.002 0.000 0.218 644 G HA3 -0.263 3.698 3.960 0.002 0.000 0.218 644 G C 0.772 175.451 174.900 -0.368 0.000 1.339 644 G CA 0.173 44.823 45.100 -0.750 0.000 0.884 644 G HN 0.109 nan 8.290 nan 0.000 0.559 645 Q N -0.484 119.107 119.800 -0.349 0.000 2.096 645 Q HA -0.105 4.236 4.340 0.002 0.000 0.204 645 Q C 2.976 178.894 176.000 -0.136 0.000 0.982 645 Q CA 2.549 58.235 55.803 -0.195 0.000 0.850 645 Q CB -1.173 27.468 28.738 -0.162 0.000 0.901 645 Q HN 0.770 nan 8.270 nan 0.000 0.422 646 T N 1.985 116.457 114.554 -0.137 0.000 2.565 646 T HA -0.165 4.186 4.350 0.002 0.000 0.265 646 T C -1.020 173.638 174.700 -0.069 0.000 1.082 646 T CA 2.308 64.355 62.100 -0.089 0.000 1.173 646 T CB -1.250 67.570 68.868 -0.080 0.000 0.864 646 T HN 0.301 nan 8.240 nan 0.000 0.425 647 P HA 0.119 nan 4.420 nan 0.000 0.227 647 P C 1.573 178.847 177.300 -0.045 0.000 1.161 647 P CA 0.435 63.507 63.100 -0.047 0.000 0.788 647 P CB -0.151 31.529 31.700 -0.034 0.000 0.822 648 L N 0.392 121.581 121.223 -0.057 0.000 2.083 648 L HA -0.070 4.271 4.340 0.002 0.000 0.209 648 L C 2.258 179.102 176.870 -0.044 0.000 1.083 648 L CA 1.947 56.758 54.840 -0.049 0.000 0.752 648 L CB -0.996 41.024 42.059 -0.065 0.000 0.899 648 L HN -0.181 nan 8.230 nan 0.000 0.433 649 K N -1.018 119.352 120.400 -0.049 0.000 2.280 649 K HA -0.079 4.242 4.320 0.002 0.000 0.202 649 K C 1.809 178.391 176.600 -0.031 0.000 1.047 649 K CA 1.003 57.265 56.287 -0.040 0.000 0.942 649 K CB -0.085 32.389 32.500 -0.043 0.000 0.739 649 K HN 0.343 nan 8.250 nan 0.000 0.457 650 L N -0.442 120.763 121.223 -0.030 0.000 2.477 650 L HA 0.084 4.425 4.340 0.002 0.000 0.220 650 L C 2.339 179.195 176.870 -0.023 0.000 1.106 650 L CA 0.080 54.906 54.840 -0.024 0.000 0.851 650 L CB -0.430 41.615 42.059 -0.024 0.000 0.994 650 L HN 0.092 nan 8.230 nan 0.000 0.462 651 A N 0.821 123.626 122.820 -0.025 0.000 1.881 651 A HA -0.302 4.019 4.320 0.002 0.000 0.219 651 A C 2.487 180.060 177.584 -0.019 0.000 1.215 651 A CA 2.024 54.047 52.037 -0.023 0.000 0.648 651 A CB -0.633 18.354 19.000 -0.023 0.000 0.832 651 A HN 0.278 nan 8.150 nan 0.000 0.455 652 R N -0.861 119.629 120.500 -0.017 0.000 2.083 652 R HA -0.150 4.191 4.340 0.002 0.000 0.237 652 R C 2.505 178.798 176.300 -0.012 0.000 1.137 652 R CA 1.661 57.753 56.100 -0.013 0.000 0.951 652 R CB -0.741 29.551 30.300 -0.013 0.000 0.851 652 R HN 0.547 nan 8.270 nan 0.000 0.434 653 A N 0.934 123.746 122.820 -0.012 0.000 1.933 653 A HA -0.123 4.198 4.320 0.002 0.000 0.218 653 A C 2.360 179.938 177.584 -0.010 0.000 1.175 653 A CA 1.017 53.048 52.037 -0.009 0.000 0.628 653 A CB -0.510 18.485 19.000 -0.008 0.000 0.814 653 A HN 0.263 nan 8.150 nan 0.000 0.444 654 L N -0.974 120.241 121.223 -0.014 0.000 2.012 654 L HA -0.239 4.102 4.340 0.002 0.000 0.210 654 L C 2.686 179.546 176.870 -0.016 0.000 1.073 654 L CA 2.005 56.835 54.840 -0.016 0.000 0.748 654 L CB -0.481 41.564 42.059 -0.023 0.000 0.891 654 L HN 0.563 nan 8.230 nan 0.000 0.431 655 E N -0.017 120.174 120.200 -0.016 0.000 2.038 655 E HA -0.267 4.084 4.350 0.002 0.000 0.195 655 E C 2.220 178.814 176.600 -0.010 0.000 1.000 655 E CA 1.280 57.671 56.400 -0.014 0.000 0.803 655 E CB -0.100 29.592 29.700 -0.012 0.000 0.750 655 E HN 0.453 nan 8.360 nan 0.000 0.448 656 A N 0.876 123.691 122.820 -0.008 0.000 1.997 656 A HA -0.193 4.128 4.320 0.002 0.000 0.221 656 A C 2.196 179.777 177.584 -0.005 0.000 1.172 656 A CA 1.897 53.930 52.037 -0.006 0.000 0.645 656 A CB -0.683 18.314 19.000 -0.005 0.000 0.813 656 A HN 0.379 nan 8.150 nan 0.000 0.454 657 A N -1.844 120.973 122.820 -0.005 0.000 2.259 657 A HA 0.426 4.747 4.320 0.002 0.000 0.208 657 A C 1.672 179.252 177.584 -0.006 0.000 1.201 657 A CA 1.087 53.122 52.037 -0.003 0.000 0.824 657 A CB -1.088 17.911 19.000 -0.001 0.000 0.838 657 A HN 1.976 nan 8.150 nan 0.000 0.485 658 G N -1.232 107.563 108.800 -0.008 0.000 2.137 658 G HA2 -0.191 3.770 3.960 0.002 0.000 0.237 658 G HA3 -0.191 3.770 3.960 0.002 0.000 0.237 658 G C 0.132 175.023 174.900 -0.014 0.000 1.002 658 G CA 0.093 45.187 45.100 -0.009 0.000 0.702 658 G HN 0.759 nan 8.290 nan 0.000 0.515 659 V N 1.439 121.342 119.914 -0.017 0.000 2.686 659 V HA 0.387 4.508 4.120 0.002 0.000 0.295 659 V C -1.225 174.854 176.094 -0.024 0.000 1.055 659 V CA -0.926 61.360 62.300 -0.024 0.000 1.050 659 V CB 1.347 33.152 31.823 -0.029 0.000 0.984 659 V HN 0.195 nan 8.190 nan 0.000 0.482 660 P HA 0.190 nan 4.420 nan 0.000 0.238 660 P C -0.443 176.835 177.300 -0.036 0.000 1.794 660 P CA -0.154 62.931 63.100 -0.026 0.000 1.088 660 P CB 0.080 31.766 31.700 -0.024 0.000 1.923 661 V N 4.942 124.836 119.914 -0.034 0.000 2.479 661 V HA 0.083 4.204 4.120 0.002 0.000 0.281 661 V C 1.204 177.271 176.094 -0.044 0.000 1.031 661 V CA -0.225 62.050 62.300 -0.042 0.000 1.038 661 V CB -0.094 31.708 31.823 -0.035 0.000 0.981 661 V HN 0.339 nan 8.190 nan 0.000 0.478 662 I N 2.442 122.974 120.570 -0.064 0.000 2.793 662 I HA 1.005 5.176 4.170 0.002 0.000 0.313 662 I C 0.741 176.819 176.117 -0.066 0.000 0.998 662 I CA -0.080 61.181 61.300 -0.065 0.000 1.140 662 I CB 1.429 39.376 38.000 -0.088 0.000 1.327 662 I HN 0.854 nan 8.210 nan 0.000 0.491 663 G N 2.880 111.651 108.800 -0.048 0.000 2.593 663 G HA2 -0.193 3.768 3.960 0.002 0.000 0.237 663 G HA3 -0.193 3.768 3.960 0.002 0.000 0.237 663 G C -0.117 174.776 174.900 -0.011 0.000 1.312 663 G CA -0.284 44.797 45.100 -0.031 0.000 0.896 663 G HN 0.968 nan 8.290 nan 0.000 0.574 664 T N 1.258 115.814 114.554 0.004 0.000 2.849 664 T HA 0.386 4.737 4.350 0.002 0.000 0.289 664 T C 1.325 176.027 174.700 0.004 0.000 1.010 664 T CA 0.990 63.097 62.100 0.012 0.000 1.161 664 T CB 0.301 69.182 68.868 0.022 0.000 0.989 664 T HN 1.859 nan 8.240 nan 0.000 0.523 665 S N 4.510 120.214 115.700 0.007 0.000 2.562 665 S HA 0.137 4.608 4.470 0.002 0.000 0.281 665 S C -1.546 173.054 174.600 0.001 0.000 1.333 665 S CA -1.269 56.933 58.200 0.003 0.000 1.052 665 S CB 0.838 64.043 63.200 0.008 0.000 0.884 665 S HN 0.336 nan 8.310 nan 0.000 0.506 666 P HA -0.118 nan 4.420 nan 0.000 0.216 666 P C 0.952 178.249 177.300 -0.004 0.000 1.150 666 P CA 1.624 64.720 63.100 -0.007 0.000 0.843 666 P CB -0.088 31.606 31.700 -0.010 0.000 0.787 667 D N -0.576 119.824 120.400 0.000 0.000 2.117 667 D HA -0.125 4.516 4.640 0.002 0.000 0.198 667 D C 1.967 178.273 176.300 0.010 0.000 0.982 667 D CA 1.303 55.305 54.000 0.004 0.000 0.828 667 D CB -0.553 40.250 40.800 0.006 0.000 0.967 667 D HN -0.041 nan 8.370 nan 0.000 0.464 668 A N 0.473 123.302 122.820 0.014 0.000 1.883 668 A HA -0.171 4.150 4.320 0.002 0.000 0.217 668 A C 2.392 179.987 177.584 0.017 0.000 1.186 668 A CA 1.482 53.533 52.037 0.023 0.000 0.624 668 A CB -0.988 18.027 19.000 0.025 0.000 0.822 668 A HN 0.419 nan 8.150 nan 0.000 0.444 669 I N -0.438 120.136 120.570 0.006 0.000 2.194 669 I HA -0.296 3.875 4.170 0.002 0.000 0.246 669 I C 2.309 178.419 176.117 -0.012 0.000 1.093 669 I CA 2.089 63.385 61.300 -0.005 0.000 1.355 669 I CB -0.527 37.468 38.000 -0.009 0.000 1.046 669 I HN 0.412 nan 8.210 nan 0.000 0.413 670 D N 0.687 121.083 120.400 -0.007 0.000 2.117 670 D HA -0.180 4.461 4.640 0.002 0.000 0.197 670 D C 2.387 178.689 176.300 0.003 0.000 0.987 670 D CA 1.141 55.136 54.000 -0.008 0.000 0.829 670 D CB 0.033 40.828 40.800 -0.008 0.000 0.961 670 D HN 0.048 nan 8.370 nan 0.000 0.460 671 R N -0.311 120.201 120.500 0.020 0.000 2.105 671 R HA -0.105 4.236 4.340 0.002 0.000 0.239 671 R C 2.091 178.446 176.300 0.092 0.000 1.135 671 R CA 1.250 57.380 56.100 0.051 0.000 0.967 671 R CB -0.262 30.076 30.300 0.064 0.000 0.861 671 R HN 0.236 nan 8.270 nan 0.000 0.442 672 A N 0.653 123.498 122.820 0.042 0.000 1.970 672 A HA -0.072 4.249 4.320 0.002 0.000 0.216 672 A C 1.799 179.284 177.584 -0.165 0.000 1.170 672 A CA 0.818 52.832 52.037 -0.038 0.000 0.645 672 A CB 0.003 18.965 19.000 -0.062 0.000 0.816 672 A HN 0.188 nan 8.150 nan 0.000 0.447 673 E N 0.314 120.460 120.200 -0.089 0.000 2.122 673 E HA -0.082 4.269 4.350 0.002 0.000 0.190 673 E C -0.150 176.417 176.600 -0.055 0.000 0.977 673 E CA 0.419 56.762 56.400 -0.095 0.000 0.820 673 E CB -0.343 29.316 29.700 -0.068 0.000 0.770 673 E HN 0.656 nan 8.360 nan 0.000 0.462 674 D N 1.612 122.005 120.400 -0.011 0.000 2.344 674 D HA -0.016 4.625 4.640 0.002 0.000 0.253 674 D C 1.427 177.768 176.300 0.067 0.000 1.255 674 D CA -0.186 53.822 54.000 0.013 0.000 0.894 674 D CB 0.544 41.345 40.800 0.002 0.000 1.067 674 D HN -0.088 nan 8.370 nan 0.000 0.492 675 R N 3.493 124.034 120.500 0.069 0.000 2.196 675 R HA -0.293 4.048 4.340 0.002 0.000 0.259 675 R C 1.321 177.721 176.300 0.168 0.000 1.154 675 R CA 1.501 57.682 56.100 0.136 0.000 0.976 675 R CB -0.745 29.607 30.300 0.086 0.000 0.888 675 R HN 0.590 nan 8.270 nan 0.000 0.453 676 E N 0.430 120.682 120.200 0.086 0.000 2.016 676 E HA -0.050 4.301 4.350 0.002 0.000 0.190 676 E C 2.307 178.882 176.600 -0.041 0.000 0.985 676 E CA 0.491 56.914 56.400 0.037 0.000 0.802 676 E CB 0.028 29.713 29.700 -0.025 0.000 0.762 676 E HN 0.277 nan 8.360 nan 0.000 0.448 677 R N -0.025 120.437 120.500 -0.064 0.000 2.139 677 R HA -0.187 4.154 4.340 0.002 0.000 0.243 677 R C 2.272 178.622 176.300 0.084 0.000 1.145 677 R CA 1.127 57.182 56.100 -0.074 0.000 0.976 677 R CB -0.532 29.759 30.300 -0.015 0.000 0.866 677 R HN 0.246 nan 8.270 nan 0.000 0.449 678 F N 1.950 121.899 119.950 -0.003 0.000 2.149 678 F HA -0.107 4.421 4.527 0.001 0.000 0.294 678 F C 2.689 178.534 175.800 0.075 0.000 1.095 678 F CA 1.240 59.257 58.000 0.028 0.000 1.276 678 F CB -0.424 38.581 39.000 0.008 0.000 1.023 678 F HN -0.070 nan 8.300 nan 0.000 0.480 679 Q N -0.553 119.287 119.800 0.067 0.000 2.173 679 Q HA -0.296 4.044 4.340 0.002 0.000 0.208 679 Q C 2.030 178.040 176.000 0.018 0.000 0.989 679 Q CA 2.251 58.048 55.803 -0.009 0.000 0.872 679 Q CB -0.328 28.474 28.738 0.106 0.000 0.909 679 Q HN 0.546 nan 8.270 nan 0.000 0.420 680 H N -0.756 118.261 119.070 -0.089 0.000 2.389 680 H HA 0.017 4.573 4.556 0.002 0.000 0.299 680 H C 1.807 177.083 175.328 -0.086 0.000 1.081 680 H CA 1.406 57.415 56.048 -0.066 0.000 1.345 680 H CB -0.318 29.430 29.762 -0.023 0.000 1.393 680 H HN 0.400 nan 8.280 nan 0.000 0.520 681 A N 0.285 123.127 122.820 0.038 0.000 1.930 681 A HA -0.085 4.236 4.320 0.002 0.000 0.217 681 A C 2.593 180.112 177.584 -0.107 0.000 1.175 681 A CA 1.342 53.369 52.037 -0.017 0.000 0.627 681 A CB -0.745 18.270 19.000 0.024 0.000 0.815 681 A HN 0.230 nan 8.150 nan 0.000 0.443 682 V N 0.007 119.764 119.914 -0.261 0.000 2.255 682 V HA -0.295 3.826 4.120 0.002 0.000 0.247 682 V C 2.472 178.474 176.094 -0.153 0.000 1.051 682 V CA 2.373 64.501 62.300 -0.287 0.000 1.018 682 V CB -0.800 30.736 31.823 -0.478 0.000 0.641 682 V HN 0.644 nan 8.190 nan 0.000 0.445 683 E N -0.218 119.896 120.200 -0.142 0.000 2.038 683 E HA -0.303 4.048 4.350 0.002 0.000 0.195 683 E C 2.447 178.999 176.600 -0.080 0.000 1.000 683 E CA 1.724 58.057 56.400 -0.111 0.000 0.803 683 E CB -0.189 29.426 29.700 -0.142 0.000 0.750 683 E HN 0.420 nan 8.360 nan 0.000 0.448 684 R N 0.500 120.962 120.500 -0.063 0.000 2.127 684 R HA -0.119 4.222 4.340 0.002 0.000 0.238 684 R C 2.029 178.314 176.300 -0.025 0.000 1.134 684 R CA 1.006 57.086 56.100 -0.033 0.000 0.975 684 R CB -0.047 30.250 30.300 -0.006 0.000 0.865 684 R HN 0.189 nan 8.270 nan 0.000 0.447 685 L N 0.164 121.368 121.223 -0.032 0.000 2.558 685 L HA 0.116 4.457 4.340 0.002 0.000 0.225 685 L C 0.251 177.107 176.870 -0.023 0.000 1.128 685 L CA 0.298 55.129 54.840 -0.016 0.000 0.868 685 L CB -0.003 42.050 42.059 -0.010 0.000 1.006 685 L HN 0.162 nan 8.230 nan 0.000 0.454 686 K N 0.857 121.232 120.400 -0.041 0.000 3.162 686 K HA -0.151 4.170 4.320 0.002 0.000 0.268 686 K C -0.579 175.993 176.600 -0.047 0.000 1.062 686 K CA 0.369 56.629 56.287 -0.045 0.000 0.769 686 K CB -1.527 30.951 32.500 -0.036 0.000 1.274 686 K HN 0.242 nan 8.250 nan 0.000 0.478 687 L N 0.210 121.400 121.223 -0.055 0.000 2.352 687 L HA 0.394 4.735 4.340 0.002 0.000 0.269 687 L C 0.758 177.588 176.870 -0.066 0.000 1.034 687 L CA -1.028 53.783 54.840 -0.048 0.000 0.806 687 L CB 1.267 43.311 42.059 -0.026 0.000 1.244 687 L HN 0.014 nan 8.230 nan 0.000 0.447 688 K N 2.098 122.454 120.400 -0.073 0.000 2.249 688 K HA 0.326 4.647 4.320 0.002 0.000 0.280 688 K C -0.824 175.774 176.600 -0.003 0.000 1.033 688 K CA -0.191 56.036 56.287 -0.099 0.000 0.946 688 K CB 1.476 33.799 32.500 -0.295 0.000 1.005 688 K HN 0.519 nan 8.250 nan 0.000 0.469 689 Q N 3.237 123.069 119.800 0.053 0.000 2.340 689 Q HA 0.335 4.676 4.340 0.002 0.000 0.276 689 Q C -2.612 173.494 176.000 0.178 0.000 1.048 689 Q CA -1.904 53.970 55.803 0.118 0.000 0.832 689 Q CB 2.081 30.830 28.738 0.018 0.000 1.373 689 Q HN 0.286 nan 8.270 nan 0.000 0.409 690 P HA 0.067 nan 4.420 nan 0.000 0.266 690 P C -1.094 176.275 177.300 0.115 0.000 1.195 690 P CA 0.041 63.241 63.100 0.167 0.000 0.768 690 P CB 0.469 32.227 31.700 0.097 0.000 0.838 691 A N 3.559 126.439 122.820 0.100 0.000 2.540 691 A HA 0.275 4.596 4.320 0.002 0.000 0.239 691 A C 0.449 178.064 177.584 0.052 0.000 1.061 691 A CA 0.186 52.254 52.037 0.050 0.000 0.758 691 A CB -0.886 18.116 19.000 0.004 0.000 0.991 691 A HN 0.780 nan 8.150 nan 0.000 0.502 692 N N -0.058 118.663 118.700 0.036 0.000 2.416 692 N HA 0.789 5.530 4.740 0.002 0.000 0.276 692 N C -0.902 174.623 175.510 0.025 0.000 1.261 692 N CA -0.204 52.867 53.050 0.034 0.000 0.790 692 N CB 2.024 40.541 38.487 0.050 0.000 1.554 692 N HN 0.854 nan 8.380 nan 0.000 0.481 693 A N -0.172 122.663 122.820 0.025 0.000 2.539 693 A HA 0.775 5.096 4.320 0.002 0.000 0.296 693 A C -1.281 176.325 177.584 0.038 0.000 1.073 693 A CA -0.707 51.346 52.037 0.027 0.000 0.700 693 A CB 1.630 20.641 19.000 0.018 0.000 1.296 693 A HN 0.582 nan 8.150 nan 0.000 0.405 694 T N 1.724 116.303 114.554 0.042 0.000 2.893 694 T HA 0.487 4.837 4.350 0.002 0.000 0.324 694 T C -0.517 174.215 174.700 0.053 0.000 1.082 694 T CA -0.157 61.974 62.100 0.050 0.000 0.983 694 T CB 0.451 69.348 68.868 0.048 0.000 1.005 694 T HN 0.501 nan 8.240 nan 0.000 0.475 695 V N 3.644 123.602 119.914 0.073 0.000 2.539 695 V HA 0.305 4.426 4.120 0.002 0.000 0.292 695 V C 1.238 177.382 176.094 0.083 0.000 1.045 695 V CA -0.283 62.064 62.300 0.078 0.000 0.945 695 V CB 1.638 33.524 31.823 0.106 0.000 0.993 695 V HN 0.912 nan 8.190 nan 0.000 0.464 696 T N 1.939 116.521 114.554 0.047 0.000 3.044 696 T HA 0.345 4.696 4.350 0.002 0.000 0.237 696 T C 0.584 175.290 174.700 0.010 0.000 1.001 696 T CA 0.750 62.871 62.100 0.035 0.000 1.160 696 T CB 0.301 69.179 68.868 0.016 0.000 0.889 696 T HN 0.775 nan 8.240 nan 0.000 0.442 697 A N 0.161 122.959 122.820 -0.037 0.000 2.330 697 A HA 0.692 5.013 4.320 0.002 0.000 0.329 697 A C 0.817 178.254 177.584 -0.246 0.000 1.135 697 A CA -0.673 51.297 52.037 -0.111 0.000 0.817 697 A CB 0.541 19.491 19.000 -0.084 0.000 1.269 697 A HN 0.103 nan 8.150 nan 0.000 0.469 698 I N 0.913 121.234 120.570 -0.416 0.000 2.044 698 I HA -0.269 3.902 4.170 0.002 0.000 0.234 698 I C 2.284 178.168 176.117 -0.388 0.000 1.031 698 I CA 2.008 62.877 61.300 -0.718 0.000 1.305 698 I CB -0.599 37.083 38.000 -0.530 0.000 1.026 698 I HN 0.745 nan 8.210 nan 0.000 0.392 699 E N -0.126 119.948 120.200 -0.210 0.000 2.219 699 E HA -0.286 4.065 4.350 0.002 0.000 0.198 699 E C 2.194 178.757 176.600 -0.061 0.000 0.998 699 E CA 1.355 57.695 56.400 -0.099 0.000 0.818 699 E CB -0.580 29.080 29.700 -0.066 0.000 0.741 699 E HN 0.566 nan 8.360 nan 0.000 0.477 700 M N 0.319 119.873 119.600 -0.075 0.000 2.132 700 M HA -0.124 4.357 4.480 0.002 0.000 0.263 700 M C 2.235 178.532 176.300 -0.004 0.000 1.065 700 M CA 1.594 56.875 55.300 -0.033 0.000 1.122 700 M CB -0.031 32.550 32.600 -0.032 0.000 1.365 700 M HN 0.130 nan 8.290 nan 0.000 0.411 701 A N -0.648 122.164 122.820 -0.012 0.000 1.873 701 A HA -0.093 4.228 4.320 0.002 0.000 0.215 701 A C 1.917 179.561 177.584 0.101 0.000 1.186 701 A CA 1.640 53.726 52.037 0.081 0.000 0.616 701 A CB -1.009 18.088 19.000 0.161 0.000 0.823 701 A HN 0.381 nan 8.150 nan 0.000 0.442 702 V N 0.131 120.095 119.914 0.084 0.000 2.720 702 V HA -0.199 3.922 4.120 0.002 0.000 0.256 702 V C 2.372 178.530 176.094 0.106 0.000 1.082 702 V CA 2.291 64.669 62.300 0.130 0.000 1.101 702 V CB -0.805 31.078 31.823 0.101 0.000 0.693 702 V HN 0.719 nan 8.190 nan 0.000 0.479 703 E N 0.941 121.176 120.200 0.058 0.000 2.057 703 E HA -0.103 4.248 4.350 0.002 0.000 0.190 703 E C 2.092 178.713 176.600 0.035 0.000 0.969 703 E CA 0.921 57.348 56.400 0.044 0.000 0.812 703 E CB -0.224 29.490 29.700 0.024 0.000 0.777 703 E HN 0.275 nan 8.360 nan 0.000 0.455 704 K N 0.469 120.884 120.400 0.025 0.000 2.103 704 K HA 0.002 4.323 4.320 0.002 0.000 0.207 704 K C 1.865 178.455 176.600 -0.016 0.000 1.048 704 K CA 1.364 57.657 56.287 0.009 0.000 0.930 704 K CB -0.707 31.804 32.500 0.018 0.000 0.716 704 K HN 0.247 nan 8.250 nan 0.000 0.444 705 A N 0.466 123.273 122.820 -0.022 0.000 1.902 705 A HA -0.217 4.104 4.320 0.002 0.000 0.217 705 A C 1.996 179.496 177.584 -0.141 0.000 1.181 705 A CA 1.949 53.896 52.037 -0.150 0.000 0.623 705 A CB -0.432 18.476 19.000 -0.154 0.000 0.818 705 A HN 0.258 nan 8.150 nan 0.000 0.443 706 K N -0.285 120.137 120.400 0.035 0.000 2.063 706 K HA -0.171 4.150 4.320 0.002 0.000 0.208 706 K C 2.065 178.682 176.600 0.028 0.000 1.048 706 K CA 1.737 58.084 56.287 0.100 0.000 0.928 706 K CB -0.150 32.412 32.500 0.103 0.000 0.713 706 K HN 0.665 nan 8.250 nan 0.000 0.442 707 E N 0.213 120.412 120.200 -0.002 0.000 2.012 707 E HA -0.209 4.142 4.350 0.002 0.000 0.197 707 E C 2.014 178.584 176.600 -0.049 0.000 1.007 707 E CA 1.530 57.919 56.400 -0.018 0.000 0.816 707 E CB -0.093 29.598 29.700 -0.015 0.000 0.762 707 E HN 0.197 nan 8.360 nan 0.000 0.451 708 I N -0.047 120.480 120.570 -0.071 0.000 2.179 708 I HA -0.133 4.038 4.170 0.002 0.000 0.242 708 I C 1.063 177.087 176.117 -0.154 0.000 1.088 708 I CA 1.116 62.360 61.300 -0.095 0.000 1.357 708 I CB -0.183 37.769 38.000 -0.080 0.000 1.051 708 I HN 0.308 nan 8.210 nan 0.000 0.409 709 G N -0.950 107.762 108.800 -0.147 0.000 2.788 709 G HA2 -0.201 3.760 3.960 0.002 0.000 0.686 709 G HA3 -0.201 3.760 3.960 0.002 0.000 0.686 709 G C -0.783 174.109 174.900 -0.014 0.000 1.147 709 G CA -0.978 44.075 45.100 -0.078 0.000 0.755 709 G HN 0.048 nan 8.290 nan 0.000 0.634 710 Y N 1.867 122.249 120.300 0.137 0.000 2.326 710 Y HA 0.506 5.057 4.550 0.002 0.000 0.333 710 Y C -0.926 175.099 175.900 0.209 0.000 1.240 710 Y CA -1.093 57.086 58.100 0.131 0.000 1.365 710 Y CB 0.593 39.105 38.460 0.087 0.000 1.289 710 Y HN 0.525 nan 8.280 nan 0.000 0.548 711 P HA 0.297 nan 4.420 nan 0.000 0.276 711 P C -1.325 175.908 177.300 -0.112 0.000 1.252 711 P CA -0.373 62.698 63.100 -0.048 0.000 0.802 711 P CB 1.051 32.452 31.700 -0.498 0.000 1.035 712 L N 0.588 121.689 121.223 -0.203 0.000 2.386 712 L HA 0.322 4.663 4.340 0.002 0.000 0.271 712 L C -0.545 176.182 176.870 -0.239 0.000 0.993 712 L CA -0.696 54.025 54.840 -0.198 0.000 0.819 712 L CB 2.343 44.255 42.059 -0.245 0.000 1.294 712 L HN 0.015 nan 8.230 nan 0.000 0.414 713 V N 4.858 124.674 119.914 -0.162 0.000 2.221 713 V HA 0.147 4.268 4.120 0.002 0.000 0.258 713 V C -0.150 175.844 176.094 -0.166 0.000 1.179 713 V CA -0.664 61.539 62.300 -0.162 0.000 1.022 713 V CB 0.828 32.623 31.823 -0.047 0.000 1.228 713 V HN 0.455 nan 8.190 nan 0.000 0.487 714 V N 5.023 124.775 119.914 -0.270 0.000 2.359 714 V HA 0.202 4.323 4.120 0.002 0.000 0.248 714 V C 0.799 176.774 176.094 -0.198 0.000 1.091 714 V CA -0.066 62.053 62.300 -0.302 0.000 1.103 714 V CB -0.939 30.509 31.823 -0.626 0.000 1.176 714 V HN 0.688 nan 8.190 nan 0.000 0.488 715 R N 5.100 125.544 120.500 -0.092 0.000 2.215 715 R HA 0.463 4.804 4.340 0.002 0.000 0.337 715 R C -1.593 174.705 176.300 -0.004 0.000 1.010 715 R CA -0.973 55.104 56.100 -0.040 0.000 0.871 715 R CB 1.503 31.792 30.300 -0.018 0.000 1.134 715 R HN 0.598 nan 8.270 nan 0.000 0.477 725 M N 0.975 120.566 119.600 -0.017 0.000 2.470 725 M HA 0.556 5.037 4.480 0.002 0.000 0.285 725 M C -0.880 175.373 176.300 -0.078 0.000 1.213 725 M CA -0.195 55.075 55.300 -0.049 0.000 0.901 725 M CB 2.721 35.302 32.600 -0.031 0.000 1.718 725 M HN 0.960 nan 8.290 nan 0.000 0.469 726 E N 2.276 122.371 120.200 -0.175 0.000 2.408 726 E HA 0.639 4.990 4.350 0.002 0.000 0.275 726 E C -1.871 174.549 176.600 -0.301 0.000 0.935 726 E CA -0.647 55.627 56.400 -0.211 0.000 0.775 726 E CB 2.319 31.927 29.700 -0.155 0.000 1.277 726 E HN 0.682 nan 8.360 nan 0.000 0.455 727 I N 3.323 123.728 120.570 -0.274 0.000 2.382 727 I HA 0.291 4.462 4.170 0.002 0.000 0.285 727 I C -0.681 175.275 176.117 -0.269 0.000 1.007 727 I CA -0.987 60.083 61.300 -0.383 0.000 1.142 727 I CB 1.512 39.151 38.000 -0.602 0.000 1.289 727 I HN 0.280 nan 8.210 nan 0.000 0.453 728 V N 6.502 126.255 119.914 -0.268 0.000 2.567 728 V HA 0.164 4.285 4.120 0.002 0.000 0.289 728 V C 0.076 176.153 176.094 -0.028 0.000 1.049 728 V CA -0.080 62.184 62.300 -0.060 0.000 0.969 728 V CB 1.429 33.225 31.823 -0.046 0.000 0.995 728 V HN 0.580 nan 8.190 nan 0.000 0.471 729 Y N 0.886 121.244 120.300 0.096 0.000 2.522 729 Y HA 0.192 4.743 4.550 0.002 0.000 0.277 729 Y C 0.883 176.813 175.900 0.050 0.000 1.104 729 Y CA -0.048 58.128 58.100 0.127 0.000 1.260 729 Y CB 0.522 39.002 38.460 0.033 0.000 1.151 729 Y HN 0.825 nan 8.280 nan 0.000 0.539 730 D N -1.525 118.860 120.400 -0.024 0.000 2.579 730 D HA 0.078 4.719 4.640 0.002 0.000 0.257 730 D C 0.642 176.681 176.300 -0.435 0.000 1.176 730 D CA -0.531 53.118 54.000 -0.584 0.000 0.914 730 D CB 0.953 41.572 40.800 -0.302 0.000 1.431 730 D HN 0.054 nan 8.370 nan 0.000 0.454 731 E N 0.272 120.150 120.200 -0.536 0.000 2.068 731 E HA -0.323 4.028 4.350 0.002 0.000 0.207 731 E C 1.903 178.531 176.600 0.048 0.000 1.032 731 E CA 2.184 58.543 56.400 -0.068 0.000 0.839 731 E CB -0.302 29.368 29.700 -0.049 0.000 0.758 731 E HN 0.558 nan 8.360 nan 0.000 0.457 732 A N 0.796 123.613 122.820 -0.004 0.000 1.948 732 A HA -0.260 4.061 4.320 0.002 0.000 0.220 732 A C 1.802 179.430 177.584 0.074 0.000 1.177 732 A CA 2.188 54.245 52.037 0.033 0.000 0.636 732 A CB -0.627 18.375 19.000 0.004 0.000 0.815 732 A HN 0.311 nan 8.150 nan 0.000 0.449 733 D N -1.011 119.433 120.400 0.072 0.000 2.144 733 D HA -0.092 4.549 4.640 0.002 0.000 0.200 733 D C 1.779 178.186 176.300 0.178 0.000 0.978 733 D CA 0.736 54.806 54.000 0.116 0.000 0.833 733 D CB -0.137 40.741 40.800 0.130 0.000 0.961 733 D HN 0.265 nan 8.370 nan 0.000 0.470 734 L N 1.427 122.790 121.223 0.234 0.000 1.970 734 L HA -0.161 4.180 4.340 0.002 0.000 0.212 734 L C 2.003 179.138 176.870 0.442 0.000 1.071 734 L CA 1.770 56.809 54.840 0.332 0.000 0.751 734 L CB -0.730 41.590 42.059 0.434 0.000 0.889 734 L HN 0.018 nan 8.230 nan 0.000 0.432 735 R N -0.869 119.843 120.500 0.352 0.000 2.097 735 R HA -0.216 4.124 4.340 0.002 0.000 0.236 735 R C 2.301 178.766 176.300 0.274 0.000 1.135 735 R CA 1.482 57.775 56.100 0.322 0.000 0.934 735 R CB -0.915 29.488 30.300 0.171 0.000 0.846 735 R HN 0.350 nan 8.270 nan 0.000 0.431 736 R N 0.507 121.118 120.500 0.185 0.000 2.159 736 R HA -0.278 4.063 4.340 0.002 0.000 0.249 736 R C 2.298 178.675 176.300 0.128 0.000 1.136 736 R CA 2.380 58.556 56.100 0.128 0.000 0.951 736 R CB -0.637 29.728 30.300 0.108 0.000 0.876 736 R HN 0.395 nan 8.270 nan 0.000 0.440 737 Y N 0.022 120.335 120.300 0.021 0.000 2.114 737 Y HA -0.277 4.274 4.550 0.001 0.000 0.284 737 Y C 2.067 177.926 175.900 -0.068 0.000 1.143 737 Y CA 2.012 60.067 58.100 -0.076 0.000 1.135 737 Y CB -0.632 37.697 38.460 -0.219 0.000 0.980 737 Y HN 0.006 nan 8.280 nan 0.000 0.499 738 F N 1.268 121.249 119.950 0.053 0.000 2.115 738 F HA -0.364 4.164 4.527 0.001 0.000 0.300 738 F C 2.746 178.454 175.800 -0.154 0.000 1.092 738 F CA 2.225 60.190 58.000 -0.058 0.000 1.245 738 F CB -1.088 37.959 39.000 0.079 0.000 0.995 738 F HN 0.281 nan 8.300 nan 0.000 0.481 739 Q N 0.156 120.004 119.800 0.081 0.000 1.975 739 Q HA -0.255 4.086 4.340 0.002 0.000 0.205 739 Q C 2.346 178.303 176.000 -0.072 0.000 0.990 739 Q CA 3.132 58.944 55.803 0.015 0.000 0.845 739 Q CB -0.488 28.262 28.738 0.020 0.000 0.913 739 Q HN 0.487 nan 8.270 nan 0.000 0.420 740 T N -0.829 113.642 114.554 -0.138 0.000 2.720 740 T HA 0.010 4.361 4.350 0.002 0.000 0.268 740 T C 1.078 175.618 174.700 -0.268 0.000 1.037 740 T CA 0.673 62.669 62.100 -0.174 0.000 1.144 740 T CB -0.852 67.921 68.868 -0.159 0.000 0.864 740 T HN 0.520 nan 8.240 nan 0.000 0.444 751 L N 5.598 126.848 121.223 0.045 0.000 2.313 751 L HA 0.500 4.841 4.340 0.002 0.000 0.282 751 L C -0.381 176.497 176.870 0.012 0.000 1.092 751 L CA 0.111 54.971 54.840 0.033 0.000 0.831 751 L CB 0.771 42.848 42.059 0.030 0.000 1.159 751 L HN 0.402 nan 8.230 nan 0.000 0.442 752 L N 3.824 125.057 121.223 0.016 0.000 2.313 752 L HA 0.506 4.847 4.340 0.002 0.000 0.283 752 L C -0.738 176.128 176.870 -0.006 0.000 1.013 752 L CA -0.005 54.828 54.840 -0.011 0.000 0.816 752 L CB 1.487 43.547 42.059 0.001 0.000 1.236 752 L HN 0.526 nan 8.230 nan 0.000 0.419 753 D N -0.047 120.341 120.400 -0.020 0.000 2.819 753 D HA 0.271 4.912 4.640 0.002 0.000 0.232 753 D C -0.968 175.344 176.300 0.021 0.000 1.160 753 D CA -0.499 53.510 54.000 0.015 0.000 0.858 753 D CB 1.279 42.095 40.800 0.026 0.000 1.610 753 D HN 0.413 nan 8.370 nan 0.000 0.481 754 H N 1.455 120.497 119.070 -0.046 0.000 2.886 754 H HA 0.213 4.769 4.556 0.001 0.000 0.329 754 H C -0.988 174.327 175.328 -0.021 0.000 1.044 754 H CA -0.104 55.910 56.048 -0.057 0.000 1.456 754 H CB 0.197 29.916 29.762 -0.071 0.000 1.464 754 H HN 0.239 nan 8.280 nan 0.000 0.573 755 F N 6.126 125.658 119.950 -0.697 0.000 2.420 755 F HA 0.258 4.786 4.527 0.001 0.000 0.352 755 F C -0.893 174.459 175.800 -0.746 0.000 1.108 755 F CA -0.959 56.701 58.000 -0.566 0.000 1.162 755 F CB 0.368 39.097 39.000 -0.451 0.000 1.118 755 F HN 0.514 nan 8.300 nan 0.000 0.510 756 L N 7.081 127.601 121.223 -1.171 0.000 2.334 756 L HA 0.205 4.546 4.340 0.002 0.000 0.286 756 L C -0.332 175.788 176.870 -1.251 0.000 1.108 756 L CA -0.949 53.300 54.840 -0.985 0.000 0.875 756 L CB -0.247 41.380 42.059 -0.720 0.000 1.246 756 L HN 0.589 nan 8.230 nan 0.000 0.439 757 D N 1.740 121.609 120.400 -0.885 0.000 2.361 757 D HA -0.039 4.602 4.640 0.002 0.000 0.239 757 D C 0.224 176.363 176.300 -0.269 0.000 1.200 757 D CA -0.557 53.165 54.000 -0.463 0.000 0.915 757 D CB 0.435 41.216 40.800 -0.032 0.000 1.170 757 D HN 0.418 nan 8.370 nan 0.000 0.444 758 D N -0.977 119.364 120.400 -0.098 0.000 2.779 758 D HA -0.119 4.522 4.640 0.002 0.000 0.223 758 D C -0.489 175.750 176.300 -0.101 0.000 1.227 758 D CA 1.071 55.038 54.000 -0.055 0.000 0.653 758 D CB -1.127 39.663 40.800 -0.015 0.000 0.973 758 D HN 0.610 nan 8.370 nan 0.000 0.402 759 A N -0.167 122.570 122.820 -0.139 0.000 2.380 759 A HA 0.636 4.957 4.320 0.002 0.000 0.315 759 A C -0.046 177.492 177.584 -0.076 0.000 1.101 759 A CA -0.650 51.306 52.037 -0.135 0.000 0.771 759 A CB 2.042 20.908 19.000 -0.223 0.000 1.287 759 A HN 0.060 nan 8.150 nan 0.000 0.436 760 V N 1.749 121.627 119.914 -0.061 0.000 2.465 760 V HA 0.267 4.388 4.120 0.002 0.000 0.279 760 V C 0.419 176.474 176.094 -0.066 0.000 1.045 760 V CA -0.266 62.008 62.300 -0.044 0.000 0.938 760 V CB 1.202 32.990 31.823 -0.057 0.000 0.986 760 V HN 0.950 nan 8.190 nan 0.000 0.467 761 E N 3.361 123.497 120.200 -0.106 0.000 2.216 761 E HA 0.633 4.983 4.350 0.002 0.000 0.279 761 E C -1.511 174.771 176.600 -0.530 0.000 0.997 761 E CA -0.379 55.845 56.400 -0.293 0.000 0.817 761 E CB 1.828 31.362 29.700 -0.277 0.000 1.096 761 E HN 0.483 nan 8.360 nan 0.000 0.393 762 V N 3.825 123.532 119.914 -0.344 0.000 2.841 762 V HA 0.310 4.431 4.120 0.002 0.000 0.310 762 V C -0.738 175.360 176.094 0.006 0.000 1.090 762 V CA -0.931 61.281 62.300 -0.147 0.000 0.930 762 V CB 2.243 34.090 31.823 0.041 0.000 1.014 762 V HN 0.723 nan 8.190 nan 0.000 0.425 763 D N 1.683 122.149 120.400 0.110 0.000 2.362 763 D HA 0.658 5.299 4.640 0.002 0.000 0.247 763 D C -1.323 175.092 176.300 0.191 0.000 1.050 763 D CA -0.100 54.004 54.000 0.173 0.000 0.839 763 D CB 2.620 43.557 40.800 0.229 0.000 1.283 763 D HN 0.289 nan 8.370 nan 0.000 0.477 764 V N 3.052 123.074 119.914 0.181 0.000 2.447 764 V HA 0.215 4.336 4.120 0.002 0.000 0.292 764 V C -0.541 175.620 176.094 0.112 0.000 1.021 764 V CA -0.921 61.483 62.300 0.172 0.000 0.850 764 V CB 1.953 33.932 31.823 0.259 0.000 1.005 764 V HN 0.385 nan 8.190 nan 0.000 0.426 765 D N 3.880 124.334 120.400 0.090 0.000 2.198 765 D HA 0.804 5.445 4.640 0.002 0.000 0.245 765 D C 0.007 176.333 176.300 0.044 0.000 1.079 765 D CA 0.263 54.299 54.000 0.059 0.000 0.854 765 D CB 2.331 43.163 40.800 0.052 0.000 1.148 765 D HN 0.798 nan 8.370 nan 0.000 0.456 766 A N 2.258 125.097 122.820 0.030 0.000 2.609 766 A HA 0.751 5.072 4.320 0.002 0.000 0.291 766 A C -1.199 176.389 177.584 0.007 0.000 1.096 766 A CA -0.630 51.415 52.037 0.014 0.000 0.684 766 A CB 1.212 20.213 19.000 0.003 0.000 1.282 766 A HN 0.490 nan 8.150 nan 0.000 0.412 767 I N 0.117 120.685 120.570 -0.003 0.000 2.545 767 I HA 0.510 4.681 4.170 0.002 0.000 0.292 767 I C -0.723 175.375 176.117 -0.031 0.000 1.040 767 I CA -0.547 60.755 61.300 0.003 0.000 1.068 767 I CB 1.979 39.994 38.000 0.026 0.000 1.251 767 I HN 0.671 nan 8.210 nan 0.000 0.424 768 C N 4.936 124.215 119.300 -0.035 0.000 2.408 768 C HA 0.486 4.947 4.460 0.002 0.000 0.321 768 C C 0.296 175.288 174.990 0.003 0.000 1.245 768 C CA -0.441 58.536 59.018 -0.069 0.000 1.523 768 C CB 0.729 28.378 27.740 -0.151 0.000 2.178 768 C HN 0.930 nan 8.230 nan 0.000 0.488 769 D N 1.831 122.256 120.400 0.040 0.000 2.440 769 D HA 0.281 4.922 4.640 0.002 0.000 0.216 769 D C 1.337 177.698 176.300 0.102 0.000 1.150 769 D CA 0.636 54.674 54.000 0.065 0.000 0.832 769 D CB 0.064 40.901 40.800 0.061 0.000 0.992 769 D HN 1.289 nan 8.370 nan 0.000 0.502 770 G N 0.510 109.405 108.800 0.158 0.000 2.268 770 G HA2 -0.363 3.597 3.960 0.002 0.000 0.240 770 G HA3 -0.363 3.597 3.960 0.002 0.000 0.240 770 G C 1.003 176.085 174.900 0.303 0.000 1.010 770 G CA 0.408 45.646 45.100 0.230 0.000 0.618 770 G HN 0.424 nan 8.290 nan 0.000 0.516 771 E N -0.436 119.918 120.200 0.257 0.000 2.152 771 E HA 0.393 4.743 4.350 0.002 0.000 0.195 771 E C 1.515 178.305 176.600 0.317 0.000 0.934 771 E CA 0.911 57.432 56.400 0.201 0.000 0.869 771 E CB 0.119 29.884 29.700 0.109 0.000 0.842 771 E HN 0.738 nan 8.360 nan 0.000 0.472 772 M N -0.894 118.878 119.600 0.286 0.000 2.719 772 M HA 0.590 5.071 4.480 0.002 0.000 0.291 772 M C -1.319 175.032 176.300 0.085 0.000 1.264 772 M CA -0.964 54.492 55.300 0.260 0.000 0.811 772 M CB 2.396 35.081 32.600 0.140 0.000 1.756 772 M HN -0.315 nan 8.290 nan 0.000 0.464 773 V N 2.162 122.079 119.914 0.006 0.000 2.487 773 V HA 0.532 4.653 4.120 0.002 0.000 0.298 773 V C -1.136 174.940 176.094 -0.030 0.000 1.028 773 V CA -0.660 61.572 62.300 -0.113 0.000 0.860 773 V CB 1.622 33.280 31.823 -0.275 0.000 0.991 773 V HN 0.761 nan 8.190 nan 0.000 0.427 774 L N 6.125 127.333 121.223 -0.025 0.000 2.272 774 L HA 0.580 4.921 4.340 0.002 0.000 0.289 774 L C -0.390 176.474 176.870 -0.009 0.000 1.032 774 L CA -0.053 54.783 54.840 -0.007 0.000 0.810 774 L CB 1.018 43.078 42.059 0.002 0.000 1.205 774 L HN 0.434 nan 8.230 nan 0.000 0.422 775 I N 5.811 126.379 120.570 -0.004 0.000 2.363 775 I HA 0.181 4.352 4.170 0.002 0.000 0.292 775 I C 1.394 177.513 176.117 0.003 0.000 1.075 775 I CA 0.290 61.592 61.300 0.004 0.000 1.333 775 I CB 0.481 38.484 38.000 0.004 0.000 1.415 775 I HN 0.847 nan 8.210 nan 0.000 0.502 776 G N 5.352 114.158 108.800 0.011 0.000 2.396 776 G HA2 0.257 4.218 3.960 0.002 0.000 0.214 776 G HA3 0.257 4.218 3.960 0.002 0.000 0.214 776 G C 0.646 175.548 174.900 0.004 0.000 1.166 776 G CA 0.636 45.739 45.100 0.005 0.000 0.793 776 G HN 0.777 nan 8.290 nan 0.000 0.533 777 G N -0.980 107.837 108.800 0.029 0.000 2.596 777 G HA2 0.449 4.410 3.960 0.002 0.000 0.296 777 G HA3 0.449 4.410 3.960 0.002 0.000 0.296 777 G C -1.583 173.365 174.900 0.079 0.000 1.513 777 G CA -0.855 44.270 45.100 0.041 0.000 0.851 777 G HN 0.146 nan 8.290 nan 0.000 0.548 778 I N 1.708 122.327 120.570 0.082 0.000 2.354 778 I HA 0.384 4.555 4.170 0.002 0.000 0.286 778 I C -0.136 176.073 176.117 0.153 0.000 1.007 778 I CA -0.417 60.945 61.300 0.103 0.000 1.167 778 I CB 1.650 39.684 38.000 0.058 0.000 1.320 778 I HN 0.222 nan 8.210 nan 0.000 0.458 779 M N 6.049 125.769 119.600 0.200 0.000 2.167 779 M HA 0.328 4.809 4.480 0.002 0.000 0.333 779 M C -0.248 176.212 176.300 0.267 0.000 1.030 779 M CA -0.365 55.101 55.300 0.277 0.000 0.963 779 M CB 1.933 34.727 32.600 0.323 0.000 1.589 779 M HN 0.453 nan 8.290 nan 0.000 0.431 780 E N 3.717 124.095 120.200 0.297 0.000 2.146 780 E HA 0.242 4.593 4.350 0.002 0.000 0.282 780 E C -0.989 175.858 176.600 0.411 0.000 0.989 780 E CA -0.457 56.105 56.400 0.271 0.000 0.799 780 E CB 0.847 30.676 29.700 0.216 0.000 1.088 780 E HN 0.670 nan 8.360 nan 0.000 0.397 781 H N 3.301 122.487 119.070 0.193 0.000 2.607 781 H HA 0.048 4.605 4.556 0.002 0.000 0.367 781 H C 0.766 176.242 175.328 0.248 0.000 1.181 781 H CA -0.744 55.415 56.048 0.185 0.000 1.402 781 H CB 1.233 31.073 29.762 0.130 0.000 1.474 781 H HN 0.559 nan 8.280 nan 0.000 0.596 782 I N 0.958 121.746 120.570 0.363 0.000 2.296 782 I HA -0.113 4.058 4.170 0.002 0.000 0.242 782 I C 0.529 176.807 176.117 0.267 0.000 1.087 782 I CA 1.010 62.503 61.300 0.322 0.000 1.393 782 I CB -0.089 38.071 38.000 0.267 0.000 1.093 782 I HN 0.591 nan 8.210 nan 0.000 0.421 783 E N 2.232 122.574 120.200 0.236 0.000 2.360 783 E HA 0.066 4.417 4.350 0.002 0.000 0.269 783 E C 0.145 176.880 176.600 0.225 0.000 1.022 783 E CA -0.322 56.202 56.400 0.206 0.000 0.887 783 E CB 0.197 29.999 29.700 0.170 0.000 0.990 783 E HN 0.152 nan 8.360 nan 0.000 0.426 784 Q N 1.612 121.519 119.800 0.178 0.000 2.651 784 Q HA 0.195 4.536 4.340 0.002 0.000 0.224 784 Q C -0.202 175.893 176.000 0.159 0.000 1.094 784 Q CA -0.409 55.478 55.803 0.140 0.000 1.018 784 Q CB 0.281 29.087 28.738 0.114 0.000 1.292 784 Q HN 0.491 nan 8.270 nan 0.000 0.588 785 A N -0.535 122.334 122.820 0.082 0.000 2.483 785 A HA 0.459 4.780 4.320 0.002 0.000 0.238 785 A C 1.135 178.865 177.584 0.243 0.000 1.070 785 A CA 0.766 52.854 52.037 0.085 0.000 0.770 785 A CB -0.593 18.368 19.000 -0.065 0.000 1.008 785 A HN 1.407 nan 8.150 nan 0.000 0.497 786 G N 0.175 109.154 108.800 0.298 0.000 2.352 786 G HA2 -0.125 3.836 3.960 0.002 0.000 0.204 786 G HA3 -0.125 3.836 3.960 0.002 0.000 0.204 786 G C 0.102 175.113 174.900 0.186 0.000 1.004 786 G CA 0.062 45.385 45.100 0.372 0.000 0.648 786 G HN 1.415 nan 8.290 nan 0.000 0.491 787 V N 3.307 123.335 119.914 0.190 0.000 2.350 787 V HA 0.424 4.545 4.120 0.002 0.000 0.276 787 V C 0.774 176.971 176.094 0.171 0.000 1.028 787 V CA -0.970 61.432 62.300 0.170 0.000 0.860 787 V CB 1.248 33.170 31.823 0.166 0.000 0.990 787 V HN 0.431 nan 8.190 nan 0.000 0.453 788 H N 3.725 122.848 119.070 0.087 0.000 3.173 788 H HA -0.091 4.466 4.556 0.002 0.000 0.311 788 H C 1.662 177.018 175.328 0.046 0.000 0.972 788 H CA 1.109 57.199 56.048 0.069 0.000 1.384 788 H CB 1.107 30.891 29.762 0.037 0.000 1.349 788 H HN 0.899 nan 8.280 nan 0.000 0.582 789 S N 2.676 118.261 115.700 -0.193 0.000 2.402 789 S HA -0.147 4.324 4.470 0.002 0.000 0.233 789 S C 2.188 176.765 174.600 -0.038 0.000 1.030 789 S CA 1.042 59.187 58.200 -0.092 0.000 1.003 789 S CB -0.395 62.822 63.200 0.028 0.000 0.813 789 S HN 0.722 nan 8.310 nan 0.000 0.477 790 G N 0.603 109.599 108.800 0.326 0.000 2.534 790 G HA2 0.012 3.973 3.960 0.002 0.000 0.217 790 G HA3 0.012 3.973 3.960 0.002 0.000 0.217 790 G C 0.694 175.638 174.900 0.072 0.000 1.128 790 G CA 0.646 45.870 45.100 0.207 0.000 0.784 790 G HN 0.552 nan 8.290 nan 0.000 0.542 791 D N -0.104 120.357 120.400 0.102 0.000 2.402 791 D HA 0.226 4.867 4.640 0.002 0.000 0.216 791 D C 0.438 176.745 176.300 0.012 0.000 1.128 791 D CA 0.036 54.066 54.000 0.050 0.000 0.833 791 D CB 0.774 41.632 40.800 0.096 0.000 0.971 791 D HN 0.061 nan 8.370 nan 0.000 0.503 792 S N 0.237 115.890 115.700 -0.079 0.000 2.593 792 S HA 0.747 5.218 4.470 0.002 0.000 0.297 792 S C 0.176 174.697 174.600 -0.131 0.000 1.112 792 S CA -0.823 57.309 58.200 -0.114 0.000 1.043 792 S CB 2.112 65.124 63.200 -0.313 0.000 1.054 792 S HN 0.200 nan 8.310 nan 0.000 0.516 793 A N 0.780 123.590 122.820 -0.016 0.000 2.287 793 A HA 0.703 5.024 4.320 0.002 0.000 0.273 793 A C 0.272 177.864 177.584 0.014 0.000 1.091 793 A CA -0.555 51.478 52.037 -0.006 0.000 0.817 793 A CB -0.311 18.778 19.000 0.149 0.000 1.069 793 A HN 1.280 nan 8.150 nan 0.000 0.492 794 C N -0.608 118.688 119.300 -0.006 0.000 3.173 794 C HA 0.865 5.326 4.460 0.002 0.000 0.310 794 C C -0.280 174.838 174.990 0.213 0.000 1.306 794 C CA -0.454 58.635 59.018 0.118 0.000 1.426 794 C CB 0.926 28.726 27.740 0.099 0.000 1.800 794 C HN 1.099 nan 8.230 nan 0.000 0.470 795 S N 0.965 116.884 115.700 0.367 0.000 2.503 795 S HA 0.818 5.289 4.470 0.002 0.000 0.301 795 S C -1.287 173.607 174.600 0.490 0.000 1.087 795 S CA -0.542 57.946 58.200 0.480 0.000 1.042 795 S CB 1.122 64.647 63.200 0.542 0.000 1.043 795 S HN 1.034 nan 8.310 nan 0.000 0.489 796 L N 6.353 127.880 121.223 0.507 0.000 2.457 796 L HA 0.560 4.901 4.340 0.002 0.000 0.266 796 L C -2.562 174.440 176.870 0.221 0.000 0.979 796 L CA -1.947 53.093 54.840 0.333 0.000 0.857 796 L CB 2.301 44.510 42.059 0.251 0.000 1.213 796 L HN 0.515 nan 8.230 nan 0.000 0.418 797 P HA 0.233 nan 4.420 nan 0.000 0.279 797 P C -0.708 176.800 177.300 0.347 0.000 1.282 797 P CA -0.443 62.746 63.100 0.148 0.000 0.788 797 P CB 0.602 32.304 31.700 0.003 0.000 1.139 798 A N 0.137 123.109 122.820 0.253 0.000 2.520 798 A HA 0.079 4.400 4.320 0.002 0.000 0.235 798 A C 0.520 178.311 177.584 0.344 0.000 1.065 798 A CA 0.187 52.387 52.037 0.272 0.000 0.764 798 A CB -0.934 18.133 19.000 0.112 0.000 1.002 798 A HN 0.768 nan 8.150 nan 0.000 0.502 799 Y N -0.287 120.045 120.300 0.053 0.000 2.467 799 Y HA 0.319 4.869 4.550 0.001 0.000 0.250 799 Y C 1.239 177.033 175.900 -0.177 0.000 1.155 799 Y CA 0.582 58.619 58.100 -0.105 0.000 1.249 799 Y CB 0.330 38.438 38.460 -0.586 0.000 1.146 799 Y HN 0.628 nan 8.280 nan 0.000 0.524 800 T N -2.617 111.567 114.554 -0.617 0.000 3.092 800 T HA 0.294 4.645 4.350 0.002 0.000 0.273 800 T C -0.030 174.496 174.700 -0.291 0.000 0.898 800 T CA -0.282 61.499 62.100 -0.531 0.000 0.868 800 T CB -0.545 67.870 68.868 -0.755 0.000 1.228 800 T HN 0.150 nan 8.240 nan 0.000 0.555 801 L N 4.122 125.218 121.223 -0.212 0.000 2.360 801 L HA 0.461 4.802 4.340 0.002 0.000 0.276 801 L C 0.949 177.761 176.870 -0.096 0.000 1.121 801 L CA -0.637 54.122 54.840 -0.135 0.000 0.845 801 L CB 1.081 43.080 42.059 -0.099 0.000 1.143 801 L HN 0.471 nan 8.230 nan 0.000 0.452 802 S N 2.192 117.837 115.700 -0.092 0.000 2.573 802 S HA -0.057 4.414 4.470 0.002 0.000 0.277 802 S C 0.735 175.297 174.600 -0.064 0.000 1.346 802 S CA -0.361 57.796 58.200 -0.072 0.000 1.034 802 S CB 1.327 64.486 63.200 -0.069 0.000 0.879 802 S HN 0.697 nan 8.310 nan 0.000 0.528 803 Q N 0.970 120.739 119.800 -0.051 0.000 2.170 803 Q HA -0.143 4.198 4.340 0.002 0.000 0.203 803 Q C 2.073 178.040 176.000 -0.055 0.000 0.976 803 Q CA 2.191 57.965 55.803 -0.047 0.000 0.858 803 Q CB -0.301 28.415 28.738 -0.038 0.000 0.907 803 Q HN 0.961 nan 8.270 nan 0.000 0.433 804 E N -0.240 119.927 120.200 -0.056 0.000 2.031 804 E HA -0.206 4.145 4.350 0.002 0.000 0.193 804 E C 1.910 178.465 176.600 -0.075 0.000 0.994 804 E CA 1.293 57.657 56.400 -0.059 0.000 0.800 804 E CB -0.269 29.399 29.700 -0.053 0.000 0.752 804 E HN 0.493 nan 8.360 nan 0.000 0.447 805 I N 0.778 121.298 120.570 -0.084 0.000 2.315 805 I HA -0.267 3.904 4.170 0.002 0.000 0.248 805 I C 2.433 178.467 176.117 -0.138 0.000 1.117 805 I CA 1.272 62.507 61.300 -0.109 0.000 1.404 805 I CB -0.235 37.702 38.000 -0.105 0.000 1.071 805 I HN 0.338 nan 8.210 nan 0.000 0.419 806 Q N 0.168 119.898 119.800 -0.116 0.000 2.084 806 Q HA -0.244 4.097 4.340 0.002 0.000 0.202 806 Q C 1.680 177.604 176.000 -0.126 0.000 0.978 806 Q CA 1.582 57.310 55.803 -0.124 0.000 0.844 806 Q CB -0.146 28.547 28.738 -0.076 0.000 0.898 806 Q HN 0.457 nan 8.270 nan 0.000 0.426 807 D N 0.039 120.383 120.400 -0.093 0.000 2.221 807 D HA -0.119 4.522 4.640 0.002 0.000 0.204 807 D C 1.855 178.100 176.300 -0.092 0.000 0.982 807 D CA 0.768 54.722 54.000 -0.077 0.000 0.857 807 D CB 0.080 40.847 40.800 -0.056 0.000 0.934 807 D HN 0.067 nan 8.370 nan 0.000 0.475 808 V N 0.635 120.475 119.914 -0.123 0.000 2.323 808 V HA -0.183 3.938 4.120 0.002 0.000 0.244 808 V C 2.518 178.495 176.094 -0.194 0.000 1.041 808 V CA 1.086 63.306 62.300 -0.133 0.000 1.025 808 V CB -0.271 31.468 31.823 -0.140 0.000 0.656 808 V HN 0.173 nan 8.190 nan 0.000 0.451 809 M N -0.742 118.658 119.600 -0.332 0.000 2.108 809 M HA -0.217 4.264 4.480 0.002 0.000 0.261 809 M C 2.438 178.600 176.300 -0.230 0.000 1.066 809 M CA 1.909 56.861 55.300 -0.580 0.000 1.107 809 M CB -0.471 31.587 32.600 -0.903 0.000 1.356 809 M HN 0.187 nan 8.290 nan 0.000 0.406 810 R N -0.196 120.226 120.500 -0.130 0.000 2.091 810 R HA -0.229 4.112 4.340 0.002 0.000 0.238 810 R C 2.208 178.507 176.300 -0.002 0.000 1.136 810 R CA 1.852 57.931 56.100 -0.035 0.000 0.959 810 R CB -0.373 29.910 30.300 -0.029 0.000 0.856 810 R HN 0.412 nan 8.270 nan 0.000 0.437 811 Q N 0.550 120.340 119.800 -0.017 0.000 2.172 811 Q HA -0.155 4.186 4.340 0.002 0.000 0.200 811 Q C 1.914 177.942 176.000 0.047 0.000 0.964 811 Q CA 1.384 57.197 55.803 0.016 0.000 0.855 811 Q CB 0.195 28.936 28.738 0.005 0.000 0.918 811 Q HN 0.344 nan 8.270 nan 0.000 0.444 812 Q N -0.853 118.978 119.800 0.050 0.000 2.079 812 Q HA -0.107 4.234 4.340 0.002 0.000 0.200 812 Q C 2.092 178.196 176.000 0.173 0.000 0.974 812 Q CA 1.506 57.386 55.803 0.127 0.000 0.840 812 Q CB 0.160 29.016 28.738 0.197 0.000 0.898 812 Q HN 0.283 nan 8.270 nan 0.000 0.430 813 V N 0.969 121.002 119.914 0.198 0.000 2.392 813 V HA -0.323 3.798 4.120 0.002 0.000 0.249 813 V C 2.290 178.407 176.094 0.038 0.000 1.059 813 V CA 2.132 64.527 62.300 0.158 0.000 1.051 813 V CB -0.586 31.330 31.823 0.154 0.000 0.658 813 V HN 0.440 nan 8.190 nan 0.000 0.455 814 Q N 0.045 119.858 119.800 0.023 0.000 2.020 814 Q HA -0.289 4.052 4.340 0.002 0.000 0.202 814 Q C 2.325 178.331 176.000 0.011 0.000 0.982 814 Q CA 2.091 57.868 55.803 -0.044 0.000 0.838 814 Q CB -0.076 28.690 28.738 0.047 0.000 0.899 814 Q HN 0.558 nan 8.270 nan 0.000 0.423 815 K N 0.160 120.627 120.400 0.113 0.000 2.020 815 K HA -0.176 4.145 4.320 0.002 0.000 0.212 815 K C 2.082 178.757 176.600 0.125 0.000 1.050 815 K CA 1.755 58.135 56.287 0.154 0.000 0.929 815 K CB -0.237 32.329 32.500 0.110 0.000 0.714 815 K HN 0.211 nan 8.250 nan 0.000 0.443 816 L N 0.010 121.284 121.223 0.085 0.000 2.017 816 L HA -0.226 4.115 4.340 0.002 0.000 0.208 816 L C 2.471 179.364 176.870 0.039 0.000 1.073 816 L CA 1.291 56.179 54.840 0.079 0.000 0.745 816 L CB -0.606 41.508 42.059 0.093 0.000 0.894 816 L HN 0.267 nan 8.230 nan 0.000 0.432 817 A N 0.188 122.972 122.820 -0.060 0.000 1.884 817 A HA -0.265 4.056 4.320 0.002 0.000 0.219 817 A C 2.024 179.535 177.584 -0.122 0.000 1.197 817 A CA 2.092 54.028 52.037 -0.169 0.000 0.637 817 A CB -0.983 17.781 19.000 -0.394 0.000 0.827 817 A HN 0.319 nan 8.150 nan 0.000 0.450 818 F N -0.356 119.621 119.950 0.045 0.000 2.146 818 F HA -0.036 4.492 4.527 0.002 0.000 0.298 818 F C 2.360 178.181 175.800 0.035 0.000 1.096 818 F CA 1.486 59.507 58.000 0.036 0.000 1.275 818 F CB -0.729 38.289 39.000 0.029 0.000 1.008 818 F HN 0.341 nan 8.300 nan 0.000 0.480 819 E N 0.957 121.294 120.200 0.229 0.000 2.051 819 E HA -0.161 4.190 4.350 0.002 0.000 0.192 819 E C 1.913 178.581 176.600 0.113 0.000 0.991 819 E CA 1.446 57.933 56.400 0.146 0.000 0.799 819 E CB -0.561 29.207 29.700 0.112 0.000 0.748 819 E HN 0.414 nan 8.360 nan 0.000 0.449 820 L N 0.214 121.497 121.223 0.100 0.000 2.551 820 L HA 0.009 4.350 4.340 0.002 0.000 0.228 820 L C 0.347 177.260 176.870 0.072 0.000 1.153 820 L CA 0.428 55.319 54.840 0.084 0.000 0.851 820 L CB -0.248 41.861 42.059 0.083 0.000 0.959 820 L HN 0.194 nan 8.230 nan 0.000 0.451 821 Q N -1.288 118.564 119.800 0.086 0.000 2.504 821 Q HA -0.140 4.201 4.340 0.002 0.000 0.274 821 Q C -0.111 175.923 176.000 0.057 0.000 1.103 821 Q CA 0.268 56.120 55.803 0.082 0.000 0.962 821 Q CB -2.395 26.382 28.738 0.066 0.000 1.322 821 Q HN 0.265 nan 8.270 nan 0.000 0.500 822 V N 1.611 121.548 119.914 0.037 0.000 2.872 822 V HA 0.073 4.194 4.120 0.002 0.000 0.307 822 V C 1.033 177.141 176.094 0.024 0.000 1.072 822 V CA 0.689 63.001 62.300 0.020 0.000 1.148 822 V CB 0.801 32.620 31.823 -0.006 0.000 0.954 822 V HN 0.161 nan 8.190 nan 0.000 0.490 823 R N 3.438 123.955 120.500 0.027 0.000 2.721 823 R HA 0.561 4.902 4.340 0.002 0.000 0.272 823 R C 0.249 176.568 176.300 0.033 0.000 1.721 823 R CA 0.404 56.521 56.100 0.029 0.000 1.325 823 R CB 0.962 31.278 30.300 0.026 0.000 1.271 823 R HN 1.106 nan 8.270 nan 0.000 0.556 824 G N 1.154 109.980 108.800 0.044 0.000 2.348 824 G HA2 -0.157 3.804 3.960 0.002 0.000 0.199 824 G HA3 -0.157 3.804 3.960 0.002 0.000 0.199 824 G C -1.025 173.928 174.900 0.088 0.000 1.235 824 G CA -0.924 44.224 45.100 0.080 0.000 1.264 824 G HN 0.261 nan 8.290 nan 0.000 0.543 825 L N 1.687 122.994 121.223 0.139 0.000 2.453 825 L HA 0.781 5.122 4.340 0.002 0.000 0.261 825 L C 0.877 177.787 176.870 0.066 0.000 1.179 825 L CA 0.037 54.936 54.840 0.099 0.000 0.813 825 L CB 1.232 43.350 42.059 0.098 0.000 1.110 825 L HN 0.967 nan 8.230 nan 0.000 0.466 826 M N 1.767 121.391 119.600 0.040 0.000 2.603 826 M HA 0.443 4.924 4.480 0.002 0.000 0.275 826 M C -2.048 174.265 176.300 0.022 0.000 1.226 826 M CA -0.748 54.566 55.300 0.024 0.000 0.870 826 M CB 2.409 35.013 32.600 0.006 0.000 1.716 826 M HN 0.555 nan 8.290 nan 0.000 0.482 827 N N 1.646 120.352 118.700 0.010 0.000 2.260 827 N HA 0.674 5.415 4.740 0.002 0.000 0.293 827 N C -2.353 173.138 175.510 -0.033 0.000 1.058 827 N CA -0.309 52.748 53.050 0.011 0.000 0.824 827 N CB 2.940 41.441 38.487 0.024 0.000 1.551 827 N HN 0.660 nan 8.380 nan 0.000 0.475 828 V N 2.213 122.104 119.914 -0.038 0.000 2.656 828 V HA 0.441 4.562 4.120 0.002 0.000 0.307 828 V C -0.487 175.455 176.094 -0.252 0.000 1.051 828 V CA -0.771 61.415 62.300 -0.191 0.000 0.893 828 V CB 1.817 33.502 31.823 -0.230 0.000 0.999 828 V HN 0.615 nan 8.190 nan 0.000 0.426 829 Q N 3.225 122.788 119.800 -0.394 0.000 2.316 829 Q HA 0.709 5.050 4.340 0.002 0.000 0.264 829 Q C -1.672 174.054 176.000 -0.457 0.000 0.987 829 Q CA -0.301 55.337 55.803 -0.276 0.000 0.852 829 Q CB 2.542 31.192 28.738 -0.145 0.000 1.287 829 Q HN 0.652 nan 8.270 nan 0.000 0.448 830 F N 0.304 120.246 119.950 -0.013 0.000 2.631 830 F HA 0.792 5.320 4.527 0.001 0.000 0.328 830 F C -0.281 175.501 175.800 -0.030 0.000 1.067 830 F CA -1.080 56.924 58.000 0.007 0.000 0.969 830 F CB 1.772 40.774 39.000 0.005 0.000 1.332 830 F HN 0.512 nan 8.300 nan 0.000 0.490 831 A N 0.883 123.857 122.820 0.255 0.000 2.374 831 A HA 0.782 5.103 4.320 0.002 0.000 0.305 831 A C -1.766 175.921 177.584 0.171 0.000 1.053 831 A CA -0.682 51.417 52.037 0.105 0.000 0.726 831 A CB 1.259 20.254 19.000 -0.008 0.000 1.229 831 A HN 0.492 nan 8.150 nan 0.000 0.431 832 V N 2.630 122.589 119.914 0.075 0.000 2.398 832 V HA 0.555 4.676 4.120 0.002 0.000 0.286 832 V C 0.053 176.175 176.094 0.048 0.000 1.026 832 V CA -0.476 61.877 62.300 0.089 0.000 0.868 832 V CB 1.377 33.202 31.823 0.004 0.000 0.982 832 V HN 0.831 nan 8.190 nan 0.000 0.443 833 K N 3.771 124.253 120.400 0.138 0.000 2.541 833 K HA 0.393 4.714 4.320 0.002 0.000 0.250 833 K C -0.169 176.501 176.600 0.117 0.000 0.950 833 K CA -0.601 55.715 56.287 0.048 0.000 0.805 833 K CB 1.007 33.436 32.500 -0.118 0.000 1.166 833 K HN 0.834 nan 8.250 nan 0.000 0.430 834 N N 3.557 122.280 118.700 0.038 0.000 2.714 834 N HA -0.261 4.480 4.740 0.002 0.000 0.253 834 N C -0.493 175.036 175.510 0.032 0.000 1.024 834 N CA 0.833 53.903 53.050 0.033 0.000 0.726 834 N CB -1.042 37.473 38.487 0.046 0.000 0.908 834 N HN 0.961 nan 8.380 nan 0.000 0.542 835 N N -0.783 117.922 118.700 0.008 0.000 2.714 835 N HA -0.226 4.515 4.740 0.002 0.000 0.250 835 N C -1.401 174.098 175.510 -0.018 0.000 1.117 835 N CA 1.131 54.171 53.050 -0.016 0.000 0.719 835 N CB -0.171 38.298 38.487 -0.029 0.000 1.081 835 N HN 0.534 nan 8.380 nan 0.000 0.557 836 E N 0.322 120.539 120.200 0.028 0.000 2.256 836 E HA 0.272 4.623 4.350 0.002 0.000 0.268 836 E C -0.553 176.026 176.600 -0.036 0.000 0.877 836 E CA -0.696 55.675 56.400 -0.049 0.000 0.757 836 E CB 2.534 32.199 29.700 -0.059 0.000 1.183 836 E HN -0.035 nan 8.360 nan 0.000 0.418 837 V N 3.935 123.752 119.914 -0.162 0.000 2.455 837 V HA 0.181 4.302 4.120 0.002 0.000 0.273 837 V C -0.792 175.222 176.094 -0.134 0.000 1.045 837 V CA -0.030 62.221 62.300 -0.081 0.000 0.976 837 V CB -0.370 31.367 31.823 -0.144 0.000 0.993 837 V HN 0.517 nan 8.190 nan 0.000 0.475 838 Y N 4.332 124.707 120.300 0.124 0.000 2.376 838 Y HA 0.546 5.097 4.550 0.002 0.000 0.340 838 Y C -0.177 175.849 175.900 0.209 0.000 0.965 838 Y CA -1.060 57.116 58.100 0.128 0.000 1.078 838 Y CB 1.815 40.307 38.460 0.054 0.000 1.193 838 Y HN 0.423 nan 8.280 nan 0.000 0.452 839 L N 4.451 125.842 121.223 0.280 0.000 2.281 839 L HA 0.339 4.680 4.340 0.002 0.000 0.285 839 L C 0.209 177.148 176.870 0.116 0.000 1.074 839 L CA 0.534 55.443 54.840 0.114 0.000 0.817 839 L CB 0.305 42.428 42.059 0.105 0.000 1.168 839 L HN 0.807 nan 8.230 nan 0.000 0.434 840 I N 2.841 123.415 120.570 0.008 0.000 2.731 840 I HA 0.098 4.268 4.170 0.002 0.000 0.260 840 I C 0.311 176.429 176.117 0.002 0.000 1.138 840 I CA 0.347 61.661 61.300 0.022 0.000 1.461 840 I CB 0.350 38.331 38.000 -0.032 0.000 1.128 840 I HN 0.784 nan 8.210 nan 0.000 0.438 841 E N -0.755 119.379 120.200 -0.110 0.000 2.398 841 E HA 0.324 4.675 4.350 0.002 0.000 0.280 841 E C -1.720 174.668 176.600 -0.353 0.000 1.122 841 E CA -0.760 55.453 56.400 -0.312 0.000 0.873 841 E CB 1.652 31.178 29.700 -0.290 0.000 1.294 841 E HN -0.231 nan 8.360 nan 0.000 0.435 842 V N 2.214 121.797 119.914 -0.551 0.000 2.483 842 V HA 0.466 4.587 4.120 0.002 0.000 0.297 842 V C -0.983 174.965 176.094 -0.243 0.000 1.027 842 V CA -0.930 61.183 62.300 -0.313 0.000 0.855 842 V CB 1.623 33.335 31.823 -0.184 0.000 0.995 842 V HN 0.616 nan 8.190 nan 0.000 0.424 843 N N 6.387 125.009 118.700 -0.131 0.000 2.558 843 N HA 0.333 5.074 4.740 0.002 0.000 0.242 843 N C -2.682 172.810 175.510 -0.030 0.000 0.979 843 N CA -1.340 51.666 53.050 -0.074 0.000 0.931 843 N CB 2.271 40.741 38.487 -0.028 0.000 1.122 843 N HN 0.364 nan 8.380 nan 0.000 0.508 844 P HA 0.114 nan 4.420 nan 0.000 0.225 844 P C -0.412 176.908 177.300 0.034 0.000 1.768 844 P CA 0.162 63.264 63.100 0.004 0.000 0.943 844 P CB -0.127 31.573 31.700 -0.000 0.000 1.936 845 R N -1.315 119.218 120.500 0.055 0.000 2.826 845 R HA 0.754 5.095 4.340 0.002 0.000 0.269 845 R C -1.207 175.163 176.300 0.117 0.000 1.031 845 R CA -1.245 54.917 56.100 0.105 0.000 0.900 845 R CB 0.077 30.431 30.300 0.091 0.000 1.318 845 R HN -0.121 nan 8.270 nan 0.000 0.447 846 A N 0.641 123.551 122.820 0.150 0.000 2.454 846 A HA 0.617 4.938 4.320 0.002 0.000 0.260 846 A C 0.127 177.813 177.584 0.170 0.000 1.106 846 A CA 0.191 52.261 52.037 0.055 0.000 0.780 846 A CB 0.045 18.947 19.000 -0.164 0.000 1.044 846 A HN 0.777 nan 8.150 nan 0.000 0.498 847 A N 2.254 125.129 122.820 0.091 0.000 2.269 847 A HA 0.580 4.900 4.320 0.002 0.000 0.319 847 A C 1.272 178.797 177.584 -0.099 0.000 1.110 847 A CA -0.348 51.763 52.037 0.123 0.000 0.847 847 A CB 0.382 19.431 19.000 0.081 0.000 1.161 847 A HN 1.013 nan 8.150 nan 0.000 0.497 848 R N -0.458 119.915 120.500 -0.211 0.000 2.328 848 R HA -0.081 4.260 4.340 0.002 0.000 0.207 848 R C 0.736 176.873 176.300 -0.272 0.000 1.056 848 R CA 1.742 57.530 56.100 -0.520 0.000 1.016 848 R CB -0.915 29.111 30.300 -0.456 0.000 0.872 848 R HN 0.651 nan 8.270 nan 0.000 0.471 849 T N -2.449 112.034 114.554 -0.118 0.000 3.100 849 T HA 0.137 4.488 4.350 0.002 0.000 0.253 849 T C 1.806 176.505 174.700 -0.002 0.000 1.118 849 T CA 0.120 62.209 62.100 -0.017 0.000 1.058 849 T CB 0.189 69.095 68.868 0.063 0.000 0.953 849 T HN 0.013 nan 8.240 nan 0.000 0.515 850 V N 2.903 122.764 119.914 -0.088 0.000 2.287 850 V HA -0.090 4.031 4.120 0.002 0.000 0.248 850 V C -0.175 175.850 176.094 -0.115 0.000 1.053 850 V CA 1.841 64.091 62.300 -0.083 0.000 1.027 850 V CB -1.274 30.484 31.823 -0.109 0.000 0.646 850 V HN 0.407 nan 8.190 nan 0.000 0.447 851 P HA -0.177 nan 4.420 nan 0.000 0.216 851 P C 1.743 178.904 177.300 -0.232 0.000 1.153 851 P CA 1.484 64.275 63.100 -0.514 0.000 0.848 851 P CB -0.163 30.861 31.700 -1.125 0.000 0.787 852 F N 0.550 120.360 119.950 -0.234 0.000 2.134 852 F HA -0.187 4.341 4.527 0.002 0.000 0.299 852 F C 1.879 177.653 175.800 -0.044 0.000 1.097 852 F CA 1.296 59.223 58.000 -0.121 0.000 1.264 852 F CB -0.673 38.273 39.000 -0.090 0.000 1.001 852 F HN -0.326 nan 8.300 nan 0.000 0.479 853 V N -0.210 119.647 119.914 -0.096 0.000 2.490 853 V HA -0.273 3.848 4.120 0.002 0.000 0.250 853 V C 2.388 178.395 176.094 -0.146 0.000 1.061 853 V CA 2.024 64.222 62.300 -0.170 0.000 1.064 853 V CB -0.837 30.978 31.823 -0.014 0.000 0.670 853 V HN 0.382 nan 8.190 nan 0.000 0.461 854 S N -0.643 115.012 115.700 -0.076 0.000 2.383 854 S HA -0.169 4.302 4.470 0.002 0.000 0.227 854 S C 2.044 176.647 174.600 0.005 0.000 1.026 854 S CA 1.224 59.420 58.200 -0.007 0.000 0.981 854 S CB -0.223 63.038 63.200 0.101 0.000 0.818 854 S HN 0.398 nan 8.310 nan 0.000 0.472 855 K N 2.146 122.536 120.400 -0.016 0.000 2.001 855 K HA 0.175 4.496 4.320 0.002 0.000 0.208 855 K C 2.198 178.861 176.600 0.106 0.000 1.048 855 K CA 1.343 57.670 56.287 0.067 0.000 0.932 855 K CB -0.938 31.545 32.500 -0.029 0.000 0.715 855 K HN 0.269 nan 8.250 nan 0.000 0.437 856 A N -0.081 122.656 122.820 -0.138 0.000 1.902 856 A HA -0.165 4.156 4.320 0.002 0.000 0.217 856 A C 2.145 179.752 177.584 0.040 0.000 1.181 856 A CA 2.525 54.516 52.037 -0.077 0.000 0.623 856 A CB -1.005 17.759 19.000 -0.394 0.000 0.818 856 A HN 0.518 nan 8.150 nan 0.000 0.443 857 T N -5.283 109.220 114.554 -0.085 0.000 3.060 857 T HA 0.408 4.759 4.350 0.002 0.000 0.249 857 T C 1.451 175.992 174.700 -0.264 0.000 1.079 857 T CA 1.078 63.098 62.100 -0.133 0.000 1.013 857 T CB 0.214 69.006 68.868 -0.127 0.000 0.975 857 T HN 1.728 nan 8.240 nan 0.000 0.518 858 G N 0.854 109.378 108.800 -0.460 0.000 2.184 858 G HA2 -0.241 3.720 3.960 0.002 0.000 0.264 858 G HA3 -0.241 3.720 3.960 0.002 0.000 0.264 858 G C 0.070 174.751 174.900 -0.365 0.000 0.975 858 G CA 0.163 44.660 45.100 -1.006 0.000 0.642 858 G HN 0.765 nan 8.290 nan 0.000 0.536 859 V N 2.366 122.170 119.914 -0.183 0.000 2.383 859 V HA 0.455 4.576 4.120 0.002 0.000 0.275 859 V C -1.562 174.532 176.094 -0.000 0.000 1.036 859 V CA -1.318 60.934 62.300 -0.080 0.000 0.889 859 V CB 1.702 33.489 31.823 -0.059 0.000 0.985 859 V HN 0.148 nan 8.190 nan 0.000 0.459 860 P HA 0.203 nan 4.420 nan 0.000 0.230 860 P C 1.141 178.515 177.300 0.123 0.000 1.791 860 P CA -0.083 63.086 63.100 0.115 0.000 1.020 860 P CB 0.279 31.997 31.700 0.030 0.000 1.977 861 L N 1.197 122.483 121.223 0.105 0.000 2.010 861 L HA -0.315 4.026 4.340 0.002 0.000 0.219 861 L C 2.505 179.440 176.870 0.108 0.000 1.077 861 L CA 2.295 57.183 54.840 0.080 0.000 0.773 861 L CB -1.221 40.865 42.059 0.044 0.000 0.892 861 L HN 0.179 nan 8.230 nan 0.000 0.436 862 A N -0.241 122.659 122.820 0.133 0.000 1.940 862 A HA -0.219 4.102 4.320 0.002 0.000 0.219 862 A C 2.303 180.049 177.584 0.270 0.000 1.176 862 A CA 1.838 53.947 52.037 0.121 0.000 0.631 862 A CB -0.348 18.682 19.000 0.051 0.000 0.814 862 A HN 0.404 nan 8.150 nan 0.000 0.446 863 K N -0.538 119.989 120.400 0.213 0.000 2.103 863 K HA -0.009 4.312 4.320 0.002 0.000 0.204 863 K C 1.865 178.526 176.600 0.102 0.000 1.052 863 K CA 1.245 57.605 56.287 0.121 0.000 0.945 863 K CB -0.296 32.201 32.500 -0.005 0.000 0.722 863 K HN 0.316 nan 8.250 nan 0.000 0.443 864 V N 1.565 121.535 119.914 0.094 0.000 2.307 864 V HA -0.210 3.911 4.120 0.002 0.000 0.245 864 V C 2.359 178.509 176.094 0.092 0.000 1.045 864 V CA 2.051 64.395 62.300 0.074 0.000 1.024 864 V CB -0.641 31.216 31.823 0.057 0.000 0.651 864 V HN 0.332 nan 8.190 nan 0.000 0.449 865 A N -0.172 122.730 122.820 0.136 0.000 2.019 865 A HA -0.029 4.292 4.320 0.002 0.000 0.219 865 A C 2.354 180.029 177.584 0.152 0.000 1.164 865 A CA 1.821 53.953 52.037 0.159 0.000 0.644 865 A CB -0.566 18.567 19.000 0.222 0.000 0.805 865 A HN 0.557 nan 8.150 nan 0.000 0.449 866 A N 0.091 123.017 122.820 0.176 0.000 1.897 866 A HA -0.104 4.217 4.320 0.002 0.000 0.215 866 A C 2.227 179.793 177.584 -0.030 0.000 1.181 866 A CA 1.371 53.423 52.037 0.025 0.000 0.620 866 A CB -0.383 18.655 19.000 0.064 0.000 0.821 866 A HN 0.541 nan 8.150 nan 0.000 0.443 867 R N -0.736 119.774 120.500 0.018 0.000 2.075 867 R HA -0.050 4.291 4.340 0.002 0.000 0.232 867 R C 2.013 178.321 176.300 0.013 0.000 1.126 867 R CA 1.293 57.401 56.100 0.014 0.000 0.963 867 R CB -0.644 29.683 30.300 0.044 0.000 0.858 867 R HN 0.338 nan 8.270 nan 0.000 0.435 868 V N 1.471 121.401 119.914 0.026 0.000 2.287 868 V HA -0.318 3.802 4.120 0.002 0.000 0.248 868 V C 2.339 178.436 176.094 0.004 0.000 1.053 868 V CA 1.954 64.270 62.300 0.026 0.000 1.027 868 V CB -0.353 31.493 31.823 0.039 0.000 0.646 868 V HN 0.345 nan 8.190 nan 0.000 0.447 869 M N -0.416 119.173 119.600 -0.019 0.000 2.108 869 M HA -0.170 4.311 4.480 0.002 0.000 0.261 869 M C 2.206 178.462 176.300 -0.075 0.000 1.066 869 M CA 2.133 57.400 55.300 -0.054 0.000 1.107 869 M CB -0.554 31.981 32.600 -0.108 0.000 1.356 869 M HN 0.402 nan 8.290 nan 0.000 0.406 870 A N -0.613 122.144 122.820 -0.105 0.000 2.168 870 A HA 0.224 4.545 4.320 0.002 0.000 0.215 870 A C 1.787 179.359 177.584 -0.019 0.000 1.152 870 A CA 1.380 53.333 52.037 -0.139 0.000 0.716 870 A CB -0.538 18.276 19.000 -0.311 0.000 0.794 870 A HN 0.676 nan 8.150 nan 0.000 0.465 871 G N -1.647 107.159 108.800 0.009 0.000 2.318 871 G HA2 -0.132 3.829 3.960 0.002 0.000 0.172 871 G HA3 -0.132 3.829 3.960 0.002 0.000 0.172 871 G C 0.171 175.101 174.900 0.050 0.000 1.002 871 G CA 0.107 45.231 45.100 0.040 0.000 0.697 871 G HN 0.481 nan 8.290 nan 0.000 0.483 872 K N 2.238 122.669 120.400 0.053 0.000 2.253 872 K HA 0.564 4.885 4.320 0.002 0.000 0.277 872 K C 1.190 177.816 176.600 0.043 0.000 1.053 872 K CA 0.242 56.560 56.287 0.052 0.000 0.892 872 K CB 0.824 33.362 32.500 0.063 0.000 1.102 872 K HN 0.405 nan 8.250 nan 0.000 0.469 873 S N 3.456 119.180 115.700 0.041 0.000 2.580 873 S HA -0.002 4.469 4.470 0.002 0.000 0.261 873 S C 1.417 176.040 174.600 0.038 0.000 1.366 873 S CA -0.356 57.869 58.200 0.041 0.000 0.996 873 S CB 0.432 63.657 63.200 0.041 0.000 0.902 873 S HN 0.671 nan 8.310 nan 0.000 0.566 874 L N 1.029 122.275 121.223 0.040 0.000 2.056 874 L HA -0.020 4.321 4.340 0.002 0.000 0.207 874 L C 3.092 179.980 176.870 0.030 0.000 1.078 874 L CA 1.427 56.287 54.840 0.034 0.000 0.749 874 L CB -1.168 40.912 42.059 0.036 0.000 0.901 874 L HN 0.944 nan 8.230 nan 0.000 0.433 875 A N 0.053 122.893 122.820 0.032 0.000 1.908 875 A HA -0.259 4.062 4.320 0.002 0.000 0.218 875 A C 2.133 179.731 177.584 0.023 0.000 1.181 875 A CA 1.867 53.920 52.037 0.027 0.000 0.627 875 A CB -0.504 18.513 19.000 0.029 0.000 0.818 875 A HN 0.434 nan 8.150 nan 0.000 0.445 876 E N -0.475 119.740 120.200 0.026 0.000 2.204 876 E HA -0.214 4.137 4.350 0.002 0.000 0.195 876 E C 2.078 178.691 176.600 0.022 0.000 0.990 876 E CA 1.442 57.856 56.400 0.024 0.000 0.821 876 E CB -0.104 29.613 29.700 0.028 0.000 0.750 876 E HN 0.833 nan 8.360 nan 0.000 0.477 877 Q N -1.133 118.681 119.800 0.024 0.000 2.408 877 Q HA 0.156 4.497 4.340 0.002 0.000 0.205 877 Q C 0.976 176.985 176.000 0.014 0.000 0.919 877 Q CA 0.431 56.246 55.803 0.021 0.000 0.932 877 Q CB 0.920 29.673 28.738 0.025 0.000 1.058 877 Q HN 0.253 nan 8.270 nan 0.000 0.517 878 G N 1.221 110.029 108.800 0.014 0.000 2.225 878 G HA2 -0.220 3.741 3.960 0.002 0.000 0.264 878 G HA3 -0.220 3.741 3.960 0.002 0.000 0.264 878 G C -0.224 174.680 174.900 0.006 0.000 1.060 878 G CA 0.059 45.165 45.100 0.009 0.000 0.833 878 G HN 0.210 nan 8.290 nan 0.000 0.498 879 V N 1.010 120.929 119.914 0.009 0.000 2.284 879 V HA 0.627 4.748 4.120 0.002 0.000 0.274 879 V C 0.890 176.989 176.094 0.009 0.000 1.023 879 V CA 0.455 62.758 62.300 0.005 0.000 0.808 879 V CB 0.998 32.826 31.823 0.007 0.000 1.035 879 V HN 0.699 nan 8.190 nan 0.000 0.445 880 T N -0.250 114.307 114.554 0.005 0.000 3.028 880 T HA 0.276 4.627 4.350 0.002 0.000 0.262 880 T C 0.403 175.107 174.700 0.005 0.000 0.916 880 T CA -0.356 61.750 62.100 0.010 0.000 0.873 880 T CB 0.515 69.392 68.868 0.014 0.000 1.232 880 T HN 0.388 nan 8.240 nan 0.000 0.529 881 K N 2.255 122.653 120.400 -0.004 0.000 2.164 881 K HA 0.467 4.788 4.320 0.002 0.000 0.258 881 K C -0.479 176.110 176.600 -0.018 0.000 0.951 881 K CA -0.493 55.789 56.287 -0.010 0.000 0.844 881 K CB 2.565 35.057 32.500 -0.014 0.000 1.099 881 K HN 0.362 nan 8.250 nan 0.000 0.435 882 E N 2.118 122.306 120.200 -0.020 0.000 2.360 882 E HA 0.090 4.441 4.350 0.002 0.000 0.269 882 E C -0.933 175.641 176.600 -0.044 0.000 1.022 882 E CA -0.427 55.956 56.400 -0.028 0.000 0.887 882 E CB 0.866 30.552 29.700 -0.023 0.000 0.990 882 E HN 0.160 nan 8.360 nan 0.000 0.426 883 V N 6.454 126.334 119.914 -0.057 0.000 2.407 883 V HA 0.251 4.372 4.120 0.002 0.000 0.278 883 V C 0.043 176.076 176.094 -0.101 0.000 1.037 883 V CA -0.616 61.635 62.300 -0.082 0.000 0.900 883 V CB 1.293 33.059 31.823 -0.095 0.000 0.983 883 V HN 0.614 nan 8.190 nan 0.000 0.459 884 I N 6.916 127.413 120.570 -0.121 0.000 2.420 884 I HA 0.380 4.551 4.170 0.002 0.000 0.282 884 I C -2.258 173.719 176.117 -0.233 0.000 1.019 884 I CA -1.994 59.214 61.300 -0.154 0.000 1.130 884 I CB 1.542 39.470 38.000 -0.120 0.000 1.262 884 I HN 0.428 nan 8.210 nan 0.000 0.454 885 P HA 0.224 nan 4.420 nan 0.000 0.270 885 P C -2.022 174.920 177.300 -0.597 0.000 1.223 885 P CA -1.026 61.712 63.100 -0.604 0.000 0.785 885 P CB -0.010 31.069 31.700 -1.035 0.000 0.923 886 P HA 0.028 nan 4.420 nan 0.000 0.241 886 P C -0.400 176.762 177.300 -0.229 0.000 1.191 886 P CA 0.869 63.782 63.100 -0.310 0.000 0.771 886 P CB -0.159 31.467 31.700 -0.123 0.000 0.929 887 Y N -3.452 116.797 120.300 -0.084 0.000 2.633 887 Y HA 0.639 5.190 4.550 0.002 0.000 0.339 887 Y C -0.328 175.509 175.900 -0.105 0.000 1.045 887 Y CA -2.146 55.926 58.100 -0.046 0.000 1.098 887 Y CB 0.231 38.701 38.460 0.016 0.000 1.296 887 Y HN -0.350 nan 8.280 nan 0.000 0.494 888 Y N 0.594 121.083 120.300 0.315 0.000 2.299 888 Y HA 0.508 5.059 4.550 0.002 0.000 0.326 888 Y C -0.009 176.074 175.900 0.304 0.000 1.164 888 Y CA -0.005 58.256 58.100 0.268 0.000 1.234 888 Y CB 1.808 40.412 38.460 0.239 0.000 1.219 888 Y HN 0.602 nan 8.280 nan 0.000 0.497 889 S N 2.367 118.340 115.700 0.454 0.000 2.596 889 S HA 0.588 5.059 4.470 0.002 0.000 0.318 889 S C -1.051 173.874 174.600 0.541 0.000 1.097 889 S CA -0.681 57.747 58.200 0.381 0.000 1.080 889 S CB 0.924 64.215 63.200 0.151 0.000 0.991 889 S HN 0.338 nan 8.310 nan 0.000 0.471 890 V N 4.357 124.505 119.914 0.390 0.000 2.628 890 V HA 0.574 4.694 4.120 0.002 0.000 0.306 890 V C -0.089 176.045 176.094 0.067 0.000 1.045 890 V CA -0.776 61.668 62.300 0.241 0.000 0.905 890 V CB 1.957 33.795 31.823 0.025 0.000 0.997 890 V HN 0.700 nan 8.190 nan 0.000 0.436 891 K N 3.418 123.681 120.400 -0.229 0.000 2.270 891 K HA 0.678 4.999 4.320 0.002 0.000 0.255 891 K C -1.152 175.269 176.600 -0.299 0.000 0.936 891 K CA -0.420 55.590 56.287 -0.462 0.000 0.809 891 K CB 2.347 34.164 32.500 -1.137 0.000 1.131 891 K HN 0.746 nan 8.250 nan 0.000 0.427 892 E N 2.392 122.439 120.200 -0.254 0.000 2.336 892 E HA 0.385 4.736 4.350 0.002 0.000 0.267 892 E C -1.311 175.192 176.600 -0.162 0.000 0.906 892 E CA -0.863 55.414 56.400 -0.206 0.000 0.781 892 E CB 1.786 31.323 29.700 -0.271 0.000 1.261 892 E HN 0.408 nan 8.360 nan 0.000 0.436 893 V N 0.566 120.411 119.914 -0.114 0.000 3.193 893 V HA 0.868 4.989 4.120 0.002 0.000 0.320 893 V C -0.314 175.740 176.094 -0.067 0.000 1.112 893 V CA -0.452 61.794 62.300 -0.090 0.000 1.026 893 V CB 1.524 33.304 31.823 -0.072 0.000 1.128 893 V HN 0.671 nan 8.190 nan 0.000 0.452 894 V N 0.821 120.698 119.914 -0.063 0.000 2.487 894 V HA 0.762 4.883 4.120 0.002 0.000 0.298 894 V C -0.656 175.391 176.094 -0.078 0.000 1.028 894 V CA -0.566 61.702 62.300 -0.054 0.000 0.860 894 V CB 0.903 32.699 31.823 -0.047 0.000 0.991 894 V HN 0.883 nan 8.190 nan 0.000 0.427 895 L N 5.918 127.083 121.223 -0.097 0.000 2.334 895 L HA 0.668 5.009 4.340 0.002 0.000 0.272 895 L C -1.647 175.075 176.870 -0.247 0.000 1.020 895 L CA -1.507 53.189 54.840 -0.240 0.000 0.812 895 L CB 2.360 44.182 42.059 -0.394 0.000 1.264 895 L HN 0.439 nan 8.230 nan 0.000 0.439 896 P HA 0.096 nan 4.420 nan 0.000 0.257 896 P C 1.122 178.318 177.300 -0.173 0.000 1.325 896 P CA 0.094 63.053 63.100 -0.234 0.000 0.850 896 P CB 0.074 31.670 31.700 -0.172 0.000 1.324 897 F N 2.530 122.542 119.950 0.102 0.000 2.147 897 F HA -0.229 4.299 4.527 0.002 0.000 0.301 897 F C 2.127 177.937 175.800 0.018 0.000 1.084 897 F CA 1.519 59.596 58.000 0.128 0.000 1.268 897 F CB -1.900 37.198 39.000 0.163 0.000 1.009 897 F HN 0.125 nan 8.300 nan 0.000 0.486 898 N N 0.502 119.275 118.700 0.121 0.000 2.585 898 N HA -0.174 4.567 4.740 0.002 0.000 0.188 898 N C 1.145 176.573 175.510 -0.137 0.000 1.102 898 N CA 0.959 54.014 53.050 0.007 0.000 0.920 898 N CB -0.386 38.101 38.487 -0.001 0.000 0.963 898 N HN 0.233 nan 8.380 nan 0.000 0.447 899 K N -0.272 119.934 120.400 -0.324 0.000 2.356 899 K HA 0.120 4.441 4.320 0.002 0.000 0.195 899 K C -0.364 175.749 176.600 -0.812 0.000 1.037 899 K CA 0.237 56.121 56.287 -0.671 0.000 1.014 899 K CB 0.218 32.067 32.500 -1.085 0.000 0.815 899 K HN 0.233 nan 8.250 nan 0.000 0.507 900 F N 1.111 121.035 119.950 -0.044 0.000 2.769 900 F HA 0.279 4.807 4.527 0.001 0.000 0.358 900 F C -1.856 173.981 175.800 0.061 0.000 1.285 900 F CA -2.380 55.623 58.000 0.004 0.000 1.199 900 F CB 1.358 40.337 39.000 -0.035 0.000 1.558 900 F HN -0.178 nan 8.300 nan 0.000 0.583 901 P HA -0.149 nan 4.420 nan 0.000 0.217 901 P C 1.777 179.135 177.300 0.096 0.000 1.148 901 P CA 1.455 64.608 63.100 0.089 0.000 0.828 901 P CB 0.203 31.918 31.700 0.024 0.000 0.783 902 G N -0.533 108.341 108.800 0.123 0.000 2.708 902 G HA2 0.046 4.007 3.960 0.002 0.000 0.210 902 G HA3 0.046 4.007 3.960 0.002 0.000 0.210 902 G C 0.356 175.321 174.900 0.108 0.000 1.141 902 G CA 0.038 45.194 45.100 0.094 0.000 0.788 902 G HN 0.212 nan 8.290 nan 0.000 0.531 903 V N 0.461 120.472 119.914 0.162 0.000 2.472 903 V HA 0.217 4.338 4.120 0.002 0.000 0.290 903 V C -0.398 175.720 176.094 0.040 0.000 1.037 903 V CA -1.266 61.137 62.300 0.172 0.000 0.908 903 V CB 1.951 33.998 31.823 0.374 0.000 0.985 903 V HN 0.078 nan 8.190 nan 0.000 0.454 904 D N 6.242 126.627 120.400 -0.025 0.000 2.346 904 D HA 0.160 4.801 4.640 0.002 0.000 0.260 904 D C -2.025 174.036 176.300 -0.397 0.000 1.252 904 D CA -1.856 52.057 54.000 -0.146 0.000 0.895 904 D CB 1.463 42.205 40.800 -0.097 0.000 1.097 904 D HN 0.276 nan 8.370 nan 0.000 0.489 905 P HA 0.110 nan 4.420 nan 0.000 0.238 905 P C -0.399 176.426 177.300 -0.792 0.000 1.714 905 P CA -0.163 62.151 63.100 -1.311 0.000 0.908 905 P CB -0.564 30.806 31.700 -0.550 0.000 1.893 906 L N -0.733 120.169 121.223 -0.536 0.000 2.334 906 L HA 0.502 4.843 4.340 0.002 0.000 0.273 906 L C -0.646 176.250 176.870 0.042 0.000 1.013 906 L CA -1.159 53.600 54.840 -0.136 0.000 0.816 906 L CB 1.344 43.355 42.059 -0.081 0.000 1.278 906 L HN -0.187 nan 8.230 nan 0.000 0.431 907 L N 3.654 124.948 121.223 0.118 0.000 2.453 907 L HA 0.795 5.136 4.340 0.002 0.000 0.261 907 L C 0.730 177.670 176.870 0.117 0.000 1.179 907 L CA 0.161 55.100 54.840 0.164 0.000 0.813 907 L CB 0.897 43.049 42.059 0.155 0.000 1.110 907 L HN 0.960 nan 8.230 nan 0.000 0.466 908 G N 0.438 109.311 108.800 0.123 0.000 2.561 908 G HA2 0.333 4.294 3.960 0.002 0.000 0.310 908 G HA3 0.333 4.294 3.960 0.002 0.000 0.310 908 G C -2.654 172.310 174.900 0.107 0.000 1.292 908 G CA -0.331 44.819 45.100 0.084 0.000 0.811 908 G HN 0.323 nan 8.290 nan 0.000 0.482 909 P HA 0.044 nan 4.420 nan 0.000 0.230 909 P C 0.279 177.687 177.300 0.181 0.000 1.158 909 P CA 0.874 64.040 63.100 0.111 0.000 0.769 909 P CB 0.369 32.085 31.700 0.027 0.000 0.807 910 E N 0.075 120.324 120.200 0.082 0.000 2.179 910 E HA 0.344 4.695 4.350 0.002 0.000 0.275 910 E C -0.516 175.999 176.600 -0.142 0.000 0.945 910 E CA -1.005 55.378 56.400 -0.028 0.000 0.792 910 E CB 0.884 30.542 29.700 -0.071 0.000 1.125 910 E HN -0.140 nan 8.360 nan 0.000 0.397 911 M N 4.708 124.025 119.600 -0.471 0.000 2.188 911 M HA 0.200 4.681 4.480 0.002 0.000 0.354 911 M C -0.061 176.090 176.300 -0.248 0.000 1.342 911 M CA 0.200 55.225 55.300 -0.459 0.000 1.117 911 M CB 0.402 32.536 32.600 -0.777 0.000 1.670 911 M HN 0.576 nan 8.290 nan 0.000 0.466 912 R N 1.497 121.916 120.500 -0.134 0.000 2.487 912 R HA 0.174 4.514 4.340 0.002 0.000 0.272 912 R C 0.259 176.529 176.300 -0.050 0.000 0.928 912 R CA 0.145 56.188 56.100 -0.095 0.000 1.077 912 R CB 0.647 30.913 30.300 -0.056 0.000 1.265 912 R HN 0.828 nan 8.270 nan 0.000 0.537 913 S N -0.575 115.081 115.700 -0.073 0.000 2.579 913 S HA 0.031 4.502 4.470 0.002 0.000 0.275 913 S C 1.191 175.767 174.600 -0.041 0.000 1.345 913 S CA 0.221 58.377 58.200 -0.073 0.000 1.031 913 S CB 1.482 64.646 63.200 -0.060 0.000 0.892 913 S HN 0.298 nan 8.310 nan 0.000 0.529 914 T N -0.396 114.131 114.554 -0.045 0.000 3.034 914 T HA 0.510 4.861 4.350 0.002 0.000 0.248 914 T C 0.887 175.567 174.700 -0.033 0.000 1.040 914 T CA 0.269 62.352 62.100 -0.028 0.000 1.107 914 T CB -0.246 68.602 68.868 -0.032 0.000 0.932 914 T HN 1.103 nan 8.240 nan 0.000 0.474 915 G N 0.546 109.318 108.800 -0.047 0.000 2.782 915 G HA2 0.635 4.596 3.960 0.002 0.000 0.304 915 G HA3 0.635 4.596 3.960 0.002 0.000 0.304 915 G C -2.049 172.809 174.900 -0.070 0.000 1.315 915 G CA -0.738 44.331 45.100 -0.051 0.000 0.791 915 G HN 0.567 nan 8.290 nan 0.000 0.519 916 E N -2.199 117.956 120.200 -0.075 0.000 2.416 916 E HA 0.597 4.948 4.350 0.002 0.000 0.280 916 E C -1.306 175.244 176.600 -0.084 0.000 1.055 916 E CA -1.040 55.301 56.400 -0.099 0.000 0.825 916 E CB 1.999 31.616 29.700 -0.138 0.000 1.312 916 E HN 1.197 nan 8.360 nan 0.000 0.452 917 V N -1.571 118.284 119.914 -0.098 0.000 3.102 917 V HA 0.771 4.892 4.120 0.002 0.000 0.312 917 V C -0.606 175.450 176.094 -0.063 0.000 1.135 917 V CA -1.071 61.187 62.300 -0.070 0.000 1.022 917 V CB 1.883 33.660 31.823 -0.076 0.000 1.056 917 V HN 0.916 nan 8.190 nan 0.000 0.436 918 M N 2.004 121.602 119.600 -0.003 0.000 2.465 918 M HA 0.842 5.322 4.480 0.002 0.000 0.316 918 M C -0.288 176.027 176.300 0.025 0.000 1.121 918 M CA -0.259 55.090 55.300 0.081 0.000 0.934 918 M CB 1.951 34.674 32.600 0.205 0.000 1.692 918 M HN 1.170 nan 8.290 nan 0.000 0.444 919 G N 3.200 112.020 108.800 0.034 0.000 2.530 919 G HA2 0.631 4.592 3.960 0.002 0.000 0.316 919 G HA3 0.631 4.592 3.960 0.002 0.000 0.316 919 G C -1.693 173.222 174.900 0.026 0.000 1.298 919 G CA -0.475 44.610 45.100 -0.026 0.000 0.948 919 G HN 0.602 nan 8.290 nan 0.000 0.486 920 V N 1.509 121.414 119.914 -0.015 0.000 2.384 920 V HA 0.901 5.022 4.120 0.002 0.000 0.287 920 V C 0.611 176.701 176.094 -0.006 0.000 1.020 920 V CA -0.183 62.103 62.300 -0.023 0.000 0.850 920 V CB 1.122 32.851 31.823 -0.157 0.000 0.987 920 V HN 1.072 nan 8.190 nan 0.000 0.436 921 G N 3.364 112.216 108.800 0.086 0.000 2.690 921 G HA2 0.522 4.483 3.960 0.002 0.000 0.291 921 G HA3 0.522 4.483 3.960 0.002 0.000 0.291 921 G C -0.036 174.994 174.900 0.216 0.000 1.403 921 G CA -0.810 44.352 45.100 0.103 0.000 0.864 921 G HN 0.550 nan 8.290 nan 0.000 0.480 922 R N -0.934 119.669 120.500 0.172 0.000 2.148 922 R HA 0.109 4.449 4.340 0.002 0.000 0.223 922 R C 1.148 177.630 176.300 0.303 0.000 1.088 922 R CA 1.493 57.716 56.100 0.205 0.000 0.985 922 R CB -0.123 30.254 30.300 0.129 0.000 0.880 922 R HN 0.626 nan 8.270 nan 0.000 0.451 923 T N -4.009 110.713 114.554 0.280 0.000 2.887 923 T HA 0.230 4.581 4.350 0.002 0.000 0.292 923 T C 0.404 175.139 174.700 0.059 0.000 1.087 923 T CA -0.922 61.342 62.100 0.273 0.000 1.009 923 T CB 1.289 70.236 68.868 0.132 0.000 1.203 923 T HN 0.026 nan 8.240 nan 0.000 0.518 924 F N 1.500 121.125 119.950 -0.541 0.000 2.134 924 F HA 0.099 4.627 4.527 0.001 0.000 0.299 924 F C 2.534 178.210 175.800 -0.207 0.000 1.097 924 F CA 1.830 59.418 58.000 -0.687 0.000 1.264 924 F CB -0.778 37.728 39.000 -0.824 0.000 1.001 924 F HN 0.742 nan 8.300 nan 0.000 0.479 925 A N 0.053 122.777 122.820 -0.160 0.000 1.908 925 A HA -0.281 4.040 4.320 0.002 0.000 0.218 925 A C 2.254 179.746 177.584 -0.154 0.000 1.181 925 A CA 2.015 53.964 52.037 -0.147 0.000 0.627 925 A CB -1.074 17.934 19.000 0.014 0.000 0.818 925 A HN 0.631 nan 8.150 nan 0.000 0.445 926 E N -0.336 119.808 120.200 -0.095 0.000 2.047 926 E HA -0.072 4.279 4.350 0.002 0.000 0.191 926 E C 2.195 178.734 176.600 -0.102 0.000 0.987 926 E CA 0.910 57.271 56.400 -0.065 0.000 0.799 926 E CB -0.261 29.435 29.700 -0.006 0.000 0.752 926 E HN 0.524 nan 8.360 nan 0.000 0.449 927 A N 0.676 123.428 122.820 -0.113 0.000 1.908 927 A HA -0.199 4.122 4.320 0.002 0.000 0.218 927 A C 2.021 179.467 177.584 -0.229 0.000 1.181 927 A CA 1.379 53.353 52.037 -0.105 0.000 0.627 927 A CB -0.972 18.035 19.000 0.012 0.000 0.818 927 A HN 0.496 nan 8.150 nan 0.000 0.445 928 F N 0.723 120.347 119.950 -0.543 0.000 2.102 928 F HA -0.097 4.431 4.527 0.002 0.000 0.298 928 F C 2.600 178.212 175.800 -0.313 0.000 1.105 928 F CA 1.363 59.037 58.000 -0.542 0.000 1.239 928 F CB -0.297 38.171 39.000 -0.887 0.000 0.991 928 F HN 0.259 nan 8.300 nan 0.000 0.474 929 A N -0.133 122.592 122.820 -0.160 0.000 1.940 929 A HA -0.235 4.085 4.320 0.002 0.000 0.219 929 A C 2.167 179.617 177.584 -0.223 0.000 1.176 929 A CA 2.017 53.962 52.037 -0.155 0.000 0.631 929 A CB -0.640 18.301 19.000 -0.098 0.000 0.814 929 A HN 0.448 nan 8.150 nan 0.000 0.446 930 K N -0.508 119.767 120.400 -0.209 0.000 2.155 930 K HA 0.105 4.426 4.320 0.002 0.000 0.203 930 K C 2.239 178.709 176.600 -0.218 0.000 1.052 930 K CA 0.916 57.095 56.287 -0.180 0.000 0.948 930 K CB -0.234 32.191 32.500 -0.126 0.000 0.728 930 K HN 0.432 nan 8.250 nan 0.000 0.448 931 A N 1.114 123.746 122.820 -0.314 0.000 1.898 931 A HA -0.229 4.092 4.320 0.002 0.000 0.216 931 A C 2.133 179.486 177.584 -0.384 0.000 1.181 931 A CA 1.446 53.275 52.037 -0.348 0.000 0.620 931 A CB -0.466 18.262 19.000 -0.454 0.000 0.819 931 A HN 0.357 nan 8.150 nan 0.000 0.442 932 Q N -0.798 118.689 119.800 -0.521 0.000 2.046 932 Q HA -0.162 4.179 4.340 0.002 0.000 0.200 932 Q C 1.992 177.854 176.000 -0.229 0.000 0.975 932 Q CA 1.724 57.278 55.803 -0.414 0.000 0.836 932 Q CB -0.260 28.198 28.738 -0.466 0.000 0.896 932 Q HN 0.519 nan 8.270 nan 0.000 0.428 933 L N 0.468 121.566 121.223 -0.208 0.000 2.046 933 L HA 0.020 4.361 4.340 0.002 0.000 0.208 933 L C 2.143 178.959 176.870 -0.089 0.000 1.077 933 L CA 2.366 57.125 54.840 -0.136 0.000 0.747 933 L CB -0.995 40.968 42.059 -0.160 0.000 0.896 933 L HN 0.301 nan 8.230 nan 0.000 0.432 934 G N -1.202 107.530 108.800 -0.114 0.000 2.450 934 G HA2 -0.308 3.653 3.960 0.002 0.000 0.220 934 G HA3 -0.308 3.653 3.960 0.002 0.000 0.220 934 G C 1.543 176.403 174.900 -0.066 0.000 1.130 934 G CA 0.982 46.033 45.100 -0.080 0.000 0.760 934 G HN 0.603 nan 8.290 nan 0.000 0.557 935 S N -0.566 115.080 115.700 -0.089 0.000 2.607 935 S HA 0.024 4.495 4.470 0.002 0.000 0.224 935 S C 1.093 175.680 174.600 -0.022 0.000 0.969 935 S CA 0.815 58.976 58.200 -0.065 0.000 0.927 935 S CB -0.435 62.711 63.200 -0.090 0.000 0.772 935 S HN 0.590 nan 8.310 nan 0.000 0.533 936 N N 0.316 119.011 118.700 -0.008 0.000 2.862 936 N HA -0.183 4.558 4.740 0.002 0.000 0.248 936 N C -0.390 175.152 175.510 0.054 0.000 1.116 936 N CA 0.580 53.646 53.050 0.027 0.000 0.727 936 N CB -1.582 36.919 38.487 0.024 0.000 1.083 936 N HN 0.544 nan 8.380 nan 0.000 0.555 937 S N 0.016 115.743 115.700 0.044 0.000 2.564 937 S HA 0.238 4.709 4.470 0.002 0.000 0.278 937 S C 1.322 175.974 174.600 0.087 0.000 1.333 937 S CA 0.716 58.976 58.200 0.100 0.000 1.048 937 S CB 1.020 64.202 63.200 -0.031 0.000 0.900 937 S HN 0.298 nan 8.310 nan 0.000 0.505 938 T N 3.090 117.742 114.554 0.163 0.000 3.251 938 T HA 0.279 4.630 4.350 0.002 0.000 0.259 938 T C 0.277 175.054 174.700 0.129 0.000 0.998 938 T CA -0.566 61.618 62.100 0.140 0.000 0.905 938 T CB -0.459 68.511 68.868 0.170 0.000 1.067 938 T HN 0.556 nan 8.240 nan 0.000 0.569 939 M N 3.154 122.774 119.600 0.033 0.000 2.248 939 M HA 0.269 4.750 4.480 0.002 0.000 0.345 939 M C -0.240 176.065 176.300 0.008 0.000 1.243 939 M CA -0.093 55.201 55.300 -0.011 0.000 1.090 939 M CB 0.215 32.658 32.600 -0.262 0.000 1.683 939 M HN 0.066 nan 8.290 nan 0.000 0.450 940 K N 4.277 124.698 120.400 0.034 0.000 2.238 940 K HA 0.382 4.703 4.320 0.002 0.000 0.239 940 K C -0.175 176.427 176.600 0.004 0.000 0.987 940 K CA -0.801 55.453 56.287 -0.055 0.000 0.857 940 K CB 1.270 33.597 32.500 -0.288 0.000 1.154 940 K HN 0.617 nan 8.250 nan 0.000 0.439 941 K N 0.972 121.357 120.400 -0.026 0.000 2.374 941 K HA 0.042 4.363 4.320 0.002 0.000 0.196 941 K C 0.401 176.892 176.600 -0.181 0.000 1.023 941 K CA 0.235 56.551 56.287 0.048 0.000 1.103 941 K CB 0.126 32.667 32.500 0.069 0.000 0.848 941 K HN 0.617 nan 8.250 nan 0.000 0.528 942 H N -2.163 116.612 119.070 -0.491 0.000 2.966 942 H HA 0.632 5.189 4.556 0.001 0.000 0.330 942 H C 0.111 174.960 175.328 -0.798 0.000 1.292 942 H CA -0.279 55.259 56.048 -0.851 0.000 1.127 942 H CB 1.354 30.895 29.762 -0.368 0.000 1.863 942 H HN 0.089 nan 8.280 nan 0.000 0.543 943 G N 0.432 108.910 108.800 -0.537 0.000 2.297 943 G HA2 -0.018 3.943 3.960 0.002 0.000 0.209 943 G HA3 -0.018 3.943 3.960 0.002 0.000 0.209 943 G C -1.358 173.578 174.900 0.060 0.000 1.267 943 G CA -0.453 44.565 45.100 -0.138 0.000 1.127 943 G HN 0.827 nan 8.290 nan 0.000 0.498 944 R N 0.240 120.904 120.500 0.274 0.000 2.494 944 R HA 0.725 5.066 4.340 0.002 0.000 0.305 944 R C 0.016 176.660 176.300 0.572 0.000 0.959 944 R CA 0.115 56.463 56.100 0.413 0.000 0.864 944 R CB 1.330 31.811 30.300 0.301 0.000 1.159 944 R HN 1.434 nan 8.270 nan 0.000 0.446 945 A N 4.102 127.209 122.820 0.479 0.000 2.320 945 A HA 0.554 4.875 4.320 0.002 0.000 0.334 945 A C -1.440 176.138 177.584 -0.009 0.000 1.147 945 A CA -0.760 51.439 52.037 0.270 0.000 0.820 945 A CB 1.340 20.454 19.000 0.191 0.000 1.218 945 A HN 0.628 nan 8.150 nan 0.000 0.482 946 L N 2.315 123.334 121.223 -0.341 0.000 2.319 946 L HA 0.674 5.014 4.340 0.002 0.000 0.281 946 L C -1.670 174.997 176.870 -0.339 0.000 1.005 946 L CA -0.348 54.169 54.840 -0.537 0.000 0.828 946 L CB 1.129 42.516 42.059 -1.120 0.000 1.227 946 L HN 0.471 nan 8.230 nan 0.000 0.415 947 L N 4.406 125.503 121.223 -0.210 0.000 2.307 947 L HA 0.684 5.025 4.340 0.002 0.000 0.284 947 L C 0.183 176.978 176.870 -0.125 0.000 1.023 947 L CA 0.001 54.751 54.840 -0.150 0.000 0.810 947 L CB 1.489 43.495 42.059 -0.088 0.000 1.231 947 L HN 0.679 nan 8.230 nan 0.000 0.423 948 S N 2.479 118.111 115.700 -0.113 0.000 2.423 948 S HA 0.587 5.058 4.470 0.002 0.000 0.213 948 S C -0.796 173.768 174.600 -0.059 0.000 1.131 948 S CA -0.539 57.613 58.200 -0.081 0.000 1.155 948 S CB 0.382 63.521 63.200 -0.102 0.000 1.202 948 S HN 0.460 nan 8.310 nan 0.000 0.441 949 V N 2.932 122.826 119.914 -0.034 0.000 2.994 949 V HA 0.859 4.980 4.120 0.002 0.000 0.318 949 V C -0.225 175.866 176.094 -0.005 0.000 1.085 949 V CA -1.385 60.906 62.300 -0.015 0.000 0.998 949 V CB 1.507 33.329 31.823 -0.002 0.000 1.063 949 V HN 0.828 nan 8.190 nan 0.000 0.447 950 R N 0.444 120.943 120.500 -0.000 0.000 2.528 950 R HA 0.536 4.877 4.340 0.002 0.000 0.271 950 R C 0.932 177.238 176.300 0.009 0.000 1.056 950 R CA -0.344 55.753 56.100 -0.005 0.000 1.117 950 R CB 0.458 30.747 30.300 -0.018 0.000 1.085 950 R HN 0.715 nan 8.270 nan 0.000 0.530 951 E N 2.067 122.269 120.200 0.003 0.000 2.110 951 E HA -0.230 4.121 4.350 0.002 0.000 0.225 951 E C 1.891 178.506 176.600 0.025 0.000 1.063 951 E CA 2.620 59.027 56.400 0.012 0.000 0.906 951 E CB -0.978 28.723 29.700 0.001 0.000 0.795 951 E HN 0.924 nan 8.360 nan 0.000 0.479 952 G N -0.609 108.208 108.800 0.028 0.000 2.615 952 G HA2 -0.228 3.733 3.960 0.002 0.000 0.213 952 G HA3 -0.228 3.733 3.960 0.002 0.000 0.213 952 G C 0.913 175.845 174.900 0.054 0.000 1.135 952 G CA 1.135 46.263 45.100 0.047 0.000 0.772 952 G HN 0.224 nan 8.290 nan 0.000 0.542 953 D N -0.860 119.570 120.400 0.051 0.000 2.498 953 D HA 0.105 4.746 4.640 0.002 0.000 0.223 953 D C 2.112 178.450 176.300 0.063 0.000 1.125 953 D CA -0.015 54.025 54.000 0.066 0.000 0.835 953 D CB 0.192 41.032 40.800 0.066 0.000 1.086 953 D HN 0.170 nan 8.370 nan 0.000 0.510 954 K N 0.777 121.204 120.400 0.045 0.000 2.360 954 K HA -0.120 4.201 4.320 0.002 0.000 0.201 954 K C 1.704 178.331 176.600 0.046 0.000 1.046 954 K CA 0.770 57.081 56.287 0.040 0.000 0.940 954 K CB 0.311 32.830 32.500 0.031 0.000 0.748 954 K HN 0.177 nan 8.250 nan 0.000 0.465 955 E N 0.541 120.772 120.200 0.052 0.000 2.086 955 E HA -0.065 4.286 4.350 0.002 0.000 0.190 955 E C 1.817 178.461 176.600 0.073 0.000 0.975 955 E CA 0.509 56.939 56.400 0.051 0.000 0.813 955 E CB 0.287 30.011 29.700 0.040 0.000 0.768 955 E HN 0.180 nan 8.360 nan 0.000 0.457 956 R N 0.157 120.718 120.500 0.101 0.000 2.200 956 R HA -0.009 4.332 4.340 0.002 0.000 0.208 956 R C 2.340 178.791 176.300 0.251 0.000 1.033 956 R CA 0.290 56.493 56.100 0.172 0.000 1.000 956 R CB 0.047 30.462 30.300 0.192 0.000 0.906 956 R HN 0.070 nan 8.270 nan 0.000 0.462 957 V N 0.618 120.620 119.914 0.147 0.000 2.392 957 V HA -0.232 3.889 4.120 0.002 0.000 0.249 957 V C 2.005 178.133 176.094 0.057 0.000 1.059 957 V CA 1.733 64.080 62.300 0.078 0.000 1.051 957 V CB -0.088 31.756 31.823 0.036 0.000 0.658 957 V HN 0.099 nan 8.190 nan 0.000 0.455 958 V N 0.544 120.500 119.914 0.071 0.000 2.252 958 V HA -0.298 3.822 4.120 0.002 0.000 0.249 958 V C 2.457 178.594 176.094 0.072 0.000 1.056 958 V CA 2.688 65.021 62.300 0.056 0.000 1.022 958 V CB -0.914 30.941 31.823 0.052 0.000 0.641 958 V HN 0.704 nan 8.190 nan 0.000 0.445 959 D N -0.540 119.941 120.400 0.134 0.000 2.218 959 D HA -0.148 4.493 4.640 0.002 0.000 0.204 959 D C 1.854 178.245 176.300 0.151 0.000 0.976 959 D CA 0.975 55.080 54.000 0.176 0.000 0.853 959 D CB -0.070 40.892 40.800 0.270 0.000 0.939 959 D HN 0.365 nan 8.370 nan 0.000 0.481 960 L N 0.076 121.329 121.223 0.049 0.000 2.095 960 L HA 0.188 4.529 4.340 0.002 0.000 0.204 960 L C 2.146 178.929 176.870 -0.145 0.000 1.080 960 L CA 1.709 56.389 54.840 -0.266 0.000 0.759 960 L CB -0.825 40.865 42.059 -0.615 0.000 0.914 960 L HN -0.003 nan 8.230 nan 0.000 0.439 961 A N -0.174 122.607 122.820 -0.064 0.000 1.940 961 A HA -0.130 4.191 4.320 0.002 0.000 0.219 961 A C 2.444 180.024 177.584 -0.007 0.000 1.176 961 A CA 1.830 53.847 52.037 -0.033 0.000 0.631 961 A CB -1.137 17.858 19.000 -0.008 0.000 0.814 961 A HN 0.576 nan 8.150 nan 0.000 0.446 962 A N -0.296 122.532 122.820 0.013 0.000 1.877 962 A HA -0.151 4.170 4.320 0.002 0.000 0.216 962 A C 2.102 179.702 177.584 0.028 0.000 1.186 962 A CA 1.897 53.952 52.037 0.031 0.000 0.620 962 A CB -0.463 18.564 19.000 0.045 0.000 0.822 962 A HN 0.513 nan 8.150 nan 0.000 0.443 963 K N -0.357 120.051 120.400 0.013 0.000 2.074 963 K HA -0.087 4.234 4.320 0.002 0.000 0.209 963 K C 1.781 178.372 176.600 -0.015 0.000 1.048 963 K CA 1.608 57.897 56.287 0.002 0.000 0.926 963 K CB -0.381 32.107 32.500 -0.020 0.000 0.713 963 K HN 0.493 nan 8.250 nan 0.000 0.444 964 L N 0.533 121.716 121.223 -0.066 0.000 2.217 964 L HA -0.139 4.202 4.340 0.002 0.000 0.211 964 L C 2.184 179.130 176.870 0.127 0.000 1.107 964 L CA 0.699 55.490 54.840 -0.082 0.000 0.783 964 L CB -0.297 41.620 42.059 -0.236 0.000 0.919 964 L HN 0.195 nan 8.230 nan 0.000 0.442 965 L N -0.257 121.019 121.223 0.089 0.000 2.072 965 L HA -0.187 4.154 4.340 0.002 0.000 0.205 965 L C 2.721 179.655 176.870 0.107 0.000 1.079 965 L CA 1.180 56.087 54.840 0.112 0.000 0.752 965 L CB -0.369 41.733 42.059 0.072 0.000 0.906 965 L HN 0.209 nan 8.230 nan 0.000 0.436 966 K N -0.402 120.048 120.400 0.082 0.000 2.103 966 K HA -0.224 4.097 4.320 0.002 0.000 0.207 966 K C 2.141 178.796 176.600 0.091 0.000 1.048 966 K CA 1.210 57.540 56.287 0.072 0.000 0.930 966 K CB 0.072 32.605 32.500 0.056 0.000 0.716 966 K HN 0.250 nan 8.250 nan 0.000 0.444 967 Q N -0.809 119.075 119.800 0.139 0.000 2.297 967 Q HA -0.066 4.275 4.340 0.002 0.000 0.204 967 Q C 0.853 176.947 176.000 0.156 0.000 0.962 967 Q CA 1.334 57.247 55.803 0.184 0.000 0.879 967 Q CB 0.563 29.491 28.738 0.317 0.000 0.947 967 Q HN 0.641 nan 8.270 nan 0.000 0.462 968 G N -0.347 108.547 108.800 0.156 0.000 2.141 968 G HA2 -0.209 3.752 3.960 0.002 0.000 0.164 968 G HA3 -0.209 3.752 3.960 0.002 0.000 0.164 968 G C -0.287 174.623 174.900 0.017 0.000 1.009 968 G CA -0.371 44.764 45.100 0.059 0.000 0.677 968 G HN 0.200 nan 8.290 nan 0.000 0.508 969 F N 0.874 120.853 119.950 0.048 0.000 2.378 969 F HA 0.627 5.155 4.527 0.001 0.000 0.325 969 F C 0.936 176.776 175.800 0.066 0.000 1.097 969 F CA -0.425 57.614 58.000 0.064 0.000 1.079 969 F CB 1.095 40.127 39.000 0.054 0.000 1.240 969 F HN 0.039 nan 8.300 nan 0.000 0.519 970 E N 2.165 122.535 120.200 0.282 0.000 2.204 970 E HA 0.514 4.865 4.350 0.002 0.000 0.276 970 E C -1.227 175.511 176.600 0.231 0.000 0.974 970 E CA -0.679 55.840 56.400 0.199 0.000 0.815 970 E CB 1.716 31.497 29.700 0.135 0.000 1.119 970 E HN 0.376 nan 8.360 nan 0.000 0.393 971 L N 1.999 123.319 121.223 0.162 0.000 2.334 971 L HA 0.535 4.875 4.340 0.002 0.000 0.276 971 L C -0.507 176.435 176.870 0.121 0.000 1.014 971 L CA -0.900 54.020 54.840 0.134 0.000 0.815 971 L CB 1.347 43.453 42.059 0.079 0.000 1.268 971 L HN 0.392 nan 8.230 nan 0.000 0.428 972 D N 1.116 121.580 120.400 0.108 0.000 2.457 972 D HA 0.850 5.491 4.640 0.002 0.000 0.240 972 D C -0.979 175.314 176.300 -0.011 0.000 1.041 972 D CA -0.059 53.998 54.000 0.095 0.000 0.861 972 D CB 2.411 43.353 40.800 0.237 0.000 1.394 972 D HN 0.728 nan 8.370 nan 0.000 0.473 973 A N 0.395 123.211 122.820 -0.007 0.000 2.610 973 A HA 0.704 5.024 4.320 0.002 0.000 0.291 973 A C -0.481 177.092 177.584 -0.018 0.000 1.086 973 A CA -0.787 51.228 52.037 -0.037 0.000 0.677 973 A CB 1.005 19.987 19.000 -0.030 0.000 1.278 973 A HN 0.459 nan 8.150 nan 0.000 0.414 974 T N -1.806 112.737 114.554 -0.019 0.000 2.902 974 T HA 0.459 4.810 4.350 0.002 0.000 0.280 974 T C 1.103 175.832 174.700 0.048 0.000 0.992 974 T CA 0.629 62.738 62.100 0.016 0.000 1.015 974 T CB 0.704 69.578 68.868 0.011 0.000 1.044 974 T HN 0.891 nan 8.240 nan 0.000 0.520 975 H N 1.846 120.909 119.070 -0.011 0.000 2.384 975 H HA -0.265 4.292 4.556 0.001 0.000 0.283 975 H C 2.408 177.736 175.328 0.001 0.000 1.093 975 H CA 2.991 59.038 56.048 -0.001 0.000 1.165 975 H CB -0.963 28.802 29.762 0.005 0.000 1.430 975 H HN 0.846 nan 8.280 nan 0.000 0.602 976 G N -1.923 107.044 108.800 0.278 0.000 2.469 976 G HA2 -0.321 3.640 3.960 0.002 0.000 0.220 976 G HA3 -0.321 3.640 3.960 0.002 0.000 0.220 976 G C 1.704 176.639 174.900 0.060 0.000 1.136 976 G CA 1.521 46.727 45.100 0.177 0.000 0.759 976 G HN 0.535 nan 8.290 nan 0.000 0.562 977 T N 1.521 116.095 114.554 0.034 0.000 2.737 977 T HA 0.091 4.442 4.350 0.002 0.000 0.265 977 T C 2.860 177.551 174.700 -0.015 0.000 1.038 977 T CA 1.437 63.540 62.100 0.005 0.000 1.144 977 T CB -0.456 68.407 68.868 -0.008 0.000 0.866 977 T HN 0.381 nan 8.240 nan 0.000 0.434 978 A N 1.822 124.620 122.820 -0.037 0.000 1.948 978 A HA -0.109 4.212 4.320 0.002 0.000 0.220 978 A C 2.227 179.764 177.584 -0.079 0.000 1.177 978 A CA 1.236 53.234 52.037 -0.064 0.000 0.636 978 A CB -0.799 18.144 19.000 -0.094 0.000 0.815 978 A HN 0.387 nan 8.150 nan 0.000 0.449 979 I N 0.008 120.517 120.570 -0.103 0.000 2.099 979 I HA -0.225 3.946 4.170 0.002 0.000 0.239 979 I C 2.565 178.665 176.117 -0.028 0.000 1.066 979 I CA 1.560 62.813 61.300 -0.077 0.000 1.324 979 I CB -1.507 36.470 38.000 -0.039 0.000 1.037 979 I HN 0.191 nan 8.210 nan 0.000 0.401 980 V N 0.924 120.834 119.914 -0.007 0.000 2.332 980 V HA -0.266 3.855 4.120 0.002 0.000 0.248 980 V C 2.618 178.715 176.094 0.004 0.000 1.055 980 V CA 1.552 63.855 62.300 0.006 0.000 1.038 980 V CB -0.693 31.139 31.823 0.015 0.000 0.651 980 V HN 0.330 nan 8.190 nan 0.000 0.450 981 L N 0.429 121.651 121.223 -0.002 0.000 2.056 981 L HA -0.050 4.291 4.340 0.002 0.000 0.207 981 L C 2.720 179.590 176.870 -0.000 0.000 1.078 981 L CA 1.660 56.502 54.840 0.002 0.000 0.749 981 L CB -1.195 40.863 42.059 -0.001 0.000 0.901 981 L HN 0.465 nan 8.230 nan 0.000 0.433 982 G N -0.095 108.698 108.800 -0.012 0.000 2.476 982 G HA2 -0.270 3.691 3.960 0.002 0.000 0.218 982 G HA3 -0.270 3.691 3.960 0.002 0.000 0.218 982 G C 1.341 176.239 174.900 -0.004 0.000 1.164 982 G CA 0.739 45.831 45.100 -0.013 0.000 0.768 982 G HN 0.457 nan 8.290 nan 0.000 0.560 983 E N 0.625 120.824 120.200 -0.002 0.000 2.338 983 E HA 0.050 4.401 4.350 0.002 0.000 0.197 983 E C 2.416 179.021 176.600 0.008 0.000 1.007 983 E CA 0.575 56.977 56.400 0.004 0.000 0.849 983 E CB -0.045 29.658 29.700 0.006 0.000 0.774 983 E HN 0.473 nan 8.360 nan 0.000 0.506 984 A N 0.249 123.075 122.820 0.010 0.000 2.308 984 A HA 0.381 4.702 4.320 0.002 0.000 0.217 984 A C 1.691 179.283 177.584 0.015 0.000 1.216 984 A CA 0.660 52.706 52.037 0.015 0.000 0.864 984 A CB 0.198 19.210 19.000 0.020 0.000 0.902 984 A HN 0.300 nan 8.150 nan 0.000 0.499 985 G N -0.804 108.002 108.800 0.011 0.000 2.194 985 G HA2 -0.188 3.773 3.960 0.002 0.000 0.236 985 G HA3 -0.188 3.773 3.960 0.002 0.000 0.236 985 G C 0.109 175.017 174.900 0.013 0.000 0.987 985 G CA 0.097 45.204 45.100 0.011 0.000 0.635 985 G HN 0.418 nan 8.290 nan 0.000 0.520 986 I N 1.721 122.299 120.570 0.013 0.000 2.312 986 I HA 0.245 4.416 4.170 0.002 0.000 0.291 986 I C -0.019 176.103 176.117 0.009 0.000 1.031 986 I CA -0.253 61.057 61.300 0.015 0.000 1.293 986 I CB 0.952 38.963 38.000 0.018 0.000 1.403 986 I HN 0.106 nan 8.210 nan 0.000 0.484 987 N N 8.522 127.229 118.700 0.012 0.000 2.699 987 N HA 0.322 5.063 4.740 0.002 0.000 0.232 987 N C -2.369 173.149 175.510 0.014 0.000 1.027 987 N CA -1.333 51.721 53.050 0.006 0.000 0.920 987 N CB 1.048 39.539 38.487 0.006 0.000 1.148 987 N HN 0.385 nan 8.380 nan 0.000 0.509 988 P HA 0.111 nan 4.420 nan 0.000 0.276 988 P C -0.593 176.721 177.300 0.023 0.000 1.252 988 P CA -0.483 62.630 63.100 0.023 0.000 0.802 988 P CB 1.043 32.752 31.700 0.015 0.000 1.035 989 R N 1.442 121.967 120.500 0.043 0.000 2.296 989 R HA 0.221 4.562 4.340 0.002 0.000 0.323 989 R C -0.124 176.200 176.300 0.039 0.000 1.067 989 R CA -0.633 55.493 56.100 0.043 0.000 0.946 989 R CB -0.295 30.043 30.300 0.063 0.000 0.991 989 R HN 0.337 nan 8.270 nan 0.000 0.448 990 L N 5.043 126.278 121.223 0.019 0.000 2.514 990 L HA 0.109 4.450 4.340 0.002 0.000 0.280 990 L C -0.782 176.111 176.870 0.038 0.000 1.223 990 L CA 0.727 55.575 54.840 0.015 0.000 0.864 990 L CB 1.249 43.305 42.059 -0.005 0.000 1.118 990 L HN 0.491 nan 8.230 nan 0.000 0.494 991 V N 6.199 126.138 119.914 0.042 0.000 2.638 991 V HA 0.432 4.552 4.120 0.002 0.000 0.306 991 V C -0.256 175.863 176.094 0.043 0.000 1.052 991 V CA -0.735 61.602 62.300 0.061 0.000 0.885 991 V CB 2.061 33.942 31.823 0.097 0.000 0.999 991 V HN 0.939 nan 8.190 nan 0.000 0.424 992 N N 5.170 123.897 118.700 0.045 0.000 2.488 992 N HA 0.284 5.025 4.740 0.002 0.000 0.274 992 N C -0.391 175.115 175.510 -0.006 0.000 1.111 992 N CA -0.626 52.435 53.050 0.018 0.000 0.974 992 N CB 0.732 39.233 38.487 0.023 0.000 1.089 992 N HN 0.548 nan 8.380 nan 0.000 0.465 993 K N 1.305 121.625 120.400 -0.134 0.000 2.187 993 K HA 0.027 4.348 4.320 0.002 0.000 0.247 993 K C 1.188 177.635 176.600 -0.255 0.000 1.019 993 K CA -0.148 55.994 56.287 -0.241 0.000 0.893 993 K CB 0.654 32.894 32.500 -0.434 0.000 1.025 993 K HN 0.276 nan 8.250 nan 0.000 0.500 994 V N 1.039 120.813 119.914 -0.234 0.000 2.324 994 V HA -0.279 3.842 4.120 0.002 0.000 0.250 994 V C 1.966 178.028 176.094 -0.054 0.000 1.060 994 V CA 2.360 64.533 62.300 -0.212 0.000 1.042 994 V CB -1.286 30.376 31.823 -0.268 0.000 0.650 994 V HN 0.820 nan 8.190 nan 0.000 0.450 995 H N -0.972 118.101 119.070 0.005 0.000 2.547 995 H HA 0.183 4.739 4.556 0.001 0.000 0.266 995 H C 1.849 177.197 175.328 0.034 0.000 0.988 995 H CA 0.755 56.814 56.048 0.017 0.000 1.147 995 H CB -0.307 29.451 29.762 -0.007 0.000 1.365 995 H HN 0.448 nan 8.280 nan 0.000 0.589 996 E N 0.291 120.341 120.200 -0.250 0.000 2.076 996 E HA 0.221 4.572 4.350 0.002 0.000 0.190 996 E C 1.105 177.704 176.600 -0.001 0.000 0.979 996 E CA 0.795 57.127 56.400 -0.114 0.000 0.807 996 E CB 0.290 29.874 29.700 -0.194 0.000 0.761 996 E HN 0.636 nan 8.360 nan 0.000 0.454 997 G N -0.469 108.347 108.800 0.026 0.000 2.451 997 G HA2 0.152 4.113 3.960 0.002 0.000 0.083 997 G HA3 0.152 4.113 3.960 0.002 0.000 0.083 997 G C -1.193 173.700 174.900 -0.011 0.000 1.107 997 G CA -0.816 44.299 45.100 0.025 0.000 1.117 997 G HN 0.031 nan 8.290 nan 0.000 0.454 998 R N 0.095 120.559 120.500 -0.059 0.000 2.629 998 R HA 0.573 4.914 4.340 0.002 0.000 0.266 998 R C -2.796 173.447 176.300 -0.094 0.000 1.051 998 R CA -1.075 54.938 56.100 -0.144 0.000 0.895 998 R CB 2.284 32.463 30.300 -0.201 0.000 1.246 998 R HN 0.451 nan 8.270 nan 0.000 0.459 999 P HA 0.249 nan 4.420 nan 0.000 0.281 999 P C -1.174 176.057 177.300 -0.114 0.000 1.264 999 P CA -0.530 62.441 63.100 -0.216 0.000 0.824 999 P CB 0.572 32.162 31.700 -0.183 0.000 1.092 1000 H N -0.515 118.550 119.070 -0.008 0.000 2.615 1000 H HA 0.274 4.831 4.556 0.001 0.000 0.346 1000 H C 1.083 176.425 175.328 0.023 0.000 1.200 1000 H CA -0.897 55.146 56.048 -0.008 0.000 1.264 1000 H CB 0.959 30.701 29.762 -0.033 0.000 1.699 1000 H HN 0.222 nan 8.280 nan 0.000 0.567 1001 I N -1.445 119.269 120.570 0.240 0.000 2.185 1001 I HA -0.353 3.818 4.170 0.002 0.000 0.246 1001 I C 2.388 178.629 176.117 0.208 0.000 1.088 1001 I CA 1.559 62.979 61.300 0.201 0.000 1.347 1001 I CB -0.824 37.215 38.000 0.066 0.000 1.041 1001 I HN 0.588 nan 8.210 nan 0.000 0.415 1002 Q N 1.181 121.070 119.800 0.150 0.000 2.061 1002 Q HA -0.274 4.066 4.340 0.002 0.000 0.204 1002 Q C 1.912 178.021 176.000 0.183 0.000 0.984 1002 Q CA 2.454 58.320 55.803 0.104 0.000 0.846 1002 Q CB -0.491 28.178 28.738 -0.114 0.000 0.902 1002 Q HN 0.654 nan 8.270 nan 0.000 0.421 1003 D N -0.123 120.488 120.400 0.351 0.000 2.084 1003 D HA -0.137 4.504 4.640 0.002 0.000 0.194 1003 D C 2.127 178.424 176.300 -0.006 0.000 0.990 1003 D CA 0.925 54.986 54.000 0.102 0.000 0.826 1003 D CB -0.124 40.640 40.800 -0.060 0.000 0.971 1003 D HN 0.255 nan 8.370 nan 0.000 0.453 1004 R N 0.422 120.944 120.500 0.037 0.000 2.097 1004 R HA -0.128 4.213 4.340 0.002 0.000 0.236 1004 R C 2.639 178.870 176.300 -0.116 0.000 1.135 1004 R CA 0.922 56.980 56.100 -0.070 0.000 0.934 1004 R CB -0.710 29.582 30.300 -0.012 0.000 0.846 1004 R HN 0.283 nan 8.270 nan 0.000 0.431 1005 I N 1.169 121.782 120.570 0.073 0.000 2.118 1005 I HA -0.355 3.816 4.170 0.002 0.000 0.241 1005 I C 2.747 178.727 176.117 -0.228 0.000 1.070 1005 I CA 1.621 62.962 61.300 0.069 0.000 1.327 1005 I CB -0.473 37.621 38.000 0.157 0.000 1.034 1005 I HN 0.243 nan 8.210 nan 0.000 0.405 1006 K N 1.702 121.884 120.400 -0.364 0.000 2.103 1006 K HA -0.195 4.126 4.320 0.002 0.000 0.207 1006 K C 1.005 177.266 176.600 -0.565 0.000 1.048 1006 K CA 1.992 57.769 56.287 -0.850 0.000 0.930 1006 K CB -0.266 31.940 32.500 -0.490 0.000 0.716 1006 K HN 0.444 nan 8.250 nan 0.000 0.444 1007 N N 0.078 118.599 118.700 -0.299 0.000 2.375 1007 N HA 0.104 4.845 4.740 0.002 0.000 0.220 1007 N C -0.081 175.320 175.510 -0.181 0.000 1.170 1007 N CA 0.213 53.138 53.050 -0.208 0.000 0.833 1007 N CB 0.687 39.084 38.487 -0.150 0.000 1.069 1007 N HN 0.411 nan 8.380 nan 0.000 0.479 1008 G N 1.223 109.908 108.800 -0.191 0.000 2.321 1008 G HA2 -0.326 3.635 3.960 0.002 0.000 0.287 1008 G HA3 -0.326 3.635 3.960 0.002 0.000 0.287 1008 G C 0.826 175.646 174.900 -0.134 0.000 1.018 1008 G CA 0.344 45.379 45.100 -0.107 0.000 0.855 1008 G HN 0.484 nan 8.290 nan 0.000 0.507 1009 E N -1.493 118.542 120.200 -0.276 0.000 2.152 1009 E HA -0.022 4.329 4.350 0.002 0.000 0.192 1009 E C 0.339 176.710 176.600 -0.381 0.000 0.983 1009 E CA 0.825 56.974 56.400 -0.418 0.000 0.818 1009 E CB 0.138 29.397 29.700 -0.736 0.000 0.758 1009 E HN 0.707 nan 8.360 nan 0.000 0.467 1010 Y N 0.277 120.610 120.300 0.055 0.000 2.387 1010 Y HA 0.136 4.687 4.550 0.001 0.000 0.330 1010 Y C 1.511 177.487 175.900 0.128 0.000 1.133 1010 Y CA -0.420 57.738 58.100 0.096 0.000 1.152 1010 Y CB 1.415 39.922 38.460 0.078 0.000 1.215 1010 Y HN -0.166 nan 8.280 nan 0.000 0.466 1011 T N -2.255 112.521 114.554 0.370 0.000 3.044 1011 T HA 0.259 4.610 4.350 0.002 0.000 0.260 1011 T C -0.776 174.187 174.700 0.439 0.000 1.019 1011 T CA -0.093 62.189 62.100 0.304 0.000 0.921 1011 T CB -0.307 68.650 68.868 0.148 0.000 1.053 1011 T HN 0.521 nan 8.240 nan 0.000 0.533 1012 Y N 0.098 120.554 120.300 0.260 0.000 2.521 1012 Y HA 0.612 5.163 4.550 0.002 0.000 0.326 1012 Y C -2.514 173.430 175.900 0.073 0.000 1.176 1012 Y CA -2.479 55.722 58.100 0.167 0.000 1.079 1012 Y CB 1.226 39.716 38.460 0.049 0.000 1.341 1012 Y HN 0.179 nan 8.280 nan 0.000 0.456 1013 I N 6.652 126.698 120.570 -0.873 0.000 2.569 1013 I HA 0.469 4.640 4.170 0.002 0.000 0.290 1013 I C -1.534 174.046 176.117 -0.895 0.000 1.088 1013 I CA -0.956 59.902 61.300 -0.736 0.000 1.047 1013 I CB 2.251 40.063 38.000 -0.313 0.000 1.237 1013 I HN 0.542 nan 8.210 nan 0.000 0.421 1014 I N 6.625 126.822 120.570 -0.622 0.000 2.410 1014 I HA 0.428 4.599 4.170 0.002 0.000 0.286 1014 I C -1.092 174.907 176.117 -0.197 0.000 1.009 1014 I CA 0.045 61.131 61.300 -0.356 0.000 1.111 1014 I CB 1.181 39.046 38.000 -0.225 0.000 1.262 1014 I HN 0.622 nan 8.210 nan 0.000 0.443 1015 N N 5.205 123.837 118.700 -0.113 0.000 2.519 1015 N HA 0.441 5.182 4.740 0.002 0.000 0.286 1015 N C -1.390 174.103 175.510 -0.028 0.000 1.079 1015 N CA -0.338 52.663 53.050 -0.081 0.000 0.878 1015 N CB 1.245 39.670 38.487 -0.102 0.000 1.375 1015 N HN 0.663 nan 8.380 nan 0.000 0.514 1016 T N 0.278 114.819 114.554 -0.021 0.000 2.856 1016 T HA 0.586 4.937 4.350 0.002 0.000 0.283 1016 T C -0.386 174.308 174.700 -0.011 0.000 1.008 1016 T CA -0.389 61.714 62.100 0.005 0.000 0.997 1016 T CB 1.936 70.821 68.868 0.029 0.000 0.992 1016 T HN 0.220 nan 8.240 nan 0.000 0.454 1017 T N 1.768 116.316 114.554 -0.010 0.000 2.956 1017 T HA 0.648 4.999 4.350 0.002 0.000 0.312 1017 T C -1.128 173.544 174.700 -0.047 0.000 1.151 1017 T CA -0.682 61.397 62.100 -0.035 0.000 1.024 1017 T CB 1.939 70.782 68.868 -0.042 0.000 1.140 1017 T HN 0.724 nan 8.240 nan 0.000 0.473 1018 S N 1.258 116.896 115.700 -0.104 0.000 2.672 1018 S HA 0.784 5.255 4.470 0.002 0.000 0.291 1018 S C -0.332 174.072 174.600 -0.327 0.000 1.145 1018 S CA 0.242 58.318 58.200 -0.207 0.000 1.013 1018 S CB 0.840 63.892 63.200 -0.247 0.000 1.017 1018 S HN 1.430 nan 8.310 nan 0.000 0.487 1019 G N 3.490 112.105 108.800 -0.308 0.000 3.226 1019 G HA2 -0.056 3.905 3.960 0.002 0.000 0.685 1019 G HA3 -0.056 3.905 3.960 0.002 0.000 0.685 1019 G C 0.007 174.851 174.900 -0.092 0.000 1.207 1019 G CA -0.546 44.410 45.100 -0.239 0.000 0.877 1019 G HN 0.628 nan 8.290 nan 0.000 0.585 1020 R N 0.631 121.113 120.500 -0.030 0.000 2.134 1020 R HA -0.118 4.223 4.340 0.002 0.000 0.248 1020 R C 2.735 179.019 176.300 -0.026 0.000 1.143 1020 R CA 2.525 58.620 56.100 -0.009 0.000 0.957 1020 R CB -0.230 30.083 30.300 0.022 0.000 0.867 1020 R HN 0.586 nan 8.270 nan 0.000 0.441 1021 R N -0.721 119.757 120.500 -0.037 0.000 2.061 1021 R HA -0.006 4.335 4.340 0.002 0.000 0.230 1021 R C 2.054 178.323 176.300 -0.052 0.000 1.140 1021 R CA 1.523 57.598 56.100 -0.042 0.000 0.940 1021 R CB -0.695 29.578 30.300 -0.045 0.000 0.839 1021 R HN 0.323 nan 8.270 nan 0.000 0.429 1022 A N 1.349 124.128 122.820 -0.068 0.000 1.927 1022 A HA -0.206 4.115 4.320 0.002 0.000 0.220 1022 A C 2.296 179.846 177.584 -0.057 0.000 1.185 1022 A CA 1.594 53.590 52.037 -0.068 0.000 0.639 1022 A CB -0.645 18.301 19.000 -0.091 0.000 0.820 1022 A HN 0.317 nan 8.150 nan 0.000 0.451 1023 I N -0.641 119.894 120.570 -0.058 0.000 2.113 1023 I HA -0.278 3.893 4.170 0.002 0.000 0.238 1023 I C 2.527 178.617 176.117 -0.046 0.000 1.070 1023 I CA 1.902 63.172 61.300 -0.049 0.000 1.332 1023 I CB -0.557 37.418 38.000 -0.040 0.000 1.044 1023 I HN 0.448 nan 8.210 nan 0.000 0.402 1024 E N 0.548 120.724 120.200 -0.039 0.000 2.171 1024 E HA -0.266 4.085 4.350 0.002 0.000 0.197 1024 E C 1.587 178.164 176.600 -0.038 0.000 0.997 1024 E CA 1.425 57.804 56.400 -0.036 0.000 0.810 1024 E CB -0.124 29.559 29.700 -0.027 0.000 0.738 1024 E HN 0.488 nan 8.360 nan 0.000 0.467 1025 D N -0.119 120.258 120.400 -0.038 0.000 2.162 1025 D HA -0.068 4.573 4.640 0.002 0.000 0.203 1025 D C 2.018 178.301 176.300 -0.029 0.000 0.967 1025 D CA 1.310 55.292 54.000 -0.030 0.000 0.840 1025 D CB -0.130 40.653 40.800 -0.028 0.000 0.972 1025 D HN 0.120 nan 8.370 nan 0.000 0.482 1026 S N 0.187 115.862 115.700 -0.042 0.000 2.562 1026 S HA -0.014 4.456 4.470 0.002 0.000 0.221 1026 S C 1.763 176.315 174.600 -0.079 0.000 0.975 1026 S CA -0.126 58.041 58.200 -0.056 0.000 0.918 1026 S CB 0.119 63.284 63.200 -0.059 0.000 0.772 1026 S HN 0.135 nan 8.310 nan 0.000 0.531 1027 R N 1.382 121.838 120.500 -0.073 0.000 2.153 1027 R HA -0.156 4.185 4.340 0.002 0.000 0.252 1027 R C 2.137 178.376 176.300 -0.101 0.000 1.158 1027 R CA 1.859 57.908 56.100 -0.085 0.000 0.975 1027 R CB -0.893 29.369 30.300 -0.063 0.000 0.871 1027 R HN 0.427 nan 8.270 nan 0.000 0.450 1028 V N 0.906 120.768 119.914 -0.087 0.000 2.407 1028 V HA -0.227 3.894 4.120 0.002 0.000 0.248 1028 V C 2.127 178.157 176.094 -0.107 0.000 1.055 1028 V CA 1.978 64.225 62.300 -0.088 0.000 1.049 1028 V CB -0.218 31.552 31.823 -0.088 0.000 0.662 1028 V HN 0.321 nan 8.190 nan 0.000 0.455 1029 I N 0.084 120.579 120.570 -0.125 0.000 2.179 1029 I HA -0.219 3.952 4.170 0.002 0.000 0.242 1029 I C 2.750 178.724 176.117 -0.239 0.000 1.088 1029 I CA 2.107 63.317 61.300 -0.150 0.000 1.357 1029 I CB -0.561 37.346 38.000 -0.155 0.000 1.051 1029 I HN 0.196 nan 8.210 nan 0.000 0.409 1030 R N 0.207 120.530 120.500 -0.294 0.000 2.081 1030 R HA -0.095 4.246 4.340 0.002 0.000 0.235 1030 R C 2.483 178.528 176.300 -0.426 0.000 1.131 1030 R CA 1.301 57.108 56.100 -0.489 0.000 0.960 1030 R CB -0.291 29.783 30.300 -0.376 0.000 0.856 1030 R HN 0.326 nan 8.270 nan 0.000 0.436 1031 R N -0.174 120.181 120.500 -0.242 0.000 2.081 1031 R HA -0.043 4.298 4.340 0.002 0.000 0.235 1031 R C 2.365 178.581 176.300 -0.140 0.000 1.131 1031 R CA 1.660 57.660 56.100 -0.166 0.000 0.960 1031 R CB -0.230 30.008 30.300 -0.104 0.000 0.856 1031 R HN 0.141 nan 8.270 nan 0.000 0.436 1032 S N 1.047 116.694 115.700 -0.089 0.000 2.368 1032 S HA -0.106 4.365 4.470 0.002 0.000 0.224 1032 S C 2.144 176.782 174.600 0.064 0.000 1.029 1032 S CA 1.122 59.352 58.200 0.050 0.000 0.988 1032 S CB -0.177 63.113 63.200 0.151 0.000 0.838 1032 S HN 0.458 nan 8.310 nan 0.000 0.462 1033 A N 1.213 123.974 122.820 -0.098 0.000 1.940 1033 A HA -0.079 4.242 4.320 0.002 0.000 0.219 1033 A C 2.125 179.692 177.584 -0.028 0.000 1.176 1033 A CA 1.431 53.401 52.037 -0.112 0.000 0.631 1033 A CB -0.573 18.149 19.000 -0.464 0.000 0.814 1033 A HN 0.429 nan 8.150 nan 0.000 0.446 1034 L N -0.671 120.487 121.223 -0.108 0.000 2.162 1034 L HA -0.058 4.283 4.340 0.002 0.000 0.205 1034 L C 2.492 179.353 176.870 -0.016 0.000 1.086 1034 L CA 2.303 57.171 54.840 0.046 0.000 0.778 1034 L CB -0.538 41.561 42.059 0.067 0.000 0.928 1034 L HN 0.586 nan 8.230 nan 0.000 0.446 1035 Q N -1.137 118.573 119.800 -0.149 0.000 2.084 1035 Q HA -0.241 4.100 4.340 0.002 0.000 0.202 1035 Q C 1.501 177.260 176.000 -0.403 0.000 0.978 1035 Q CA 2.043 57.639 55.803 -0.345 0.000 0.844 1035 Q CB -0.333 28.067 28.738 -0.564 0.000 0.898 1035 Q HN 0.675 nan 8.270 nan 0.000 0.426 1036 Y N 0.760 121.082 120.300 0.037 0.000 2.471 1036 Y HA 0.094 4.645 4.550 0.002 0.000 0.286 1036 Y C -0.063 175.883 175.900 0.075 0.000 1.188 1036 Y CA -0.126 58.004 58.100 0.050 0.000 1.286 1036 Y CB 0.617 39.105 38.460 0.047 0.000 1.072 1036 Y HN 0.010 nan 8.280 nan 0.000 0.517 1037 K N -1.031 119.464 120.400 0.160 0.000 3.096 1037 K HA -0.158 4.163 4.320 0.002 0.000 0.266 1037 K C -0.796 175.931 176.600 0.211 0.000 1.043 1037 K CA 0.291 56.679 56.287 0.168 0.000 0.758 1037 K CB -2.630 29.952 32.500 0.137 0.000 1.260 1037 K HN 0.152 nan 8.250 nan 0.000 0.481 1038 V N 0.964 121.024 119.914 0.242 0.000 2.481 1038 V HA 0.171 4.292 4.120 0.002 0.000 0.286 1038 V C 0.787 177.075 176.094 0.324 0.000 1.042 1038 V CA -0.826 61.636 62.300 0.268 0.000 0.928 1038 V CB 1.432 33.403 31.823 0.247 0.000 0.986 1038 V HN 0.417 nan 8.190 nan 0.000 0.462 1039 H N 4.504 123.728 119.070 0.257 0.000 2.886 1039 H HA 0.407 4.964 4.556 0.002 0.000 0.329 1039 H C -0.739 174.749 175.328 0.266 0.000 1.044 1039 H CA 0.136 56.328 56.048 0.241 0.000 1.456 1039 H CB 0.315 30.220 29.762 0.238 0.000 1.464 1039 H HN 0.657 nan 8.280 nan 0.000 0.573 1040 Y N 1.469 121.431 120.300 -0.564 0.000 2.534 1040 Y HA 0.477 5.028 4.550 0.002 0.000 0.345 1040 Y C -1.604 174.056 175.900 -0.401 0.000 1.031 1040 Y CA -1.359 56.497 58.100 -0.406 0.000 1.022 1040 Y CB 1.400 39.700 38.460 -0.266 0.000 1.292 1040 Y HN 0.432 nan 8.280 nan 0.000 0.459 1041 D N 1.315 121.612 120.400 -0.172 0.000 2.350 1041 D HA 0.310 4.951 4.640 0.002 0.000 0.245 1041 D C 0.177 176.499 176.300 0.038 0.000 1.036 1041 D CA -0.397 53.571 54.000 -0.052 0.000 0.848 1041 D CB 2.163 43.044 40.800 0.135 0.000 1.307 1041 D HN 0.792 nan 8.370 nan 0.000 0.469 1042 T N -2.800 111.790 114.554 0.061 0.000 3.129 1042 T HA 0.213 4.564 4.350 0.002 0.000 0.267 1042 T C 0.440 175.189 174.700 0.081 0.000 1.018 1042 T CA -0.263 61.891 62.100 0.089 0.000 0.903 1042 T CB -0.178 68.761 68.868 0.118 0.000 1.067 1042 T HN 0.388 nan 8.240 nan 0.000 0.549 1043 T N -0.874 113.734 114.554 0.091 0.000 2.912 1043 T HA 0.610 4.961 4.350 0.002 0.000 0.299 1043 T C 0.478 175.254 174.700 0.126 0.000 1.052 1043 T CA -0.856 61.312 62.100 0.114 0.000 0.996 1043 T CB 1.804 70.753 68.868 0.136 0.000 1.070 1043 T HN -0.075 nan 8.240 nan 0.000 0.465 1044 L N 2.142 123.453 121.223 0.146 0.000 2.141 1044 L HA 0.112 4.453 4.340 0.002 0.000 0.209 1044 L C 2.097 179.160 176.870 0.321 0.000 1.094 1044 L CA 1.571 56.529 54.840 0.196 0.000 0.763 1044 L CB -0.768 41.434 42.059 0.237 0.000 0.908 1044 L HN 0.685 nan 8.230 nan 0.000 0.437 1045 N N -0.365 118.492 118.700 0.260 0.000 2.188 1045 N HA -0.103 4.638 4.740 0.002 0.000 0.184 1045 N C 1.795 177.441 175.510 0.227 0.000 1.018 1045 N CA 1.261 54.470 53.050 0.266 0.000 0.858 1045 N CB -0.669 37.933 38.487 0.192 0.000 0.989 1045 N HN 0.433 nan 8.380 nan 0.000 0.426 1046 G N -0.000 108.909 108.800 0.182 0.000 2.404 1046 G HA2 -0.159 3.802 3.960 0.002 0.000 0.215 1046 G HA3 -0.159 3.802 3.960 0.002 0.000 0.215 1046 G C 1.613 176.586 174.900 0.121 0.000 1.174 1046 G CA 1.007 46.202 45.100 0.157 0.000 0.780 1046 G HN 0.418 nan 8.290 nan 0.000 0.537 1047 G N 0.385 109.256 108.800 0.118 0.000 2.440 1047 G HA2 -0.162 3.799 3.960 0.002 0.000 0.218 1047 G HA3 -0.162 3.799 3.960 0.002 0.000 0.218 1047 G C 1.610 176.430 174.900 -0.134 0.000 1.154 1047 G CA 0.770 45.893 45.100 0.038 0.000 0.767 1047 G HN 0.350 nan 8.290 nan 0.000 0.552 1048 F N 1.682 121.628 119.950 -0.006 0.000 2.102 1048 F HA 0.036 4.564 4.527 0.001 0.000 0.298 1048 F C 3.064 178.799 175.800 -0.110 0.000 1.105 1048 F CA 1.087 59.063 58.000 -0.040 0.000 1.239 1048 F CB -0.390 38.603 39.000 -0.011 0.000 0.991 1048 F HN 0.238 nan 8.300 nan 0.000 0.474 1049 A N -0.625 122.168 122.820 -0.044 0.000 1.902 1049 A HA -0.188 4.133 4.320 0.002 0.000 0.217 1049 A C 2.231 179.502 177.584 -0.523 0.000 1.181 1049 A CA 2.304 54.068 52.037 -0.457 0.000 0.623 1049 A CB -1.327 17.088 19.000 -0.974 0.000 0.818 1049 A HN 0.347 nan 8.150 nan 0.000 0.443 1050 T N 0.182 114.581 114.554 -0.257 0.000 2.746 1050 T HA -0.029 4.322 4.350 0.002 0.000 0.267 1050 T C 2.231 176.826 174.700 -0.174 0.000 1.039 1050 T CA 1.588 63.629 62.100 -0.097 0.000 1.142 1050 T CB -0.475 68.340 68.868 -0.087 0.000 0.866 1050 T HN 0.617 nan 8.240 nan 0.000 0.444 1051 A N 1.912 124.611 122.820 -0.203 0.000 1.873 1051 A HA -0.153 4.168 4.320 0.002 0.000 0.218 1051 A C 2.361 179.900 177.584 -0.075 0.000 1.193 1051 A CA 1.909 53.837 52.037 -0.181 0.000 0.629 1051 A CB -0.792 18.103 19.000 -0.175 0.000 0.826 1051 A HN 0.469 nan 8.150 nan 0.000 0.447 1052 M N -0.571 119.014 119.600 -0.025 0.000 2.106 1052 M HA -0.220 4.261 4.480 0.002 0.000 0.259 1052 M C 2.397 178.698 176.300 0.001 0.000 1.068 1052 M CA 1.707 57.022 55.300 0.024 0.000 1.100 1052 M CB -0.628 32.028 32.600 0.093 0.000 1.351 1052 M HN 0.495 nan 8.290 nan 0.000 0.404 1053 A N 0.127 122.936 122.820 -0.018 0.000 2.172 1053 A HA 0.000 4.321 4.320 0.002 0.000 0.216 1053 A C 2.061 179.637 177.584 -0.013 0.000 1.154 1053 A CA 0.776 52.817 52.037 0.008 0.000 0.701 1053 A CB -0.798 18.277 19.000 0.125 0.000 0.789 1053 A HN 0.467 nan 8.150 nan 0.000 0.465 1054 L N -0.723 120.486 121.223 -0.023 0.000 2.201 1054 L HA -0.182 4.159 4.340 0.002 0.000 0.212 1054 L C 1.730 178.605 176.870 0.008 0.000 1.105 1054 L CA 1.299 56.136 54.840 -0.006 0.000 0.775 1054 L CB -0.479 41.583 42.059 0.005 0.000 0.913 1054 L HN 0.495 nan 8.230 nan 0.000 0.440 1055 N N -0.401 118.304 118.700 0.008 0.000 2.515 1055 N HA 0.078 4.819 4.740 0.002 0.000 0.185 1055 N C 0.433 175.946 175.510 0.005 0.000 1.109 1055 N CA 0.148 53.207 53.050 0.014 0.000 0.903 1055 N CB 0.229 38.731 38.487 0.025 0.000 0.969 1055 N HN 0.252 nan 8.380 nan 0.000 0.450 1056 A N 0.268 123.083 122.820 -0.009 0.000 2.288 1056 A HA 0.484 4.805 4.320 0.002 0.000 0.328 1056 A C -1.099 176.462 177.584 -0.038 0.000 1.123 1056 A CA -0.484 51.540 52.037 -0.021 0.000 0.861 1056 A CB 1.051 20.032 19.000 -0.031 0.000 1.272 1056 A HN 0.047 nan 8.150 nan 0.000 0.490 1057 D N -0.254 120.116 120.400 -0.049 0.000 2.421 1057 D HA 0.510 5.151 4.640 0.002 0.000 0.254 1057 D C 0.564 176.808 176.300 -0.093 0.000 1.238 1057 D CA 0.216 54.172 54.000 -0.072 0.000 0.919 1057 D CB 1.277 42.040 40.800 -0.063 0.000 1.152 1057 D HN 0.497 nan 8.370 nan 0.000 0.552 1058 A N 2.590 125.337 122.820 -0.122 0.000 2.225 1058 A HA -0.049 4.272 4.320 0.002 0.000 0.215 1058 A C 1.695 179.187 177.584 -0.153 0.000 1.164 1058 A CA 1.662 53.617 52.037 -0.136 0.000 0.710 1058 A CB -0.447 18.458 19.000 -0.157 0.000 0.780 1058 A HN 0.574 nan 8.150 nan 0.000 0.473 1059 T N -3.924 110.527 114.554 -0.172 0.000 3.069 1059 T HA 0.150 4.500 4.350 0.002 0.000 0.252 1059 T C 1.352 175.971 174.700 -0.134 0.000 1.053 1059 T CA 0.666 62.654 62.100 -0.187 0.000 0.964 1059 T CB 0.094 68.810 68.868 -0.254 0.000 1.005 1059 T HN 0.539 nan 8.240 nan 0.000 0.532 1060 E N 1.538 121.677 120.200 -0.101 0.000 2.047 1060 E HA -0.042 4.309 4.350 0.002 0.000 0.191 1060 E C 0.699 177.265 176.600 -0.058 0.000 0.987 1060 E CA 0.728 57.087 56.400 -0.070 0.000 0.799 1060 E CB 0.200 29.870 29.700 -0.050 0.000 0.752 1060 E HN 0.501 nan 8.360 nan 0.000 0.449 1061 K N 0.075 120.442 120.400 -0.055 0.000 2.523 1061 K HA 0.279 4.599 4.320 0.002 0.000 0.257 1061 K C -1.293 175.287 176.600 -0.033 0.000 0.932 1061 K CA -0.628 55.636 56.287 -0.038 0.000 0.812 1061 K CB 2.224 34.714 32.500 -0.017 0.000 1.326 1061 K HN 0.024 nan 8.250 nan 0.000 0.433 1062 V N 1.688 121.593 119.914 -0.015 0.000 2.715 1062 V HA 0.752 4.873 4.120 0.002 0.000 0.310 1062 V C -0.578 175.592 176.094 0.127 0.000 1.054 1062 V CA -0.849 61.476 62.300 0.042 0.000 0.928 1062 V CB 1.626 33.438 31.823 -0.018 0.000 1.007 1062 V HN 0.861 nan 8.190 nan 0.000 0.437 1063 I N 2.964 123.625 120.570 0.151 0.000 2.769 1063 I HA 0.699 4.870 4.170 0.002 0.000 0.298 1063 I C 0.098 176.095 176.117 -0.200 0.000 1.128 1063 I CA -0.297 61.022 61.300 0.031 0.000 1.031 1063 I CB 2.584 40.530 38.000 -0.090 0.000 1.235 1063 I HN 1.099 nan 8.210 nan 0.000 0.423 1064 S N 4.496 119.914 115.700 -0.471 0.000 2.654 1064 S HA 0.338 4.809 4.470 0.002 0.000 0.283 1064 S C 0.887 175.180 174.600 -0.512 0.000 1.180 1064 S CA -0.692 56.985 58.200 -0.872 0.000 1.021 1064 S CB 1.869 64.486 63.200 -0.972 0.000 1.018 1064 S HN 0.475 nan 8.310 nan 0.000 0.532 1065 V N 2.108 121.722 119.914 -0.501 0.000 2.392 1065 V HA -0.202 3.919 4.120 0.002 0.000 0.249 1065 V C 2.653 178.436 176.094 -0.518 0.000 1.059 1065 V CA 2.161 64.160 62.300 -0.501 0.000 1.051 1065 V CB -1.319 30.245 31.823 -0.431 0.000 0.658 1065 V HN 0.850 nan 8.190 nan 0.000 0.455 1066 Q N 0.040 119.633 119.800 -0.346 0.000 2.084 1066 Q HA -0.197 4.144 4.340 0.002 0.000 0.202 1066 Q C 2.175 178.094 176.000 -0.135 0.000 0.978 1066 Q CA 1.752 57.435 55.803 -0.200 0.000 0.844 1066 Q CB -0.351 28.308 28.738 -0.130 0.000 0.898 1066 Q HN 0.683 nan 8.270 nan 0.000 0.426 1067 E N -0.154 119.946 120.200 -0.167 0.000 2.051 1067 E HA -0.159 4.192 4.350 0.002 0.000 0.192 1067 E C 1.919 178.479 176.600 -0.068 0.000 0.991 1067 E CA 1.146 57.485 56.400 -0.102 0.000 0.799 1067 E CB -0.073 29.556 29.700 -0.119 0.000 0.748 1067 E HN 0.323 nan 8.360 nan 0.000 0.449 1068 M N -0.384 119.122 119.600 -0.156 0.000 2.065 1068 M HA -0.210 4.271 4.480 0.002 0.000 0.259 1068 M C 2.051 178.478 176.300 0.212 0.000 1.071 1068 M CA 1.760 56.995 55.300 -0.107 0.000 1.109 1068 M CB -0.424 31.974 32.600 -0.335 0.000 1.313 1068 M HN 0.269 nan 8.290 nan 0.000 0.408 1069 H N -0.938 118.150 119.070 0.029 0.000 2.422 1069 H HA -0.073 4.484 4.556 0.002 0.000 0.298 1069 H C 2.036 177.390 175.328 0.044 0.000 1.098 1069 H CA 0.695 56.776 56.048 0.055 0.000 1.315 1069 H CB -0.072 29.701 29.762 0.019 0.000 1.382 1069 H HN 0.480 nan 8.280 nan 0.000 0.523 1070 A N 0.943 123.847 122.820 0.139 0.000 2.066 1070 A HA -0.147 4.174 4.320 0.002 0.000 0.218 1070 A C 2.040 179.674 177.584 0.083 0.000 1.157 1070 A CA 0.960 53.048 52.037 0.084 0.000 0.670 1070 A CB -0.151 18.875 19.000 0.044 0.000 0.804 1070 A HN 0.450 nan 8.150 nan 0.000 0.453 1071 Q N -0.331 119.541 119.800 0.120 0.000 2.472 1071 Q HA 0.140 4.481 4.340 0.002 0.000 0.208 1071 Q C -0.182 175.865 176.000 0.079 0.000 0.958 1071 Q CA 0.069 55.939 55.803 0.111 0.000 0.932 1071 Q CB 0.012 28.854 28.738 0.174 0.000 1.007 1071 Q HN 0.590 nan 8.270 nan 0.000 0.508 1072 I N 1.933 122.551 120.570 0.079 0.000 2.396 1072 I HA 0.101 4.272 4.170 0.002 0.000 0.289 1072 I C 0.247 176.359 176.117 -0.007 0.000 1.056 1072 I CA -0.185 61.120 61.300 0.008 0.000 1.365 1072 I CB 0.687 38.683 38.000 -0.008 0.000 1.407 1072 I HN -0.114 nan 8.210 nan 0.000 0.509 1073 K N 0.000 120.383 120.400 -0.028 0.000 2.780 1073 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1073 K CA 0.000 56.273 56.287 -0.024 0.000 0.838 1073 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 1073 K HN 0.000 nan 8.250 nan 0.000 0.543