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 2xex_1_B DATA FIRST_RESID 2 DATA SEQUENCE AREFSLEKTR NIGIMAHIDA GKTTTTERIL YYTGRIHKIG XXXXGASQMD DATA SEQUENCE WMEQEXXXXX XXXSAATTAA WEGHRVNIID TPGHVDFTVE VERSLRVLDG DATA SEQUENCE AVTVLDAQSG VEPQTETVWR QATTYGVPRI VFVNKMDKLG ANFEYSVSTL DATA SEQUENCE HDRLQANAAP IQLPIGAEDE FEAIIDLVEM KCFKYTNDLG TEIEEIEIPE DATA SEQUENCE DHLDRAEEAR ASLIEAVAET SDELMEKYLG DEEISVSELK EAIRQATTNV DATA SEQUENCE EFYPVLCGTA FKNKGVQLML DAVIDYLPSP LDVKPIIGHR ASNPEEEVIA DATA SEQUENCE KADDSAEFAA LAFKVMTDPY VGKLTFFRVY SGTMTSGSYV KNSTKGKRER DATA SEQUENCE VGRLLQMHAN SRQEIDTVYS GDIAAAVGLK DTGTGDTLCG EKNDIILESM DATA SEQUENCE EFPEPVIHLS VEPKSKADQD KMTQALVKLQ EEDPTFHAHT XXXXXQVIIG DATA SEQUENCE GMGELHLDIL VDRMKKEFNV ECNVGAPMVS YRETFKSSAQ VQGKFSRQSG DATA SEQUENCE GRGQYGDVHI EFTPNETGAG FEFENAIVGG VVPREYIPSV EAGLKDAMEN DATA SEQUENCE GVLAGYPLID VKAKLYDGSY HDVDSSEMAF KIAASLALKE AAKKCDPVIL DATA SEQUENCE EPMMKVTIEM PEEYMGDIMG DVTSRRGRVD GMEPRGNAQV VNAYVPLSEM DATA SEQUENCE FGYATSLRSN TQGRGTYTMY FDHYAEVPKS IAEDIIKKNK GE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.503 177.584 -0.136 0.000 1.274 2 A CA 0.000 52.044 52.037 0.012 0.000 0.836 2 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 3 R N 1.754 121.950 120.500 -0.507 0.000 2.522 3 R HA 0.166 4.475 4.340 -0.053 0.000 0.284 3 R C 0.421 176.538 176.300 -0.305 0.000 1.032 3 R CA 0.580 56.284 56.100 -0.660 0.000 1.049 3 R CB 0.750 30.376 30.300 -1.124 0.000 0.956 3 R HN 0.909 nan 8.270 nan 0.000 0.422 4 E N 2.595 122.670 120.200 -0.209 0.000 2.107 4 E HA -0.048 4.270 4.350 -0.053 0.000 0.191 4 E C -0.559 175.708 176.600 -0.554 0.000 0.982 4 E CA 0.622 56.817 56.400 -0.342 0.000 0.809 4 E CB 0.176 29.690 29.700 -0.310 0.000 0.756 4 E HN 0.583 nan 8.360 nan 0.000 0.459 5 F N 0.957 120.845 119.950 -0.104 0.000 2.467 5 F HA 0.235 4.732 4.527 -0.051 0.000 0.336 5 F C 0.351 176.074 175.800 -0.128 0.000 1.123 5 F CA -1.042 56.896 58.000 -0.104 0.000 0.964 5 F CB 1.780 40.742 39.000 -0.063 0.000 1.136 5 F HN -0.108 nan 8.300 nan 0.000 0.447 6 S N 2.859 118.571 115.700 0.019 0.000 2.608 6 S HA 0.253 4.691 4.470 -0.053 0.000 0.261 6 S C 1.253 175.859 174.600 0.010 0.000 1.314 6 S CA -0.709 57.474 58.200 -0.028 0.000 0.992 6 S CB 0.699 63.870 63.200 -0.048 0.000 0.935 6 S HN 0.739 nan 8.310 nan 0.000 0.564 7 L N 0.565 121.792 121.223 0.007 0.000 1.990 7 L HA -0.184 4.125 4.340 -0.053 0.000 0.213 7 L C 2.810 179.699 176.870 0.032 0.000 1.072 7 L CA 1.967 56.825 54.840 0.030 0.000 0.755 7 L CB -0.727 41.354 42.059 0.037 0.000 0.889 7 L HN 0.742 nan 8.230 nan 0.000 0.432 8 E N -0.071 120.140 120.200 0.020 0.000 2.160 8 E HA -0.190 4.128 4.350 -0.053 0.000 0.195 8 E C 1.297 177.916 176.600 0.032 0.000 0.991 8 E CA 1.104 57.522 56.400 0.030 0.000 0.810 8 E CB 0.015 29.726 29.700 0.017 0.000 0.742 8 E HN 0.295 nan 8.360 nan 0.000 0.466 9 K N 0.325 120.700 120.400 -0.042 0.000 2.684 9 K HA 0.163 4.451 4.320 -0.053 0.000 0.215 9 K C -0.624 175.982 176.600 0.010 0.000 1.073 9 K CA 0.042 56.215 56.287 -0.191 0.000 1.197 9 K CB 0.781 33.046 32.500 -0.392 0.000 0.955 9 K HN -0.060 nan 8.250 nan 0.000 0.473 10 T N 0.970 115.566 114.554 0.070 0.000 2.856 10 T HA 0.410 4.728 4.350 -0.053 0.000 0.283 10 T C -0.504 174.233 174.700 0.061 0.000 1.008 10 T CA -0.823 61.302 62.100 0.042 0.000 0.997 10 T CB 1.452 70.336 68.868 0.027 0.000 0.992 10 T HN -0.015 nan 8.240 nan 0.000 0.454 11 R N 3.021 123.536 120.500 0.025 0.000 2.507 11 R HA 0.315 4.623 4.340 -0.053 0.000 0.298 11 R C -1.072 175.215 176.300 -0.022 0.000 1.087 11 R CA -0.543 55.566 56.100 0.014 0.000 0.917 11 R CB 1.001 31.309 30.300 0.014 0.000 1.173 11 R HN 0.656 nan 8.270 nan 0.000 0.472 12 N N 3.727 122.412 118.700 -0.025 0.000 2.439 12 N HA 0.397 5.105 4.740 -0.053 0.000 0.249 12 N C 0.019 175.500 175.510 -0.048 0.000 1.003 12 N CA -0.324 52.698 53.050 -0.047 0.000 0.942 12 N CB 1.115 39.567 38.487 -0.058 0.000 1.115 12 N HN 0.490 nan 8.380 nan 0.000 0.505 13 I N -1.671 118.865 120.570 -0.056 0.000 2.892 13 I HA 0.867 5.005 4.170 -0.053 0.000 0.306 13 I C 0.029 176.109 176.117 -0.061 0.000 1.078 13 I CA -1.134 60.134 61.300 -0.053 0.000 1.032 13 I CB 2.132 40.101 38.000 -0.052 0.000 1.229 13 I HN 0.331 nan 8.210 nan 0.000 0.435 14 G N 3.793 112.560 108.800 -0.054 0.000 2.537 14 G HA2 0.697 4.626 3.960 -0.053 0.000 0.308 14 G HA3 0.697 4.626 3.960 -0.053 0.000 0.308 14 G C -1.040 173.839 174.900 -0.035 0.000 1.237 14 G CA -0.653 44.417 45.100 -0.050 0.000 0.968 14 G HN 0.429 nan 8.290 nan 0.000 0.481 15 I N 1.283 121.839 120.570 -0.024 0.000 2.382 15 I HA 0.320 4.458 4.170 -0.053 0.000 0.285 15 I C -0.078 176.047 176.117 0.014 0.000 1.007 15 I CA -0.672 60.623 61.300 -0.008 0.000 1.142 15 I CB 1.203 39.196 38.000 -0.012 0.000 1.289 15 I HN 0.329 nan 8.210 nan 0.000 0.453 16 M N 5.945 125.564 119.600 0.033 0.000 2.080 16 M HA 0.641 5.090 4.480 -0.053 0.000 0.350 16 M C -0.229 176.120 176.300 0.080 0.000 1.143 16 M CA -0.214 55.119 55.300 0.054 0.000 1.064 16 M CB 1.433 34.068 32.600 0.057 0.000 1.429 16 M HN 0.669 nan 8.290 nan 0.000 0.418 17 A N 2.219 125.087 122.820 0.080 0.000 2.456 17 A HA 0.383 4.671 4.320 -0.053 0.000 0.288 17 A C -1.243 176.413 177.584 0.121 0.000 1.042 17 A CA -0.692 51.403 52.037 0.097 0.000 0.738 17 A CB 0.809 19.853 19.000 0.074 0.000 1.266 17 A HN 0.858 nan 8.150 nan 0.000 0.407 18 H N 2.606 121.684 119.070 0.014 0.000 2.790 18 H HA 0.230 4.763 4.556 -0.039 0.000 0.358 18 H C 0.834 176.158 175.328 -0.007 0.000 1.103 18 H CA 0.061 56.109 56.048 0.001 0.000 1.426 18 H CB 0.693 30.453 29.762 -0.004 0.000 1.424 18 H HN 0.670 nan 8.280 nan 0.000 0.599 19 I N 2.606 122.990 120.570 -0.309 0.000 2.208 19 I HA -0.301 3.837 4.170 -0.053 0.000 0.245 19 I C 1.505 177.479 176.117 -0.239 0.000 1.097 19 I CA 1.247 62.397 61.300 -0.249 0.000 1.363 19 I CB -0.251 37.600 38.000 -0.249 0.000 1.051 19 I HN 0.670 nan 8.210 nan 0.000 0.413 20 D N 0.928 121.095 120.400 -0.387 0.000 2.263 20 D HA -0.106 4.502 4.640 -0.053 0.000 0.208 20 D C 1.893 178.168 176.300 -0.042 0.000 0.971 20 D CA 1.098 54.997 54.000 -0.168 0.000 0.867 20 D CB -0.007 40.736 40.800 -0.096 0.000 0.929 20 D HN 0.344 nan 8.370 nan 0.000 0.492 21 A N -0.479 122.346 122.820 0.007 0.000 2.251 21 A HA 0.449 4.737 4.320 -0.053 0.000 0.209 21 A C 1.473 179.065 177.584 0.014 0.000 1.187 21 A CA 0.748 52.803 52.037 0.030 0.000 0.823 21 A CB -0.112 18.931 19.000 0.073 0.000 0.846 21 A HN 0.196 nan 8.150 nan 0.000 0.486 22 G N 0.355 109.147 108.800 -0.013 0.000 2.255 22 G HA2 -0.260 3.669 3.960 -0.053 0.000 0.239 22 G HA3 -0.260 3.669 3.960 -0.053 0.000 0.239 22 G C 0.692 175.603 174.900 0.019 0.000 1.083 22 G CA 0.652 45.748 45.100 -0.007 0.000 0.826 22 G HN 0.622 nan 8.290 nan 0.000 0.493 23 K N -0.550 119.852 120.400 0.003 0.000 2.044 23 K HA -0.176 4.112 4.320 -0.053 0.000 0.210 23 K C 2.473 179.078 176.600 0.009 0.000 1.049 23 K CA 2.411 58.705 56.287 0.012 0.000 0.927 23 K CB -0.359 32.139 32.500 -0.003 0.000 0.713 23 K HN 0.400 nan 8.250 nan 0.000 0.443 24 T N 0.232 114.781 114.554 -0.009 0.000 2.701 24 T HA -0.102 4.216 4.350 -0.053 0.000 0.263 24 T C 1.938 176.651 174.700 0.022 0.000 1.040 24 T CA 1.900 63.995 62.100 -0.007 0.000 1.147 24 T CB -0.585 68.264 68.868 -0.031 0.000 0.865 24 T HN 0.351 nan 8.240 nan 0.000 0.426 25 T N 2.038 116.612 114.554 0.033 0.000 2.746 25 T HA -0.111 4.208 4.350 -0.053 0.000 0.267 25 T C 2.322 177.075 174.700 0.090 0.000 1.039 25 T CA 1.675 63.829 62.100 0.090 0.000 1.142 25 T CB -0.748 68.192 68.868 0.119 0.000 0.866 25 T HN 0.408 nan 8.240 nan 0.000 0.444 26 T N 2.005 116.600 114.554 0.068 0.000 2.708 26 T HA -0.115 4.203 4.350 -0.053 0.000 0.266 26 T C 2.309 177.007 174.700 -0.004 0.000 1.037 26 T CA 1.737 63.857 62.100 0.034 0.000 1.146 26 T CB -0.738 68.168 68.868 0.064 0.000 0.865 26 T HN 0.450 nan 8.240 nan 0.000 0.435 27 T N 1.979 116.546 114.554 0.022 0.000 2.746 27 T HA -0.117 4.202 4.350 -0.053 0.000 0.267 27 T C 1.900 176.663 174.700 0.105 0.000 1.039 27 T CA 1.106 63.227 62.100 0.035 0.000 1.142 27 T CB -0.254 68.634 68.868 0.034 0.000 0.866 27 T HN 0.346 nan 8.240 nan 0.000 0.444 28 E N 1.477 121.758 120.200 0.136 0.000 2.085 28 E HA -0.192 4.127 4.350 -0.053 0.000 0.194 28 E C 2.351 179.164 176.600 0.356 0.000 0.994 28 E CA 1.049 57.611 56.400 0.271 0.000 0.801 28 E CB -0.079 29.725 29.700 0.174 0.000 0.743 28 E HN 0.259 nan 8.360 nan 0.000 0.453 29 R N 0.227 120.838 120.500 0.185 0.000 2.075 29 R HA -0.038 4.270 4.340 -0.053 0.000 0.232 29 R C 2.629 178.970 176.300 0.067 0.000 1.126 29 R CA 0.838 57.019 56.100 0.135 0.000 0.963 29 R CB -0.780 29.472 30.300 -0.080 0.000 0.858 29 R HN 0.337 nan 8.270 nan 0.000 0.435 30 I N 0.954 121.494 120.570 -0.050 0.000 2.179 30 I HA -0.288 3.850 4.170 -0.053 0.000 0.242 30 I C 2.357 178.495 176.117 0.035 0.000 1.088 30 I CA 1.183 62.411 61.300 -0.120 0.000 1.357 30 I CB -0.322 37.584 38.000 -0.157 0.000 1.051 30 I HN 0.054 nan 8.210 nan 0.000 0.409 31 L N -0.641 120.663 121.223 0.136 0.000 2.042 31 L HA -0.290 4.019 4.340 -0.053 0.000 0.210 31 L C 2.675 179.585 176.870 0.067 0.000 1.076 31 L CA 1.687 56.624 54.840 0.162 0.000 0.749 31 L CB -0.858 41.416 42.059 0.358 0.000 0.893 31 L HN 0.255 nan 8.230 nan 0.000 0.432 32 Y N -0.341 119.967 120.300 0.014 0.000 2.097 32 Y HA -0.341 4.178 4.550 -0.052 0.000 0.282 32 Y C 2.545 178.449 175.900 0.008 0.000 1.152 32 Y CA 1.825 59.843 58.100 -0.136 0.000 1.136 32 Y CB -0.393 38.128 38.460 0.102 0.000 0.975 32 Y HN 0.015 nan 8.280 nan 0.000 0.498 33 Y N -0.263 120.073 120.300 0.059 0.000 2.293 33 Y HA -0.150 4.368 4.550 -0.053 0.000 0.291 33 Y C 2.685 178.648 175.900 0.105 0.000 1.137 33 Y CA 1.664 59.787 58.100 0.038 0.000 1.202 33 Y CB -1.082 37.319 38.460 -0.098 0.000 0.990 33 Y HN 0.294 nan 8.280 nan 0.000 0.537 34 T N -4.165 110.501 114.554 0.187 0.000 3.144 34 T HA 0.265 4.584 4.350 -0.053 0.000 0.249 34 T C 1.570 176.327 174.700 0.093 0.000 1.089 34 T CA 0.555 62.774 62.100 0.197 0.000 0.989 34 T CB -0.130 68.793 68.868 0.091 0.000 0.992 34 T HN 0.269 nan 8.240 nan 0.000 0.540 35 G N 1.321 110.118 108.800 -0.003 0.000 3.596 35 G HA2 0.324 4.253 3.960 -0.053 0.000 0.274 35 G HA3 0.324 4.253 3.960 -0.053 0.000 0.274 35 G C 0.345 175.173 174.900 -0.119 0.000 1.007 35 G CA -0.912 44.151 45.100 -0.062 0.000 0.825 35 G HN 0.425 nan 8.290 nan 0.000 0.508 36 R N -0.637 119.790 120.500 -0.122 0.000 3.741 36 R HA -0.212 4.096 4.340 -0.053 0.000 0.292 36 R C 1.176 177.321 176.300 -0.258 0.000 1.176 36 R CA 1.041 57.050 56.100 -0.152 0.000 0.794 36 R CB -2.495 27.755 30.300 -0.083 0.000 1.213 36 R HN 0.503 nan 8.270 nan 0.000 0.494 37 I N -1.057 119.241 120.570 -0.454 0.000 2.716 37 I HA -0.076 4.062 4.170 -0.053 0.000 0.259 37 I C 1.438 177.217 176.117 -0.563 0.000 1.172 37 I CA 0.137 61.097 61.300 -0.566 0.000 1.478 37 I CB -0.200 37.253 38.000 -0.911 0.000 1.104 37 I HN 0.240 nan 8.210 nan 0.000 0.439 38 H N 3.840 122.410 119.070 -0.833 0.000 3.004 38 H HA 0.068 4.591 4.556 -0.054 0.000 0.316 38 H C -0.067 175.130 175.328 -0.217 0.000 1.014 38 H CA 0.279 55.983 56.048 -0.572 0.000 1.454 38 H CB 0.423 29.889 29.762 -0.494 0.000 1.472 38 H HN -0.158 nan 8.280 nan 0.000 0.571 39 K N 6.593 126.663 120.400 -0.551 0.000 2.268 39 K HA 0.174 4.462 4.320 -0.053 0.000 0.276 39 K C -0.247 176.018 176.600 -0.558 0.000 1.080 39 K CA -0.473 55.575 56.287 -0.397 0.000 0.910 39 K CB 0.264 32.653 32.500 -0.185 0.000 1.163 39 K HN 0.604 nan 8.250 nan 0.000 0.465 40 I N 2.194 122.547 120.570 -0.362 0.000 2.598 40 I HA 0.055 4.193 4.170 -0.053 0.000 0.284 40 I C 1.211 177.263 176.117 -0.108 0.000 1.140 40 I CA 1.153 62.341 61.300 -0.187 0.000 1.420 40 I CB 0.173 38.144 38.000 -0.049 0.000 1.387 40 I HN 0.788 nan 8.210 nan 0.000 0.553 47 A N 0.200 123.128 122.820 0.179 0.000 1.978 47 A HA 0.079 4.368 4.320 -0.053 0.000 0.220 47 A C 2.545 180.183 177.584 0.089 0.000 1.170 47 A CA 3.025 55.180 52.037 0.196 0.000 0.636 47 A CB -0.920 18.169 19.000 0.149 0.000 0.810 47 A HN 1.359 nan 8.150 nan 0.000 0.448 48 S N -0.640 115.092 115.700 0.053 0.000 2.420 48 S HA -0.291 4.147 4.470 -0.053 0.000 0.237 48 S C 2.024 176.651 174.600 0.046 0.000 1.023 48 S CA 1.735 59.960 58.200 0.042 0.000 0.991 48 S CB -0.513 62.709 63.200 0.036 0.000 0.792 48 S HN 0.685 nan 8.310 nan 0.000 0.488 49 Q N -0.203 119.603 119.800 0.010 0.000 2.182 49 Q HA -0.212 4.096 4.340 -0.053 0.000 0.213 49 Q C 1.688 177.734 176.000 0.076 0.000 1.000 49 Q CA 2.013 57.802 55.803 -0.024 0.000 0.889 49 Q CB -0.316 28.359 28.738 -0.105 0.000 0.932 49 Q HN 0.674 nan 8.270 nan 0.000 0.415 50 M N -0.098 119.534 119.600 0.052 0.000 2.453 50 M HA 0.035 4.483 4.480 -0.053 0.000 0.239 50 M C 0.295 176.496 176.300 -0.166 0.000 1.151 50 M CA -0.052 55.218 55.300 -0.051 0.000 0.989 50 M CB 0.409 32.970 32.600 -0.064 0.000 1.548 50 M HN -0.071 nan 8.290 nan 0.000 0.479 51 D N 1.219 121.628 120.400 0.014 0.000 2.219 51 D HA -0.148 4.460 4.640 -0.053 0.000 0.205 51 D C 1.940 178.264 176.300 0.041 0.000 0.970 51 D CA 1.123 55.134 54.000 0.019 0.000 0.851 51 D CB -0.157 40.688 40.800 0.074 0.000 0.943 51 D HN 0.639 nan 8.370 nan 0.000 0.488 52 W N 0.537 121.893 121.300 0.094 0.000 2.350 52 W HA -0.115 4.527 4.660 -0.030 0.000 0.289 52 W C 1.697 178.270 176.519 0.089 0.000 1.215 52 W CA 0.383 57.789 57.345 0.103 0.000 1.236 52 W CB -1.116 28.438 29.460 0.157 0.000 1.130 52 W HN -0.023 nan 8.180 nan 0.000 0.541 53 M N 0.929 119.984 119.600 -0.910 0.000 2.476 53 M HA 0.016 4.465 4.480 -0.053 0.000 0.262 53 M C 1.005 177.049 176.300 -0.426 0.000 1.111 53 M CA 1.307 55.970 55.300 -1.061 0.000 1.127 53 M CB 0.021 31.672 32.600 -1.583 0.000 1.376 53 M HN -0.159 nan 8.290 nan 0.000 0.465 54 E N -0.212 119.820 120.200 -0.280 0.000 2.437 54 E HA -0.028 4.290 4.350 -0.053 0.000 0.189 54 E C 1.219 177.780 176.600 -0.065 0.000 1.054 54 E CA 0.067 56.382 56.400 -0.141 0.000 0.874 54 E CB 0.325 29.959 29.700 -0.111 0.000 1.011 54 E HN 0.573 nan 8.360 nan 0.000 0.474 55 Q N -0.119 119.657 119.800 -0.041 0.000 2.376 55 Q HA 0.075 4.383 4.340 -0.053 0.000 0.206 55 Q C 0.371 176.388 176.000 0.028 0.000 0.921 55 Q CA 0.422 56.234 55.803 0.014 0.000 0.911 55 Q CB 0.583 29.354 28.738 0.054 0.000 1.032 55 Q HN 0.155 nan 8.270 nan 0.000 0.510 66 A N 1.969 124.523 122.820 -0.443 0.000 1.940 66 A HA 0.683 4.972 4.320 -0.053 0.000 0.219 66 A C 1.180 178.615 177.584 -0.248 0.000 1.176 66 A CA 1.534 53.250 52.037 -0.535 0.000 0.631 66 A CB -0.662 17.578 19.000 -1.266 0.000 0.814 66 A HN 1.830 nan 8.150 nan 0.000 0.446 67 A N -2.112 120.567 122.820 -0.235 0.000 2.517 67 A HA 0.585 4.873 4.320 -0.053 0.000 0.297 67 A C -0.542 177.092 177.584 0.084 0.000 1.050 67 A CA -0.258 51.801 52.037 0.037 0.000 0.694 67 A CB 0.820 19.959 19.000 0.232 0.000 1.277 67 A HN 0.104 nan 8.150 nan 0.000 0.400 68 T N 2.325 116.906 114.554 0.047 0.000 2.771 68 T HA 0.522 4.840 4.350 -0.053 0.000 0.281 68 T C 0.084 174.757 174.700 -0.045 0.000 0.982 68 T CA -0.054 62.067 62.100 0.034 0.000 0.978 68 T CB 1.092 69.991 68.868 0.051 0.000 0.930 68 T HN 0.616 nan 8.240 nan 0.000 0.447 69 T N 3.480 117.948 114.554 -0.144 0.000 2.794 69 T HA 0.626 4.944 4.350 -0.053 0.000 0.296 69 T C 0.218 174.701 174.700 -0.361 0.000 0.949 69 T CA -0.388 61.531 62.100 -0.302 0.000 1.101 69 T CB 0.652 69.207 68.868 -0.521 0.000 0.905 69 T HN 0.821 nan 8.240 nan 0.000 0.516 70 A N 2.214 124.902 122.820 -0.220 0.000 2.534 70 A HA 1.007 5.296 4.320 -0.053 0.000 0.300 70 A C -1.454 176.065 177.584 -0.108 0.000 1.223 70 A CA -0.675 51.297 52.037 -0.107 0.000 0.666 70 A CB 1.123 20.096 19.000 -0.044 0.000 1.316 70 A HN 1.150 nan 8.150 nan 0.000 0.468 71 A N -0.857 121.956 122.820 -0.010 0.000 2.594 71 A HA 0.732 5.021 4.320 -0.053 0.000 0.295 71 A C -1.735 175.969 177.584 0.200 0.000 1.071 71 A CA -0.153 51.877 52.037 -0.011 0.000 0.685 71 A CB 1.106 20.113 19.000 0.010 0.000 1.285 71 A HN 1.788 nan 8.150 nan 0.000 0.405 72 W N 1.781 123.063 121.300 -0.031 0.000 3.544 72 W HA 0.373 5.004 4.660 -0.049 0.000 0.326 72 W C -0.765 175.779 176.519 0.042 0.000 1.137 72 W CA -0.185 57.157 57.345 -0.005 0.000 1.252 72 W CB 1.221 30.655 29.460 -0.043 0.000 1.302 72 W HN 0.944 nan 8.180 nan 0.000 0.467 73 E N 2.914 122.857 120.200 -0.429 0.000 2.228 73 E HA -0.203 4.115 4.350 -0.053 0.000 0.213 73 E C 0.893 177.558 176.600 0.109 0.000 1.282 73 E CA 1.880 58.117 56.400 -0.271 0.000 0.707 73 E CB -1.445 28.059 29.700 -0.328 0.000 1.150 73 E HN 1.077 nan 8.360 nan 0.000 0.362 74 G N 0.221 109.104 108.800 0.139 0.000 2.155 74 G HA2 -0.334 3.594 3.960 -0.053 0.000 0.257 74 G HA3 -0.334 3.594 3.960 -0.053 0.000 0.257 74 G C 0.080 175.182 174.900 0.335 0.000 0.983 74 G CA 0.839 46.089 45.100 0.250 0.000 0.676 74 G HN 0.611 nan 8.290 nan 0.000 0.528 75 H N -0.742 118.400 119.070 0.121 0.000 2.524 75 H HA 0.510 5.034 4.556 -0.053 0.000 0.353 75 H C 0.453 175.544 175.328 -0.396 0.000 1.136 75 H CA -1.031 55.015 56.048 -0.003 0.000 1.193 75 H CB 1.606 31.381 29.762 0.022 0.000 1.558 75 H HN 0.188 nan 8.280 nan 0.000 0.515 76 R N 1.895 122.025 120.500 -0.615 0.000 2.401 76 R HA 0.181 4.489 4.340 -0.053 0.000 0.299 76 R C -1.488 174.669 176.300 -0.238 0.000 1.064 76 R CA -0.111 55.568 56.100 -0.702 0.000 1.000 76 R CB -0.021 29.897 30.300 -0.636 0.000 0.973 76 R HN 0.311 nan 8.270 nan 0.000 0.438 77 V N 5.761 125.562 119.914 -0.189 0.000 2.407 77 V HA 0.337 4.425 4.120 -0.053 0.000 0.291 77 V C -0.566 175.467 176.094 -0.102 0.000 1.018 77 V CA -0.825 61.418 62.300 -0.095 0.000 0.842 77 V CB 1.679 33.473 31.823 -0.048 0.000 0.996 77 V HN 0.899 nan 8.190 nan 0.000 0.426 78 N N 4.608 123.259 118.700 -0.081 0.000 2.437 78 N HA 0.599 5.308 4.740 -0.053 0.000 0.259 78 N C -0.963 174.513 175.510 -0.056 0.000 0.983 78 N CA -0.520 52.489 53.050 -0.068 0.000 0.937 78 N CB 1.684 40.138 38.487 -0.055 0.000 1.122 78 N HN 0.547 nan 8.380 nan 0.000 0.499 79 I N 3.596 124.140 120.570 -0.043 0.000 2.306 79 I HA 0.280 4.419 4.170 -0.053 0.000 0.288 79 I C -0.375 175.725 176.117 -0.029 0.000 1.036 79 I CA -0.203 61.075 61.300 -0.037 0.000 1.221 79 I CB 0.488 38.473 38.000 -0.024 0.000 1.385 79 I HN 0.380 nan 8.210 nan 0.000 0.472 80 I N 5.155 125.694 120.570 -0.052 0.000 2.336 80 I HA 0.205 4.344 4.170 -0.053 0.000 0.292 80 I C 0.180 176.261 176.117 -0.059 0.000 0.991 80 I CA -0.596 60.663 61.300 -0.068 0.000 1.227 80 I CB 1.218 39.128 38.000 -0.149 0.000 1.366 80 I HN 0.481 nan 8.210 nan 0.000 0.466 81 D N 4.633 125.009 120.400 -0.039 0.000 2.424 81 D HA 0.124 4.732 4.640 -0.053 0.000 0.244 81 D C -0.234 176.043 176.300 -0.038 0.000 1.134 81 D CA 0.173 54.155 54.000 -0.031 0.000 0.881 81 D CB 0.803 41.586 40.800 -0.030 0.000 1.191 81 D HN 0.585 nan 8.370 nan 0.000 0.445 82 T N 1.601 116.138 114.554 -0.028 0.000 2.824 82 T HA 0.613 4.931 4.350 -0.053 0.000 0.280 82 T C -2.386 172.313 174.700 -0.002 0.000 0.995 82 T CA -1.857 60.226 62.100 -0.028 0.000 1.009 82 T CB 1.376 70.230 68.868 -0.023 0.000 0.955 82 T HN 0.140 nan 8.240 nan 0.000 0.452 83 P HA 0.297 nan 4.420 nan 0.000 0.266 83 P C 0.562 177.909 177.300 0.078 0.000 1.195 83 P CA -0.237 62.898 63.100 0.057 0.000 0.768 83 P CB 0.214 31.941 31.700 0.046 0.000 0.838 84 G N 1.102 109.952 108.800 0.083 0.000 3.860 84 G HA2 0.134 4.063 3.960 -0.053 0.000 0.269 84 G HA3 0.134 4.063 3.960 -0.053 0.000 0.269 84 G C -0.472 174.438 174.900 0.016 0.000 1.112 84 G CA -0.003 45.125 45.100 0.047 0.000 1.674 84 G HN 0.512 nan 8.290 nan 0.000 0.628 85 H N -0.260 118.814 119.070 0.005 0.000 2.467 85 H HA 0.288 4.816 4.556 -0.047 0.000 0.331 85 H C 1.324 176.672 175.328 0.033 0.000 1.120 85 H CA -0.401 55.653 56.048 0.009 0.000 1.270 85 H CB 2.349 32.098 29.762 -0.021 0.000 1.466 85 H HN -0.005 nan 8.280 nan 0.000 0.504 86 V N 1.014 120.987 119.914 0.098 0.000 3.129 86 V HA -0.019 4.069 4.120 -0.053 0.000 0.259 86 V C 0.148 176.327 176.094 0.142 0.000 1.116 86 V CA 0.914 63.272 62.300 0.096 0.000 1.127 86 V CB -0.396 31.462 31.823 0.058 0.000 0.742 86 V HN 0.672 nan 8.190 nan 0.000 0.474 87 D N -0.489 120.029 120.400 0.197 0.000 2.248 87 D HA 0.396 5.004 4.640 -0.053 0.000 0.246 87 D C -0.767 175.604 176.300 0.118 0.000 1.027 87 D CA -0.628 53.473 54.000 0.169 0.000 0.853 87 D CB 1.924 42.829 40.800 0.176 0.000 1.243 87 D HN 0.086 nan 8.370 nan 0.000 0.462 88 F N 2.155 122.052 119.950 -0.087 0.000 2.504 88 F HA 0.258 4.754 4.527 -0.051 0.000 0.369 88 F C 0.710 176.393 175.800 -0.196 0.000 1.082 88 F CA 0.168 58.086 58.000 -0.137 0.000 1.216 88 F CB 0.378 39.288 39.000 -0.150 0.000 1.108 88 F HN 0.207 nan 8.300 nan 0.000 0.554 89 T N 1.637 115.750 114.554 -0.735 0.000 2.864 89 T HA 0.366 4.685 4.350 -0.053 0.000 0.289 89 T C 0.558 174.864 174.700 -0.656 0.000 1.082 89 T CA -0.734 61.030 62.100 -0.560 0.000 1.009 89 T CB 1.145 69.724 68.868 -0.483 0.000 1.234 89 T HN 0.237 nan 8.240 nan 0.000 0.526 90 V N 0.665 120.357 119.914 -0.370 0.000 2.490 90 V HA -0.095 3.993 4.120 -0.053 0.000 0.250 90 V C 2.734 178.672 176.094 -0.260 0.000 1.061 90 V CA 2.265 64.420 62.300 -0.242 0.000 1.064 90 V CB -0.936 30.822 31.823 -0.109 0.000 0.670 90 V HN 1.038 nan 8.190 nan 0.000 0.461 91 E N 0.137 120.174 120.200 -0.270 0.000 2.106 91 E HA -0.169 4.150 4.350 -0.053 0.000 0.192 91 E C 2.192 178.630 176.600 -0.270 0.000 0.984 91 E CA 1.349 57.624 56.400 -0.208 0.000 0.806 91 E CB 0.068 29.665 29.700 -0.172 0.000 0.750 91 E HN 0.450 nan 8.360 nan 0.000 0.458 92 V N 1.436 121.088 119.914 -0.435 0.000 2.295 92 V HA -0.259 3.829 4.120 -0.053 0.000 0.246 92 V C 2.446 178.251 176.094 -0.482 0.000 1.049 92 V CA 2.251 64.278 62.300 -0.455 0.000 1.024 92 V CB -0.632 30.851 31.823 -0.567 0.000 0.648 92 V HN 0.392 nan 8.190 nan 0.000 0.447 93 E N 0.466 120.270 120.200 -0.659 0.000 2.070 93 E HA -0.311 4.007 4.350 -0.053 0.000 0.197 93 E C 2.458 178.880 176.600 -0.298 0.000 1.004 93 E CA 1.847 57.962 56.400 -0.476 0.000 0.805 93 E CB -0.200 29.366 29.700 -0.222 0.000 0.744 93 E HN 0.469 nan 8.360 nan 0.000 0.451 94 R N 0.353 120.739 120.500 -0.191 0.000 2.081 94 R HA -0.147 4.161 4.340 -0.053 0.000 0.235 94 R C 2.639 178.868 176.300 -0.118 0.000 1.131 94 R CA 1.803 57.851 56.100 -0.088 0.000 0.960 94 R CB -0.332 29.957 30.300 -0.017 0.000 0.856 94 R HN 0.287 nan 8.270 nan 0.000 0.436 95 S N 0.421 116.027 115.700 -0.157 0.000 2.382 95 S HA -0.133 4.305 4.470 -0.053 0.000 0.228 95 S C 2.016 176.510 174.600 -0.177 0.000 1.027 95 S CA 1.123 59.217 58.200 -0.177 0.000 0.991 95 S CB -0.425 62.689 63.200 -0.144 0.000 0.823 95 S HN 0.386 nan 8.310 nan 0.000 0.469 96 L N 0.349 121.455 121.223 -0.195 0.000 2.291 96 L HA 0.133 4.442 4.340 -0.053 0.000 0.214 96 L C 2.865 179.693 176.870 -0.070 0.000 1.120 96 L CA 0.801 55.544 54.840 -0.162 0.000 0.799 96 L CB -0.290 41.589 42.059 -0.300 0.000 0.925 96 L HN 0.281 nan 8.230 nan 0.000 0.446 97 R N -1.262 119.203 120.500 -0.058 0.000 2.276 97 R HA 0.025 4.334 4.340 -0.053 0.000 0.196 97 R C 1.971 178.326 176.300 0.091 0.000 0.961 97 R CA 0.234 56.363 56.100 0.047 0.000 1.024 97 R CB 0.201 30.532 30.300 0.052 0.000 0.940 97 R HN 0.155 nan 8.270 nan 0.000 0.480 98 V N 1.641 121.533 119.914 -0.037 0.000 2.426 98 V HA -0.023 4.066 4.120 -0.053 0.000 0.242 98 V C 0.921 176.923 176.094 -0.152 0.000 1.036 98 V CA 0.616 62.828 62.300 -0.147 0.000 1.044 98 V CB -0.213 31.276 31.823 -0.556 0.000 0.688 98 V HN 0.179 nan 8.190 nan 0.000 0.462 99 L N -1.161 119.972 121.223 -0.150 0.000 2.436 99 L HA 0.407 4.716 4.340 -0.053 0.000 0.265 99 L C 0.687 177.537 176.870 -0.033 0.000 1.168 99 L CA 0.537 55.316 54.840 -0.101 0.000 0.815 99 L CB -0.072 41.927 42.059 -0.099 0.000 1.109 99 L HN -0.027 nan 8.230 nan 0.000 0.462 100 D N 0.898 121.286 120.400 -0.020 0.000 2.394 100 D HA 0.238 4.847 4.640 -0.053 0.000 0.226 100 D C 0.690 176.994 176.300 0.007 0.000 0.990 100 D CA 1.053 55.059 54.000 0.011 0.000 0.902 100 D CB 0.745 41.557 40.800 0.021 0.000 1.038 100 D HN 0.789 nan 8.370 nan 0.000 0.499 101 G N -0.421 108.375 108.800 -0.007 0.000 2.680 101 G HA2 0.667 4.596 3.960 -0.053 0.000 0.290 101 G HA3 0.667 4.596 3.960 -0.053 0.000 0.290 101 G C -1.612 173.276 174.900 -0.019 0.000 1.355 101 G CA -0.261 44.837 45.100 -0.004 0.000 0.903 101 G HN 0.210 nan 8.290 nan 0.000 0.474 102 A N -0.915 121.894 122.820 -0.017 0.000 2.594 102 A HA 0.783 5.072 4.320 -0.053 0.000 0.291 102 A C -1.463 176.120 177.584 -0.001 0.000 1.105 102 A CA -0.537 51.487 52.037 -0.022 0.000 0.694 102 A CB 1.874 20.852 19.000 -0.037 0.000 1.291 102 A HN 1.295 nan 8.150 nan 0.000 0.410 103 V N 1.556 121.471 119.914 0.002 0.000 2.357 103 V HA 0.472 4.560 4.120 -0.053 0.000 0.284 103 V C -0.032 176.103 176.094 0.067 0.000 1.018 103 V CA -0.290 62.028 62.300 0.031 0.000 0.841 103 V CB 1.371 33.181 31.823 -0.021 0.000 0.991 103 V HN 0.897 nan 8.190 nan 0.000 0.437 104 T N 4.991 119.618 114.554 0.121 0.000 2.771 104 T HA 0.529 4.847 4.350 -0.053 0.000 0.291 104 T C -0.157 174.646 174.700 0.171 0.000 0.954 104 T CA -0.239 61.959 62.100 0.162 0.000 1.045 104 T CB 1.361 70.402 68.868 0.289 0.000 0.917 104 T HN 0.357 nan 8.240 nan 0.000 0.484 105 V N 5.402 125.404 119.914 0.146 0.000 2.459 105 V HA 0.534 4.623 4.120 -0.053 0.000 0.295 105 V C -0.171 175.970 176.094 0.078 0.000 1.029 105 V CA -0.834 61.560 62.300 0.156 0.000 0.874 105 V CB 1.362 33.294 31.823 0.182 0.000 0.985 105 V HN 0.711 nan 8.190 nan 0.000 0.438 106 L N 2.544 123.778 121.223 0.018 0.000 2.319 106 L HA 0.631 4.940 4.340 -0.053 0.000 0.267 106 L C -0.465 176.373 176.870 -0.053 0.000 1.011 106 L CA -0.810 54.010 54.840 -0.033 0.000 0.818 106 L CB 2.012 44.014 42.059 -0.095 0.000 1.316 106 L HN 0.515 nan 8.230 nan 0.000 0.432 107 D N 0.722 121.100 120.400 -0.038 0.000 2.312 107 D HA 0.263 4.872 4.640 -0.053 0.000 0.252 107 D C 0.697 176.963 176.300 -0.058 0.000 1.150 107 D CA -0.064 53.908 54.000 -0.046 0.000 0.870 107 D CB 2.131 42.923 40.800 -0.013 0.000 1.153 107 D HN 0.609 nan 8.370 nan 0.000 0.457 108 A N 4.326 127.100 122.820 -0.078 0.000 2.024 108 A HA -0.198 4.090 4.320 -0.053 0.000 0.220 108 A C 1.838 179.423 177.584 0.001 0.000 1.164 108 A CA 1.204 53.208 52.037 -0.055 0.000 0.643 108 A CB -0.431 18.515 19.000 -0.088 0.000 0.806 108 A HN 0.713 nan 8.150 nan 0.000 0.451 109 Q N 0.110 119.907 119.800 -0.006 0.000 2.172 109 Q HA -0.110 4.198 4.340 -0.053 0.000 0.200 109 Q C 1.800 177.839 176.000 0.064 0.000 0.964 109 Q CA 1.920 57.728 55.803 0.008 0.000 0.855 109 Q CB -0.011 28.715 28.738 -0.021 0.000 0.918 109 Q HN 0.734 nan 8.270 nan 0.000 0.444 110 S N -2.347 113.397 115.700 0.073 0.000 2.604 110 S HA 0.361 4.799 4.470 -0.053 0.000 0.235 110 S C 1.035 175.685 174.600 0.083 0.000 1.043 110 S CA 0.482 58.758 58.200 0.126 0.000 0.997 110 S CB 0.828 64.060 63.200 0.054 0.000 0.956 110 S HN 0.580 nan 8.310 nan 0.000 0.535 111 G N 1.851 110.636 108.800 -0.024 0.000 2.574 111 G HA2 -0.284 3.644 3.960 -0.053 0.000 0.286 111 G HA3 -0.284 3.644 3.960 -0.053 0.000 0.286 111 G C -0.205 174.590 174.900 -0.174 0.000 1.212 111 G CA -0.148 44.849 45.100 -0.171 0.000 0.979 111 G HN 1.088 nan 8.290 nan 0.000 0.557 112 V N 2.847 122.609 119.914 -0.253 0.000 2.381 112 V HA 0.284 4.372 4.120 -0.053 0.000 0.257 112 V C 0.794 176.782 176.094 -0.177 0.000 1.057 112 V CA 0.260 62.413 62.300 -0.246 0.000 1.013 112 V CB 0.679 32.293 31.823 -0.348 0.000 1.069 112 V HN 0.531 nan 8.190 nan 0.000 0.484 113 E N 6.450 126.559 120.200 -0.152 0.000 2.345 113 E HA 0.213 4.531 4.350 -0.053 0.000 0.259 113 E C -1.571 174.936 176.600 -0.156 0.000 1.117 113 E CA -1.794 54.522 56.400 -0.141 0.000 0.913 113 E CB 0.913 30.512 29.700 -0.169 0.000 1.057 113 E HN 0.270 nan 8.360 nan 0.000 0.432 114 P HA -0.206 nan 4.420 nan 0.000 0.216 114 P C 0.934 178.167 177.300 -0.112 0.000 1.153 114 P CA 1.652 64.694 63.100 -0.098 0.000 0.858 114 P CB 0.289 31.942 31.700 -0.077 0.000 0.789 115 Q N -1.447 118.237 119.800 -0.193 0.000 2.119 115 Q HA -0.089 4.219 4.340 -0.053 0.000 0.201 115 Q C 2.097 178.012 176.000 -0.143 0.000 0.972 115 Q CA 1.770 57.458 55.803 -0.191 0.000 0.847 115 Q CB -1.829 26.692 28.738 -0.362 0.000 0.903 115 Q HN 0.231 nan 8.270 nan 0.000 0.433 116 T N 0.959 115.400 114.554 -0.188 0.000 2.684 116 T HA -0.235 4.084 4.350 -0.053 0.000 0.267 116 T C 1.694 176.388 174.700 -0.010 0.000 1.036 116 T CA 1.611 63.664 62.100 -0.078 0.000 1.148 116 T CB -0.251 68.545 68.868 -0.119 0.000 0.863 116 T HN 0.497 nan 8.240 nan 0.000 0.436 117 E N 0.790 120.955 120.200 -0.059 0.000 2.077 117 E HA -0.181 4.137 4.350 -0.053 0.000 0.193 117 E C 2.362 179.007 176.600 0.074 0.000 0.989 117 E CA 1.710 58.093 56.400 -0.029 0.000 0.800 117 E CB -0.175 29.480 29.700 -0.075 0.000 0.746 117 E HN 0.674 nan 8.360 nan 0.000 0.452 118 T N -1.561 113.026 114.554 0.055 0.000 2.746 118 T HA -0.112 4.206 4.350 -0.053 0.000 0.267 118 T C 1.995 176.768 174.700 0.122 0.000 1.039 118 T CA 1.320 63.472 62.100 0.086 0.000 1.142 118 T CB -0.612 68.300 68.868 0.074 0.000 0.866 118 T HN 0.051 nan 8.240 nan 0.000 0.444 119 V N 0.101 120.090 119.914 0.125 0.000 2.407 119 V HA -0.094 3.994 4.120 -0.053 0.000 0.248 119 V C 2.314 178.507 176.094 0.165 0.000 1.055 119 V CA 1.521 63.904 62.300 0.138 0.000 1.049 119 V CB -0.969 30.922 31.823 0.113 0.000 0.662 119 V HN 0.654 nan 8.190 nan 0.000 0.455 120 W N 1.461 122.749 121.300 -0.019 0.000 2.379 120 W HA -0.145 4.481 4.660 -0.056 0.000 0.307 120 W C 2.600 179.108 176.519 -0.019 0.000 1.200 120 W CA 1.719 59.037 57.345 -0.046 0.000 1.297 120 W CB -0.292 29.104 29.460 -0.107 0.000 1.140 120 W HN 0.192 nan 8.180 nan 0.000 0.507 121 R N 0.186 120.858 120.500 0.287 0.000 2.083 121 R HA -0.219 4.090 4.340 -0.053 0.000 0.237 121 R C 2.397 178.746 176.300 0.081 0.000 1.137 121 R CA 2.187 58.391 56.100 0.173 0.000 0.951 121 R CB -0.769 29.612 30.300 0.135 0.000 0.851 121 R HN 0.295 nan 8.270 nan 0.000 0.434 122 Q N 0.077 119.926 119.800 0.082 0.000 2.045 122 Q HA -0.199 4.110 4.340 -0.053 0.000 0.206 122 Q C 2.247 178.341 176.000 0.156 0.000 0.991 122 Q CA 1.976 57.839 55.803 0.099 0.000 0.851 122 Q CB -0.276 28.565 28.738 0.171 0.000 0.911 122 Q HN 0.404 nan 8.270 nan 0.000 0.418 123 A N 0.317 123.171 122.820 0.056 0.000 1.940 123 A HA -0.211 4.078 4.320 -0.053 0.000 0.219 123 A C 2.245 179.810 177.584 -0.031 0.000 1.176 123 A CA 1.963 53.994 52.037 -0.011 0.000 0.631 123 A CB -0.952 17.955 19.000 -0.155 0.000 0.814 123 A HN 0.375 nan 8.150 nan 0.000 0.446 124 T N -0.136 114.360 114.554 -0.097 0.000 2.708 124 T HA -0.129 4.190 4.350 -0.053 0.000 0.266 124 T C 1.986 176.689 174.700 0.004 0.000 1.037 124 T CA 1.939 64.010 62.100 -0.049 0.000 1.146 124 T CB -0.644 68.215 68.868 -0.014 0.000 0.865 124 T HN 0.564 nan 8.240 nan 0.000 0.435 125 T N 0.764 115.331 114.554 0.021 0.000 2.803 125 T HA -0.110 4.209 4.350 -0.053 0.000 0.269 125 T C 1.195 175.797 174.700 -0.165 0.000 1.052 125 T CA 1.173 63.235 62.100 -0.063 0.000 1.136 125 T CB -0.418 68.401 68.868 -0.081 0.000 0.864 125 T HN 0.513 nan 8.240 nan 0.000 0.467 126 Y N 0.540 120.830 120.300 -0.017 0.000 2.470 126 Y HA 0.383 4.904 4.550 -0.050 0.000 0.284 126 Y C 1.668 177.562 175.900 -0.010 0.000 1.188 126 Y CA -0.343 57.758 58.100 0.001 0.000 1.269 126 Y CB -0.055 38.422 38.460 0.030 0.000 1.094 126 Y HN 0.297 nan 8.280 nan 0.000 0.518 127 G N 0.685 109.514 108.800 0.048 0.000 2.246 127 G HA2 -0.265 3.664 3.960 -0.053 0.000 0.273 127 G HA3 -0.265 3.664 3.960 -0.053 0.000 0.273 127 G C -0.350 174.567 174.900 0.028 0.000 1.055 127 G CA 0.255 45.369 45.100 0.023 0.000 0.851 127 G HN 0.140 nan 8.290 nan 0.000 0.500 128 V N 1.235 121.160 119.914 0.019 0.000 2.353 128 V HA 0.323 4.412 4.120 -0.053 0.000 0.264 128 V C -1.401 174.675 176.094 -0.029 0.000 1.049 128 V CA -1.622 60.675 62.300 -0.004 0.000 0.896 128 V CB 1.291 33.102 31.823 -0.020 0.000 1.025 128 V HN 0.151 nan 8.190 nan 0.000 0.475 129 P HA 0.249 nan 4.420 nan 0.000 0.265 129 P C -0.383 176.926 177.300 0.015 0.000 1.193 129 P CA 0.126 63.227 63.100 0.002 0.000 0.765 129 P CB 0.512 32.221 31.700 0.016 0.000 0.823 130 R N 2.172 122.718 120.500 0.077 0.000 2.686 130 R HA 0.626 4.935 4.340 -0.053 0.000 0.283 130 R C -0.221 176.184 176.300 0.174 0.000 0.978 130 R CA -0.864 55.280 56.100 0.074 0.000 0.897 130 R CB 1.561 31.795 30.300 -0.110 0.000 1.192 130 R HN 0.491 nan 8.270 nan 0.000 0.457 131 I N -1.311 119.345 120.570 0.144 0.000 2.707 131 I HA 0.697 4.835 4.170 -0.053 0.000 0.309 131 I C -0.653 175.577 176.117 0.189 0.000 1.001 131 I CA -1.156 60.248 61.300 0.174 0.000 1.129 131 I CB 1.904 40.011 38.000 0.178 0.000 1.308 131 I HN 0.126 nan 8.210 nan 0.000 0.466 132 V N 4.062 124.097 119.914 0.202 0.000 2.495 132 V HA 0.405 4.493 4.120 -0.053 0.000 0.298 132 V C -0.948 175.295 176.094 0.248 0.000 1.031 132 V CA -0.404 62.016 62.300 0.200 0.000 0.871 132 V CB 1.531 33.426 31.823 0.120 0.000 0.988 132 V HN 0.609 nan 8.190 nan 0.000 0.432 133 F N 5.111 125.096 119.950 0.059 0.000 2.445 133 F HA 0.600 5.093 4.527 -0.057 0.000 0.348 133 F C -0.212 175.612 175.800 0.040 0.000 1.125 133 F CA -0.833 57.197 58.000 0.050 0.000 0.983 133 F CB 1.509 40.519 39.000 0.016 0.000 1.198 133 F HN 0.251 nan 8.300 nan 0.000 0.436 134 V N 6.486 126.228 119.914 -0.287 0.000 2.313 134 V HA 0.129 4.217 4.120 -0.053 0.000 0.252 134 V C 0.333 176.081 176.094 -0.578 0.000 1.112 134 V CA -0.401 61.740 62.300 -0.265 0.000 0.984 134 V CB -0.160 31.664 31.823 0.002 0.000 1.157 134 V HN 0.720 nan 8.190 nan 0.000 0.493 135 N N 3.556 121.920 118.700 -0.559 0.000 2.408 135 N HA 0.236 4.944 4.740 -0.053 0.000 0.260 135 N C 0.536 175.875 175.510 -0.285 0.000 1.242 135 N CA -0.250 52.489 53.050 -0.520 0.000 0.959 135 N CB 0.360 38.736 38.487 -0.184 0.000 1.201 135 N HN 0.564 nan 8.380 nan 0.000 0.511 136 K N 0.192 120.474 120.400 -0.196 0.000 3.192 136 K HA -0.167 4.121 4.320 -0.053 0.000 0.278 136 K C 0.474 176.965 176.600 -0.182 0.000 1.164 136 K CA 0.204 56.417 56.287 -0.124 0.000 0.816 136 K CB -1.127 31.323 32.500 -0.084 0.000 1.256 136 K HN 0.506 nan 8.250 nan 0.000 0.497 137 M N 0.893 120.290 119.600 -0.340 0.000 2.346 137 M HA -0.128 4.321 4.480 -0.053 0.000 0.263 137 M C 1.444 177.558 176.300 -0.309 0.000 1.064 137 M CA 1.869 56.860 55.300 -0.514 0.000 1.083 137 M CB -0.672 31.181 32.600 -1.245 0.000 1.399 137 M HN 0.314 nan 8.290 nan 0.000 0.435 138 D N -0.738 119.594 120.400 -0.113 0.000 2.340 138 D HA 0.057 4.665 4.640 -0.053 0.000 0.217 138 D C 0.137 176.454 176.300 0.028 0.000 1.081 138 D CA 0.096 54.126 54.000 0.050 0.000 0.842 138 D CB 0.022 40.914 40.800 0.153 0.000 0.934 138 D HN 0.205 nan 8.370 nan 0.000 0.511 139 K N 0.209 120.600 120.400 -0.015 0.000 2.123 139 K HA 0.323 4.612 4.320 -0.053 0.000 0.248 139 K C -0.206 176.386 176.600 -0.013 0.000 0.969 139 K CA -1.392 54.890 56.287 -0.009 0.000 0.882 139 K CB 1.803 34.289 32.500 -0.023 0.000 1.080 139 K HN -0.065 nan 8.250 nan 0.000 0.441 140 L N 1.658 122.875 121.223 -0.010 0.000 2.700 140 L HA -0.059 4.249 4.340 -0.053 0.000 0.276 140 L C 0.949 177.805 176.870 -0.024 0.000 1.200 140 L CA 1.961 56.793 54.840 -0.013 0.000 0.951 140 L CB -0.639 41.411 42.059 -0.013 0.000 1.226 140 L HN 1.007 nan 8.230 nan 0.000 0.489 141 G N 2.771 111.556 108.800 -0.025 0.000 2.159 141 G HA2 -0.152 3.776 3.960 -0.053 0.000 0.227 141 G HA3 -0.152 3.776 3.960 -0.053 0.000 0.227 141 G C 0.405 175.284 174.900 -0.036 0.000 0.986 141 G CA -0.031 45.046 45.100 -0.038 0.000 0.651 141 G HN 1.214 nan 8.290 nan 0.000 0.523 142 A N 0.154 122.957 122.820 -0.028 0.000 2.520 142 A HA 0.535 4.824 4.320 -0.053 0.000 0.245 142 A C 0.487 178.070 177.584 -0.001 0.000 1.072 142 A CA 0.821 52.838 52.037 -0.032 0.000 0.761 142 A CB 0.274 19.232 19.000 -0.069 0.000 1.004 142 A HN 0.857 nan 8.150 nan 0.000 0.499 143 N N 2.479 121.200 118.700 0.034 0.000 2.621 143 N HA 0.120 4.828 4.740 -0.053 0.000 0.271 143 N C -0.129 175.454 175.510 0.122 0.000 1.181 143 N CA -0.569 52.531 53.050 0.083 0.000 0.805 143 N CB 0.451 38.978 38.487 0.067 0.000 1.351 143 N HN 0.438 nan 8.380 nan 0.000 0.539 144 F N 2.943 122.872 119.950 -0.035 0.000 2.069 144 F HA -0.113 4.381 4.527 -0.054 0.000 0.298 144 F C 2.169 177.949 175.800 -0.033 0.000 1.113 144 F CA 2.175 60.139 58.000 -0.060 0.000 1.214 144 F CB 0.109 39.072 39.000 -0.062 0.000 0.978 144 F HN 0.686 nan 8.300 nan 0.000 0.474 145 E N -1.156 119.066 120.200 0.037 0.000 2.058 145 E HA -0.351 3.968 4.350 -0.053 0.000 0.194 145 E C 2.339 178.872 176.600 -0.112 0.000 0.997 145 E CA 1.719 58.082 56.400 -0.062 0.000 0.801 145 E CB -0.767 28.974 29.700 0.067 0.000 0.746 145 E HN 0.596 nan 8.360 nan 0.000 0.450 146 Y N 1.192 121.414 120.300 -0.130 0.000 2.128 146 Y HA -0.220 4.297 4.550 -0.054 0.000 0.284 146 Y C 2.469 178.242 175.900 -0.211 0.000 1.154 146 Y CA 2.082 60.098 58.100 -0.139 0.000 1.149 146 Y CB -0.517 37.887 38.460 -0.093 0.000 0.976 146 Y HN 0.023 nan 8.280 nan 0.000 0.505 147 S N -0.544 114.968 115.700 -0.314 0.000 2.359 147 S HA -0.203 4.235 4.470 -0.053 0.000 0.224 147 S C 2.128 176.392 174.600 -0.560 0.000 1.035 147 S CA 1.507 59.446 58.200 -0.435 0.000 1.018 147 S CB -0.765 62.258 63.200 -0.296 0.000 0.876 147 S HN 0.346 nan 8.310 nan 0.000 0.448 148 V N 2.393 121.934 119.914 -0.621 0.000 2.343 148 V HA -0.185 3.903 4.120 -0.053 0.000 0.247 148 V C 2.705 178.351 176.094 -0.746 0.000 1.051 148 V CA 1.938 63.834 62.300 -0.673 0.000 1.036 148 V CB -1.104 30.324 31.823 -0.658 0.000 0.654 148 V HN 0.723 nan 8.190 nan 0.000 0.451 149 S N 1.003 116.362 115.700 -0.568 0.000 2.400 149 S HA -0.254 4.184 4.470 -0.053 0.000 0.232 149 S C 2.092 176.398 174.600 -0.492 0.000 1.025 149 S CA 2.041 59.968 58.200 -0.454 0.000 0.993 149 S CB -0.950 62.092 63.200 -0.263 0.000 0.808 149 S HN 0.778 nan 8.310 nan 0.000 0.478 150 T N 0.661 114.852 114.554 -0.605 0.000 2.915 150 T HA 0.120 4.439 4.350 -0.053 0.000 0.269 150 T C 1.820 176.240 174.700 -0.466 0.000 1.071 150 T CA 1.027 62.819 62.100 -0.513 0.000 1.132 150 T CB -0.788 67.755 68.868 -0.542 0.000 0.878 150 T HN 0.409 nan 8.240 nan 0.000 0.479 151 L N 0.253 121.138 121.223 -0.564 0.000 2.046 151 L HA -0.058 4.250 4.340 -0.053 0.000 0.208 151 L C 2.827 179.486 176.870 -0.352 0.000 1.077 151 L CA 1.864 56.363 54.840 -0.568 0.000 0.747 151 L CB -0.722 40.971 42.059 -0.610 0.000 0.896 151 L HN 0.435 nan 8.230 nan 0.000 0.432 152 H N -1.296 117.625 119.070 -0.248 0.000 2.299 152 H HA -0.190 4.335 4.556 -0.052 0.000 0.302 152 H C 1.911 177.146 175.328 -0.154 0.000 1.078 152 H CA 1.351 57.302 56.048 -0.163 0.000 1.323 152 H CB 0.044 29.732 29.762 -0.123 0.000 1.381 152 H HN 0.323 nan 8.280 nan 0.000 0.498 153 D N 0.198 120.557 120.400 -0.069 0.000 2.103 153 D HA -0.101 4.507 4.640 -0.053 0.000 0.199 153 D C 2.180 178.414 176.300 -0.111 0.000 0.978 153 D CA 0.761 54.711 54.000 -0.084 0.000 0.829 153 D CB 0.272 41.010 40.800 -0.103 0.000 0.981 153 D HN 0.033 nan 8.370 nan 0.000 0.464 154 R N -0.496 119.903 120.500 -0.168 0.000 2.090 154 R HA 0.029 4.337 4.340 -0.053 0.000 0.228 154 R C 1.262 177.470 176.300 -0.154 0.000 1.110 154 R CA 0.671 56.674 56.100 -0.162 0.000 0.973 154 R CB -0.250 29.922 30.300 -0.213 0.000 0.869 154 R HN 0.304 nan 8.270 nan 0.000 0.440 155 L N -0.363 120.740 121.223 -0.202 0.000 2.878 155 L HA 0.215 4.523 4.340 -0.053 0.000 0.253 155 L C 0.719 177.549 176.870 -0.066 0.000 1.135 155 L CA 0.299 55.023 54.840 -0.194 0.000 0.943 155 L CB -0.332 41.436 42.059 -0.485 0.000 1.307 155 L HN 0.174 nan 8.230 nan 0.000 0.545 156 Q N 0.339 120.114 119.800 -0.043 0.000 2.457 156 Q HA -0.224 4.084 4.340 -0.053 0.000 0.283 156 Q C 0.071 176.124 176.000 0.089 0.000 1.234 156 Q CA 0.478 56.295 55.803 0.024 0.000 0.877 156 Q CB -0.702 28.049 28.738 0.023 0.000 1.250 156 Q HN 0.461 nan 8.270 nan 0.000 0.481 157 A N 1.090 123.960 122.820 0.085 0.000 2.366 157 A HA 0.252 4.541 4.320 -0.053 0.000 0.272 157 A C 0.232 177.990 177.584 0.290 0.000 1.135 157 A CA -0.006 52.168 52.037 0.229 0.000 0.804 157 A CB 0.383 19.396 19.000 0.021 0.000 1.064 157 A HN 0.537 nan 8.150 nan 0.000 0.499 158 N N 2.119 121.024 118.700 0.341 0.000 2.892 158 N HA 0.279 4.987 4.740 -0.053 0.000 0.300 158 N C -0.017 175.622 175.510 0.215 0.000 1.211 158 N CA -0.083 53.113 53.050 0.243 0.000 1.158 158 N CB -0.044 38.566 38.487 0.206 0.000 1.455 158 N HN 0.701 nan 8.380 nan 0.000 0.524 159 A N 1.651 124.601 122.820 0.217 0.000 2.324 159 A HA 0.819 5.107 4.320 -0.053 0.000 0.330 159 A C -0.653 177.010 177.584 0.131 0.000 1.165 159 A CA -0.562 51.491 52.037 0.028 0.000 0.813 159 A CB 1.528 20.533 19.000 0.009 0.000 1.197 159 A HN 0.531 nan 8.150 nan 0.000 0.484 160 A N 2.844 125.682 122.820 0.030 0.000 2.520 160 A HA 0.805 5.094 4.320 -0.053 0.000 0.298 160 A C -3.164 174.548 177.584 0.214 0.000 1.051 160 A CA -1.631 50.544 52.037 0.229 0.000 0.690 160 A CB 1.117 20.348 19.000 0.385 0.000 1.281 160 A HN 0.523 nan 8.150 nan 0.000 0.402 161 P HA 0.128 nan 4.420 nan 0.000 0.262 161 P C 0.675 178.138 177.300 0.271 0.000 1.182 161 P CA 0.192 63.474 63.100 0.304 0.000 0.761 161 P CB 0.238 32.179 31.700 0.400 0.000 0.795 162 I N -0.324 120.402 120.570 0.261 0.000 3.956 162 I HA 0.262 4.400 4.170 -0.053 0.000 0.333 162 I C 0.178 176.422 176.117 0.211 0.000 1.302 162 I CA 0.271 61.705 61.300 0.223 0.000 1.122 162 I CB -0.063 38.069 38.000 0.220 0.000 1.013 162 I HN 0.238 nan 8.210 nan 0.000 0.405 163 Q N 1.302 121.227 119.800 0.209 0.000 2.456 163 Q HA 0.717 5.025 4.340 -0.053 0.000 0.284 163 Q C -1.498 174.537 176.000 0.059 0.000 1.061 163 Q CA -0.765 55.122 55.803 0.140 0.000 0.799 163 Q CB 3.419 32.229 28.738 0.120 0.000 1.445 163 Q HN 0.220 nan 8.270 nan 0.000 0.411 164 L N 2.203 123.426 121.223 0.000 0.000 2.386 164 L HA 0.623 4.932 4.340 -0.053 0.000 0.271 164 L C -2.408 174.382 176.870 -0.134 0.000 0.993 164 L CA -2.080 52.695 54.840 -0.108 0.000 0.819 164 L CB 2.137 44.225 42.059 0.048 0.000 1.294 164 L HN 0.390 nan 8.230 nan 0.000 0.414 165 P HA 0.309 nan 4.420 nan 0.000 0.281 165 P C -0.907 176.428 177.300 0.057 0.000 1.249 165 P CA -0.261 62.850 63.100 0.019 0.000 0.810 165 P CB 1.525 33.173 31.700 -0.086 0.000 1.008 166 I N 1.319 121.936 120.570 0.077 0.000 2.355 166 I HA 0.518 4.656 4.170 -0.053 0.000 0.288 166 I C 0.760 176.941 176.117 0.108 0.000 0.999 166 I CA 0.089 61.353 61.300 -0.060 0.000 1.163 166 I CB 0.794 38.613 38.000 -0.301 0.000 1.316 166 I HN 0.663 nan 8.210 nan 0.000 0.454 167 G N 4.573 113.469 108.800 0.159 0.000 2.758 167 G HA2 0.217 4.145 3.960 -0.053 0.000 0.686 167 G HA3 0.217 4.145 3.960 -0.053 0.000 0.686 167 G C -1.013 174.038 174.900 0.252 0.000 1.389 167 G CA -0.341 44.876 45.100 0.194 0.000 0.845 167 G HN 1.069 nan 8.290 nan 0.000 0.572 168 A N 0.194 123.120 122.820 0.176 0.000 2.566 168 A HA 0.992 5.280 4.320 -0.053 0.000 0.292 168 A C 0.401 178.049 177.584 0.108 0.000 1.112 168 A CA 0.859 52.966 52.037 0.116 0.000 0.707 168 A CB 0.922 19.952 19.000 0.052 0.000 1.302 168 A HN 2.178 nan 8.150 nan 0.000 0.409 169 E N -0.635 119.605 120.200 0.066 0.000 3.228 169 E HA -0.251 4.068 4.350 -0.053 0.000 0.299 169 E C -0.341 176.323 176.600 0.106 0.000 1.446 169 E CA 1.052 57.490 56.400 0.063 0.000 1.835 169 E CB -0.965 28.760 29.700 0.043 0.000 1.933 169 E HN 0.692 nan 8.360 nan 0.000 0.511 170 D N 0.604 121.054 120.400 0.082 0.000 2.309 170 D HA -0.077 4.532 4.640 -0.053 0.000 0.212 170 D C 1.416 177.771 176.300 0.093 0.000 0.968 170 D CA 1.291 55.340 54.000 0.083 0.000 0.882 170 D CB -0.175 40.661 40.800 0.059 0.000 0.918 170 D HN 0.207 nan 8.370 nan 0.000 0.503 171 E N -0.702 119.561 120.200 0.106 0.000 2.479 171 E HA 0.071 4.389 4.350 -0.053 0.000 0.193 171 E C 0.101 176.785 176.600 0.140 0.000 1.049 171 E CA -0.370 56.091 56.400 0.101 0.000 0.870 171 E CB -0.114 29.640 29.700 0.090 0.000 0.944 171 E HN 0.142 nan 8.360 nan 0.000 0.492 172 F N 2.239 122.201 119.950 0.020 0.000 2.541 172 F HA 0.054 4.549 4.527 -0.053 0.000 0.378 172 F C 1.117 176.936 175.800 0.032 0.000 1.068 172 F CA 0.185 58.191 58.000 0.010 0.000 1.199 172 F CB 0.418 39.410 39.000 -0.014 0.000 1.091 172 F HN 0.052 nan 8.300 nan 0.000 0.555 173 E N 4.146 124.056 120.200 -0.483 0.000 2.617 173 E HA 0.487 4.805 4.350 -0.053 0.000 0.208 173 E C -0.577 175.876 176.600 -0.245 0.000 0.888 173 E CA 0.015 56.225 56.400 -0.317 0.000 1.485 173 E CB 0.223 29.861 29.700 -0.103 0.000 1.482 173 E HN 0.557 nan 8.360 nan 0.000 0.813 174 A N 0.982 123.615 122.820 -0.313 0.000 2.594 174 A HA 0.751 5.040 4.320 -0.053 0.000 0.291 174 A C -1.564 176.035 177.584 0.024 0.000 1.105 174 A CA -0.768 51.231 52.037 -0.063 0.000 0.694 174 A CB 1.378 20.325 19.000 -0.090 0.000 1.291 174 A HN 0.191 nan 8.150 nan 0.000 0.410 175 I N 1.120 121.803 120.570 0.188 0.000 2.499 175 I HA 0.354 4.492 4.170 -0.053 0.000 0.288 175 I C -0.981 175.232 176.117 0.160 0.000 1.048 175 I CA -0.352 61.084 61.300 0.226 0.000 1.062 175 I CB 1.937 40.163 38.000 0.377 0.000 1.238 175 I HN 0.504 nan 8.210 nan 0.000 0.426 176 I N 4.691 125.312 120.570 0.085 0.000 2.371 176 I HA 0.125 4.264 4.170 -0.053 0.000 0.290 176 I C 0.011 176.205 176.117 0.129 0.000 1.028 176 I CA -0.134 61.203 61.300 0.062 0.000 1.345 176 I CB 0.745 38.763 38.000 0.030 0.000 1.407 176 I HN 0.502 nan 8.210 nan 0.000 0.501 177 D N 7.137 127.630 120.400 0.155 0.000 2.380 177 D HA 0.174 4.782 4.640 -0.053 0.000 0.230 177 D C 0.676 177.061 176.300 0.142 0.000 1.154 177 D CA -0.071 54.051 54.000 0.204 0.000 0.859 177 D CB 1.106 42.091 40.800 0.310 0.000 1.045 177 D HN 0.451 nan 8.370 nan 0.000 0.495 178 L N 3.220 124.530 121.223 0.144 0.000 2.313 178 L HA -0.061 4.247 4.340 -0.053 0.000 0.214 178 L C 2.207 179.145 176.870 0.114 0.000 1.119 178 L CA 0.182 55.093 54.840 0.118 0.000 0.809 178 L CB 0.059 42.193 42.059 0.126 0.000 0.933 178 L HN 0.325 nan 8.230 nan 0.000 0.449 179 V N -0.368 119.630 119.914 0.141 0.000 2.283 179 V HA -0.187 3.902 4.120 -0.053 0.000 0.243 179 V C 2.259 178.422 176.094 0.115 0.000 1.039 179 V CA 1.577 63.958 62.300 0.136 0.000 1.016 179 V CB -0.285 31.653 31.823 0.192 0.000 0.650 179 V HN 0.412 nan 8.190 nan 0.000 0.449 180 E N -0.613 119.662 120.200 0.125 0.000 2.435 180 E HA 0.018 4.336 4.350 -0.053 0.000 0.195 180 E C 0.538 177.175 176.600 0.062 0.000 1.029 180 E CA 0.067 56.526 56.400 0.097 0.000 0.865 180 E CB 0.067 29.840 29.700 0.122 0.000 0.833 180 E HN 0.374 nan 8.360 nan 0.000 0.510 181 M N 0.884 120.521 119.600 0.061 0.000 2.253 181 M HA -0.211 4.237 4.480 -0.053 0.000 0.195 181 M C -0.480 175.805 176.300 -0.024 0.000 0.512 181 M CA 1.118 56.435 55.300 0.029 0.000 0.442 181 M CB -1.924 30.695 32.600 0.030 0.000 1.189 181 M HN -0.023 nan 8.290 nan 0.000 0.923 182 K N -0.624 119.739 120.400 -0.061 0.000 2.295 182 K HA 0.748 5.036 4.320 -0.053 0.000 0.239 182 K C -0.432 175.950 176.600 -0.364 0.000 0.991 182 K CA -0.726 55.416 56.287 -0.241 0.000 0.845 182 K CB 3.002 35.307 32.500 -0.326 0.000 1.197 182 K HN 0.439 nan 8.250 nan 0.000 0.441 183 C N 1.845 120.799 119.300 -0.577 0.000 2.482 183 C HA 0.667 5.095 4.460 -0.053 0.000 0.317 183 C C -1.708 172.854 174.990 -0.714 0.000 1.197 183 C CA -0.745 57.991 59.018 -0.470 0.000 1.432 183 C CB -0.338 27.261 27.740 -0.236 0.000 2.062 183 C HN 0.669 nan 8.230 nan 0.000 0.471 184 F N 4.702 124.593 119.950 -0.097 0.000 2.427 184 F HA 0.499 4.995 4.527 -0.052 0.000 0.348 184 F C 0.221 175.788 175.800 -0.389 0.000 1.125 184 F CA -0.469 57.391 58.000 -0.234 0.000 0.989 184 F CB 1.251 40.115 39.000 -0.226 0.000 1.165 184 F HN 0.520 nan 8.300 nan 0.000 0.442 185 K N 4.030 124.280 120.400 -0.250 0.000 2.185 185 K HA 0.432 4.721 4.320 -0.053 0.000 0.269 185 K C -1.564 174.782 176.600 -0.423 0.000 0.987 185 K CA -0.498 55.635 56.287 -0.258 0.000 0.865 185 K CB 0.789 33.208 32.500 -0.135 0.000 1.090 185 K HN 0.552 nan 8.250 nan 0.000 0.450 186 Y N 1.681 121.945 120.300 -0.060 0.000 2.308 186 Y HA 0.098 4.617 4.550 -0.050 0.000 0.329 186 Y C 1.463 177.334 175.900 -0.047 0.000 1.111 186 Y CA -0.277 57.793 58.100 -0.050 0.000 1.179 186 Y CB 1.893 40.298 38.460 -0.092 0.000 1.201 186 Y HN 0.738 nan 8.280 nan 0.000 0.483 187 T N -2.016 112.585 114.554 0.078 0.000 3.054 187 T HA 0.247 4.565 4.350 -0.053 0.000 0.255 187 T C -0.032 174.699 174.700 0.052 0.000 1.035 187 T CA 0.066 62.191 62.100 0.042 0.000 0.941 187 T CB -0.432 68.447 68.868 0.017 0.000 1.026 187 T HN 0.710 nan 8.240 nan 0.000 0.533 188 N N -0.518 118.228 118.700 0.077 0.000 3.277 188 N HA 0.299 5.007 4.740 -0.053 0.000 0.278 188 N C -1.504 174.039 175.510 0.055 0.000 1.544 188 N CA -0.771 52.312 53.050 0.055 0.000 0.869 188 N CB 0.153 38.667 38.487 0.045 0.000 1.584 188 N HN -0.208 nan 8.380 nan 0.000 0.564 189 D N -0.448 119.966 120.400 0.023 0.000 2.388 189 D HA 0.273 4.882 4.640 -0.053 0.000 0.221 189 D C 0.610 176.894 176.300 -0.027 0.000 1.133 189 D CA 0.205 54.199 54.000 -0.010 0.000 0.831 189 D CB 0.140 40.913 40.800 -0.045 0.000 0.962 189 D HN 0.454 nan 8.370 nan 0.000 0.502 190 L N -1.140 120.093 121.223 0.017 0.000 2.672 190 L HA 0.287 4.595 4.340 -0.053 0.000 0.236 190 L C 1.540 178.440 176.870 0.049 0.000 1.092 190 L CA 0.269 55.122 54.840 0.021 0.000 0.887 190 L CB 0.415 42.498 42.059 0.040 0.000 1.168 190 L HN 0.099 nan 8.230 nan 0.000 0.502 191 G N 1.107 109.966 108.800 0.097 0.000 2.157 191 G HA2 -0.268 3.660 3.960 -0.053 0.000 0.248 191 G HA3 -0.268 3.660 3.960 -0.053 0.000 0.248 191 G C 0.372 175.334 174.900 0.104 0.000 0.979 191 G CA 0.373 45.567 45.100 0.155 0.000 0.650 191 G HN 0.388 nan 8.290 nan 0.000 0.529 192 T N -2.538 112.056 114.554 0.067 0.000 2.936 192 T HA 0.625 4.944 4.350 -0.053 0.000 0.282 192 T C 0.454 175.180 174.700 0.044 0.000 1.003 192 T CA 0.413 62.535 62.100 0.037 0.000 1.005 192 T CB 1.467 70.354 68.868 0.032 0.000 1.097 192 T HN 0.846 nan 8.240 nan 0.000 0.532 193 E N -0.136 120.078 120.200 0.023 0.000 2.360 193 E HA -0.167 4.151 4.350 -0.053 0.000 0.238 193 E C -0.551 176.046 176.600 -0.006 0.000 1.186 193 E CA 0.050 56.457 56.400 0.012 0.000 0.719 193 E CB -1.704 28.007 29.700 0.018 0.000 1.236 193 E HN 0.607 nan 8.360 nan 0.000 0.386 194 I N 1.339 121.894 120.570 -0.025 0.000 2.496 194 I HA 0.030 4.169 4.170 -0.053 0.000 0.285 194 I C 0.927 177.010 176.117 -0.058 0.000 1.080 194 I CA 0.519 61.753 61.300 -0.110 0.000 1.404 194 I CB 0.484 38.383 38.000 -0.169 0.000 1.403 194 I HN 0.050 nan 8.210 nan 0.000 0.539 195 E N 5.859 126.013 120.200 -0.077 0.000 2.133 195 E HA 0.232 4.551 4.350 -0.053 0.000 0.274 195 E C -0.706 175.886 176.600 -0.013 0.000 0.930 195 E CA -0.664 55.717 56.400 -0.031 0.000 0.770 195 E CB 1.647 31.319 29.700 -0.047 0.000 1.104 195 E HN 0.485 nan 8.360 nan 0.000 0.403 196 E N 4.282 124.498 120.200 0.026 0.000 2.316 196 E HA 0.234 4.553 4.350 -0.053 0.000 0.275 196 E C -0.519 176.005 176.600 -0.128 0.000 1.029 196 E CA -0.173 56.181 56.400 -0.077 0.000 0.871 196 E CB 0.541 30.220 29.700 -0.035 0.000 1.022 196 E HN 0.481 nan 8.360 nan 0.000 0.418 197 I N 0.150 120.601 120.570 -0.198 0.000 3.145 197 I HA 0.448 4.586 4.170 -0.053 0.000 0.313 197 I C -0.318 175.710 176.117 -0.150 0.000 1.122 197 I CA -1.204 60.014 61.300 -0.137 0.000 0.987 197 I CB 1.705 39.641 38.000 -0.107 0.000 1.236 197 I HN 0.247 nan 8.210 nan 0.000 0.453 198 E N 2.720 122.863 120.200 -0.095 0.000 2.442 198 E HA 0.190 4.509 4.350 -0.053 0.000 0.262 198 E C -0.262 176.293 176.600 -0.075 0.000 1.004 198 E CA 0.027 56.382 56.400 -0.075 0.000 0.928 198 E CB 0.949 30.624 29.700 -0.042 0.000 0.937 198 E HN 0.457 nan 8.360 nan 0.000 0.446 199 I N 4.974 125.506 120.570 -0.064 0.000 2.828 199 I HA -0.076 4.063 4.170 -0.053 0.000 0.292 199 I C -1.685 174.437 176.117 0.009 0.000 1.206 199 I CA -1.138 60.143 61.300 -0.031 0.000 1.420 199 I CB -0.325 37.672 38.000 -0.006 0.000 1.368 199 I HN 0.132 nan 8.210 nan 0.000 0.556 200 P HA 0.008 nan 4.420 nan 0.000 0.268 200 P C 0.549 177.908 177.300 0.099 0.000 1.205 200 P CA -0.110 63.034 63.100 0.073 0.000 0.771 200 P CB 0.763 32.533 31.700 0.118 0.000 0.858 201 E N 1.205 121.440 120.200 0.059 0.000 2.114 201 E HA -0.259 4.059 4.350 -0.053 0.000 0.199 201 E C 0.693 177.309 176.600 0.027 0.000 1.008 201 E CA 1.565 57.988 56.400 0.038 0.000 0.810 201 E CB -0.059 29.654 29.700 0.021 0.000 0.739 201 E HN 0.427 nan 8.360 nan 0.000 0.456 202 D N -1.185 119.227 120.400 0.020 0.000 2.351 202 D HA -0.106 4.502 4.640 -0.053 0.000 0.216 202 D C 0.745 176.900 176.300 -0.241 0.000 0.968 202 D CA 1.028 54.976 54.000 -0.087 0.000 0.899 202 D CB -0.034 40.704 40.800 -0.104 0.000 0.907 202 D HN 0.372 nan 8.370 nan 0.000 0.514 203 H N -1.515 117.567 119.070 0.020 0.000 2.893 203 H HA 0.237 4.762 4.556 -0.052 0.000 0.270 203 H C 1.427 176.771 175.328 0.027 0.000 1.095 203 H CA -0.235 55.829 56.048 0.027 0.000 1.186 203 H CB 0.559 30.337 29.762 0.027 0.000 1.562 203 H HN -0.056 nan 8.280 nan 0.000 0.536 204 L N 0.783 122.062 121.223 0.094 0.000 2.056 204 L HA -0.125 4.184 4.340 -0.053 0.000 0.207 204 L C 1.422 178.327 176.870 0.058 0.000 1.078 204 L CA 1.750 56.631 54.840 0.069 0.000 0.749 204 L CB -0.191 41.895 42.059 0.045 0.000 0.901 204 L HN 0.217 nan 8.230 nan 0.000 0.433 205 D N -0.180 120.245 120.400 0.041 0.000 2.092 205 D HA -0.245 4.363 4.640 -0.053 0.000 0.193 205 D C 2.191 178.523 176.300 0.053 0.000 0.994 205 D CA 1.809 55.831 54.000 0.037 0.000 0.828 205 D CB -0.268 40.544 40.800 0.020 0.000 0.963 205 D HN 0.498 nan 8.370 nan 0.000 0.450 206 R N 1.264 121.799 120.500 0.058 0.000 2.105 206 R HA -0.043 4.266 4.340 -0.053 0.000 0.239 206 R C 2.148 178.510 176.300 0.103 0.000 1.135 206 R CA 1.688 57.838 56.100 0.084 0.000 0.967 206 R CB -0.456 29.901 30.300 0.096 0.000 0.861 206 R HN 0.091 nan 8.270 nan 0.000 0.442 207 A N 1.551 124.435 122.820 0.106 0.000 1.897 207 A HA -0.092 4.196 4.320 -0.053 0.000 0.215 207 A C 2.003 179.639 177.584 0.086 0.000 1.181 207 A CA 1.184 53.281 52.037 0.100 0.000 0.620 207 A CB -0.231 18.824 19.000 0.091 0.000 0.821 207 A HN 0.379 nan 8.150 nan 0.000 0.443 208 E N 0.261 120.506 120.200 0.075 0.000 2.077 208 E HA -0.202 4.117 4.350 -0.053 0.000 0.193 208 E C 1.859 178.507 176.600 0.079 0.000 0.989 208 E CA 1.452 57.894 56.400 0.071 0.000 0.800 208 E CB -0.336 29.400 29.700 0.059 0.000 0.746 208 E HN 0.775 nan 8.360 nan 0.000 0.452 209 E N 0.639 120.886 120.200 0.078 0.000 2.106 209 E HA -0.110 4.209 4.350 -0.053 0.000 0.192 209 E C 1.957 178.611 176.600 0.090 0.000 0.984 209 E CA 0.956 57.405 56.400 0.081 0.000 0.806 209 E CB -0.038 29.706 29.700 0.073 0.000 0.750 209 E HN 0.190 nan 8.360 nan 0.000 0.458 210 A N 1.102 123.982 122.820 0.099 0.000 1.970 210 A HA -0.085 4.203 4.320 -0.053 0.000 0.216 210 A C 2.041 179.684 177.584 0.098 0.000 1.170 210 A CA 0.765 52.869 52.037 0.112 0.000 0.645 210 A CB -0.214 18.870 19.000 0.139 0.000 0.816 210 A HN 0.028 nan 8.150 nan 0.000 0.447 211 R N -0.266 120.288 120.500 0.090 0.000 2.081 211 R HA -0.101 4.207 4.340 -0.053 0.000 0.235 211 R C 2.310 178.640 176.300 0.049 0.000 1.131 211 R CA 1.331 57.474 56.100 0.073 0.000 0.960 211 R CB -0.336 30.009 30.300 0.075 0.000 0.856 211 R HN 0.448 nan 8.270 nan 0.000 0.436 212 A N -0.257 122.608 122.820 0.076 0.000 1.902 212 A HA -0.172 4.116 4.320 -0.053 0.000 0.217 212 A C 2.114 179.688 177.584 -0.016 0.000 1.181 212 A CA 1.955 54.045 52.037 0.089 0.000 0.623 212 A CB -0.682 18.426 19.000 0.180 0.000 0.818 212 A HN 0.441 nan 8.150 nan 0.000 0.443 213 S N -1.030 114.684 115.700 0.024 0.000 2.428 213 S HA -0.079 4.360 4.470 -0.053 0.000 0.230 213 S C 1.857 176.447 174.600 -0.017 0.000 1.014 213 S CA 1.204 59.408 58.200 0.007 0.000 0.957 213 S CB -0.445 62.788 63.200 0.054 0.000 0.784 213 S HN 0.477 nan 8.310 nan 0.000 0.499 214 L N 1.719 122.941 121.223 -0.002 0.000 2.005 214 L HA 0.144 4.452 4.340 -0.053 0.000 0.207 214 L C 1.974 178.742 176.870 -0.170 0.000 1.072 214 L CA 1.738 56.570 54.840 -0.013 0.000 0.744 214 L CB -0.807 41.271 42.059 0.032 0.000 0.895 214 L HN 0.374 nan 8.230 nan 0.000 0.433 215 I N -0.188 120.253 120.570 -0.215 0.000 2.163 215 I HA -0.316 3.822 4.170 -0.053 0.000 0.243 215 I C 2.452 178.290 176.117 -0.466 0.000 1.085 215 I CA 1.624 62.720 61.300 -0.340 0.000 1.347 215 I CB -0.492 37.296 38.000 -0.354 0.000 1.044 215 I HN 0.370 nan 8.210 nan 0.000 0.408 216 E N 0.864 120.748 120.200 -0.527 0.000 2.070 216 E HA -0.281 4.037 4.350 -0.053 0.000 0.197 216 E C 2.348 178.824 176.600 -0.207 0.000 1.004 216 E CA 1.528 57.694 56.400 -0.389 0.000 0.805 216 E CB -0.279 29.279 29.700 -0.237 0.000 0.744 216 E HN 0.575 nan 8.360 nan 0.000 0.451 217 A N 0.874 123.606 122.820 -0.145 0.000 1.930 217 A HA -0.117 4.171 4.320 -0.053 0.000 0.217 217 A C 2.486 179.976 177.584 -0.157 0.000 1.175 217 A CA 1.129 53.138 52.037 -0.047 0.000 0.627 217 A CB -0.431 18.659 19.000 0.149 0.000 0.815 217 A HN 0.114 nan 8.150 nan 0.000 0.443 218 V N -0.276 119.404 119.914 -0.389 0.000 2.379 218 V HA -0.145 3.943 4.120 -0.053 0.000 0.245 218 V C 2.984 178.926 176.094 -0.254 0.000 1.044 218 V CA 1.550 63.561 62.300 -0.482 0.000 1.036 218 V CB -1.181 30.276 31.823 -0.610 0.000 0.664 218 V HN 0.574 nan 8.190 nan 0.000 0.453 219 A N -0.365 122.320 122.820 -0.226 0.000 2.076 219 A HA -0.217 4.071 4.320 -0.053 0.000 0.220 219 A C 2.098 179.629 177.584 -0.089 0.000 1.160 219 A CA 1.517 53.466 52.037 -0.147 0.000 0.653 219 A CB -0.392 18.509 19.000 -0.165 0.000 0.801 219 A HN 0.514 nan 8.150 nan 0.000 0.455 220 E N -0.474 119.676 120.200 -0.084 0.000 2.338 220 E HA -0.114 4.205 4.350 -0.053 0.000 0.197 220 E C 1.899 178.481 176.600 -0.030 0.000 1.007 220 E CA 1.530 57.906 56.400 -0.040 0.000 0.849 220 E CB -0.371 29.316 29.700 -0.022 0.000 0.774 220 E HN 0.836 nan 8.360 nan 0.000 0.506 221 T N -3.084 111.442 114.554 -0.047 0.000 3.069 221 T HA 0.139 4.457 4.350 -0.053 0.000 0.252 221 T C 0.665 175.343 174.700 -0.037 0.000 1.053 221 T CA -0.090 61.988 62.100 -0.036 0.000 0.964 221 T CB 0.320 69.163 68.868 -0.042 0.000 1.005 221 T HN -0.057 nan 8.240 nan 0.000 0.532 222 S N 0.496 116.171 115.700 -0.042 0.000 2.609 222 S HA 0.351 4.789 4.470 -0.053 0.000 0.250 222 S C -0.436 174.152 174.600 -0.020 0.000 1.112 222 S CA -0.650 57.530 58.200 -0.034 0.000 1.102 222 S CB 0.926 64.096 63.200 -0.049 0.000 1.124 222 S HN 0.177 nan 8.310 nan 0.000 0.460 223 D N 3.227 123.621 120.400 -0.009 0.000 2.218 223 D HA -0.082 4.527 4.640 -0.053 0.000 0.204 223 D C 1.484 177.788 176.300 0.007 0.000 0.976 223 D CA 1.219 55.220 54.000 0.002 0.000 0.853 223 D CB 0.160 40.962 40.800 0.003 0.000 0.939 223 D HN 0.628 nan 8.370 nan 0.000 0.481 224 E N 0.382 120.583 120.200 0.002 0.000 2.047 224 E HA -0.063 4.255 4.350 -0.053 0.000 0.191 224 E C 2.056 178.663 176.600 0.012 0.000 0.987 224 E CA 0.324 56.728 56.400 0.007 0.000 0.799 224 E CB -0.256 29.446 29.700 0.003 0.000 0.752 224 E HN 0.221 nan 8.360 nan 0.000 0.449 225 L N -0.070 121.154 121.223 0.001 0.000 2.056 225 L HA -0.143 4.165 4.340 -0.053 0.000 0.207 225 L C 2.232 179.127 176.870 0.041 0.000 1.078 225 L CA 1.144 55.986 54.840 0.003 0.000 0.749 225 L CB -0.131 41.901 42.059 -0.044 0.000 0.901 225 L HN 0.306 nan 8.230 nan 0.000 0.433 226 M N 0.084 119.703 119.600 0.032 0.000 2.202 226 M HA -0.257 4.191 4.480 -0.053 0.000 0.262 226 M C 1.905 178.265 176.300 0.099 0.000 1.063 226 M CA 1.723 57.070 55.300 0.078 0.000 1.097 226 M CB -0.364 32.261 32.600 0.043 0.000 1.382 226 M HN 0.184 nan 8.290 nan 0.000 0.413 227 E N -0.535 119.700 120.200 0.059 0.000 2.051 227 E HA -0.209 4.109 4.350 -0.053 0.000 0.192 227 E C 2.052 178.681 176.600 0.048 0.000 0.991 227 E CA 1.174 57.600 56.400 0.044 0.000 0.799 227 E CB -0.080 29.636 29.700 0.027 0.000 0.748 227 E HN 0.516 nan 8.360 nan 0.000 0.449 228 K N -0.065 120.372 120.400 0.061 0.000 2.097 228 K HA -0.172 4.116 4.320 -0.053 0.000 0.205 228 K C 2.164 178.818 176.600 0.089 0.000 1.050 228 K CA 0.988 57.312 56.287 0.062 0.000 0.938 228 K CB -0.237 32.300 32.500 0.062 0.000 0.718 228 K HN 0.152 nan 8.250 nan 0.000 0.442 229 Y N 1.500 121.795 120.300 -0.009 0.000 2.133 229 Y HA -0.219 4.300 4.550 -0.052 0.000 0.287 229 Y C 1.880 177.777 175.900 -0.004 0.000 1.134 229 Y CA 1.178 59.274 58.100 -0.008 0.000 1.133 229 Y CB -0.342 38.110 38.460 -0.013 0.000 0.987 229 Y HN -0.110 nan 8.280 nan 0.000 0.502 230 L N 0.226 121.420 121.223 -0.049 0.000 2.079 230 L HA -0.101 4.208 4.340 -0.053 0.000 0.210 230 L C 2.555 179.364 176.870 -0.102 0.000 1.081 230 L CA 2.019 56.791 54.840 -0.113 0.000 0.752 230 L CB -1.747 40.304 42.059 -0.012 0.000 0.896 230 L HN 0.421 nan 8.230 nan 0.000 0.433 231 G N -1.748 107.021 108.800 -0.052 0.000 2.882 231 G HA2 -0.148 3.781 3.960 -0.053 0.000 0.206 231 G HA3 -0.148 3.781 3.960 -0.053 0.000 0.206 231 G C 0.364 175.232 174.900 -0.054 0.000 1.155 231 G CA 0.451 45.527 45.100 -0.041 0.000 0.800 231 G HN 0.449 nan 8.290 nan 0.000 0.524 232 D N -0.083 120.259 120.400 -0.097 0.000 2.686 232 D HA -0.145 4.464 4.640 -0.053 0.000 0.235 232 D C 0.263 176.538 176.300 -0.042 0.000 1.160 232 D CA 0.824 54.765 54.000 -0.098 0.000 0.645 232 D CB -0.988 39.756 40.800 -0.092 0.000 1.039 232 D HN 0.572 nan 8.370 nan 0.000 0.423 233 E N 0.028 120.219 120.200 -0.016 0.000 2.248 233 E HA 0.365 4.684 4.350 -0.053 0.000 0.272 233 E C 0.079 176.695 176.600 0.025 0.000 1.008 233 E CA -0.824 55.580 56.400 0.007 0.000 0.856 233 E CB 0.848 30.556 29.700 0.014 0.000 1.120 233 E HN 0.141 nan 8.360 nan 0.000 0.397 234 E N 1.584 121.799 120.200 0.025 0.000 2.415 234 E HA 0.033 4.351 4.350 -0.053 0.000 0.263 234 E C -0.967 175.659 176.600 0.044 0.000 0.995 234 E CA 0.329 56.750 56.400 0.035 0.000 0.915 234 E CB 0.311 30.028 29.700 0.027 0.000 0.951 234 E HN 0.283 nan 8.360 nan 0.000 0.449 235 I N 4.405 125.008 120.570 0.056 0.000 2.330 235 I HA 0.132 4.271 4.170 -0.053 0.000 0.286 235 I C 0.204 176.349 176.117 0.047 0.000 1.025 235 I CA -0.595 60.737 61.300 0.053 0.000 1.197 235 I CB 1.120 39.157 38.000 0.062 0.000 1.358 235 I HN 0.495 nan 8.210 nan 0.000 0.467 236 S N 4.698 120.423 115.700 0.041 0.000 2.589 236 S HA 0.143 4.581 4.470 -0.053 0.000 0.265 236 S C 1.397 176.026 174.600 0.048 0.000 1.342 236 S CA -0.829 57.396 58.200 0.041 0.000 1.005 236 S CB 1.359 64.581 63.200 0.036 0.000 0.909 236 S HN 0.373 nan 8.310 nan 0.000 0.555 237 V N 2.118 122.063 119.914 0.053 0.000 2.278 237 V HA -0.245 3.844 4.120 -0.053 0.000 0.251 237 V C 2.987 179.123 176.094 0.069 0.000 1.062 237 V CA 2.610 64.949 62.300 0.066 0.000 1.038 237 V CB -1.765 30.099 31.823 0.067 0.000 0.646 237 V HN 1.084 nan 8.190 nan 0.000 0.447 238 S N -0.536 115.198 115.700 0.057 0.000 2.387 238 S HA -0.182 4.257 4.470 -0.053 0.000 0.226 238 S C 1.793 176.427 174.600 0.057 0.000 1.026 238 S CA 1.358 59.592 58.200 0.057 0.000 0.972 238 S CB -0.424 62.803 63.200 0.045 0.000 0.814 238 S HN 0.708 nan 8.310 nan 0.000 0.477 239 E N 0.909 121.137 120.200 0.046 0.000 2.051 239 E HA -0.073 4.245 4.350 -0.053 0.000 0.192 239 E C 2.030 178.651 176.600 0.034 0.000 0.991 239 E CA 1.170 57.592 56.400 0.037 0.000 0.799 239 E CB -0.294 29.424 29.700 0.030 0.000 0.748 239 E HN 0.396 nan 8.360 nan 0.000 0.449 240 L N 1.595 122.841 121.223 0.039 0.000 2.056 240 L HA -0.150 4.158 4.340 -0.053 0.000 0.207 240 L C 2.087 178.991 176.870 0.056 0.000 1.078 240 L CA 1.860 56.713 54.840 0.023 0.000 0.749 240 L CB -0.274 41.802 42.059 0.028 0.000 0.901 240 L HN -0.121 nan 8.230 nan 0.000 0.433 241 K N -0.509 119.968 120.400 0.128 0.000 2.063 241 K HA -0.254 4.035 4.320 -0.053 0.000 0.208 241 K C 2.188 178.919 176.600 0.218 0.000 1.048 241 K CA 1.895 58.333 56.287 0.252 0.000 0.928 241 K CB -0.171 32.449 32.500 0.199 0.000 0.713 241 K HN 0.495 nan 8.250 nan 0.000 0.442 242 E N -0.441 119.830 120.200 0.118 0.000 2.077 242 E HA -0.194 4.124 4.350 -0.053 0.000 0.193 242 E C 1.768 178.403 176.600 0.058 0.000 0.989 242 E CA 1.013 57.466 56.400 0.089 0.000 0.800 242 E CB -0.057 29.678 29.700 0.057 0.000 0.746 242 E HN 0.398 nan 8.360 nan 0.000 0.452 243 A N 1.009 123.838 122.820 0.015 0.000 1.898 243 A HA -0.139 4.150 4.320 -0.053 0.000 0.216 243 A C 2.133 179.662 177.584 -0.091 0.000 1.181 243 A CA 1.106 53.116 52.037 -0.044 0.000 0.620 243 A CB -0.544 18.409 19.000 -0.079 0.000 0.819 243 A HN 0.295 nan 8.150 nan 0.000 0.442 244 I N -0.989 119.517 120.570 -0.108 0.000 2.179 244 I HA -0.268 3.870 4.170 -0.053 0.000 0.242 244 I C 2.722 178.813 176.117 -0.044 0.000 1.088 244 I CA 1.761 62.931 61.300 -0.218 0.000 1.357 244 I CB -0.364 37.394 38.000 -0.404 0.000 1.051 244 I HN 0.392 nan 8.210 nan 0.000 0.409 245 R N 0.980 121.575 120.500 0.159 0.000 2.080 245 R HA -0.276 4.032 4.340 -0.053 0.000 0.236 245 R C 2.409 178.779 176.300 0.117 0.000 1.137 245 R CA 2.158 58.407 56.100 0.249 0.000 0.943 245 R CB -0.369 30.088 30.300 0.261 0.000 0.846 245 R HN 0.391 nan 8.270 nan 0.000 0.431 246 Q N -0.319 119.520 119.800 0.066 0.000 2.096 246 Q HA -0.189 4.120 4.340 -0.053 0.000 0.204 246 Q C 1.859 177.868 176.000 0.015 0.000 0.982 246 Q CA 1.968 57.791 55.803 0.034 0.000 0.850 246 Q CB -0.173 28.575 28.738 0.016 0.000 0.901 246 Q HN 0.500 nan 8.270 nan 0.000 0.422 247 A N -0.219 122.597 122.820 -0.006 0.000 1.929 247 A HA -0.112 4.176 4.320 -0.053 0.000 0.216 247 A C 2.168 179.764 177.584 0.019 0.000 1.176 247 A CA 1.671 53.703 52.037 -0.009 0.000 0.628 247 A CB -0.692 18.273 19.000 -0.058 0.000 0.816 247 A HN 0.492 nan 8.150 nan 0.000 0.444 248 T N 0.244 114.834 114.554 0.060 0.000 2.737 248 T HA -0.120 4.199 4.350 -0.053 0.000 0.265 248 T C 2.152 176.854 174.700 0.004 0.000 1.038 248 T CA 2.053 64.177 62.100 0.040 0.000 1.144 248 T CB -0.637 68.300 68.868 0.114 0.000 0.866 248 T HN 0.784 nan 8.240 nan 0.000 0.434 249 T N 0.512 115.089 114.554 0.038 0.000 2.995 249 T HA 0.011 4.329 4.350 -0.053 0.000 0.269 249 T C 1.473 176.176 174.700 0.005 0.000 1.091 249 T CA 0.873 62.991 62.100 0.030 0.000 1.128 249 T CB -0.611 68.288 68.868 0.051 0.000 0.891 249 T HN 0.413 nan 8.240 nan 0.000 0.492 250 N N 1.170 119.864 118.700 -0.009 0.000 2.449 250 N HA 0.237 4.945 4.740 -0.053 0.000 0.191 250 N C -0.105 175.374 175.510 -0.053 0.000 1.161 250 N CA 0.088 53.125 53.050 -0.022 0.000 0.863 250 N CB -0.069 38.408 38.487 -0.016 0.000 0.980 250 N HN 0.165 nan 8.380 nan 0.000 0.458 251 V N 0.440 120.297 119.914 -0.096 0.000 4.935 251 V HA -0.295 3.794 4.120 -0.053 0.000 0.273 251 V C 0.634 176.598 176.094 -0.217 0.000 0.517 251 V CA 1.323 63.517 62.300 -0.178 0.000 0.745 251 V CB -2.271 29.513 31.823 -0.065 0.000 0.647 251 V HN 0.521 nan 8.190 nan 0.000 1.220 252 E N -1.354 118.730 120.200 -0.193 0.000 2.489 252 E HA 0.440 4.758 4.350 -0.053 0.000 0.204 252 E C 0.049 176.584 176.600 -0.110 0.000 1.006 252 E CA 0.214 56.544 56.400 -0.116 0.000 0.936 252 E CB 0.857 30.537 29.700 -0.033 0.000 1.002 252 E HN 0.675 nan 8.360 nan 0.000 0.488 253 F N 0.081 119.745 119.950 -0.476 0.000 2.654 253 F HA 0.376 4.872 4.527 -0.051 0.000 0.308 253 F C -2.010 173.463 175.800 -0.546 0.000 1.108 253 F CA -1.099 56.669 58.000 -0.386 0.000 0.957 253 F CB 1.361 40.248 39.000 -0.188 0.000 1.309 253 F HN -0.251 nan 8.300 nan 0.000 0.446 254 Y N 4.200 123.906 120.300 -0.991 0.000 2.402 254 Y HA 0.443 4.962 4.550 -0.052 0.000 0.325 254 Y C -2.591 172.800 175.900 -0.848 0.000 1.009 254 Y CA -2.756 54.994 58.100 -0.583 0.000 1.278 254 Y CB 1.152 39.544 38.460 -0.113 0.000 1.105 254 Y HN 0.276 nan 8.280 nan 0.000 0.476 255 P HA 0.080 nan 4.420 nan 0.000 0.268 255 P C -0.640 176.690 177.300 0.049 0.000 1.204 255 P CA 0.066 63.126 63.100 -0.067 0.000 0.768 255 P CB 0.953 32.694 31.700 0.069 0.000 0.842 256 V N 4.963 124.941 119.914 0.107 0.000 2.459 256 V HA 0.396 4.485 4.120 -0.053 0.000 0.295 256 V C 0.228 176.495 176.094 0.289 0.000 1.029 256 V CA -0.375 62.023 62.300 0.164 0.000 0.874 256 V CB 1.254 33.120 31.823 0.071 0.000 0.985 256 V HN 0.330 nan 8.190 nan 0.000 0.438 257 L N 4.183 125.589 121.223 0.304 0.000 2.256 257 L HA 0.905 5.213 4.340 -0.053 0.000 0.261 257 L C -0.033 176.981 176.870 0.241 0.000 1.022 257 L CA -0.197 54.825 54.840 0.302 0.000 0.828 257 L CB 2.027 44.298 42.059 0.354 0.000 1.374 257 L HN 0.960 nan 8.230 nan 0.000 0.436 258 C N -1.773 117.570 119.300 0.073 0.000 3.285 258 C HA 1.066 5.495 4.460 -0.053 0.000 0.320 258 C C -0.008 174.851 174.990 -0.220 0.000 1.411 258 C CA -0.033 58.855 59.018 -0.217 0.000 1.429 258 C CB 1.182 28.654 27.740 -0.446 0.000 1.812 258 C HN 1.297 nan 8.230 nan 0.000 0.454 259 G N -0.183 108.341 108.800 -0.461 0.000 2.345 259 G HA2 0.535 4.463 3.960 -0.053 0.000 0.285 259 G HA3 0.535 4.463 3.960 -0.053 0.000 0.285 259 G C -0.990 173.780 174.900 -0.216 0.000 1.297 259 G CA 0.395 45.409 45.100 -0.143 0.000 0.875 259 G HN 1.935 nan 8.290 nan 0.000 0.506 260 T N -0.957 113.645 114.554 0.080 0.000 3.170 260 T HA 0.648 4.967 4.350 -0.053 0.000 0.315 260 T C 1.170 175.978 174.700 0.179 0.000 0.967 260 T CA 0.923 63.077 62.100 0.089 0.000 1.024 260 T CB 0.846 69.787 68.868 0.120 0.000 1.018 260 T HN 1.891 nan 8.240 nan 0.000 0.449 261 A N 4.537 127.502 122.820 0.240 0.000 1.877 261 A HA 0.073 4.361 4.320 -0.053 0.000 0.216 261 A C 1.763 179.445 177.584 0.162 0.000 1.186 261 A CA 1.436 53.581 52.037 0.181 0.000 0.620 261 A CB -0.991 18.119 19.000 0.182 0.000 0.822 261 A HN 0.864 nan 8.150 nan 0.000 0.443 262 F N 0.514 120.489 119.950 0.042 0.000 2.126 262 F HA -0.115 4.383 4.527 -0.049 0.000 0.299 262 F C 1.634 177.455 175.800 0.035 0.000 1.096 262 F CA 1.992 60.010 58.000 0.029 0.000 1.255 262 F CB 0.013 39.025 39.000 0.019 0.000 0.997 262 F HN 0.112 nan 8.300 nan 0.000 0.479 263 K N 0.337 120.732 120.400 -0.008 0.000 2.493 263 K HA 0.121 4.409 4.320 -0.053 0.000 0.207 263 K C -0.413 176.168 176.600 -0.031 0.000 1.033 263 K CA 0.136 56.370 56.287 -0.088 0.000 1.161 263 K CB -0.451 32.061 32.500 0.019 0.000 0.873 263 K HN 0.253 nan 8.250 nan 0.000 0.491 264 N N 2.288 120.987 118.700 -0.001 0.000 2.671 264 N HA -0.189 4.520 4.740 -0.053 0.000 0.261 264 N C -1.558 173.932 175.510 -0.033 0.000 1.053 264 N CA 0.879 53.955 53.050 0.045 0.000 0.732 264 N CB -0.686 37.861 38.487 0.100 0.000 0.887 264 N HN 0.223 nan 8.380 nan 0.000 0.546 265 K N -0.002 120.316 120.400 -0.135 0.000 2.471 265 K HA 0.562 4.851 4.320 -0.053 0.000 0.252 265 K C 0.918 177.362 176.600 -0.259 0.000 0.938 265 K CA -0.326 55.605 56.287 -0.593 0.000 0.796 265 K CB 1.907 33.927 32.500 -0.799 0.000 1.161 265 K HN 0.273 nan 8.250 nan 0.000 0.425 266 G N 0.840 109.536 108.800 -0.173 0.000 2.176 266 G HA2 -0.275 3.654 3.960 -0.053 0.000 0.253 266 G HA3 -0.275 3.654 3.960 -0.053 0.000 0.253 266 G C 0.754 175.701 174.900 0.078 0.000 0.979 266 G CA 0.353 45.530 45.100 0.129 0.000 0.641 266 G HN 0.389 nan 8.290 nan 0.000 0.530 267 V N 0.578 120.451 119.914 -0.069 0.000 2.379 267 V HA -0.181 3.908 4.120 -0.053 0.000 0.245 267 V C 2.799 178.674 176.094 -0.366 0.000 1.044 267 V CA 2.766 64.829 62.300 -0.395 0.000 1.036 267 V CB -0.430 30.959 31.823 -0.723 0.000 0.664 267 V HN 0.593 nan 8.190 nan 0.000 0.453 268 Q N -0.326 119.428 119.800 -0.077 0.000 2.079 268 Q HA -0.099 4.209 4.340 -0.053 0.000 0.200 268 Q C 2.338 178.353 176.000 0.024 0.000 0.974 268 Q CA 1.329 57.157 55.803 0.042 0.000 0.840 268 Q CB -0.227 28.706 28.738 0.326 0.000 0.898 268 Q HN 0.530 nan 8.270 nan 0.000 0.430 269 L N 0.390 121.634 121.223 0.034 0.000 2.079 269 L HA -0.193 4.116 4.340 -0.053 0.000 0.210 269 L C 2.609 179.488 176.870 0.015 0.000 1.081 269 L CA 0.803 55.672 54.840 0.048 0.000 0.752 269 L CB -0.457 41.667 42.059 0.109 0.000 0.896 269 L HN 0.383 nan 8.230 nan 0.000 0.433 270 M N 0.020 119.574 119.600 -0.076 0.000 2.175 270 M HA -0.173 4.276 4.480 -0.053 0.000 0.264 270 M C 2.225 178.379 176.300 -0.243 0.000 1.063 270 M CA 1.880 57.083 55.300 -0.161 0.000 1.119 270 M CB -0.346 31.986 32.600 -0.445 0.000 1.377 270 M HN 0.232 nan 8.290 nan 0.000 0.415 271 L N 0.015 120.995 121.223 -0.405 0.000 2.093 271 L HA -0.219 4.090 4.340 -0.053 0.000 0.208 271 L C 1.955 178.667 176.870 -0.263 0.000 1.085 271 L CA 1.005 55.490 54.840 -0.591 0.000 0.755 271 L CB -0.883 40.304 42.059 -1.454 0.000 0.904 271 L HN 0.209 nan 8.230 nan 0.000 0.435 272 D N 0.341 120.745 120.400 0.007 0.000 2.144 272 D HA -0.151 4.457 4.640 -0.053 0.000 0.199 272 D C 2.235 178.511 176.300 -0.041 0.000 0.984 272 D CA 1.482 55.560 54.000 0.131 0.000 0.834 272 D CB -0.001 40.879 40.800 0.134 0.000 0.955 272 D HN 0.309 nan 8.370 nan 0.000 0.465 273 A N 0.350 123.149 122.820 -0.036 0.000 1.968 273 A HA -0.078 4.210 4.320 -0.053 0.000 0.217 273 A C 2.463 180.032 177.584 -0.024 0.000 1.169 273 A CA 0.738 52.763 52.037 -0.019 0.000 0.638 273 A CB -0.540 18.580 19.000 0.200 0.000 0.812 273 A HN 0.125 nan 8.150 nan 0.000 0.446 274 V N -0.028 119.852 119.914 -0.057 0.000 2.287 274 V HA -0.288 3.800 4.120 -0.053 0.000 0.248 274 V C 2.382 178.426 176.094 -0.084 0.000 1.053 274 V CA 2.192 64.456 62.300 -0.061 0.000 1.027 274 V CB -0.679 31.075 31.823 -0.115 0.000 0.646 274 V HN 0.521 nan 8.190 nan 0.000 0.447 275 I N 0.177 120.666 120.570 -0.135 0.000 2.179 275 I HA -0.187 3.951 4.170 -0.053 0.000 0.242 275 I C 2.153 178.134 176.117 -0.227 0.000 1.088 275 I CA 1.572 62.722 61.300 -0.250 0.000 1.357 275 I CB -0.701 37.088 38.000 -0.352 0.000 1.051 275 I HN 0.298 nan 8.210 nan 0.000 0.409 276 D N -0.913 119.297 120.400 -0.318 0.000 2.117 276 D HA -0.161 4.448 4.640 -0.053 0.000 0.198 276 D C 1.723 177.756 176.300 -0.445 0.000 0.982 276 D CA 1.652 55.322 54.000 -0.549 0.000 0.828 276 D CB 0.010 40.143 40.800 -1.111 0.000 0.967 276 D HN 0.380 nan 8.370 nan 0.000 0.464 277 Y N -0.603 119.724 120.300 0.045 0.000 2.423 277 Y HA 0.337 4.854 4.550 -0.054 0.000 0.257 277 Y C 0.869 176.798 175.900 0.049 0.000 1.087 277 Y CA -0.447 57.690 58.100 0.061 0.000 1.258 277 Y CB 0.352 38.869 38.460 0.095 0.000 1.237 277 Y HN -0.205 nan 8.280 nan 0.000 0.517 278 L N 3.933 125.239 121.223 0.139 0.000 2.399 278 L HA 0.320 4.628 4.340 -0.053 0.000 0.266 278 L C -2.144 174.768 176.870 0.069 0.000 1.114 278 L CA -1.870 53.025 54.840 0.091 0.000 0.804 278 L CB 0.979 43.068 42.059 0.051 0.000 1.146 278 L HN -0.164 nan 8.230 nan 0.000 0.451 279 P HA 0.087 nan 4.420 nan 0.000 0.277 279 P C -0.721 176.612 177.300 0.055 0.000 1.240 279 P CA -0.436 62.699 63.100 0.058 0.000 0.798 279 P CB 1.353 33.082 31.700 0.049 0.000 0.979 280 S N 2.081 117.820 115.700 0.064 0.000 2.645 280 S HA 0.286 4.724 4.470 -0.053 0.000 0.266 280 S C -1.701 172.931 174.600 0.053 0.000 1.258 280 S CA -1.073 57.164 58.200 0.062 0.000 0.990 280 S CB -0.081 63.160 63.200 0.070 0.000 0.967 280 S HN 0.228 nan 8.310 nan 0.000 0.556 281 P HA 0.041 nan 4.420 nan 0.000 0.225 281 P C 0.884 178.224 177.300 0.067 0.000 1.148 281 P CA 0.854 63.987 63.100 0.055 0.000 0.779 281 P CB -0.102 31.627 31.700 0.048 0.000 0.780 282 L N -1.138 120.121 121.223 0.060 0.000 2.492 282 L HA 0.022 4.331 4.340 -0.053 0.000 0.223 282 L C 1.349 178.250 176.870 0.051 0.000 1.132 282 L CA 0.853 55.728 54.840 0.057 0.000 0.850 282 L CB -0.411 41.679 42.059 0.052 0.000 0.966 282 L HN -0.081 nan 8.230 nan 0.000 0.454 283 D N -0.378 120.053 120.400 0.052 0.000 2.350 283 D HA 0.051 4.660 4.640 -0.053 0.000 0.213 283 D C 0.675 177.000 176.300 0.042 0.000 1.031 283 D CA 0.496 54.524 54.000 0.047 0.000 0.861 283 D CB 0.622 41.453 40.800 0.052 0.000 0.926 283 D HN 0.200 nan 8.370 nan 0.000 0.520 284 V N -1.401 118.540 119.914 0.046 0.000 3.096 284 V HA 0.391 4.480 4.120 -0.053 0.000 0.319 284 V C 0.167 176.287 176.094 0.043 0.000 1.103 284 V CA -1.383 60.942 62.300 0.042 0.000 1.016 284 V CB 1.848 33.700 31.823 0.048 0.000 1.090 284 V HN -0.240 nan 8.190 nan 0.000 0.449 285 K N 2.614 123.034 120.400 0.034 0.000 2.472 285 K HA 0.234 4.522 4.320 -0.053 0.000 0.280 285 K C -2.104 174.518 176.600 0.036 0.000 1.028 285 K CA -0.683 55.619 56.287 0.026 0.000 1.045 285 K CB 0.055 32.562 32.500 0.011 0.000 0.902 285 K HN 0.752 nan 8.250 nan 0.000 0.478 286 P HA -0.026 nan 4.420 nan 0.000 0.269 286 P C 0.025 177.318 177.300 -0.011 0.000 1.215 286 P CA -0.212 62.909 63.100 0.036 0.000 0.780 286 P CB 0.478 32.197 31.700 0.031 0.000 0.898 287 I N 1.792 122.324 120.570 -0.064 0.000 2.813 287 I HA 0.009 4.147 4.170 -0.053 0.000 0.287 287 I C -0.081 175.945 176.117 -0.151 0.000 1.196 287 I CA 0.133 61.316 61.300 -0.196 0.000 1.421 287 I CB 0.211 37.848 38.000 -0.605 0.000 1.365 287 I HN 0.095 nan 8.210 nan 0.000 0.591 288 I N 6.771 127.265 120.570 -0.127 0.000 2.433 288 I HA 0.496 4.635 4.170 -0.053 0.000 0.292 288 I C 0.544 176.604 176.117 -0.094 0.000 1.001 288 I CA -0.193 61.057 61.300 -0.084 0.000 1.119 288 I CB 0.534 38.505 38.000 -0.048 0.000 1.289 288 I HN 0.683 nan 8.210 nan 0.000 0.438 289 G N 4.862 113.610 108.800 -0.087 0.000 3.251 289 G HA2 0.731 4.659 3.960 -0.053 0.000 0.248 289 G HA3 0.731 4.659 3.960 -0.053 0.000 0.248 289 G C -1.191 173.699 174.900 -0.017 0.000 1.320 289 G CA -0.288 44.749 45.100 -0.104 0.000 0.982 289 G HN 0.736 nan 8.290 nan 0.000 0.575 290 H N -2.078 116.960 119.070 -0.054 0.000 2.977 290 H HA 0.710 5.234 4.556 -0.053 0.000 0.350 290 H C -0.518 174.788 175.328 -0.037 0.000 1.238 290 H CA -1.165 54.856 56.048 -0.044 0.000 1.124 290 H CB 1.071 30.805 29.762 -0.046 0.000 1.866 290 H HN 0.348 nan 8.280 nan 0.000 0.550 291 R N 0.451 121.023 120.500 0.119 0.000 2.438 291 R HA 0.317 4.625 4.340 -0.053 0.000 0.287 291 R C 0.799 177.179 176.300 0.133 0.000 1.077 291 R CA 0.374 56.510 56.100 0.061 0.000 1.034 291 R CB 1.194 31.526 30.300 0.052 0.000 0.993 291 R HN 0.912 nan 8.270 nan 0.000 0.459 292 A N 2.509 125.352 122.820 0.038 0.000 1.908 292 A HA -0.234 4.055 4.320 -0.053 0.000 0.218 292 A C 2.092 179.722 177.584 0.076 0.000 1.181 292 A CA 2.256 54.328 52.037 0.059 0.000 0.627 292 A CB -0.396 18.610 19.000 0.010 0.000 0.818 292 A HN 0.823 nan 8.150 nan 0.000 0.445 293 S N -0.855 114.875 115.700 0.050 0.000 2.387 293 S HA -0.068 4.371 4.470 -0.053 0.000 0.226 293 S C 0.835 175.456 174.600 0.035 0.000 1.026 293 S CA 0.873 59.094 58.200 0.035 0.000 0.972 293 S CB -0.386 62.828 63.200 0.023 0.000 0.814 293 S HN 0.669 nan 8.310 nan 0.000 0.477 294 N N 1.546 120.273 118.700 0.045 0.000 2.746 294 N HA 0.335 5.044 4.740 -0.053 0.000 0.250 294 N C -2.725 172.804 175.510 0.031 0.000 1.146 294 N CA -1.886 51.179 53.050 0.025 0.000 0.828 294 N CB 1.523 40.020 38.487 0.016 0.000 1.158 294 N HN -0.028 nan 8.380 nan 0.000 0.519 295 P HA -0.157 nan 4.420 nan 0.000 0.225 295 P C 0.798 177.968 177.300 -0.216 0.000 1.148 295 P CA 1.007 63.968 63.100 -0.233 0.000 0.779 295 P CB 0.129 31.601 31.700 -0.381 0.000 0.780 296 E N 0.048 120.182 120.200 -0.109 0.000 2.427 296 E HA -0.098 4.221 4.350 -0.053 0.000 0.196 296 E C 0.644 177.221 176.600 -0.038 0.000 1.028 296 E CA 0.209 56.561 56.400 -0.080 0.000 0.864 296 E CB -0.345 29.320 29.700 -0.058 0.000 0.813 296 E HN 0.262 nan 8.360 nan 0.000 0.514 297 E N 1.898 122.093 120.200 -0.009 0.000 2.081 297 E HA 0.068 4.387 4.350 -0.053 0.000 0.281 297 E C -0.776 175.846 176.600 0.037 0.000 0.986 297 E CA -0.331 56.077 56.400 0.013 0.000 0.796 297 E CB 0.795 30.506 29.700 0.018 0.000 1.085 297 E HN 0.151 nan 8.360 nan 0.000 0.398 298 E N 2.349 122.561 120.200 0.020 0.000 2.392 298 E HA 0.158 4.477 4.350 -0.053 0.000 0.264 298 E C -0.926 175.682 176.600 0.014 0.000 1.024 298 E CA -0.061 56.352 56.400 0.022 0.000 0.903 298 E CB 1.489 31.191 29.700 0.003 0.000 0.963 298 E HN 0.242 nan 8.360 nan 0.000 0.432 299 V N 5.201 125.118 119.914 0.005 0.000 2.623 299 V HA 0.351 4.439 4.120 -0.053 0.000 0.304 299 V C -0.351 175.724 176.094 -0.032 0.000 1.054 299 V CA -0.628 61.663 62.300 -0.014 0.000 0.882 299 V CB 1.634 33.442 31.823 -0.025 0.000 1.002 299 V HN 0.507 nan 8.190 nan 0.000 0.424 300 I N 3.690 124.245 120.570 -0.025 0.000 2.354 300 I HA 0.689 4.827 4.170 -0.053 0.000 0.292 300 I C 0.444 176.548 176.117 -0.022 0.000 0.989 300 I CA -0.493 60.790 61.300 -0.028 0.000 1.188 300 I CB 1.845 39.838 38.000 -0.012 0.000 1.342 300 I HN 0.682 nan 8.210 nan 0.000 0.457 301 A N 7.080 129.878 122.820 -0.036 0.000 2.540 301 A HA 0.354 4.643 4.320 -0.053 0.000 0.340 301 A C -0.075 177.540 177.584 0.052 0.000 1.424 301 A CA -0.549 51.488 52.037 -0.000 0.000 0.940 301 A CB 0.121 19.105 19.000 -0.026 0.000 1.149 301 A HN 0.723 nan 8.150 nan 0.000 0.505 302 K N 2.149 122.584 120.400 0.058 0.000 2.185 302 K HA 0.551 4.840 4.320 -0.053 0.000 0.271 302 K C 0.370 177.031 176.600 0.102 0.000 1.013 302 K CA -0.337 55.996 56.287 0.077 0.000 0.943 302 K CB 0.901 33.434 32.500 0.055 0.000 0.998 302 K HN 0.681 nan 8.250 nan 0.000 0.468 303 A N 3.466 126.353 122.820 0.113 0.000 2.545 303 A HA 0.065 4.353 4.320 -0.053 0.000 0.253 303 A C -0.460 177.181 177.584 0.095 0.000 1.074 303 A CA 0.492 52.597 52.037 0.112 0.000 0.760 303 A CB -0.052 19.008 19.000 0.100 0.000 1.005 303 A HN 0.767 nan 8.150 nan 0.000 0.506 304 D N 1.982 122.446 120.400 0.107 0.000 2.219 304 D HA 0.072 4.680 4.640 -0.053 0.000 0.191 304 D C -0.342 176.029 176.300 0.119 0.000 1.272 304 D CA -0.483 53.575 54.000 0.097 0.000 0.873 304 D CB 0.486 41.333 40.800 0.079 0.000 1.730 304 D HN 0.346 nan 8.370 nan 0.000 0.519 305 D N 0.922 121.402 120.400 0.134 0.000 2.263 305 D HA -0.104 4.504 4.640 -0.053 0.000 0.208 305 D C 1.637 178.019 176.300 0.137 0.000 0.971 305 D CA 1.305 55.408 54.000 0.172 0.000 0.867 305 D CB 0.255 41.185 40.800 0.216 0.000 0.929 305 D HN 0.406 nan 8.370 nan 0.000 0.492 306 S N -1.029 114.734 115.700 0.104 0.000 2.556 306 S HA 0.442 4.880 4.470 -0.053 0.000 0.216 306 S C 0.847 175.494 174.600 0.078 0.000 0.970 306 S CA -0.346 57.904 58.200 0.084 0.000 0.912 306 S CB 0.442 63.682 63.200 0.066 0.000 0.790 306 S HN 0.154 nan 8.310 nan 0.000 0.504 307 A N 1.422 124.295 122.820 0.088 0.000 2.249 307 A HA 0.550 4.838 4.320 -0.053 0.000 0.281 307 A C 0.149 177.791 177.584 0.098 0.000 1.127 307 A CA -0.609 51.477 52.037 0.081 0.000 0.833 307 A CB 0.131 19.177 19.000 0.077 0.000 1.140 307 A HN 0.512 nan 8.150 nan 0.000 0.502 308 E N -0.634 119.618 120.200 0.086 0.000 2.383 308 E HA 0.269 4.587 4.350 -0.053 0.000 0.264 308 E C -0.776 175.909 176.600 0.142 0.000 1.050 308 E CA -0.089 56.375 56.400 0.106 0.000 0.896 308 E CB 0.520 30.263 29.700 0.071 0.000 0.982 308 E HN 0.428 nan 8.360 nan 0.000 0.424 309 F N 2.348 122.315 119.950 0.028 0.000 2.484 309 F HA 0.380 4.875 4.527 -0.053 0.000 0.360 309 F C -0.382 175.441 175.800 0.038 0.000 1.101 309 F CA -0.418 57.600 58.000 0.031 0.000 1.251 309 F CB 0.445 39.447 39.000 0.003 0.000 1.132 309 F HN 0.343 nan 8.300 nan 0.000 0.570 310 A N 4.809 127.151 122.820 -0.797 0.000 2.513 310 A HA 0.844 5.132 4.320 -0.053 0.000 0.296 310 A C -1.691 175.567 177.584 -0.543 0.000 1.052 310 A CA -0.066 51.587 52.037 -0.640 0.000 0.714 310 A CB 0.740 19.612 19.000 -0.213 0.000 1.279 310 A HN 1.657 nan 8.150 nan 0.000 0.397 311 A N 1.067 123.610 122.820 -0.463 0.000 2.572 311 A HA 0.812 5.100 4.320 -0.053 0.000 0.295 311 A C -1.805 175.842 177.584 0.105 0.000 1.072 311 A CA -0.473 51.524 52.037 -0.067 0.000 0.691 311 A CB 1.453 20.385 19.000 -0.113 0.000 1.291 311 A HN 1.987 nan 8.150 nan 0.000 0.404 312 L N 1.519 122.944 121.223 0.337 0.000 2.333 312 L HA 0.808 5.116 4.340 -0.053 0.000 0.280 312 L C 0.332 177.433 176.870 0.385 0.000 1.004 312 L CA -0.161 54.863 54.840 0.307 0.000 0.820 312 L CB 1.468 43.742 42.059 0.358 0.000 1.247 312 L HN 1.084 nan 8.230 nan 0.000 0.416 313 A N 4.448 127.428 122.820 0.267 0.000 2.409 313 A HA 0.427 4.716 4.320 -0.053 0.000 0.267 313 A C 0.018 177.760 177.584 0.264 0.000 1.127 313 A CA 0.044 52.227 52.037 0.244 0.000 0.795 313 A CB -0.357 18.726 19.000 0.139 0.000 1.061 313 A HN 0.887 nan 8.150 nan 0.000 0.502 314 F N 0.180 120.242 119.950 0.188 0.000 2.767 314 F HA 0.653 5.146 4.527 -0.057 0.000 0.323 314 F C 0.014 175.871 175.800 0.096 0.000 1.091 314 F CA -0.588 57.484 58.000 0.120 0.000 1.192 314 F CB 0.266 39.323 39.000 0.096 0.000 1.056 314 F HN 0.373 nan 8.300 nan 0.000 0.571 315 K N 0.786 121.078 120.400 -0.180 0.000 2.562 315 K HA 0.661 4.949 4.320 -0.053 0.000 0.267 315 K C -1.950 174.679 176.600 0.047 0.000 0.938 315 K CA -0.521 55.730 56.287 -0.060 0.000 0.840 315 K CB 2.761 35.146 32.500 -0.191 0.000 1.390 315 K HN -0.068 nan 8.250 nan 0.000 0.428 316 V N 4.752 124.715 119.914 0.082 0.000 2.487 316 V HA 0.575 4.663 4.120 -0.053 0.000 0.298 316 V C -0.535 175.633 176.094 0.122 0.000 1.028 316 V CA -0.589 61.779 62.300 0.114 0.000 0.860 316 V CB 1.549 33.423 31.823 0.085 0.000 0.991 316 V HN 0.735 nan 8.190 nan 0.000 0.427 317 M N 2.723 122.420 119.600 0.162 0.000 2.602 317 M HA 0.529 4.977 4.480 -0.053 0.000 0.312 317 M C -0.521 175.843 176.300 0.107 0.000 1.181 317 M CA -0.504 54.881 55.300 0.141 0.000 0.910 317 M CB 2.591 35.314 32.600 0.206 0.000 1.723 317 M HN 0.448 nan 8.290 nan 0.000 0.459 318 T N 0.838 115.440 114.554 0.080 0.000 2.821 318 T HA 0.186 4.504 4.350 -0.053 0.000 0.307 318 T C -0.738 173.986 174.700 0.039 0.000 1.034 318 T CA -0.570 61.562 62.100 0.055 0.000 0.953 318 T CB 0.413 69.308 68.868 0.045 0.000 0.968 318 T HN 0.500 nan 8.240 nan 0.000 0.462 319 D N 4.417 124.845 120.400 0.045 0.000 2.308 319 D HA 0.130 4.738 4.640 -0.053 0.000 0.251 319 D C -1.246 175.025 176.300 -0.048 0.000 1.127 319 D CA -2.077 51.945 54.000 0.036 0.000 0.876 319 D CB 1.905 42.766 40.800 0.101 0.000 1.176 319 D HN 0.161 nan 8.370 nan 0.000 0.446 320 P HA -0.136 nan 4.420 nan 0.000 0.221 320 P C 0.472 177.519 177.300 -0.421 0.000 1.145 320 P CA 1.199 64.073 63.100 -0.376 0.000 0.795 320 P CB 0.133 31.467 31.700 -0.611 0.000 0.775 321 Y N -0.566 119.748 120.300 0.024 0.000 2.422 321 Y HA 0.032 4.549 4.550 -0.055 0.000 0.291 321 Y C 2.402 178.311 175.900 0.016 0.000 1.144 321 Y CA 0.519 58.631 58.100 0.020 0.000 1.208 321 Y CB -0.994 37.479 38.460 0.021 0.000 1.195 321 Y HN -0.234 nan 8.280 nan 0.000 0.535 322 V N -2.627 117.389 119.914 0.171 0.000 3.590 322 V HA 0.691 4.780 4.120 -0.053 0.000 0.265 322 V C 1.053 177.177 176.094 0.051 0.000 1.239 322 V CA 0.436 62.793 62.300 0.095 0.000 1.117 322 V CB -0.337 31.533 31.823 0.078 0.000 0.818 322 V HN 0.537 nan 8.190 nan 0.000 0.451 323 G N 1.017 109.842 108.800 0.041 0.000 2.488 323 G HA2 -0.280 3.649 3.960 -0.053 0.000 0.237 323 G HA3 -0.280 3.649 3.960 -0.053 0.000 0.237 323 G C -0.137 174.780 174.900 0.029 0.000 1.209 323 G CA 0.125 45.240 45.100 0.025 0.000 0.929 323 G HN 0.737 nan 8.290 nan 0.000 0.578 324 K N 0.550 120.965 120.400 0.024 0.000 2.412 324 K HA 0.457 4.745 4.320 -0.053 0.000 0.284 324 K C -0.095 176.513 176.600 0.012 0.000 1.046 324 K CA -0.093 56.210 56.287 0.028 0.000 0.999 324 K CB -0.174 32.341 32.500 0.026 0.000 0.941 324 K HN 0.417 nan 8.250 nan 0.000 0.474 325 L N 3.938 125.174 121.223 0.021 0.000 2.313 325 L HA 0.309 4.617 4.340 -0.053 0.000 0.283 325 L C -0.369 176.487 176.870 -0.023 0.000 1.013 325 L CA -0.672 54.140 54.840 -0.046 0.000 0.816 325 L CB 2.098 44.119 42.059 -0.064 0.000 1.236 325 L HN 0.619 nan 8.230 nan 0.000 0.419 326 T N 3.152 117.662 114.554 -0.073 0.000 2.842 326 T HA 0.454 4.772 4.350 -0.053 0.000 0.308 326 T C -0.340 174.332 174.700 -0.047 0.000 1.041 326 T CA -0.312 61.793 62.100 0.009 0.000 0.964 326 T CB 0.147 69.047 68.868 0.052 0.000 0.972 326 T HN 0.085 nan 8.240 nan 0.000 0.460 327 F N 4.465 124.291 119.950 -0.207 0.000 2.456 327 F HA 0.543 5.043 4.527 -0.046 0.000 0.358 327 F C 0.272 175.790 175.800 -0.470 0.000 1.095 327 F CA -0.683 57.033 58.000 -0.472 0.000 1.216 327 F CB 0.478 38.953 39.000 -0.875 0.000 1.125 327 F HN 0.535 nan 8.300 nan 0.000 0.549 328 F N 1.008 120.901 119.950 -0.096 0.000 2.613 328 F HA 0.752 5.249 4.527 -0.051 0.000 0.310 328 F C -1.082 174.938 175.800 0.367 0.000 1.085 328 F CA -1.681 56.403 58.000 0.139 0.000 0.945 328 F CB 1.522 40.588 39.000 0.111 0.000 1.298 328 F HN 0.331 nan 8.300 nan 0.000 0.455 329 R N 2.071 122.908 120.500 0.562 0.000 2.387 329 R HA 0.721 5.029 4.340 -0.053 0.000 0.314 329 R C -2.035 174.317 176.300 0.086 0.000 0.958 329 R CA -0.574 55.634 56.100 0.179 0.000 0.846 329 R CB 1.600 31.844 30.300 -0.092 0.000 1.147 329 R HN 0.730 nan 8.270 nan 0.000 0.447 330 V N 6.476 126.437 119.914 0.079 0.000 2.498 330 V HA 0.170 4.258 4.120 -0.053 0.000 0.279 330 V C -0.030 175.947 176.094 -0.194 0.000 1.048 330 V CA -0.034 62.326 62.300 0.099 0.000 0.967 330 V CB 0.928 32.932 31.823 0.301 0.000 0.988 330 V HN 0.853 nan 8.190 nan 0.000 0.473 331 Y N 2.011 122.345 120.300 0.056 0.000 2.464 331 Y HA 0.159 4.677 4.550 -0.053 0.000 0.288 331 Y C 1.437 177.364 175.900 0.046 0.000 1.133 331 Y CA 0.607 58.730 58.100 0.040 0.000 1.223 331 Y CB 0.475 38.934 38.460 -0.001 0.000 1.187 331 Y HN 0.700 nan 8.280 nan 0.000 0.539 332 S N -0.775 115.026 115.700 0.167 0.000 2.595 332 S HA 0.730 5.169 4.470 -0.053 0.000 0.281 332 S C 0.203 174.905 174.600 0.170 0.000 1.117 332 S CA -0.366 57.916 58.200 0.137 0.000 0.873 332 S CB 1.893 65.151 63.200 0.096 0.000 1.108 332 S HN 0.800 nan 8.310 nan 0.000 0.477 333 G N 0.958 109.870 108.800 0.188 0.000 2.569 333 G HA2 0.017 3.946 3.960 -0.053 0.000 0.259 333 G HA3 0.017 3.946 3.960 -0.053 0.000 0.259 333 G C -0.221 174.841 174.900 0.269 0.000 1.263 333 G CA 0.021 45.262 45.100 0.235 0.000 0.928 333 G HN 1.548 nan 8.290 nan 0.000 0.572 334 T N 0.434 115.127 114.554 0.231 0.000 2.956 334 T HA 0.603 4.921 4.350 -0.053 0.000 0.312 334 T C -0.352 174.218 174.700 -0.217 0.000 1.151 334 T CA 0.250 62.356 62.100 0.010 0.000 1.024 334 T CB 1.310 70.147 68.868 -0.052 0.000 1.140 334 T HN 1.084 nan 8.240 nan 0.000 0.473 335 M N 2.539 121.919 119.600 -0.367 0.000 2.518 335 M HA 0.651 5.099 4.480 -0.053 0.000 0.300 335 M C -1.615 174.471 176.300 -0.356 0.000 1.175 335 M CA -0.336 54.607 55.300 -0.596 0.000 0.890 335 M CB 2.336 34.282 32.600 -1.089 0.000 1.710 335 M HN 0.564 nan 8.290 nan 0.000 0.453 336 T N 2.094 116.466 114.554 -0.304 0.000 2.863 336 T HA 0.304 4.622 4.350 -0.053 0.000 0.285 336 T C -0.455 174.148 174.700 -0.162 0.000 1.009 336 T CA -0.313 61.668 62.100 -0.200 0.000 0.989 336 T CB 1.653 70.424 68.868 -0.161 0.000 1.004 336 T HN 0.746 nan 8.240 nan 0.000 0.455 337 S N 1.520 117.154 115.700 -0.111 0.000 2.552 337 S HA 0.377 4.815 4.470 -0.053 0.000 0.289 337 S C 1.503 176.043 174.600 -0.101 0.000 1.304 337 S CA 1.102 59.247 58.200 -0.092 0.000 1.063 337 S CB -0.460 62.706 63.200 -0.057 0.000 0.848 337 S HN 1.385 nan 8.310 nan 0.000 0.499 338 G N 2.937 111.664 108.800 -0.122 0.000 2.141 338 G HA2 -0.236 3.693 3.960 -0.053 0.000 0.242 338 G HA3 -0.236 3.693 3.960 -0.053 0.000 0.242 338 G C 0.124 174.931 174.900 -0.154 0.000 0.982 338 G CA 0.378 45.399 45.100 -0.131 0.000 0.662 338 G HN 1.572 nan 8.290 nan 0.000 0.527 339 S N -1.034 114.563 115.700 -0.172 0.000 2.747 339 S HA 0.805 5.243 4.470 -0.053 0.000 0.300 339 S C -0.344 174.125 174.600 -0.220 0.000 1.121 339 S CA -0.996 57.125 58.200 -0.131 0.000 0.995 339 S CB 1.595 64.733 63.200 -0.103 0.000 1.113 339 S HN 0.375 nan 8.310 nan 0.000 0.547 340 Y N 0.325 120.578 120.300 -0.078 0.000 2.320 340 Y HA 0.547 5.066 4.550 -0.052 0.000 0.334 340 Y C 0.498 176.356 175.900 -0.069 0.000 1.055 340 Y CA -0.520 57.543 58.100 -0.063 0.000 1.143 340 Y CB 1.538 39.974 38.460 -0.040 0.000 1.193 340 Y HN 0.697 nan 8.280 nan 0.000 0.477 341 V N 0.312 120.269 119.914 0.071 0.000 3.113 341 V HA 0.652 4.741 4.120 -0.053 0.000 0.316 341 V C -0.950 175.202 176.094 0.098 0.000 1.125 341 V CA -1.575 60.769 62.300 0.073 0.000 1.026 341 V CB 1.999 33.854 31.823 0.053 0.000 1.080 341 V HN 0.657 nan 8.190 nan 0.000 0.444 342 K N 2.163 122.622 120.400 0.099 0.000 2.183 342 K HA 0.368 4.657 4.320 -0.053 0.000 0.274 342 K C -0.235 176.394 176.600 0.049 0.000 1.009 342 K CA -0.416 55.912 56.287 0.067 0.000 0.888 342 K CB 0.876 33.408 32.500 0.054 0.000 1.078 342 K HN 0.883 nan 8.250 nan 0.000 0.459 343 N N 2.866 121.584 118.700 0.030 0.000 2.602 343 N HA -0.012 4.697 4.740 -0.053 0.000 0.238 343 N C 0.191 175.703 175.510 0.004 0.000 1.084 343 N CA -0.094 52.963 53.050 0.012 0.000 0.952 343 N CB 0.854 39.346 38.487 0.009 0.000 1.244 343 N HN 0.703 nan 8.380 nan 0.000 0.512 344 S N 1.584 117.280 115.700 -0.007 0.000 2.423 344 S HA -0.106 4.333 4.470 -0.053 0.000 0.231 344 S C 1.523 176.113 174.600 -0.015 0.000 1.014 344 S CA 1.013 59.204 58.200 -0.014 0.000 0.965 344 S CB -0.306 62.873 63.200 -0.035 0.000 0.785 344 S HN 0.480 nan 8.310 nan 0.000 0.495 345 T N 2.575 117.119 114.554 -0.017 0.000 2.746 345 T HA -0.007 4.312 4.350 -0.053 0.000 0.267 345 T C 1.619 176.317 174.700 -0.002 0.000 1.039 345 T CA 1.244 63.339 62.100 -0.010 0.000 1.142 345 T CB -0.200 68.662 68.868 -0.009 0.000 0.866 345 T HN 0.491 nan 8.240 nan 0.000 0.444 346 K N 0.501 120.901 120.400 -0.001 0.000 2.393 346 K HA 0.236 4.524 4.320 -0.053 0.000 0.193 346 K C 1.482 178.085 176.600 0.005 0.000 1.026 346 K CA 0.415 56.703 56.287 0.001 0.000 1.064 346 K CB 0.230 32.730 32.500 -0.000 0.000 0.833 346 K HN 0.421 nan 8.250 nan 0.000 0.521 347 G N 3.037 111.841 108.800 0.006 0.000 2.283 347 G HA2 -0.301 3.627 3.960 -0.053 0.000 0.280 347 G HA3 -0.301 3.627 3.960 -0.053 0.000 0.280 347 G C -0.314 174.593 174.900 0.011 0.000 1.029 347 G CA 0.799 45.904 45.100 0.008 0.000 0.840 347 G HN 0.309 nan 8.290 nan 0.000 0.505 348 K N -1.330 119.079 120.400 0.015 0.000 2.400 348 K HA 0.678 4.966 4.320 -0.053 0.000 0.246 348 K C 0.023 176.644 176.600 0.036 0.000 0.995 348 K CA -1.326 54.974 56.287 0.022 0.000 0.840 348 K CB 1.632 34.145 32.500 0.021 0.000 1.293 348 K HN 0.050 nan 8.250 nan 0.000 0.445 349 R N 1.348 121.880 120.500 0.053 0.000 2.410 349 R HA 0.167 4.475 4.340 -0.053 0.000 0.288 349 R C -0.532 175.832 176.300 0.106 0.000 1.051 349 R CA 0.124 56.282 56.100 0.097 0.000 1.021 349 R CB 0.664 31.040 30.300 0.126 0.000 1.032 349 R HN 0.457 nan 8.270 nan 0.000 0.481 350 E N 2.135 122.393 120.200 0.096 0.000 2.238 350 E HA 0.238 4.556 4.350 -0.053 0.000 0.267 350 E C -0.820 175.739 176.600 -0.069 0.000 0.887 350 E CA -0.851 55.561 56.400 0.021 0.000 0.769 350 E CB 2.082 31.771 29.700 -0.018 0.000 1.187 350 E HN 0.325 nan 8.360 nan 0.000 0.416 351 R N 2.560 122.941 120.500 -0.198 0.000 2.210 351 R HA 0.236 4.544 4.340 -0.053 0.000 0.338 351 R C -0.734 175.403 176.300 -0.271 0.000 1.062 351 R CA -0.369 55.459 56.100 -0.453 0.000 0.902 351 R CB 0.421 30.442 30.300 -0.464 0.000 1.050 351 R HN 0.208 nan 8.270 nan 0.000 0.461 352 V N 5.796 125.550 119.914 -0.266 0.000 2.415 352 V HA 0.142 4.230 4.120 -0.053 0.000 0.267 352 V C 1.283 177.277 176.094 -0.166 0.000 1.042 352 V CA 0.111 62.300 62.300 -0.185 0.000 1.000 352 V CB 0.862 32.570 31.823 -0.191 0.000 1.015 352 V HN 0.998 nan 8.190 nan 0.000 0.478 353 G N 4.958 113.687 108.800 -0.119 0.000 2.964 353 G HA2 0.147 4.076 3.960 -0.053 0.000 0.191 353 G HA3 0.147 4.076 3.960 -0.053 0.000 0.191 353 G C 0.404 175.265 174.900 -0.065 0.000 1.978 353 G CA -0.361 44.682 45.100 -0.095 0.000 0.861 353 G HN 0.570 nan 8.290 nan 0.000 0.584 354 R N -0.328 120.145 120.500 -0.044 0.000 2.410 354 R HA 0.553 4.861 4.340 -0.053 0.000 0.288 354 R C -0.882 175.409 176.300 -0.015 0.000 1.051 354 R CA -0.276 55.807 56.100 -0.028 0.000 1.021 354 R CB 0.450 30.736 30.300 -0.023 0.000 1.032 354 R HN 0.234 nan 8.270 nan 0.000 0.481 355 L N 5.370 126.590 121.223 -0.005 0.000 2.346 355 L HA 0.534 4.842 4.340 -0.053 0.000 0.276 355 L C -0.804 176.060 176.870 -0.011 0.000 1.006 355 L CA -0.833 54.013 54.840 0.010 0.000 0.817 355 L CB 1.785 43.872 42.059 0.046 0.000 1.272 355 L HN 0.500 nan 8.230 nan 0.000 0.421 356 L N 2.536 123.731 121.223 -0.047 0.000 2.401 356 L HA 0.510 4.819 4.340 -0.053 0.000 0.266 356 L C -0.788 176.053 176.870 -0.050 0.000 0.991 356 L CA -0.590 54.228 54.840 -0.037 0.000 0.818 356 L CB 2.463 44.493 42.059 -0.048 0.000 1.321 356 L HN 0.564 nan 8.230 nan 0.000 0.413 357 Q N 3.047 122.874 119.800 0.044 0.000 2.293 357 Q HA 0.535 4.843 4.340 -0.053 0.000 0.261 357 Q C -1.090 175.025 176.000 0.192 0.000 0.960 357 Q CA -0.868 54.987 55.803 0.087 0.000 0.882 357 Q CB 2.518 31.335 28.738 0.132 0.000 1.275 357 Q HN 0.380 nan 8.270 nan 0.000 0.445 358 M N 3.180 122.874 119.600 0.158 0.000 2.069 358 M HA 0.309 4.757 4.480 -0.053 0.000 0.349 358 M C -0.652 175.754 176.300 0.178 0.000 1.194 358 M CA -0.369 55.058 55.300 0.210 0.000 1.081 358 M CB -0.167 32.583 32.600 0.251 0.000 1.500 358 M HN 0.549 nan 8.290 nan 0.000 0.438 359 H N 0.783 119.905 119.070 0.087 0.000 2.523 359 H HA 0.550 5.074 4.556 -0.053 0.000 0.345 359 H C 1.226 176.610 175.328 0.094 0.000 1.261 359 H CA 0.143 56.233 56.048 0.071 0.000 1.343 359 H CB 0.845 30.633 29.762 0.043 0.000 1.650 359 H HN 0.759 nan 8.280 nan 0.000 0.591 360 A N 0.478 123.414 122.820 0.193 0.000 1.948 360 A HA -0.216 4.072 4.320 -0.053 0.000 0.220 360 A C 1.644 179.391 177.584 0.273 0.000 1.177 360 A CA 2.136 54.284 52.037 0.186 0.000 0.636 360 A CB -0.242 18.748 19.000 -0.016 0.000 0.815 360 A HN 0.724 nan 8.150 nan 0.000 0.449 361 N N -1.414 117.394 118.700 0.180 0.000 2.159 361 N HA 0.100 4.809 4.740 -0.053 0.000 0.217 361 N C -0.425 175.156 175.510 0.119 0.000 1.223 361 N CA 0.925 54.075 53.050 0.166 0.000 0.896 361 N CB 0.846 39.369 38.487 0.060 0.000 1.064 361 N HN 0.601 nan 8.380 nan 0.000 0.518 362 S N -0.512 115.260 115.700 0.119 0.000 2.615 362 S HA 0.577 5.015 4.470 -0.053 0.000 0.268 362 S C -1.523 173.126 174.600 0.082 0.000 1.146 362 S CA -0.880 57.354 58.200 0.057 0.000 0.818 362 S CB 2.168 65.357 63.200 -0.019 0.000 1.111 362 S HN -0.062 nan 8.310 nan 0.000 0.465 363 R N 1.014 121.537 120.500 0.038 0.000 2.437 363 R HA 0.660 4.969 4.340 -0.053 0.000 0.310 363 R C -1.015 175.289 176.300 0.007 0.000 0.955 363 R CA -0.410 55.724 56.100 0.057 0.000 0.851 363 R CB 1.487 31.811 30.300 0.041 0.000 1.161 363 R HN 0.623 nan 8.270 nan 0.000 0.446 364 Q N 1.592 121.414 119.800 0.037 0.000 2.310 364 Q HA 0.224 4.533 4.340 -0.053 0.000 0.270 364 Q C -0.872 175.149 176.000 0.035 0.000 1.025 364 Q CA -0.548 55.253 55.803 -0.003 0.000 0.772 364 Q CB 2.358 31.057 28.738 -0.066 0.000 1.253 364 Q HN 0.588 nan 8.270 nan 0.000 0.450 365 E N 3.485 123.693 120.200 0.012 0.000 2.344 365 E HA 0.354 4.672 4.350 -0.053 0.000 0.270 365 E C -0.414 176.201 176.600 0.026 0.000 1.021 365 E CA -0.180 56.228 56.400 0.014 0.000 0.887 365 E CB 0.569 30.269 29.700 0.001 0.000 0.997 365 E HN 0.600 nan 8.360 nan 0.000 0.429 366 I N 0.606 121.195 120.570 0.031 0.000 3.002 366 I HA 0.429 4.567 4.170 -0.053 0.000 0.310 366 I C -0.082 176.049 176.117 0.024 0.000 1.087 366 I CA -0.903 60.422 61.300 0.042 0.000 1.017 366 I CB 2.026 40.070 38.000 0.073 0.000 1.226 366 I HN 0.366 nan 8.210 nan 0.000 0.443 367 D N 1.255 121.670 120.400 0.025 0.000 2.262 367 D HA 0.118 4.727 4.640 -0.053 0.000 0.212 367 D C 0.045 176.325 176.300 -0.034 0.000 0.964 367 D CA 1.340 55.338 54.000 -0.003 0.000 0.875 367 D CB 0.643 41.444 40.800 0.002 0.000 0.996 367 D HN 0.693 nan 8.370 nan 0.000 0.497 368 T N 0.295 114.830 114.554 -0.031 0.000 2.933 368 T HA 0.464 4.782 4.350 -0.053 0.000 0.305 368 T C -0.484 174.139 174.700 -0.129 0.000 1.092 368 T CA -0.801 61.206 62.100 -0.156 0.000 1.008 368 T CB 2.821 71.529 68.868 -0.265 0.000 1.102 368 T HN -0.128 nan 8.240 nan 0.000 0.469 369 V N 0.775 120.588 119.914 -0.169 0.000 2.604 369 V HA 0.802 4.890 4.120 -0.053 0.000 0.305 369 V C -1.449 174.592 176.094 -0.089 0.000 1.043 369 V CA -0.969 61.336 62.300 0.008 0.000 0.888 369 V CB 0.774 32.714 31.823 0.195 0.000 0.995 369 V HN 0.851 nan 8.190 nan 0.000 0.429 370 Y N 0.957 121.335 120.300 0.130 0.000 2.596 370 Y HA 0.605 5.123 4.550 -0.053 0.000 0.326 370 Y C 1.228 177.207 175.900 0.131 0.000 1.167 370 Y CA -0.754 57.421 58.100 0.124 0.000 1.246 370 Y CB 1.523 40.037 38.460 0.090 0.000 1.347 370 Y HN 0.705 nan 8.280 nan 0.000 0.515 371 S N 0.602 116.479 115.700 0.294 0.000 2.546 371 S HA 0.294 4.733 4.470 -0.053 0.000 0.290 371 S C 0.965 175.642 174.600 0.128 0.000 1.290 371 S CA 0.961 59.271 58.200 0.184 0.000 1.069 371 S CB -0.115 63.183 63.200 0.164 0.000 0.846 371 S HN 1.080 nan 8.310 nan 0.000 0.495 372 G N 2.956 111.782 108.800 0.044 0.000 2.195 372 G HA2 -0.190 3.738 3.960 -0.053 0.000 0.246 372 G HA3 -0.190 3.738 3.960 -0.053 0.000 0.246 372 G C -0.235 174.662 174.900 -0.005 0.000 0.984 372 G CA -0.049 45.050 45.100 -0.002 0.000 0.633 372 G HN 0.626 nan 8.290 nan 0.000 0.525 373 D N 0.004 120.434 120.400 0.049 0.000 2.348 373 D HA 0.702 5.311 4.640 -0.053 0.000 0.249 373 D C 0.553 176.852 176.300 -0.003 0.000 1.110 373 D CA 0.041 54.074 54.000 0.054 0.000 0.967 373 D CB 1.290 42.172 40.800 0.137 0.000 1.139 373 D HN 0.277 nan 8.370 nan 0.000 0.466 374 I N 0.604 121.152 120.570 -0.037 0.000 2.545 374 I HA 0.630 4.768 4.170 -0.053 0.000 0.292 374 I C -0.270 175.718 176.117 -0.215 0.000 1.040 374 I CA -0.475 60.773 61.300 -0.086 0.000 1.068 374 I CB 1.905 39.945 38.000 0.066 0.000 1.251 374 I HN 0.386 nan 8.210 nan 0.000 0.424 375 A N 4.141 126.610 122.820 -0.585 0.000 2.568 375 A HA 0.965 5.253 4.320 -0.053 0.000 0.291 375 A C -1.767 175.341 177.584 -0.793 0.000 1.159 375 A CA -0.615 51.094 52.037 -0.545 0.000 0.679 375 A CB 1.603 20.355 19.000 -0.413 0.000 1.285 375 A HN 0.761 nan 8.150 nan 0.000 0.428 376 A N -0.274 122.194 122.820 -0.587 0.000 2.330 376 A HA 0.798 5.087 4.320 -0.053 0.000 0.313 376 A C -0.004 177.464 177.584 -0.194 0.000 1.124 376 A CA 0.123 51.777 52.037 -0.638 0.000 0.774 376 A CB 0.898 19.181 19.000 -1.194 0.000 1.198 376 A HN 2.348 nan 8.150 nan 0.000 0.465 377 A N 2.016 124.867 122.820 0.052 0.000 2.328 377 A HA 0.593 4.882 4.320 -0.053 0.000 0.284 377 A C -0.115 177.451 177.584 -0.029 0.000 1.160 377 A CA -0.320 51.761 52.037 0.072 0.000 0.818 377 A CB 0.304 19.374 19.000 0.117 0.000 1.087 377 A HN 1.072 nan 8.150 nan 0.000 0.504 378 V N 2.238 122.132 119.914 -0.033 0.000 2.432 378 V HA 0.525 4.613 4.120 -0.053 0.000 0.275 378 V C 1.337 177.417 176.094 -0.023 0.000 1.043 378 V CA 0.899 63.179 62.300 -0.034 0.000 0.925 378 V CB 0.512 32.319 31.823 -0.026 0.000 0.985 378 V HN 1.845 nan 8.190 nan 0.000 0.466 379 G N 4.457 113.249 108.800 -0.015 0.000 2.221 379 G HA2 -0.225 3.703 3.960 -0.053 0.000 0.265 379 G HA3 -0.225 3.703 3.960 -0.053 0.000 0.265 379 G C 0.052 174.942 174.900 -0.016 0.000 1.041 379 G CA -0.020 45.074 45.100 -0.010 0.000 0.807 379 G HN 0.613 nan 8.290 nan 0.000 0.502 380 L N -1.028 120.184 121.223 -0.018 0.000 2.514 380 L HA 0.116 4.424 4.340 -0.053 0.000 0.280 380 L C 2.029 178.893 176.870 -0.011 0.000 1.223 380 L CA 0.133 54.959 54.840 -0.022 0.000 0.864 380 L CB 0.343 42.389 42.059 -0.021 0.000 1.118 380 L HN 0.118 nan 8.230 nan 0.000 0.494 381 K N 0.972 121.365 120.400 -0.012 0.000 2.002 381 K HA -0.124 4.165 4.320 -0.053 0.000 0.209 381 K C 0.529 177.130 176.600 0.002 0.000 1.048 381 K CA 1.436 57.722 56.287 -0.003 0.000 0.930 381 K CB -0.008 32.493 32.500 0.001 0.000 0.714 381 K HN 0.508 nan 8.250 nan 0.000 0.438 382 D N -0.432 119.969 120.400 0.001 0.000 3.256 382 D HA 0.113 4.721 4.640 -0.053 0.000 0.332 382 D C -1.417 174.884 176.300 0.002 0.000 1.327 382 D CA -0.095 53.906 54.000 0.002 0.000 0.735 382 D CB 0.315 41.116 40.800 0.002 0.000 1.280 382 D HN -0.121 nan 8.370 nan 0.000 0.572 383 T N -0.147 114.410 114.554 0.004 0.000 2.809 383 T HA 0.740 5.059 4.350 -0.053 0.000 0.284 383 T C 0.205 174.917 174.700 0.020 0.000 0.992 383 T CA -0.582 61.523 62.100 0.008 0.000 0.957 383 T CB 1.676 70.545 68.868 0.000 0.000 0.942 383 T HN 0.170 nan 8.240 nan 0.000 0.439 384 G N 1.346 110.160 108.800 0.022 0.000 2.788 384 G HA2 0.587 4.516 3.960 -0.053 0.000 0.293 384 G HA3 0.587 4.516 3.960 -0.053 0.000 0.293 384 G C -0.382 174.547 174.900 0.047 0.000 1.305 384 G CA -0.701 44.419 45.100 0.033 0.000 1.005 384 G HN 0.557 nan 8.290 nan 0.000 0.496 385 T N 0.229 114.818 114.554 0.058 0.000 2.871 385 T HA 0.374 4.693 4.350 -0.053 0.000 0.296 385 T C 1.489 176.231 174.700 0.071 0.000 0.998 385 T CA 1.827 63.974 62.100 0.077 0.000 1.162 385 T CB 0.561 69.479 68.868 0.084 0.000 0.947 385 T HN 1.930 nan 8.240 nan 0.000 0.536 386 G N 3.194 112.049 108.800 0.092 0.000 2.194 386 G HA2 -0.190 3.738 3.960 -0.053 0.000 0.236 386 G HA3 -0.190 3.738 3.960 -0.053 0.000 0.236 386 G C -0.165 174.769 174.900 0.056 0.000 0.987 386 G CA -0.376 44.769 45.100 0.076 0.000 0.635 386 G HN 0.667 nan 8.290 nan 0.000 0.520 387 D N 1.334 121.765 120.400 0.052 0.000 2.341 387 D HA 0.535 5.143 4.640 -0.053 0.000 0.245 387 D C 0.520 176.837 176.300 0.029 0.000 1.106 387 D CA 0.617 54.634 54.000 0.028 0.000 0.905 387 D CB 1.079 41.891 40.800 0.021 0.000 1.202 387 D HN 0.076 nan 8.370 nan 0.000 0.426 388 T N 1.990 116.542 114.554 -0.004 0.000 2.837 388 T HA 0.484 4.803 4.350 -0.053 0.000 0.285 388 T C 0.168 174.845 174.700 -0.038 0.000 0.984 388 T CA -0.576 61.508 62.100 -0.028 0.000 1.049 388 T CB 0.517 69.343 68.868 -0.070 0.000 0.947 388 T HN 0.067 nan 8.240 nan 0.000 0.472 389 L N 3.395 124.578 121.223 -0.067 0.000 2.325 389 L HA 0.800 5.108 4.340 -0.053 0.000 0.278 389 L C 0.312 177.094 176.870 -0.147 0.000 1.023 389 L CA -0.851 53.965 54.840 -0.039 0.000 0.811 389 L CB 1.327 43.403 42.059 0.027 0.000 1.249 389 L HN 0.882 nan 8.230 nan 0.000 0.431 390 C N -0.225 119.088 119.300 0.021 0.000 3.316 390 C HA 0.868 5.297 4.460 -0.053 0.000 0.360 390 C C 0.503 175.662 174.990 0.282 0.000 1.560 390 C CA -0.701 58.330 59.018 0.021 0.000 1.229 390 C CB 0.876 28.580 27.740 -0.060 0.000 1.823 390 C HN 0.897 nan 8.230 nan 0.000 0.440 391 G N 0.043 108.994 108.800 0.251 0.000 2.569 391 G HA2 0.417 4.346 3.960 -0.053 0.000 0.249 391 G HA3 0.417 4.346 3.960 -0.053 0.000 0.249 391 G C 0.338 175.300 174.900 0.102 0.000 1.216 391 G CA 0.057 45.270 45.100 0.189 0.000 0.845 391 G HN 0.992 nan 8.290 nan 0.000 0.568 392 E N -0.266 119.979 120.200 0.075 0.000 2.187 392 E HA -0.179 4.139 4.350 -0.053 0.000 0.199 392 E C 2.173 178.792 176.600 0.032 0.000 1.004 392 E CA 1.748 58.174 56.400 0.044 0.000 0.813 392 E CB 0.132 29.847 29.700 0.025 0.000 0.736 392 E HN 0.680 nan 8.360 nan 0.000 0.468 393 K N -0.731 119.691 120.400 0.036 0.000 2.358 393 K HA 0.160 4.449 4.320 -0.053 0.000 0.200 393 K C 0.396 177.013 176.600 0.027 0.000 1.030 393 K CA -0.354 55.949 56.287 0.026 0.000 1.097 393 K CB 0.356 32.870 32.500 0.023 0.000 0.862 393 K HN -0.103 nan 8.250 nan 0.000 0.534 394 N N 2.234 120.955 118.700 0.035 0.000 2.483 394 N HA 0.037 4.746 4.740 -0.053 0.000 0.269 394 N C -1.329 174.184 175.510 0.006 0.000 1.209 394 N CA -0.047 53.017 53.050 0.022 0.000 0.969 394 N CB 1.204 39.706 38.487 0.026 0.000 1.173 394 N HN 0.045 nan 8.380 nan 0.000 0.475 395 D N 1.487 121.884 120.400 -0.006 0.000 2.378 395 D HA 0.401 5.010 4.640 -0.053 0.000 0.265 395 D C -1.216 175.060 176.300 -0.039 0.000 1.229 395 D CA -0.236 53.756 54.000 -0.014 0.000 0.914 395 D CB -0.249 40.550 40.800 -0.003 0.000 1.140 395 D HN 0.454 nan 8.370 nan 0.000 0.516 396 I N 3.217 123.746 120.570 -0.069 0.000 2.722 396 I HA 0.419 4.558 4.170 -0.053 0.000 0.292 396 I C -1.777 174.236 176.117 -0.175 0.000 1.267 396 I CA -0.786 60.442 61.300 -0.119 0.000 1.036 396 I CB 1.451 39.390 38.000 -0.102 0.000 1.281 396 I HN 0.099 nan 8.210 nan 0.000 0.423 397 I N 8.003 128.389 120.570 -0.306 0.000 2.436 397 I HA 0.277 4.416 4.170 -0.053 0.000 0.289 397 I C 0.348 176.254 176.117 -0.351 0.000 1.010 397 I CA -0.388 60.700 61.300 -0.354 0.000 1.098 397 I CB 2.023 39.701 38.000 -0.536 0.000 1.266 397 I HN 0.709 nan 8.210 nan 0.000 0.434 398 L N 3.786 124.884 121.223 -0.208 0.000 2.463 398 L HA 0.264 4.573 4.340 -0.053 0.000 0.219 398 L C 0.698 177.505 176.870 -0.106 0.000 1.088 398 L CA 0.472 55.209 54.840 -0.172 0.000 0.849 398 L CB 0.374 42.334 42.059 -0.165 0.000 1.012 398 L HN 0.613 nan 8.230 nan 0.000 0.468 399 E N 0.332 120.491 120.200 -0.068 0.000 2.290 399 E HA 0.461 4.779 4.350 -0.053 0.000 0.274 399 E C -1.182 175.431 176.600 0.022 0.000 0.889 399 E CA -0.319 56.077 56.400 -0.007 0.000 0.760 399 E CB 1.991 31.700 29.700 0.016 0.000 1.206 399 E HN 0.056 nan 8.360 nan 0.000 0.419 400 S N 3.121 118.857 115.700 0.060 0.000 2.611 400 S HA 0.535 4.974 4.470 -0.053 0.000 0.268 400 S C -0.852 173.776 174.600 0.046 0.000 1.156 400 S CA -1.035 57.212 58.200 0.078 0.000 0.817 400 S CB 0.972 64.277 63.200 0.175 0.000 1.122 400 S HN 0.483 nan 8.310 nan 0.000 0.466 401 M N 1.772 121.394 119.600 0.037 0.000 2.238 401 M HA 0.425 4.873 4.480 -0.053 0.000 0.350 401 M C 1.298 177.562 176.300 -0.060 0.000 1.138 401 M CA -0.507 54.804 55.300 0.018 0.000 1.040 401 M CB 1.606 34.260 32.600 0.089 0.000 1.639 401 M HN 1.033 nan 8.290 nan 0.000 0.451 402 E N 3.001 123.104 120.200 -0.163 0.000 2.118 402 E HA -0.105 4.213 4.350 -0.053 0.000 0.195 402 E C -0.534 175.721 176.600 -0.576 0.000 0.992 402 E CA 1.336 57.489 56.400 -0.411 0.000 0.804 402 E CB 0.329 29.711 29.700 -0.530 0.000 0.741 402 E HN 0.593 nan 8.360 nan 0.000 0.458 403 F N 0.118 120.113 119.950 0.076 0.000 2.443 403 F HA 0.292 4.787 4.527 -0.053 0.000 0.369 403 F C -1.884 173.948 175.800 0.053 0.000 1.090 403 F CA -1.971 56.075 58.000 0.076 0.000 1.129 403 F CB 1.729 40.832 39.000 0.172 0.000 1.367 403 F HN -0.017 nan 8.300 nan 0.000 0.465 404 P HA -0.067 nan 4.420 nan 0.000 0.231 404 P C 0.213 177.606 177.300 0.156 0.000 1.168 404 P CA 0.475 63.676 63.100 0.169 0.000 0.779 404 P CB 0.259 32.044 31.700 0.142 0.000 0.844 405 E N 2.107 122.326 120.200 0.032 0.000 2.384 405 E HA 0.116 4.434 4.350 -0.053 0.000 0.266 405 E C -1.978 174.545 176.600 -0.128 0.000 1.012 405 E CA -2.425 53.893 56.400 -0.136 0.000 0.901 405 E CB -0.196 29.428 29.700 -0.128 0.000 0.967 405 E HN 0.093 nan 8.360 nan 0.000 0.435 406 P HA -0.077 nan 4.420 nan 0.000 0.266 406 P C 0.345 177.547 177.300 -0.164 0.000 1.195 406 P CA 0.140 63.151 63.100 -0.148 0.000 0.768 406 P CB 0.774 32.318 31.700 -0.261 0.000 0.838 407 V N 0.777 120.609 119.914 -0.137 0.000 3.644 407 V HA 0.383 4.472 4.120 -0.053 0.000 0.267 407 V C 0.840 176.862 176.094 -0.119 0.000 1.277 407 V CA 0.353 62.586 62.300 -0.112 0.000 1.096 407 V CB -0.381 31.400 31.823 -0.070 0.000 0.828 407 V HN 0.447 nan 8.190 nan 0.000 0.446 408 I N -0.047 120.402 120.570 -0.201 0.000 2.827 408 I HA 0.688 4.827 4.170 -0.053 0.000 0.298 408 I C -1.300 174.654 176.117 -0.272 0.000 1.235 408 I CA -0.601 60.631 61.300 -0.114 0.000 1.021 408 I CB 2.562 40.538 38.000 -0.038 0.000 1.259 408 I HN 0.243 nan 8.210 nan 0.000 0.427 409 H N 5.262 124.387 119.070 0.091 0.000 2.946 409 H HA 0.795 5.319 4.556 -0.052 0.000 0.365 409 H C -1.595 173.787 175.328 0.089 0.000 1.197 409 H CA -0.622 55.485 56.048 0.098 0.000 1.131 409 H CB 2.219 32.047 29.762 0.110 0.000 1.849 409 H HN 0.370 nan 8.280 nan 0.000 0.555 410 L N 0.423 121.770 121.223 0.206 0.000 2.445 410 L HA 0.503 4.811 4.340 -0.053 0.000 0.262 410 L C -0.661 176.262 176.870 0.089 0.000 0.974 410 L CA -0.337 54.575 54.840 0.120 0.000 0.822 410 L CB 2.351 44.452 42.059 0.070 0.000 1.339 410 L HN 0.593 nan 8.230 nan 0.000 0.409 411 S N 2.330 118.064 115.700 0.057 0.000 2.442 411 S HA 0.809 5.248 4.470 -0.053 0.000 0.297 411 S C -1.067 173.540 174.600 0.011 0.000 1.131 411 S CA -0.434 57.780 58.200 0.023 0.000 1.092 411 S CB 0.797 64.006 63.200 0.015 0.000 0.998 411 S HN 0.368 nan 8.310 nan 0.000 0.478 412 V N 5.387 125.300 119.914 -0.001 0.000 2.448 412 V HA 0.470 4.559 4.120 -0.053 0.000 0.295 412 V C 0.004 176.092 176.094 -0.009 0.000 1.025 412 V CA -0.744 61.554 62.300 -0.004 0.000 0.859 412 V CB 1.555 33.374 31.823 -0.006 0.000 0.988 412 V HN 0.903 nan 8.190 nan 0.000 0.431 413 E N 7.637 127.833 120.200 -0.006 0.000 2.073 413 E HA 0.373 4.692 4.350 -0.053 0.000 0.269 413 E C -2.505 174.093 176.600 -0.004 0.000 0.917 413 E CA -2.075 54.320 56.400 -0.007 0.000 0.757 413 E CB 1.812 31.508 29.700 -0.006 0.000 1.111 413 E HN 0.449 nan 8.360 nan 0.000 0.410 414 P HA -0.009 nan 4.420 nan 0.000 0.269 414 P C 0.012 177.313 177.300 0.000 0.000 1.209 414 P CA -0.051 63.049 63.100 -0.000 0.000 0.776 414 P CB 1.160 32.859 31.700 -0.001 0.000 0.876 415 K N 0.325 120.727 120.400 0.003 0.000 2.228 415 K HA 0.050 4.338 4.320 -0.053 0.000 0.202 415 K C 1.032 177.634 176.600 0.003 0.000 1.051 415 K CA 0.968 57.257 56.287 0.003 0.000 0.960 415 K CB 0.147 32.649 32.500 0.004 0.000 0.743 415 K HN 0.664 nan 8.250 nan 0.000 0.458 416 S N -1.303 114.400 115.700 0.004 0.000 2.638 416 S HA 0.334 4.773 4.470 -0.053 0.000 0.274 416 S C 0.398 175.000 174.600 0.004 0.000 1.157 416 S CA -1.005 57.197 58.200 0.004 0.000 0.826 416 S CB 2.077 65.280 63.200 0.005 0.000 1.139 416 S HN -0.107 nan 8.310 nan 0.000 0.474 417 K N 0.524 120.926 120.400 0.004 0.000 2.032 417 K HA -0.138 4.151 4.320 -0.053 0.000 0.209 417 K C 2.403 179.007 176.600 0.007 0.000 1.048 417 K CA 1.560 57.849 56.287 0.004 0.000 0.927 417 K CB -0.845 31.658 32.500 0.004 0.000 0.712 417 K HN 0.712 nan 8.250 nan 0.000 0.441 418 A N 2.326 125.150 122.820 0.008 0.000 1.915 418 A HA -0.283 4.006 4.320 -0.053 0.000 0.220 418 A C 1.767 179.360 177.584 0.014 0.000 1.198 418 A CA 2.311 54.355 52.037 0.012 0.000 0.647 418 A CB -0.593 nan 19.000 nan 0.000 0.825 418 A HN 0.289 nan 8.150 nan 0.000 0.456 419 D N -1.382 119.026 120.400 0.013 0.000 2.149 419 D HA -0.135 4.473 4.640 -0.053 0.000 0.201 419 D C 2.090 178.396 176.300 0.009 0.000 0.972 419 D CA 1.441 55.450 54.000 0.015 0.000 0.835 419 D CB -0.303 40.505 40.800 0.013 0.000 0.966 419 D HN 0.734 nan 8.370 nan 0.000 0.476 420 Q N 0.648 120.451 119.800 0.005 0.000 2.050 420 Q HA -0.167 4.142 4.340 -0.053 0.000 0.202 420 Q C 1.422 177.422 176.000 0.001 0.000 0.980 420 Q CA 1.460 57.263 55.803 0.001 0.000 0.840 420 Q CB 0.217 28.955 28.738 -0.000 0.000 0.898 420 Q HN 0.080 nan 8.270 nan 0.000 0.424 421 D N 0.298 120.701 120.400 0.005 0.000 2.104 421 D HA -0.160 4.449 4.640 -0.053 0.000 0.194 421 D C 1.730 178.033 176.300 0.006 0.000 0.994 421 D CA 1.167 55.171 54.000 0.006 0.000 0.830 421 D CB -0.098 40.708 40.800 0.010 0.000 0.959 421 D HN 0.256 nan 8.370 nan 0.000 0.452 422 K N 0.070 120.479 120.400 0.015 0.000 2.152 422 K HA -0.094 4.195 4.320 -0.053 0.000 0.206 422 K C 2.215 178.808 176.600 -0.012 0.000 1.048 422 K CA 0.653 56.955 56.287 0.026 0.000 0.933 422 K CB -0.145 32.387 32.500 0.053 0.000 0.721 422 K HN 0.238 nan 8.250 nan 0.000 0.447 423 M N 0.331 119.919 119.600 -0.021 0.000 2.067 423 M HA -0.155 4.294 4.480 -0.053 0.000 0.260 423 M C 2.174 178.433 176.300 -0.069 0.000 1.069 423 M CA 1.735 57.006 55.300 -0.048 0.000 1.117 423 M CB -0.694 31.892 32.600 -0.023 0.000 1.334 423 M HN 0.147 nan 8.290 nan 0.000 0.407 424 T N 0.451 114.981 114.554 -0.039 0.000 2.720 424 T HA -0.176 4.143 4.350 -0.053 0.000 0.268 424 T C 1.818 176.485 174.700 -0.055 0.000 1.037 424 T CA 1.163 63.245 62.100 -0.031 0.000 1.144 424 T CB -0.248 68.613 68.868 -0.013 0.000 0.864 424 T HN 0.388 nan 8.240 nan 0.000 0.444 425 Q N 0.882 120.642 119.800 -0.066 0.000 2.079 425 Q HA 0.073 4.382 4.340 -0.053 0.000 0.200 425 Q C 2.787 178.649 176.000 -0.231 0.000 0.974 425 Q CA 1.418 57.171 55.803 -0.083 0.000 0.840 425 Q CB -0.773 27.951 28.738 -0.023 0.000 0.898 425 Q HN 0.585 nan 8.270 nan 0.000 0.430 426 A N 1.333 123.906 122.820 -0.412 0.000 1.908 426 A HA -0.155 4.133 4.320 -0.053 0.000 0.218 426 A C 2.277 179.543 177.584 -0.530 0.000 1.181 426 A CA 1.241 52.696 52.037 -0.971 0.000 0.627 426 A CB -0.770 17.703 19.000 -0.878 0.000 0.818 426 A HN 0.296 nan 8.150 nan 0.000 0.445 427 L N -0.246 120.844 121.223 -0.221 0.000 2.093 427 L HA -0.133 4.175 4.340 -0.053 0.000 0.208 427 L C 2.720 179.608 176.870 0.031 0.000 1.085 427 L CA 1.341 56.174 54.840 -0.012 0.000 0.755 427 L CB -0.543 41.547 42.059 0.051 0.000 0.904 427 L HN 0.466 nan 8.230 nan 0.000 0.435 428 V N -1.725 118.170 119.914 -0.032 0.000 2.427 428 V HA -0.244 3.845 4.120 -0.053 0.000 0.248 428 V C 2.363 178.459 176.094 0.004 0.000 1.051 428 V CA 1.630 63.921 62.300 -0.014 0.000 1.048 428 V CB -0.446 31.367 31.823 -0.015 0.000 0.666 428 V HN 0.347 nan 8.190 nan 0.000 0.456 429 K N 0.292 120.677 120.400 -0.025 0.000 2.057 429 K HA 0.115 4.403 4.320 -0.053 0.000 0.206 429 K C 2.133 178.791 176.600 0.096 0.000 1.050 429 K CA 1.809 58.120 56.287 0.041 0.000 0.935 429 K CB -0.456 32.098 32.500 0.089 0.000 0.715 429 K HN 0.483 nan 8.250 nan 0.000 0.439 430 L N 0.806 122.078 121.223 0.081 0.000 2.042 430 L HA -0.258 4.051 4.340 -0.053 0.000 0.210 430 L C 2.513 179.615 176.870 0.387 0.000 1.076 430 L CA 1.348 56.322 54.840 0.222 0.000 0.749 430 L CB -0.324 41.816 42.059 0.135 0.000 0.893 430 L HN 0.232 nan 8.230 nan 0.000 0.432 431 Q N -0.168 119.793 119.800 0.268 0.000 2.170 431 Q HA -0.227 4.081 4.340 -0.053 0.000 0.203 431 Q C 2.058 178.067 176.000 0.015 0.000 0.976 431 Q CA 1.520 57.315 55.803 -0.014 0.000 0.858 431 Q CB 0.057 28.676 28.738 -0.198 0.000 0.907 431 Q HN 0.509 nan 8.270 nan 0.000 0.433 432 E N -0.088 120.144 120.200 0.054 0.000 2.204 432 E HA -0.165 4.153 4.350 -0.053 0.000 0.194 432 E C 1.406 178.053 176.600 0.078 0.000 0.989 432 E CA 0.878 57.309 56.400 0.051 0.000 0.824 432 E CB 0.128 29.861 29.700 0.055 0.000 0.756 432 E HN 0.416 nan 8.360 nan 0.000 0.477 433 E N 0.233 120.504 120.200 0.118 0.000 2.340 433 E HA -0.025 4.293 4.350 -0.053 0.000 0.194 433 E C 0.040 176.722 176.600 0.137 0.000 0.996 433 E CA 0.271 56.745 56.400 0.125 0.000 0.869 433 E CB 0.488 30.271 29.700 0.139 0.000 0.835 433 E HN -0.029 nan 8.360 nan 0.000 0.493 434 D N -0.027 120.484 120.400 0.184 0.000 2.375 434 D HA 0.080 4.689 4.640 -0.053 0.000 0.241 434 D C -2.271 174.119 176.300 0.150 0.000 1.361 434 D CA -2.081 52.051 54.000 0.220 0.000 0.995 434 D CB 1.504 42.523 40.800 0.365 0.000 1.312 434 D HN -0.206 nan 8.370 nan 0.000 0.576 435 P HA 0.029 nan 4.420 nan 0.000 0.245 435 P C 0.874 178.116 177.300 -0.095 0.000 1.212 435 P CA 0.391 63.451 63.100 -0.066 0.000 0.774 435 P CB 0.014 31.695 31.700 -0.032 0.000 0.999 436 T N -3.588 111.001 114.554 0.059 0.000 3.107 436 T HA 0.157 4.475 4.350 -0.053 0.000 0.249 436 T C 0.423 175.289 174.700 0.276 0.000 1.096 436 T CA -0.502 61.672 62.100 0.123 0.000 1.012 436 T CB -0.876 68.052 68.868 0.100 0.000 0.977 436 T HN 0.064 nan 8.240 nan 0.000 0.527 437 F N 0.578 120.575 119.950 0.080 0.000 2.541 437 F HA 0.768 5.264 4.527 -0.051 0.000 0.331 437 F C -0.405 175.317 175.800 -0.130 0.000 1.057 437 F CA -1.511 56.546 58.000 0.096 0.000 0.975 437 F CB 1.175 40.178 39.000 0.004 0.000 1.246 437 F HN -0.001 nan 8.300 nan 0.000 0.484 438 H N 0.912 120.034 119.070 0.087 0.000 2.690 438 H HA 0.803 5.328 4.556 -0.052 0.000 0.368 438 H C -1.184 174.269 175.328 0.208 0.000 1.150 438 H CA -1.136 54.914 56.048 0.003 0.000 1.174 438 H CB 1.916 31.714 29.762 0.059 0.000 1.684 438 H HN 1.011 nan 8.280 nan 0.000 0.538 439 A N 2.311 125.292 122.820 0.269 0.000 2.498 439 A HA 0.597 4.885 4.320 -0.053 0.000 0.298 439 A C -1.203 176.572 177.584 0.318 0.000 1.075 439 A CA -0.697 51.525 52.037 0.308 0.000 0.714 439 A CB 2.429 21.591 19.000 0.270 0.000 1.299 439 A HN 0.944 nan 8.150 nan 0.000 0.407 440 H N -0.874 118.256 119.070 0.101 0.000 2.967 440 H HA 0.779 5.304 4.556 -0.053 0.000 0.318 440 H C -0.893 174.462 175.328 0.045 0.000 1.375 440 H CA 0.064 56.148 56.048 0.060 0.000 1.132 440 H CB 0.761 30.553 29.762 0.050 0.000 1.848 440 H HN 0.978 nan 8.280 nan 0.000 0.524 448 V N 2.985 122.866 119.914 -0.054 0.000 2.407 448 V HA 0.370 4.459 4.120 -0.053 0.000 0.278 448 V C -0.162 175.886 176.094 -0.076 0.000 1.037 448 V CA -0.530 61.730 62.300 -0.067 0.000 0.900 448 V CB 1.121 32.930 31.823 -0.023 0.000 0.983 448 V HN 0.517 nan 8.190 nan 0.000 0.459 449 I N 6.175 126.647 120.570 -0.162 0.000 2.304 449 I HA 0.359 4.498 4.170 -0.053 0.000 0.291 449 I C -0.174 176.000 176.117 0.095 0.000 1.018 449 I CA -0.435 60.814 61.300 -0.085 0.000 1.260 449 I CB 1.282 39.137 38.000 -0.242 0.000 1.390 449 I HN 0.320 nan 8.210 nan 0.000 0.475 450 I N 5.685 126.345 120.570 0.150 0.000 2.321 450 I HA 0.427 4.566 4.170 -0.053 0.000 0.291 450 I C 0.798 177.059 176.117 0.241 0.000 0.998 450 I CA -0.353 61.067 61.300 0.199 0.000 1.227 450 I CB 1.068 39.113 38.000 0.074 0.000 1.368 450 I HN 0.539 nan 8.210 nan 0.000 0.466 451 G N 3.518 112.494 108.800 0.293 0.000 2.400 451 G HA2 0.754 4.682 3.960 -0.053 0.000 0.333 451 G HA3 0.754 4.682 3.960 -0.053 0.000 0.333 451 G C -0.245 174.727 174.900 0.119 0.000 1.143 451 G CA -0.453 44.669 45.100 0.037 0.000 0.914 451 G HN 0.840 nan 8.290 nan 0.000 0.480 452 G N -0.149 108.661 108.800 0.017 0.000 2.782 452 G HA2 0.427 4.355 3.960 -0.053 0.000 0.304 452 G HA3 0.427 4.355 3.960 -0.053 0.000 0.304 452 G C 0.370 175.409 174.900 0.232 0.000 1.315 452 G CA -0.630 44.612 45.100 0.237 0.000 0.791 452 G HN 0.480 nan 8.290 nan 0.000 0.519 453 M N 0.069 119.916 119.600 0.413 0.000 2.441 453 M HA 0.337 4.785 4.480 -0.053 0.000 0.244 453 M C 0.851 177.188 176.300 0.061 0.000 1.122 453 M CA 0.872 56.259 55.300 0.144 0.000 1.041 453 M CB 0.844 33.451 32.600 0.012 0.000 1.438 453 M HN 0.713 nan 8.290 nan 0.000 0.484 454 G N 0.133 108.995 108.800 0.103 0.000 2.368 454 G HA2 0.174 4.102 3.960 -0.053 0.000 0.293 454 G HA3 0.174 4.102 3.960 -0.053 0.000 0.293 454 G C -0.119 174.827 174.900 0.076 0.000 1.467 454 G CA -0.499 44.622 45.100 0.036 0.000 0.804 454 G HN 0.313 nan 8.290 nan 0.000 0.535 455 E N -0.330 119.899 120.200 0.049 0.000 2.110 455 E HA -0.119 4.200 4.350 -0.053 0.000 0.193 455 E C 1.911 178.588 176.600 0.128 0.000 0.988 455 E CA 1.274 57.750 56.400 0.127 0.000 0.804 455 E CB -0.209 29.620 29.700 0.215 0.000 0.745 455 E HN 0.400 nan 8.360 nan 0.000 0.458 456 L N 0.313 121.614 121.223 0.128 0.000 2.093 456 L HA -0.127 4.182 4.340 -0.053 0.000 0.208 456 L C 2.813 179.768 176.870 0.142 0.000 1.085 456 L CA 1.326 56.244 54.840 0.129 0.000 0.755 456 L CB -0.729 41.411 42.059 0.135 0.000 0.904 456 L HN 0.234 nan 8.230 nan 0.000 0.435 457 H N 0.973 120.055 119.070 0.021 0.000 2.265 457 H HA -0.202 4.322 4.556 -0.054 0.000 0.295 457 H C 2.157 177.476 175.328 -0.014 0.000 1.084 457 H CA 1.951 57.999 56.048 -0.000 0.000 1.261 457 H CB -0.334 29.432 29.762 0.005 0.000 1.360 457 H HN 0.129 nan 8.280 nan 0.000 0.487 458 L N -0.133 121.058 121.223 -0.055 0.000 2.042 458 L HA -0.204 4.104 4.340 -0.053 0.000 0.210 458 L C 2.267 179.098 176.870 -0.065 0.000 1.076 458 L CA 1.629 56.400 54.840 -0.115 0.000 0.749 458 L CB -0.495 41.550 42.059 -0.024 0.000 0.893 458 L HN 0.316 nan 8.230 nan 0.000 0.432 459 D N 0.129 120.533 120.400 0.006 0.000 2.117 459 D HA -0.167 4.442 4.640 -0.053 0.000 0.197 459 D C 2.226 178.528 176.300 0.002 0.000 0.987 459 D CA 1.049 55.059 54.000 0.017 0.000 0.829 459 D CB -0.065 40.766 40.800 0.051 0.000 0.961 459 D HN 0.136 nan 8.370 nan 0.000 0.460 460 I N 0.767 121.346 120.570 0.016 0.000 2.208 460 I HA -0.217 3.921 4.170 -0.053 0.000 0.245 460 I C 2.525 178.620 176.117 -0.038 0.000 1.097 460 I CA 0.855 62.168 61.300 0.022 0.000 1.363 460 I CB -1.063 36.983 38.000 0.076 0.000 1.051 460 I HN 0.074 nan 8.210 nan 0.000 0.413 461 L N -0.449 120.694 121.223 -0.133 0.000 2.056 461 L HA -0.171 4.137 4.340 -0.053 0.000 0.207 461 L C 2.599 179.382 176.870 -0.145 0.000 1.078 461 L CA 0.786 55.485 54.840 -0.235 0.000 0.749 461 L CB -0.542 41.224 42.059 -0.489 0.000 0.901 461 L HN 0.014 nan 8.230 nan 0.000 0.433 462 V N -0.174 119.678 119.914 -0.103 0.000 2.358 462 V HA -0.312 3.777 4.120 -0.053 0.000 0.246 462 V C 2.168 178.255 176.094 -0.012 0.000 1.047 462 V CA 2.044 64.313 62.300 -0.052 0.000 1.035 462 V CB -0.520 31.282 31.823 -0.034 0.000 0.658 462 V HN 0.486 nan 8.190 nan 0.000 0.452 463 D N 0.233 120.630 120.400 -0.006 0.000 2.133 463 D HA -0.240 4.368 4.640 -0.053 0.000 0.192 463 D C 2.357 178.674 176.300 0.028 0.000 1.001 463 D CA 1.781 55.788 54.000 0.011 0.000 0.844 463 D CB -0.123 40.684 40.800 0.012 0.000 0.944 463 D HN 0.331 nan 8.370 nan 0.000 0.447 464 R N -0.754 119.770 120.500 0.040 0.000 2.092 464 R HA -0.043 4.265 4.340 -0.053 0.000 0.231 464 R C 2.565 178.991 176.300 0.211 0.000 1.119 464 R CA 1.072 57.231 56.100 0.099 0.000 0.970 464 R CB -0.258 30.115 30.300 0.121 0.000 0.864 464 R HN 0.363 nan 8.270 nan 0.000 0.440 465 M N 0.458 120.155 119.600 0.163 0.000 2.132 465 M HA -0.165 4.283 4.480 -0.053 0.000 0.263 465 M C 1.905 178.301 176.300 0.159 0.000 1.065 465 M CA 1.731 57.149 55.300 0.197 0.000 1.122 465 M CB -0.015 32.613 32.600 0.047 0.000 1.365 465 M HN 0.025 nan 8.290 nan 0.000 0.411 466 K N -0.658 119.790 120.400 0.082 0.000 2.228 466 K HA -0.094 4.195 4.320 -0.053 0.000 0.202 466 K C 1.884 178.506 176.600 0.036 0.000 1.051 466 K CA 0.793 57.111 56.287 0.052 0.000 0.960 466 K CB 0.135 32.652 32.500 0.027 0.000 0.743 466 K HN 0.037 nan 8.250 nan 0.000 0.458 467 K N 1.300 121.717 120.400 0.027 0.000 2.017 467 K HA -0.003 4.285 4.320 -0.053 0.000 0.207 467 K C 1.825 178.384 176.600 -0.068 0.000 1.035 467 K CA 1.266 57.544 56.287 -0.016 0.000 0.947 467 K CB 0.032 32.519 32.500 -0.023 0.000 0.749 467 K HN 0.033 nan 8.250 nan 0.000 0.443 468 E N -0.965 119.152 120.200 -0.137 0.000 2.152 468 E HA -0.073 4.246 4.350 -0.053 0.000 0.192 468 E C 0.886 177.175 176.600 -0.517 0.000 0.983 468 E CA 0.933 57.085 56.400 -0.414 0.000 0.818 468 E CB 0.085 29.327 29.700 -0.762 0.000 0.758 468 E HN 0.204 nan 8.360 nan 0.000 0.467 469 F N 0.090 120.037 119.950 -0.006 0.000 2.661 469 F HA 0.246 4.745 4.527 -0.047 0.000 0.306 469 F C 0.309 176.107 175.800 -0.004 0.000 1.094 469 F CA -0.399 57.599 58.000 -0.003 0.000 1.254 469 F CB 0.170 39.169 39.000 -0.000 0.000 1.040 469 F HN -0.191 nan 8.300 nan 0.000 0.562 470 N N 1.532 120.293 118.700 0.102 0.000 2.707 470 N HA -0.166 4.543 4.740 -0.053 0.000 0.253 470 N C -0.739 174.814 175.510 0.072 0.000 0.998 470 N CA 0.309 53.396 53.050 0.062 0.000 0.751 470 N CB -0.778 37.729 38.487 0.032 0.000 0.920 470 N HN -0.005 nan 8.380 nan 0.000 0.539 471 V N 1.290 121.255 119.914 0.085 0.000 2.408 471 V HA 0.114 4.202 4.120 -0.053 0.000 0.267 471 V C 0.682 176.797 176.094 0.036 0.000 1.047 471 V CA -0.281 62.054 62.300 0.058 0.000 0.937 471 V CB 1.604 33.460 31.823 0.055 0.000 0.999 471 V HN 0.072 nan 8.190 nan 0.000 0.472 472 E N 4.262 124.478 120.200 0.025 0.000 2.194 472 E HA 0.476 4.795 4.350 -0.053 0.000 0.284 472 E C -0.319 176.288 176.600 0.012 0.000 1.035 472 E CA -0.044 56.366 56.400 0.016 0.000 0.836 472 E CB 1.563 31.270 29.700 0.013 0.000 1.070 472 E HN 0.921 nan 8.360 nan 0.000 0.401 473 C N 1.499 120.804 119.300 0.009 0.000 3.307 473 C HA 0.484 4.913 4.460 -0.053 0.000 0.333 473 C C -1.015 173.978 174.990 0.004 0.000 1.291 473 C CA -1.250 57.771 59.018 0.006 0.000 1.273 473 C CB 1.335 29.078 27.740 0.005 0.000 1.580 473 C HN 0.572 nan 8.230 nan 0.000 0.481 474 N N 0.897 119.598 118.700 0.002 0.000 2.425 474 N HA 0.599 5.308 4.740 -0.053 0.000 0.268 474 N C -0.933 174.579 175.510 0.003 0.000 0.991 474 N CA -0.220 52.831 53.050 0.002 0.000 0.931 474 N CB 2.040 40.528 38.487 0.001 0.000 1.130 474 N HN 0.681 nan 8.380 nan 0.000 0.493 475 V N 0.960 120.877 119.914 0.004 0.000 2.459 475 V HA 0.587 4.675 4.120 -0.053 0.000 0.295 475 V C 1.059 177.159 176.094 0.010 0.000 1.029 475 V CA -0.735 61.569 62.300 0.007 0.000 0.874 475 V CB 1.582 33.409 31.823 0.007 0.000 0.985 475 V HN 0.730 nan 8.190 nan 0.000 0.438 476 G N 2.513 111.323 108.800 0.016 0.000 2.588 476 G HA2 0.607 4.536 3.960 -0.053 0.000 0.281 476 G HA3 0.607 4.536 3.960 -0.053 0.000 0.281 476 G C 0.044 174.959 174.900 0.026 0.000 1.236 476 G CA -0.062 45.051 45.100 0.021 0.000 0.969 476 G HN 1.076 nan 8.290 nan 0.000 0.504 477 A N 0.121 122.956 122.820 0.026 0.000 2.386 477 A HA 0.605 4.894 4.320 -0.053 0.000 0.248 477 A C -2.030 175.591 177.584 0.062 0.000 1.082 477 A CA -0.888 51.162 52.037 0.023 0.000 0.789 477 A CB -0.093 18.907 19.000 0.000 0.000 1.025 477 A HN 0.457 nan 8.150 nan 0.000 0.490 478 P HA 0.221 nan 4.420 nan 0.000 0.268 478 P C -0.727 176.692 177.300 0.198 0.000 1.205 478 P CA 0.646 63.844 63.100 0.162 0.000 0.771 478 P CB 0.329 32.185 31.700 0.261 0.000 0.858 479 M N 2.462 122.195 119.600 0.222 0.000 2.142 479 M HA 0.240 4.688 4.480 -0.053 0.000 0.299 479 M C -0.224 176.203 176.300 0.211 0.000 0.960 479 M CA -1.109 54.334 55.300 0.240 0.000 0.920 479 M CB 2.129 34.877 32.600 0.246 0.000 1.541 479 M HN 0.081 nan 8.290 nan 0.000 0.429 480 V N 2.591 122.582 119.914 0.128 0.000 2.655 480 V HA 0.163 4.252 4.120 -0.053 0.000 0.300 480 V C 0.465 176.429 176.094 -0.217 0.000 1.044 480 V CA 0.272 62.496 62.300 -0.125 0.000 1.095 480 V CB 1.618 33.247 31.823 -0.323 0.000 0.952 480 V HN 0.915 nan 8.190 nan 0.000 0.485 481 S N 6.226 121.861 115.700 -0.109 0.000 3.517 481 S HA 0.330 4.769 4.470 -0.053 0.000 0.284 481 S C -0.309 174.221 174.600 -0.117 0.000 1.260 481 S CA -0.398 57.819 58.200 0.028 0.000 0.975 481 S CB -1.171 62.148 63.200 0.197 0.000 1.540 481 S HN 0.697 nan 8.310 nan 0.000 0.506 482 Y N 2.817 122.978 120.300 -0.232 0.000 2.296 482 Y HA 0.461 4.980 4.550 -0.052 0.000 0.343 482 Y C 1.455 177.197 175.900 -0.263 0.000 1.292 482 Y CA -0.228 57.635 58.100 -0.395 0.000 1.490 482 Y CB 0.537 38.365 38.460 -1.053 0.000 1.359 482 Y HN 0.362 nan 8.280 nan 0.000 0.599 483 R N 0.138 120.615 120.500 -0.039 0.000 2.947 483 R HA 0.531 4.840 4.340 -0.053 0.000 0.253 483 R C -1.284 175.002 176.300 -0.022 0.000 1.208 483 R CA -1.164 54.872 56.100 -0.107 0.000 1.012 483 R CB 1.651 31.666 30.300 -0.474 0.000 1.267 483 R HN 0.718 nan 8.270 nan 0.000 0.473 484 E N -0.462 119.711 120.200 -0.046 0.000 2.367 484 E HA 0.506 4.824 4.350 -0.053 0.000 0.273 484 E C -1.086 175.472 176.600 -0.069 0.000 0.903 484 E CA -0.589 55.803 56.400 -0.013 0.000 0.764 484 E CB 2.880 32.593 29.700 0.022 0.000 1.252 484 E HN 0.394 nan 8.360 nan 0.000 0.446 485 T N 0.300 114.842 114.554 -0.020 0.000 2.787 485 T HA 0.566 4.884 4.350 -0.053 0.000 0.297 485 T C -1.680 173.096 174.700 0.127 0.000 1.221 485 T CA -0.590 61.486 62.100 -0.040 0.000 1.006 485 T CB 0.557 69.426 68.868 0.002 0.000 1.328 485 T HN 0.207 nan 8.240 nan 0.000 0.509 486 F N 1.977 121.950 119.950 0.039 0.000 2.397 486 F HA 0.567 5.063 4.527 -0.052 0.000 0.331 486 F C 1.519 177.345 175.800 0.043 0.000 1.090 486 F CA -1.207 56.815 58.000 0.036 0.000 1.065 486 F CB 1.433 40.463 39.000 0.051 0.000 1.184 486 F HN 0.495 nan 8.300 nan 0.000 0.499 487 K N 0.310 120.841 120.400 0.217 0.000 2.373 487 K HA 0.248 4.536 4.320 -0.053 0.000 0.200 487 K C 0.014 176.666 176.600 0.087 0.000 1.054 487 K CA 0.246 56.609 56.287 0.127 0.000 1.065 487 K CB 0.788 33.339 32.500 0.086 0.000 0.886 487 K HN 0.431 nan 8.250 nan 0.000 0.546 488 S N 0.139 115.875 115.700 0.060 0.000 2.671 488 S HA 0.468 4.906 4.470 -0.053 0.000 0.299 488 S C -0.567 174.052 174.600 0.032 0.000 1.116 488 S CA -0.670 57.542 58.200 0.021 0.000 0.912 488 S CB 2.138 65.317 63.200 -0.036 0.000 1.130 488 S HN -0.013 nan 8.310 nan 0.000 0.501 489 S N 0.514 116.236 115.700 0.036 0.000 2.621 489 S HA 0.939 5.378 4.470 -0.053 0.000 0.302 489 S C -0.712 173.915 174.600 0.046 0.000 1.093 489 S CA -0.744 57.500 58.200 0.073 0.000 1.017 489 S CB 1.657 64.905 63.200 0.080 0.000 1.077 489 S HN 1.029 nan 8.310 nan 0.000 0.517 490 A N 1.360 124.242 122.820 0.104 0.000 2.594 490 A HA 0.570 4.859 4.320 -0.053 0.000 0.296 490 A C -1.618 176.084 177.584 0.197 0.000 1.056 490 A CA -0.921 51.177 52.037 0.102 0.000 0.693 490 A CB 0.981 20.003 19.000 0.036 0.000 1.278 490 A HN 0.698 nan 8.150 nan 0.000 0.408 491 Q N 0.293 120.200 119.800 0.178 0.000 2.261 491 Q HA 0.595 4.903 4.340 -0.053 0.000 0.252 491 Q C -0.132 176.009 176.000 0.236 0.000 0.915 491 Q CA -0.600 55.359 55.803 0.259 0.000 0.915 491 Q CB 2.086 30.984 28.738 0.265 0.000 1.204 491 Q HN 1.167 nan 8.270 nan 0.000 0.421 492 V N -0.935 119.137 119.914 0.262 0.000 3.114 492 V HA 0.529 4.617 4.120 -0.053 0.000 0.308 492 V C -1.243 174.878 176.094 0.044 0.000 1.168 492 V CA -1.118 61.277 62.300 0.157 0.000 1.015 492 V CB 1.959 33.886 31.823 0.173 0.000 1.050 492 V HN 0.837 nan 8.190 nan 0.000 0.433 493 Q N 1.140 120.881 119.800 -0.098 0.000 2.282 493 Q HA 0.742 5.051 4.340 -0.053 0.000 0.260 493 Q C -0.277 175.643 176.000 -0.133 0.000 0.964 493 Q CA -0.270 55.343 55.803 -0.316 0.000 0.880 493 Q CB 1.923 30.351 28.738 -0.518 0.000 1.286 493 Q HN 1.332 nan 8.270 nan 0.000 0.445 494 G N 3.114 111.850 108.800 -0.106 0.000 2.544 494 G HA2 0.467 4.396 3.960 -0.053 0.000 0.313 494 G HA3 0.467 4.396 3.960 -0.053 0.000 0.313 494 G C -1.623 173.221 174.900 -0.094 0.000 1.316 494 G CA -0.475 44.595 45.100 -0.051 0.000 0.944 494 G HN 0.527 nan 8.290 nan 0.000 0.489 495 K N 2.053 122.399 120.400 -0.091 0.000 2.507 495 K HA 0.532 4.821 4.320 -0.053 0.000 0.251 495 K C -2.041 174.510 176.600 -0.082 0.000 0.943 495 K CA -0.843 55.351 56.287 -0.155 0.000 0.794 495 K CB 1.857 34.264 32.500 -0.154 0.000 1.188 495 K HN 0.313 nan 8.250 nan 0.000 0.428 496 F N 2.734 122.478 119.950 -0.342 0.000 2.449 496 F HA 0.437 4.933 4.527 -0.052 0.000 0.342 496 F C -0.634 174.999 175.800 -0.278 0.000 1.127 496 F CA -0.307 57.535 58.000 -0.262 0.000 0.975 496 F CB 1.990 40.845 39.000 -0.241 0.000 1.146 496 F HN 0.394 nan 8.300 nan 0.000 0.444 497 S N 6.824 122.122 115.700 -0.671 0.000 2.486 497 S HA 0.422 4.860 4.470 -0.053 0.000 0.144 497 S C -0.543 173.784 174.600 -0.454 0.000 1.542 497 S CA -0.507 57.449 58.200 -0.407 0.000 1.262 497 S CB -0.087 63.051 63.200 -0.104 0.000 1.462 497 S HN 0.921 nan 8.310 nan 0.000 0.381 498 R N 0.664 120.757 120.500 -0.678 0.000 3.150 498 R HA 0.554 4.862 4.340 -0.053 0.000 0.236 498 R C -0.979 175.170 176.300 -0.251 0.000 1.469 498 R CA -0.569 55.263 56.100 -0.447 0.000 1.045 498 R CB 1.079 31.066 30.300 -0.523 0.000 1.481 498 R HN 0.346 nan 8.270 nan 0.000 0.506 499 Q N 0.835 120.546 119.800 -0.148 0.000 3.075 499 Q HA 0.247 4.555 4.340 -0.053 0.000 0.318 499 Q C -1.754 174.230 176.000 -0.025 0.000 0.907 499 Q CA -0.281 55.479 55.803 -0.071 0.000 0.882 499 Q CB 1.253 29.953 28.738 -0.063 0.000 1.386 499 Q HN 0.511 nan 8.270 nan 0.000 0.408 500 S N -0.858 114.850 115.700 0.015 0.000 2.667 500 S HA 0.860 5.298 4.470 -0.053 0.000 0.304 500 S C -0.140 174.495 174.600 0.058 0.000 1.135 500 S CA -0.689 57.537 58.200 0.043 0.000 1.125 500 S CB 1.464 64.703 63.200 0.065 0.000 0.996 500 S HN 0.341 nan 8.310 nan 0.000 0.474 501 G N 0.114 108.936 108.800 0.036 0.000 2.638 501 G HA2 0.670 4.598 3.960 -0.053 0.000 0.302 501 G HA3 0.670 4.598 3.960 -0.053 0.000 0.302 501 G C 0.674 175.584 174.900 0.015 0.000 1.365 501 G CA -0.288 44.823 45.100 0.020 0.000 0.987 501 G HN 1.684 nan 8.290 nan 0.000 0.495 502 G N 0.546 109.351 108.800 0.007 0.000 2.363 502 G HA2 -0.235 3.693 3.960 -0.053 0.000 0.238 502 G HA3 -0.235 3.693 3.960 -0.053 0.000 0.238 502 G C 0.569 175.473 174.900 0.006 0.000 1.062 502 G CA 0.480 45.584 45.100 0.006 0.000 0.629 502 G HN 0.784 nan 8.290 nan 0.000 0.514 503 R N 1.099 121.605 120.500 0.011 0.000 2.599 503 R HA 0.590 4.898 4.340 -0.053 0.000 0.295 503 R C 0.603 176.903 176.300 0.000 0.000 0.963 503 R CA -0.001 56.105 56.100 0.010 0.000 0.883 503 R CB 1.269 31.585 30.300 0.026 0.000 1.171 503 R HN 0.490 nan 8.270 nan 0.000 0.450 504 G N 1.834 110.621 108.800 -0.023 0.000 2.491 504 G HA2 0.190 4.118 3.960 -0.053 0.000 0.242 504 G HA3 0.190 4.118 3.960 -0.053 0.000 0.242 504 G C -0.519 174.366 174.900 -0.025 0.000 1.266 504 G CA -0.151 44.916 45.100 -0.055 0.000 0.844 504 G HN 0.300 nan 8.290 nan 0.000 0.571 505 Q N 0.215 119.998 119.800 -0.029 0.000 2.323 505 Q HA 0.328 4.637 4.340 -0.053 0.000 0.271 505 Q C -1.924 174.099 176.000 0.038 0.000 1.048 505 Q CA -0.704 55.130 55.803 0.053 0.000 0.792 505 Q CB 2.878 31.738 28.738 0.202 0.000 1.280 505 Q HN 0.667 nan 8.270 nan 0.000 0.441 506 Y N -0.042 120.217 120.300 -0.068 0.000 2.361 506 Y HA 0.643 5.161 4.550 -0.053 0.000 0.328 506 Y C -0.760 175.002 175.900 -0.231 0.000 1.044 506 Y CA -0.431 57.602 58.100 -0.112 0.000 1.085 506 Y CB 1.968 40.383 38.460 -0.075 0.000 1.194 506 Y HN 0.672 nan 8.280 nan 0.000 0.438 507 G N 3.788 112.083 108.800 -0.842 0.000 2.746 507 G HA2 0.465 4.393 3.960 -0.053 0.000 0.297 507 G HA3 0.465 4.393 3.960 -0.053 0.000 0.297 507 G C -2.480 171.843 174.900 -0.962 0.000 1.426 507 G CA -0.672 43.668 45.100 -1.265 0.000 0.989 507 G HN 0.463 nan 8.290 nan 0.000 0.520 508 D N 0.259 120.254 120.400 -0.674 0.000 2.855 508 D HA 0.524 5.132 4.640 -0.053 0.000 0.241 508 D C -0.482 175.877 176.300 0.099 0.000 1.277 508 D CA -0.283 53.576 54.000 -0.234 0.000 0.918 508 D CB 1.876 42.594 40.800 -0.137 0.000 1.462 508 D HN 0.767 nan 8.370 nan 0.000 0.559 509 V N 0.991 120.942 119.914 0.061 0.000 2.925 509 V HA 0.676 4.764 4.120 -0.053 0.000 0.311 509 V C -1.005 175.086 176.094 -0.004 0.000 1.104 509 V CA -0.662 61.721 62.300 0.140 0.000 0.954 509 V CB 2.158 34.093 31.823 0.188 0.000 1.022 509 V HN 0.619 nan 8.190 nan 0.000 0.427 510 H N 3.895 122.870 119.070 -0.157 0.000 2.505 510 H HA 0.691 5.216 4.556 -0.053 0.000 0.338 510 H C -1.115 173.979 175.328 -0.391 0.000 1.057 510 H CA -0.443 55.422 56.048 -0.304 0.000 1.202 510 H CB 2.317 31.728 29.762 -0.585 0.000 1.466 510 H HN 0.616 nan 8.280 nan 0.000 0.499 511 I N 2.208 122.783 120.570 0.008 0.000 2.545 511 I HA 0.123 4.261 4.170 -0.053 0.000 0.292 511 I C -0.069 176.133 176.117 0.142 0.000 1.040 511 I CA -0.577 60.731 61.300 0.013 0.000 1.068 511 I CB 2.849 40.747 38.000 -0.169 0.000 1.251 511 I HN 0.511 nan 8.210 nan 0.000 0.424 512 E N 6.114 126.394 120.200 0.132 0.000 2.134 512 E HA 0.411 4.729 4.350 -0.053 0.000 0.278 512 E C -1.685 174.878 176.600 -0.063 0.000 0.959 512 E CA -0.526 55.944 56.400 0.117 0.000 0.783 512 E CB 0.962 30.700 29.700 0.064 0.000 1.095 512 E HN 0.341 nan 8.360 nan 0.000 0.399 513 F N 2.442 122.501 119.950 0.181 0.000 2.436 513 F HA 0.307 4.803 4.527 -0.053 0.000 0.340 513 F C 0.631 176.545 175.800 0.191 0.000 1.113 513 F CA -0.326 57.812 58.000 0.231 0.000 1.022 513 F CB 2.029 41.237 39.000 0.347 0.000 1.128 513 F HN 0.312 nan 8.300 nan 0.000 0.466 514 T N 1.284 116.043 114.554 0.341 0.000 2.909 514 T HA 0.594 4.913 4.350 -0.053 0.000 0.299 514 T C -3.150 171.703 174.700 0.256 0.000 1.073 514 T CA -2.930 59.315 62.100 0.241 0.000 0.999 514 T CB 2.173 71.114 68.868 0.123 0.000 1.098 514 T HN 0.082 nan 8.240 nan 0.000 0.477 515 P HA 0.271 nan 4.420 nan 0.000 0.268 515 P C -0.419 176.956 177.300 0.125 0.000 1.204 515 P CA -0.304 62.908 63.100 0.187 0.000 0.768 515 P CB 0.386 32.180 31.700 0.157 0.000 0.842 516 N N 2.078 120.844 118.700 0.111 0.000 2.463 516 N HA 0.092 4.801 4.740 -0.053 0.000 0.270 516 N C -0.114 175.439 175.510 0.071 0.000 1.205 516 N CA -0.368 52.730 53.050 0.079 0.000 0.974 516 N CB 0.410 38.942 38.487 0.075 0.000 1.197 516 N HN 0.257 nan 8.380 nan 0.000 0.504 517 E N 0.422 120.656 120.200 0.057 0.000 2.481 517 E HA -0.039 4.280 4.350 -0.053 0.000 0.263 517 E C -0.188 176.452 176.600 0.067 0.000 0.992 517 E CA 0.565 56.997 56.400 0.053 0.000 0.938 517 E CB -0.105 29.621 29.700 0.043 0.000 0.933 517 E HN 0.428 nan 8.360 nan 0.000 0.453 518 T N 1.913 116.508 114.554 0.067 0.000 2.849 518 T HA 0.174 4.492 4.350 -0.053 0.000 0.289 518 T C 1.289 176.051 174.700 0.104 0.000 1.010 518 T CA 1.023 63.176 62.100 0.088 0.000 1.161 518 T CB 0.136 69.050 68.868 0.078 0.000 0.989 518 T HN 0.692 nan 8.240 nan 0.000 0.523 519 G N 2.296 111.180 108.800 0.139 0.000 2.179 519 G HA2 -0.244 3.684 3.960 -0.053 0.000 0.260 519 G HA3 -0.244 3.684 3.960 -0.053 0.000 0.260 519 G C 0.902 175.882 174.900 0.133 0.000 0.977 519 G CA 0.194 45.393 45.100 0.164 0.000 0.641 519 G HN 1.108 nan 8.290 nan 0.000 0.533 520 A N -0.157 122.724 122.820 0.102 0.000 2.238 520 A HA 0.621 4.910 4.320 -0.053 0.000 0.210 520 A C 2.332 179.969 177.584 0.089 0.000 1.179 520 A CA 1.739 53.826 52.037 0.084 0.000 0.827 520 A CB -0.352 18.685 19.000 0.061 0.000 0.856 520 A HN 2.612 nan 8.150 nan 0.000 0.488 521 G N -0.856 108.007 108.800 0.106 0.000 2.593 521 G HA2 -0.115 3.813 3.960 -0.053 0.000 0.237 521 G HA3 -0.115 3.813 3.960 -0.053 0.000 0.237 521 G C -0.262 174.742 174.900 0.174 0.000 1.312 521 G CA -0.082 45.096 45.100 0.131 0.000 0.896 521 G HN 1.151 nan 8.290 nan 0.000 0.574 522 F N 2.162 122.136 119.950 0.040 0.000 2.394 522 F HA 0.711 5.206 4.527 -0.053 0.000 0.340 522 F C 0.244 176.088 175.800 0.074 0.000 1.105 522 F CA -0.405 57.627 58.000 0.054 0.000 1.124 522 F CB 1.518 40.547 39.000 0.049 0.000 1.145 522 F HN 0.646 nan 8.300 nan 0.000 0.505 523 E N 6.634 126.437 120.200 -0.663 0.000 2.241 523 E HA 0.250 4.568 4.350 -0.053 0.000 0.263 523 E C -2.050 174.098 176.600 -0.755 0.000 0.882 523 E CA -0.766 55.284 56.400 -0.584 0.000 0.769 523 E CB 1.266 30.824 29.700 -0.237 0.000 1.185 523 E HN 0.585 nan 8.360 nan 0.000 0.415 524 F N 3.703 123.199 119.950 -0.757 0.000 2.415 524 F HA 0.350 4.846 4.527 -0.053 0.000 0.348 524 F C -0.492 175.184 175.800 -0.207 0.000 1.119 524 F CA -0.525 57.215 58.000 -0.434 0.000 1.069 524 F CB 1.222 40.080 39.000 -0.237 0.000 1.124 524 F HN 0.420 nan 8.300 nan 0.000 0.472 525 E N 4.874 124.552 120.200 -0.870 0.000 2.176 525 E HA 0.178 4.497 4.350 -0.053 0.000 0.267 525 E C -1.368 174.749 176.600 -0.804 0.000 0.893 525 E CA -0.898 55.134 56.400 -0.615 0.000 0.761 525 E CB 1.021 30.513 29.700 -0.347 0.000 1.133 525 E HN 0.617 nan 8.360 nan 0.000 0.409 526 N N 3.400 121.841 118.700 -0.432 0.000 2.469 526 N HA 0.206 4.914 4.740 -0.053 0.000 0.239 526 N C -0.630 174.806 175.510 -0.123 0.000 1.053 526 N CA -0.051 52.867 53.050 -0.220 0.000 0.937 526 N CB 1.249 39.748 38.487 0.020 0.000 1.163 526 N HN 0.475 nan 8.380 nan 0.000 0.509 527 A N 4.822 127.583 122.820 -0.098 0.000 2.545 527 A HA 0.265 4.554 4.320 -0.053 0.000 0.277 527 A C 0.413 178.009 177.584 0.020 0.000 1.301 527 A CA -0.418 51.603 52.037 -0.027 0.000 0.935 527 A CB -0.202 18.794 19.000 -0.006 0.000 1.093 527 A HN 0.589 nan 8.150 nan 0.000 0.519 528 I N 1.230 121.808 120.570 0.014 0.000 2.556 528 I HA 0.148 4.287 4.170 -0.053 0.000 0.284 528 I C -0.237 175.895 176.117 0.025 0.000 1.114 528 I CA 0.573 61.891 61.300 0.030 0.000 1.418 528 I CB 0.944 38.960 38.000 0.026 0.000 1.394 528 I HN -0.054 nan 8.210 nan 0.000 0.552 529 V N 4.390 124.324 119.914 0.034 0.000 2.823 529 V HA 0.644 4.733 4.120 -0.053 0.000 0.312 529 V C 0.659 176.776 176.094 0.037 0.000 1.072 529 V CA -0.003 62.314 62.300 0.029 0.000 0.937 529 V CB 1.777 33.616 31.823 0.027 0.000 1.013 529 V HN 0.993 nan 8.190 nan 0.000 0.430 530 G N 2.889 111.708 108.800 0.033 0.000 2.143 530 G HA2 0.006 3.934 3.960 -0.053 0.000 0.248 530 G HA3 0.006 3.934 3.960 -0.053 0.000 0.248 530 G C 1.106 176.042 174.900 0.061 0.000 0.991 530 G CA 0.491 45.617 45.100 0.042 0.000 0.689 530 G HN 2.419 nan 8.290 nan 0.000 0.522 531 G N -1.807 107.023 108.800 0.050 0.000 2.258 531 G HA2 -0.086 3.842 3.960 -0.053 0.000 0.274 531 G HA3 -0.086 3.842 3.960 -0.053 0.000 0.274 531 G C 1.738 176.715 174.900 0.129 0.000 1.021 531 G CA 1.869 47.001 45.100 0.054 0.000 0.798 531 G HN 2.190 nan 8.290 nan 0.000 0.507 532 V N -3.414 116.581 119.914 0.134 0.000 2.515 532 V HA 0.231 4.319 4.120 -0.053 0.000 0.250 532 V C 1.325 177.593 176.094 0.290 0.000 1.058 532 V CA 1.479 63.906 62.300 0.211 0.000 1.064 532 V CB -0.233 31.674 31.823 0.138 0.000 0.675 532 V HN 0.543 nan 8.190 nan 0.000 0.461 533 V N 3.100 123.103 119.914 0.149 0.000 2.459 533 V HA 0.458 4.546 4.120 -0.053 0.000 0.295 533 V C -2.381 173.625 176.094 -0.147 0.000 1.029 533 V CA -1.927 60.409 62.300 0.059 0.000 0.874 533 V CB 1.508 33.334 31.823 0.005 0.000 0.985 533 V HN 0.294 nan 8.190 nan 0.000 0.438 534 P HA 0.120 nan 4.420 nan 0.000 0.267 534 P C 0.672 177.815 177.300 -0.262 0.000 1.205 534 P CA -0.321 62.545 63.100 -0.390 0.000 0.765 534 P CB 0.588 31.962 31.700 -0.543 0.000 0.828 535 R N 3.543 123.929 120.500 -0.190 0.000 2.139 535 R HA -0.209 4.099 4.340 -0.053 0.000 0.243 535 R C 1.539 177.734 176.300 -0.175 0.000 1.145 535 R CA 1.861 57.877 56.100 -0.140 0.000 0.976 535 R CB -0.945 29.298 30.300 -0.094 0.000 0.866 535 R HN 0.519 nan 8.270 nan 0.000 0.449 536 E N 0.328 120.367 120.200 -0.268 0.000 2.333 536 E HA -0.210 4.108 4.350 -0.053 0.000 0.198 536 E C 0.853 177.232 176.600 -0.368 0.000 1.007 536 E CA 1.048 57.243 56.400 -0.343 0.000 0.845 536 E CB -0.261 29.154 29.700 -0.474 0.000 0.766 536 E HN 0.692 nan 8.360 nan 0.000 0.507 537 Y N 0.080 120.240 120.300 -0.234 0.000 2.444 537 Y HA 0.286 4.804 4.550 -0.053 0.000 0.249 537 Y C 1.959 177.668 175.900 -0.317 0.000 1.134 537 Y CA -0.617 57.298 58.100 -0.310 0.000 1.261 537 Y CB 0.433 38.551 38.460 -0.570 0.000 1.143 537 Y HN -0.053 nan 8.280 nan 0.000 0.523 538 I N 1.069 121.577 120.570 -0.104 0.000 2.226 538 I HA -0.204 3.934 4.170 -0.053 0.000 0.245 538 I C -0.810 175.276 176.117 -0.051 0.000 1.100 538 I CA 1.047 62.323 61.300 -0.039 0.000 1.374 538 I CB -1.284 36.734 38.000 0.030 0.000 1.057 538 I HN 0.113 nan 8.210 nan 0.000 0.413 539 P HA -0.086 nan 4.420 nan 0.000 0.220 539 P C 1.735 178.972 177.300 -0.105 0.000 1.148 539 P CA 1.255 64.295 63.100 -0.101 0.000 0.803 539 P CB 0.044 31.712 31.700 -0.053 0.000 0.782 540 S N -0.802 114.883 115.700 -0.024 0.000 2.368 540 S HA -0.097 4.341 4.470 -0.053 0.000 0.224 540 S C 1.955 176.552 174.600 -0.005 0.000 1.029 540 S CA 1.091 59.303 58.200 0.021 0.000 0.988 540 S CB -1.100 62.179 63.200 0.132 0.000 0.838 540 S HN -0.042 nan 8.310 nan 0.000 0.462 541 V N 1.794 121.704 119.914 -0.007 0.000 2.255 541 V HA -0.234 3.854 4.120 -0.053 0.000 0.247 541 V C 2.448 178.452 176.094 -0.149 0.000 1.051 541 V CA 2.161 64.472 62.300 0.017 0.000 1.018 541 V CB -0.662 31.233 31.823 0.120 0.000 0.641 541 V HN 0.544 nan 8.190 nan 0.000 0.445 542 E N 0.210 120.111 120.200 -0.498 0.000 2.085 542 E HA -0.240 4.079 4.350 -0.053 0.000 0.194 542 E C 2.218 178.672 176.600 -0.243 0.000 0.994 542 E CA 1.463 57.448 56.400 -0.693 0.000 0.801 542 E CB -0.246 28.828 29.700 -1.043 0.000 0.743 542 E HN 0.566 nan 8.360 nan 0.000 0.453 543 A N 0.656 123.372 122.820 -0.172 0.000 1.898 543 A HA -0.058 4.230 4.320 -0.053 0.000 0.216 543 A C 2.417 179.950 177.584 -0.085 0.000 1.181 543 A CA 1.585 53.562 52.037 -0.099 0.000 0.620 543 A CB -1.118 17.842 19.000 -0.066 0.000 0.819 543 A HN 0.455 nan 8.150 nan 0.000 0.442 544 G N -0.121 108.641 108.800 -0.063 0.000 2.418 544 G HA2 -0.180 3.749 3.960 -0.053 0.000 0.217 544 G HA3 -0.180 3.749 3.960 -0.053 0.000 0.217 544 G C 1.560 176.435 174.900 -0.041 0.000 1.158 544 G CA 1.041 46.115 45.100 -0.043 0.000 0.771 544 G HN 0.426 nan 8.290 nan 0.000 0.545 545 L N -0.141 121.071 121.223 -0.019 0.000 2.017 545 L HA -0.075 4.233 4.340 -0.053 0.000 0.208 545 L C 3.026 179.789 176.870 -0.178 0.000 1.073 545 L CA 1.319 56.159 54.840 -0.001 0.000 0.745 545 L CB -0.322 41.825 42.059 0.148 0.000 0.894 545 L HN 0.179 nan 8.230 nan 0.000 0.432 546 K N -0.069 120.174 120.400 -0.260 0.000 2.009 546 K HA -0.204 4.085 4.320 -0.053 0.000 0.210 546 K C 1.754 178.226 176.600 -0.215 0.000 1.049 546 K CA 1.828 57.910 56.287 -0.341 0.000 0.929 546 K CB -0.254 32.099 32.500 -0.245 0.000 0.714 546 K HN 0.293 nan 8.250 nan 0.000 0.440 547 D N 0.522 120.837 120.400 -0.143 0.000 2.092 547 D HA -0.169 4.440 4.640 -0.053 0.000 0.193 547 D C 1.826 178.064 176.300 -0.104 0.000 0.994 547 D CA 1.528 55.463 54.000 -0.108 0.000 0.828 547 D CB -0.351 40.400 40.800 -0.083 0.000 0.963 547 D HN 0.225 nan 8.370 nan 0.000 0.450 548 A N 0.656 123.418 122.820 -0.097 0.000 1.902 548 A HA -0.172 4.116 4.320 -0.053 0.000 0.217 548 A C 2.290 179.812 177.584 -0.104 0.000 1.181 548 A CA 1.533 53.519 52.037 -0.084 0.000 0.623 548 A CB -0.618 18.349 19.000 -0.055 0.000 0.818 548 A HN 0.171 nan 8.150 nan 0.000 0.443 549 M N -1.004 118.510 119.600 -0.143 0.000 2.213 549 M HA -0.170 4.278 4.480 -0.053 0.000 0.263 549 M C 2.128 178.341 176.300 -0.145 0.000 1.062 549 M CA 1.836 57.032 55.300 -0.173 0.000 1.105 549 M CB -0.360 32.084 32.600 -0.260 0.000 1.385 549 M HN 0.654 nan 8.290 nan 0.000 0.417 550 E N 0.629 120.748 120.200 -0.135 0.000 2.204 550 E HA -0.196 4.122 4.350 -0.053 0.000 0.195 550 E C 1.305 177.856 176.600 -0.082 0.000 0.990 550 E CA 0.969 57.307 56.400 -0.104 0.000 0.821 550 E CB 0.086 29.727 29.700 -0.099 0.000 0.750 550 E HN 0.489 nan 8.360 nan 0.000 0.477 551 N N 0.300 118.949 118.700 -0.084 0.000 2.463 551 N HA 0.034 4.742 4.740 -0.053 0.000 0.181 551 N C 0.639 176.100 175.510 -0.082 0.000 1.078 551 N CA 0.973 53.975 53.050 -0.080 0.000 0.902 551 N CB 0.487 38.929 38.487 -0.075 0.000 0.970 551 N HN 0.288 nan 8.380 nan 0.000 0.451 552 G N -0.058 108.697 108.800 -0.075 0.000 2.846 552 G HA2 -0.226 3.702 3.960 -0.053 0.000 0.660 552 G HA3 -0.226 3.702 3.960 -0.053 0.000 0.660 552 G C 0.511 175.383 174.900 -0.048 0.000 1.464 552 G CA -0.038 45.028 45.100 -0.057 0.000 0.891 552 G HN 0.421 nan 8.290 nan 0.000 0.552 553 V N -3.125 116.779 119.914 -0.016 0.000 3.497 553 V HA 0.589 4.678 4.120 -0.053 0.000 0.272 553 V C 1.793 177.897 176.094 0.017 0.000 1.474 553 V CA 1.517 63.822 62.300 0.008 0.000 1.025 553 V CB 0.489 32.351 31.823 0.065 0.000 0.820 553 V HN 1.448 nan 8.190 nan 0.000 0.437 554 L N 0.822 122.059 121.223 0.023 0.000 2.586 554 L HA 0.814 5.122 4.340 -0.053 0.000 0.204 554 L C 1.774 178.647 176.870 0.004 0.000 1.053 554 L CA 1.856 56.711 54.840 0.026 0.000 0.856 554 L CB 0.541 42.635 42.059 0.057 0.000 1.192 554 L HN 0.254 nan 8.230 nan 0.000 0.484 555 A N -1.661 121.160 122.820 0.001 0.000 2.661 555 A HA 0.600 4.888 4.320 -0.053 0.000 0.278 555 A C 1.179 178.585 177.584 -0.296 0.000 1.090 555 A CA 0.380 52.380 52.037 -0.060 0.000 0.969 555 A CB -0.086 18.965 19.000 0.086 0.000 1.240 555 A HN 0.817 nan 8.150 nan 0.000 0.578 556 G N -1.135 107.521 108.800 -0.239 0.000 2.132 556 G HA2 -0.262 3.667 3.960 -0.053 0.000 0.234 556 G HA3 -0.262 3.667 3.960 -0.053 0.000 0.234 556 G C -0.265 174.383 174.900 -0.421 0.000 0.989 556 G CA 0.362 45.267 45.100 -0.325 0.000 0.676 556 G HN 0.471 nan 8.290 nan 0.000 0.522 557 Y N 0.081 120.375 120.300 -0.009 0.000 2.387 557 Y HA 0.546 5.065 4.550 -0.053 0.000 0.330 557 Y C -1.887 173.985 175.900 -0.046 0.000 1.133 557 Y CA -2.868 55.231 58.100 -0.002 0.000 1.152 557 Y CB 1.189 39.680 38.460 0.051 0.000 1.215 557 Y HN -0.077 nan 8.280 nan 0.000 0.466 558 P HA -0.079 nan 4.420 nan 0.000 0.260 558 P C -0.592 176.670 177.300 -0.063 0.000 1.172 558 P CA 0.146 63.233 63.100 -0.022 0.000 0.760 558 P CB 0.375 32.053 31.700 -0.038 0.000 0.773 559 L N 6.088 127.242 121.223 -0.114 0.000 2.331 559 L HA 0.461 4.770 4.340 -0.053 0.000 0.278 559 L C 0.061 176.829 176.870 -0.170 0.000 1.106 559 L CA -0.069 54.667 54.840 -0.172 0.000 0.824 559 L CB -0.096 41.806 42.059 -0.262 0.000 1.142 559 L HN 0.327 nan 8.230 nan 0.000 0.443 560 I N -0.293 120.185 120.570 -0.154 0.000 3.174 560 I HA 0.553 4.691 4.170 -0.053 0.000 0.313 560 I C -1.020 175.074 176.117 -0.039 0.000 1.155 560 I CA -0.920 60.328 61.300 -0.087 0.000 0.977 560 I CB 2.103 40.035 38.000 -0.113 0.000 1.248 560 I HN 0.508 nan 8.210 nan 0.000 0.453 561 D N 1.200 121.626 120.400 0.044 0.000 2.705 561 D HA -0.098 4.510 4.640 -0.053 0.000 0.240 561 D C -0.885 175.466 176.300 0.084 0.000 1.137 561 D CA 0.543 54.587 54.000 0.072 0.000 0.677 561 D CB -0.982 39.853 40.800 0.059 0.000 1.049 561 D HN 0.388 nan 8.370 nan 0.000 0.427 562 V N 0.218 120.217 119.914 0.141 0.000 2.709 562 V HA 0.349 4.437 4.120 -0.053 0.000 0.308 562 V C 0.371 176.616 176.094 0.252 0.000 1.062 562 V CA -0.899 61.514 62.300 0.189 0.000 0.901 562 V CB 2.626 34.505 31.823 0.095 0.000 1.003 562 V HN -0.040 nan 8.190 nan 0.000 0.425 563 K N 2.869 123.381 120.400 0.186 0.000 2.138 563 K HA 0.867 5.156 4.320 -0.053 0.000 0.263 563 K C -0.537 176.117 176.600 0.090 0.000 0.965 563 K CA -0.475 55.848 56.287 0.061 0.000 0.868 563 K CB 2.202 34.702 32.500 0.000 0.000 1.083 563 K HN 0.784 nan 8.250 nan 0.000 0.443 564 A N 2.664 125.458 122.820 -0.044 0.000 2.356 564 A HA 0.424 4.713 4.320 -0.053 0.000 0.310 564 A C -1.148 176.249 177.584 -0.311 0.000 1.075 564 A CA -0.734 51.192 52.037 -0.185 0.000 0.746 564 A CB 1.032 20.038 19.000 0.011 0.000 1.221 564 A HN 0.715 nan 8.150 nan 0.000 0.443 565 K N 2.877 123.095 120.400 -0.304 0.000 2.450 565 K HA 0.531 4.820 4.320 -0.053 0.000 0.257 565 K C -1.601 174.914 176.600 -0.140 0.000 0.953 565 K CA -0.661 55.455 56.287 -0.284 0.000 0.844 565 K CB 1.186 33.591 32.500 -0.159 0.000 1.103 565 K HN 0.607 nan 8.250 nan 0.000 0.429 566 L N 6.507 127.581 121.223 -0.249 0.000 2.278 566 L HA 0.252 4.560 4.340 -0.053 0.000 0.287 566 L C -0.550 176.329 176.870 0.015 0.000 1.072 566 L CA 0.276 55.073 54.840 -0.071 0.000 0.819 566 L CB 0.324 42.396 42.059 0.022 0.000 1.176 566 L HN 0.804 nan 8.230 nan 0.000 0.435 567 Y N 1.341 121.636 120.300 -0.009 0.000 2.515 567 Y HA 0.566 5.085 4.550 -0.053 0.000 0.267 567 Y C -0.233 175.675 175.900 0.013 0.000 1.058 567 Y CA -0.728 57.364 58.100 -0.014 0.000 1.231 567 Y CB 0.278 38.717 38.460 -0.035 0.000 1.350 567 Y HN 0.497 nan 8.280 nan 0.000 0.554 568 D N -0.326 119.821 120.400 -0.422 0.000 2.643 568 D HA 0.628 5.236 4.640 -0.053 0.000 0.283 568 D C -0.296 175.993 176.300 -0.019 0.000 1.242 568 D CA 0.506 54.359 54.000 -0.245 0.000 0.863 568 D CB 2.159 42.646 40.800 -0.522 0.000 1.382 568 D HN 0.513 nan 8.370 nan 0.000 0.444 569 G N -0.390 108.477 108.800 0.112 0.000 2.333 569 G HA2 0.527 4.455 3.960 -0.053 0.000 0.288 569 G HA3 0.527 4.455 3.960 -0.053 0.000 0.288 569 G C -1.441 173.638 174.900 0.298 0.000 1.286 569 G CA 0.222 45.491 45.100 0.281 0.000 0.865 569 G HN 1.109 nan 8.290 nan 0.000 0.506 570 S N -1.620 114.320 115.700 0.400 0.000 2.656 570 S HA 0.924 5.362 4.470 -0.053 0.000 0.273 570 S C -0.986 174.060 174.600 0.744 0.000 1.168 570 S CA -0.098 58.381 58.200 0.465 0.000 0.817 570 S CB 1.970 65.377 63.200 0.345 0.000 1.146 570 S HN 2.391 nan 8.310 nan 0.000 0.475 571 Y N -1.376 119.240 120.300 0.528 0.000 2.705 571 Y HA 0.751 5.269 4.550 -0.053 0.000 0.332 571 Y C -1.239 174.847 175.900 0.309 0.000 1.221 571 Y CA -1.108 57.355 58.100 0.606 0.000 1.059 571 Y CB 0.858 39.666 38.460 0.579 0.000 1.298 571 Y HN 1.018 nan 8.280 nan 0.000 0.459 572 H N 1.412 120.657 119.070 0.291 0.000 2.589 572 H HA 0.272 4.796 4.556 -0.053 0.000 0.351 572 H C -0.330 175.142 175.328 0.239 0.000 1.074 572 H CA -0.389 55.650 56.048 -0.015 0.000 1.203 572 H CB 2.222 31.883 29.762 -0.169 0.000 1.558 572 H HN 0.983 nan 8.280 nan 0.000 0.522 573 D N 2.968 123.330 120.400 -0.063 0.000 2.172 573 D HA -0.159 4.449 4.640 -0.053 0.000 0.196 573 D C 1.877 178.322 176.300 0.242 0.000 0.999 573 D CA 2.224 56.300 54.000 0.127 0.000 0.856 573 D CB 0.464 41.233 40.800 -0.052 0.000 0.934 573 D HN 0.481 nan 8.370 nan 0.000 0.453 574 V N -3.777 116.348 119.914 0.351 0.000 3.250 574 V HA 0.199 4.288 4.120 -0.053 0.000 0.240 574 V C 1.249 177.523 176.094 0.301 0.000 1.275 574 V CA 0.236 62.714 62.300 0.297 0.000 1.206 574 V CB 0.179 32.133 31.823 0.219 0.000 0.976 574 V HN -0.249 nan 8.190 nan 0.000 0.467 575 D N 1.631 122.252 120.400 0.368 0.000 2.349 575 D HA 0.219 4.827 4.640 -0.053 0.000 0.215 575 D C 1.078 177.487 176.300 0.183 0.000 1.016 575 D CA 0.538 54.595 54.000 0.095 0.000 0.870 575 D CB 0.286 40.904 40.800 -0.303 0.000 0.917 575 D HN 0.455 nan 8.370 nan 0.000 0.524 576 S N -0.248 115.648 115.700 0.326 0.000 2.593 576 S HA 0.475 4.913 4.470 -0.053 0.000 0.269 576 S C 0.331 175.028 174.600 0.162 0.000 1.334 576 S CA -0.450 57.918 58.200 0.280 0.000 1.015 576 S CB 1.054 64.560 63.200 0.511 0.000 0.912 576 S HN 0.291 nan 8.310 nan 0.000 0.541 577 S N 0.862 116.503 115.700 -0.100 0.000 2.615 577 S HA 0.385 4.824 4.470 -0.053 0.000 0.269 577 S C 0.291 174.634 174.600 -0.429 0.000 1.161 577 S CA -0.932 57.198 58.200 -0.117 0.000 0.817 577 S CB 0.730 63.965 63.200 0.058 0.000 1.131 577 S HN 0.582 nan 8.310 nan 0.000 0.467 578 E N -0.022 120.169 120.200 -0.016 0.000 2.085 578 E HA -0.186 4.132 4.350 -0.053 0.000 0.194 578 E C 1.639 178.243 176.600 0.006 0.000 0.994 578 E CA 1.592 58.049 56.400 0.095 0.000 0.801 578 E CB -0.295 29.546 29.700 0.235 0.000 0.743 578 E HN 0.534 nan 8.360 nan 0.000 0.453 579 M N 1.059 120.654 119.600 -0.008 0.000 2.108 579 M HA -0.119 4.329 4.480 -0.053 0.000 0.261 579 M C 2.116 178.341 176.300 -0.124 0.000 1.066 579 M CA 1.732 57.000 55.300 -0.054 0.000 1.107 579 M CB -0.551 32.025 32.600 -0.040 0.000 1.356 579 M HN 0.100 nan 8.290 nan 0.000 0.406 580 A N -1.130 121.617 122.820 -0.122 0.000 1.933 580 A HA -0.148 4.140 4.320 -0.053 0.000 0.218 580 A C 2.024 179.430 177.584 -0.297 0.000 1.175 580 A CA 1.630 53.563 52.037 -0.174 0.000 0.628 580 A CB -1.165 17.765 19.000 -0.118 0.000 0.814 580 A HN 0.512 nan 8.150 nan 0.000 0.444 581 F N 0.106 119.940 119.950 -0.195 0.000 2.259 581 F HA -0.016 4.479 4.527 -0.053 0.000 0.298 581 F C 2.288 178.026 175.800 -0.103 0.000 1.088 581 F CA 1.452 59.368 58.000 -0.140 0.000 1.358 581 F CB -0.047 38.867 39.000 -0.144 0.000 1.040 581 F HN 0.114 nan 8.300 nan 0.000 0.505 582 K N 0.235 120.654 120.400 0.031 0.000 2.057 582 K HA -0.150 4.139 4.320 -0.053 0.000 0.207 582 K C 2.022 178.563 176.600 -0.098 0.000 1.049 582 K CA 1.542 57.813 56.287 -0.026 0.000 0.931 582 K CB -0.354 32.117 32.500 -0.050 0.000 0.714 582 K HN 0.281 nan 8.250 nan 0.000 0.440 583 I N 0.800 121.241 120.570 -0.216 0.000 2.353 583 I HA -0.218 3.921 4.170 -0.053 0.000 0.248 583 I C 2.485 178.463 176.117 -0.232 0.000 1.119 583 I CA 0.776 61.870 61.300 -0.342 0.000 1.417 583 I CB -0.348 37.185 38.000 -0.778 0.000 1.078 583 I HN 0.121 nan 8.210 nan 0.000 0.421 584 A N 0.912 123.621 122.820 -0.185 0.000 1.940 584 A HA -0.189 4.099 4.320 -0.053 0.000 0.219 584 A C 2.531 180.115 177.584 -0.000 0.000 1.176 584 A CA 1.959 53.935 52.037 -0.101 0.000 0.631 584 A CB -0.740 18.142 19.000 -0.195 0.000 0.814 584 A HN 0.435 nan 8.150 nan 0.000 0.446 585 A N -1.042 121.806 122.820 0.046 0.000 1.898 585 A HA -0.052 4.236 4.320 -0.053 0.000 0.216 585 A C 2.452 180.101 177.584 0.109 0.000 1.181 585 A CA 1.988 54.099 52.037 0.124 0.000 0.620 585 A CB -0.944 18.135 19.000 0.131 0.000 0.819 585 A HN 0.542 nan 8.150 nan 0.000 0.442 586 S N -0.257 115.457 115.700 0.023 0.000 2.359 586 S HA -0.144 4.294 4.470 -0.053 0.000 0.224 586 S C 1.933 176.533 174.600 -0.001 0.000 1.035 586 S CA 1.637 59.833 58.200 -0.007 0.000 1.018 586 S CB -0.518 62.640 63.200 -0.069 0.000 0.876 586 S HN 0.496 nan 8.310 nan 0.000 0.448 587 L N 1.002 122.219 121.223 -0.010 0.000 2.083 587 L HA -0.068 4.240 4.340 -0.053 0.000 0.209 587 L C 2.934 179.822 176.870 0.030 0.000 1.083 587 L CA 1.153 55.994 54.840 0.001 0.000 0.752 587 L CB -0.756 41.305 42.059 0.002 0.000 0.899 587 L HN 0.399 nan 8.230 nan 0.000 0.433 588 A N 0.177 123.046 122.820 0.082 0.000 1.908 588 A HA -0.234 4.054 4.320 -0.053 0.000 0.218 588 A C 2.244 179.900 177.584 0.121 0.000 1.181 588 A CA 1.782 53.918 52.037 0.165 0.000 0.627 588 A CB -0.677 18.503 19.000 0.300 0.000 0.818 588 A HN 0.330 nan 8.150 nan 0.000 0.445 589 L N -0.367 120.904 121.223 0.080 0.000 2.056 589 L HA -0.112 4.197 4.340 -0.053 0.000 0.207 589 L C 2.245 179.056 176.870 -0.099 0.000 1.078 589 L CA 2.189 56.957 54.840 -0.121 0.000 0.749 589 L CB -0.421 41.619 42.059 -0.032 0.000 0.901 589 L HN 0.328 nan 8.230 nan 0.000 0.433 590 K N -0.750 119.627 120.400 -0.040 0.000 2.063 590 K HA -0.237 4.051 4.320 -0.053 0.000 0.208 590 K C 2.094 178.665 176.600 -0.049 0.000 1.048 590 K CA 1.569 57.835 56.287 -0.035 0.000 0.928 590 K CB -0.093 32.392 32.500 -0.024 0.000 0.713 590 K HN 0.223 nan 8.250 nan 0.000 0.442 591 E N 0.676 120.851 120.200 -0.042 0.000 2.077 591 E HA -0.122 4.197 4.350 -0.053 0.000 0.193 591 E C 1.704 178.246 176.600 -0.097 0.000 0.989 591 E CA 1.465 57.838 56.400 -0.045 0.000 0.800 591 E CB -0.156 29.538 29.700 -0.009 0.000 0.746 591 E HN 0.302 nan 8.360 nan 0.000 0.452 592 A N 0.557 123.281 122.820 -0.160 0.000 1.972 592 A HA -0.038 4.250 4.320 -0.053 0.000 0.219 592 A C 2.378 179.689 177.584 -0.455 0.000 1.169 592 A CA 1.813 53.661 52.037 -0.314 0.000 0.635 592 A CB -0.837 17.797 19.000 -0.609 0.000 0.810 592 A HN 0.338 nan 8.150 nan 0.000 0.446 593 A N 0.036 122.701 122.820 -0.259 0.000 1.978 593 A HA -0.179 4.109 4.320 -0.053 0.000 0.220 593 A C 2.023 179.500 177.584 -0.178 0.000 1.170 593 A CA 1.809 53.744 52.037 -0.170 0.000 0.636 593 A CB -0.406 18.608 19.000 0.024 0.000 0.810 593 A HN 0.565 nan 8.150 nan 0.000 0.448 594 K N -0.886 119.428 120.400 -0.143 0.000 2.365 594 K HA -0.038 4.251 4.320 -0.053 0.000 0.199 594 K C 1.357 177.880 176.600 -0.128 0.000 1.045 594 K CA 1.303 57.526 56.287 -0.106 0.000 0.962 594 K CB 0.008 32.465 32.500 -0.071 0.000 0.759 594 K HN 0.428 nan 8.250 nan 0.000 0.469 595 K N -1.249 119.034 120.400 -0.196 0.000 2.464 595 K HA 0.147 4.435 4.320 -0.053 0.000 0.206 595 K C 0.613 177.074 176.600 -0.231 0.000 1.186 595 K CA -0.008 56.178 56.287 -0.169 0.000 0.990 595 K CB 0.992 33.420 32.500 -0.120 0.000 1.003 595 K HN -0.024 nan 8.250 nan 0.000 0.562 596 C N 2.393 121.431 119.300 -0.437 0.000 2.668 596 C HA 0.173 4.602 4.460 -0.053 0.000 0.301 596 C C -0.580 174.210 174.990 -0.334 0.000 1.351 596 C CA -0.758 57.947 59.018 -0.522 0.000 1.757 596 C CB -1.223 25.825 27.740 -1.153 0.000 2.179 596 C HN 0.466 nan 8.230 nan 0.000 0.586 597 D N 2.074 122.362 120.400 -0.187 0.000 2.904 597 D HA -0.121 4.487 4.640 -0.053 0.000 0.231 597 D C -2.245 174.079 176.300 0.040 0.000 1.185 597 D CA 0.672 54.640 54.000 -0.053 0.000 0.783 597 D CB -0.551 40.238 40.800 -0.017 0.000 0.961 597 D HN 0.337 nan 8.370 nan 0.000 0.409 598 P HA 0.156 nan 4.420 nan 0.000 0.271 598 P C 0.103 177.480 177.300 0.129 0.000 1.218 598 P CA -0.194 63.048 63.100 0.236 0.000 0.780 598 P CB 1.470 33.323 31.700 0.254 0.000 0.901 599 V N 0.365 120.353 119.914 0.124 0.000 3.078 599 V HA 0.562 4.651 4.120 -0.053 0.000 0.311 599 V C -0.246 175.887 176.094 0.066 0.000 1.138 599 V CA -1.298 61.049 62.300 0.079 0.000 1.007 599 V CB 1.824 33.691 31.823 0.072 0.000 1.045 599 V HN 0.292 nan 8.190 nan 0.000 0.432 600 I N 2.645 123.241 120.570 0.044 0.000 2.428 600 I HA 0.431 4.570 4.170 -0.053 0.000 0.289 600 I C -0.366 175.785 176.117 0.058 0.000 1.019 600 I CA -0.262 61.054 61.300 0.027 0.000 1.351 600 I CB 1.245 39.214 38.000 -0.051 0.000 1.412 600 I HN 0.451 nan 8.210 nan 0.000 0.513 601 L N 6.512 127.784 121.223 0.082 0.000 2.331 601 L HA 0.525 4.833 4.340 -0.053 0.000 0.275 601 L C -0.155 176.908 176.870 0.321 0.000 1.022 601 L CA -0.650 54.287 54.840 0.161 0.000 0.812 601 L CB 1.545 43.660 42.059 0.092 0.000 1.257 601 L HN 0.635 nan 8.230 nan 0.000 0.435 602 E N 2.247 122.667 120.200 0.367 0.000 2.277 602 E HA 0.547 4.866 4.350 -0.053 0.000 0.266 602 E C -2.817 173.890 176.600 0.178 0.000 0.901 602 E CA -2.498 54.094 56.400 0.322 0.000 0.782 602 E CB 2.026 31.886 29.700 0.267 0.000 1.228 602 E HN 0.180 nan 8.360 nan 0.000 0.424 603 P HA 0.067 nan 4.420 nan 0.000 0.271 603 P C -0.623 176.499 177.300 -0.297 0.000 1.226 603 P CA 0.061 62.990 63.100 -0.285 0.000 0.765 603 P CB 0.384 31.986 31.700 -0.163 0.000 0.835 604 M N 4.318 123.600 119.600 -0.530 0.000 2.113 604 M HA 0.359 4.807 4.480 -0.053 0.000 0.352 604 M C 0.137 176.126 176.300 -0.518 0.000 1.170 604 M CA -0.430 54.548 55.300 -0.538 0.000 1.053 604 M CB 0.773 32.827 32.600 -0.910 0.000 1.601 604 M HN 0.232 nan 8.290 nan 0.000 0.459 605 M N 2.553 121.993 119.600 -0.267 0.000 2.318 605 M HA 0.366 4.815 4.480 -0.053 0.000 0.347 605 M C 0.083 176.355 176.300 -0.048 0.000 1.175 605 M CA -0.402 54.792 55.300 -0.176 0.000 1.075 605 M CB 0.738 33.251 32.600 -0.145 0.000 1.614 605 M HN 0.481 nan 8.290 nan 0.000 0.456 606 K N 2.401 122.807 120.400 0.010 0.000 2.316 606 K HA 0.412 4.700 4.320 -0.053 0.000 0.289 606 K C -1.396 175.152 176.600 -0.086 0.000 1.070 606 K CA -0.208 56.060 56.287 -0.031 0.000 0.928 606 K CB 0.453 33.014 32.500 0.100 0.000 1.039 606 K HN 0.538 nan 8.250 nan 0.000 0.480 607 V N 4.694 124.492 119.914 -0.194 0.000 2.313 607 V HA 0.144 4.232 4.120 -0.053 0.000 0.278 607 V C -0.298 175.722 176.094 -0.124 0.000 1.017 607 V CA -0.773 61.430 62.300 -0.161 0.000 0.823 607 V CB 1.303 32.954 31.823 -0.288 0.000 1.010 607 V HN 0.768 nan 8.190 nan 0.000 0.443 608 T N 6.963 121.494 114.554 -0.039 0.000 2.728 608 T HA 0.619 4.937 4.350 -0.053 0.000 0.296 608 T C -0.108 174.615 174.700 0.038 0.000 0.940 608 T CA 0.094 62.181 62.100 -0.021 0.000 1.013 608 T CB 0.302 69.169 68.868 -0.001 0.000 0.912 608 T HN 0.397 nan 8.240 nan 0.000 0.484 609 I N 2.907 123.500 120.570 0.038 0.000 2.378 609 I HA 0.392 4.531 4.170 -0.053 0.000 0.291 609 I C 0.295 176.451 176.117 0.065 0.000 0.992 609 I CA -0.652 60.707 61.300 0.098 0.000 1.154 609 I CB 1.725 39.788 38.000 0.106 0.000 1.315 609 I HN 0.525 nan 8.210 nan 0.000 0.448 610 E N 8.288 128.532 120.200 0.073 0.000 2.165 610 E HA 0.584 4.902 4.350 -0.053 0.000 0.266 610 E C -1.178 175.471 176.600 0.082 0.000 0.889 610 E CA -0.842 55.593 56.400 0.058 0.000 0.756 610 E CB 1.196 30.916 29.700 0.032 0.000 1.131 610 E HN 0.562 nan 8.360 nan 0.000 0.411 611 M N 2.334 121.988 119.600 0.091 0.000 2.569 611 M HA 0.578 5.026 4.480 -0.053 0.000 0.279 611 M C -3.040 173.341 176.300 0.136 0.000 1.253 611 M CA -2.746 52.636 55.300 0.136 0.000 0.867 611 M CB 0.520 33.225 32.600 0.174 0.000 1.727 611 M HN 0.047 nan 8.290 nan 0.000 0.467 612 P HA 0.039 nan 4.420 nan 0.000 0.264 612 P C 0.173 177.445 177.300 -0.045 0.000 1.183 612 P CA 0.528 63.651 63.100 0.040 0.000 0.763 612 P CB 0.277 31.986 31.700 0.015 0.000 0.807 613 E N 3.700 123.851 120.200 -0.081 0.000 2.204 613 E HA -0.255 4.063 4.350 -0.053 0.000 0.195 613 E C 1.330 177.857 176.600 -0.121 0.000 0.990 613 E CA 1.244 57.605 56.400 -0.065 0.000 0.821 613 E CB -0.881 28.789 29.700 -0.050 0.000 0.750 613 E HN 0.518 nan 8.360 nan 0.000 0.477 614 E N 0.581 120.618 120.200 -0.272 0.000 2.333 614 E HA -0.225 4.094 4.350 -0.053 0.000 0.198 614 E C 0.580 177.002 176.600 -0.296 0.000 1.007 614 E CA 0.893 57.092 56.400 -0.336 0.000 0.845 614 E CB -0.443 28.992 29.700 -0.442 0.000 0.766 614 E HN 0.521 nan 8.360 nan 0.000 0.507 615 Y N 0.331 120.623 120.300 -0.013 0.000 2.461 615 Y HA 0.304 4.823 4.550 -0.052 0.000 0.277 615 Y C 2.120 178.013 175.900 -0.012 0.000 1.182 615 Y CA -0.167 57.924 58.100 -0.016 0.000 1.276 615 Y CB -0.283 38.166 38.460 -0.019 0.000 1.087 615 Y HN -0.074 nan 8.280 nan 0.000 0.519 616 M N -0.357 119.295 119.600 0.087 0.000 2.106 616 M HA -0.198 4.250 4.480 -0.053 0.000 0.259 616 M C 2.516 178.847 176.300 0.052 0.000 1.068 616 M CA 2.020 57.355 55.300 0.058 0.000 1.100 616 M CB -0.710 31.904 32.600 0.025 0.000 1.351 616 M HN 0.491 nan 8.290 nan 0.000 0.404 617 G N 0.233 109.062 108.800 0.047 0.000 2.491 617 G HA2 -0.249 3.680 3.960 -0.053 0.000 0.218 617 G HA3 -0.249 3.680 3.960 -0.053 0.000 0.218 617 G C 1.080 176.002 174.900 0.037 0.000 1.180 617 G CA 1.397 46.518 45.100 0.036 0.000 0.774 617 G HN 0.369 nan 8.290 nan 0.000 0.562 618 D N 0.256 120.685 120.400 0.049 0.000 2.149 618 D HA -0.046 4.562 4.640 -0.053 0.000 0.201 618 D C 2.494 178.799 176.300 0.008 0.000 0.972 618 D CA 0.326 54.340 54.000 0.023 0.000 0.835 618 D CB -0.105 40.703 40.800 0.013 0.000 0.966 618 D HN 0.196 nan 8.370 nan 0.000 0.476 619 I N 0.572 121.158 120.570 0.027 0.000 2.226 619 I HA -0.207 3.932 4.170 -0.053 0.000 0.245 619 I C 2.170 178.308 176.117 0.034 0.000 1.100 619 I CA 0.988 62.301 61.300 0.023 0.000 1.374 619 I CB -0.361 37.669 38.000 0.049 0.000 1.057 619 I HN -0.056 nan 8.210 nan 0.000 0.413 620 M N 0.110 119.730 119.600 0.033 0.000 2.156 620 M HA 0.021 4.469 4.480 -0.053 0.000 0.264 620 M C 2.321 178.637 176.300 0.026 0.000 1.067 620 M CA 1.543 56.860 55.300 0.029 0.000 1.131 620 M CB -1.655 30.960 32.600 0.025 0.000 1.368 620 M HN 0.256 nan 8.290 nan 0.000 0.416 621 G N -0.609 108.204 108.800 0.021 0.000 2.469 621 G HA2 -0.316 3.612 3.960 -0.053 0.000 0.219 621 G HA3 -0.316 3.612 3.960 -0.053 0.000 0.219 621 G C 1.290 176.201 174.900 0.018 0.000 1.150 621 G CA 1.578 46.688 45.100 0.017 0.000 0.763 621 G HN 0.525 nan 8.290 nan 0.000 0.561 622 D N -0.493 119.916 120.400 0.014 0.000 2.117 622 D HA -0.088 4.521 4.640 -0.053 0.000 0.198 622 D C 2.598 178.931 176.300 0.055 0.000 0.982 622 D CA 0.987 54.998 54.000 0.018 0.000 0.828 622 D CB -0.065 40.723 40.800 -0.019 0.000 0.967 622 D HN 0.131 nan 8.370 nan 0.000 0.464 623 V N 0.242 120.195 119.914 0.064 0.000 2.287 623 V HA -0.290 3.799 4.120 -0.053 0.000 0.248 623 V C 2.527 178.645 176.094 0.041 0.000 1.053 623 V CA 2.204 64.539 62.300 0.058 0.000 1.027 623 V CB -0.954 30.893 31.823 0.040 0.000 0.646 623 V HN 0.364 nan 8.190 nan 0.000 0.447 624 T N 0.431 115.006 114.554 0.035 0.000 2.665 624 T HA -0.222 4.096 4.350 -0.053 0.000 0.268 624 T C 2.031 176.751 174.700 0.033 0.000 1.035 624 T CA 2.090 64.209 62.100 0.032 0.000 1.151 624 T CB -0.478 68.406 68.868 0.027 0.000 0.862 624 T HN 0.727 nan 8.240 nan 0.000 0.438 625 S N 1.364 117.083 115.700 0.032 0.000 2.469 625 S HA -0.055 4.383 4.470 -0.053 0.000 0.238 625 S C 1.638 176.263 174.600 0.042 0.000 0.998 625 S CA 0.609 58.829 58.200 0.033 0.000 0.957 625 S CB -0.374 62.842 63.200 0.026 0.000 0.764 625 S HN 0.458 nan 8.310 nan 0.000 0.514 626 R N 0.772 121.300 120.500 0.048 0.000 2.480 626 R HA 0.349 4.658 4.340 -0.053 0.000 0.277 626 R C 0.050 176.375 176.300 0.041 0.000 1.008 626 R CA -0.201 55.930 56.100 0.052 0.000 1.090 626 R CB -0.076 30.260 30.300 0.060 0.000 1.234 626 R HN 0.340 nan 8.270 nan 0.000 0.549 627 R N -0.786 119.738 120.500 0.040 0.000 3.641 627 R HA -0.163 4.145 4.340 -0.053 0.000 0.286 627 R C 0.338 176.660 176.300 0.037 0.000 1.153 627 R CA 0.614 56.738 56.100 0.039 0.000 0.775 627 R CB -1.965 28.361 30.300 0.043 0.000 1.215 627 R HN 0.420 nan 8.270 nan 0.000 0.474 628 G N 0.409 109.230 108.800 0.035 0.000 2.531 628 G HA2 0.699 4.627 3.960 -0.053 0.000 0.313 628 G HA3 0.699 4.627 3.960 -0.053 0.000 0.313 628 G C -0.120 174.810 174.900 0.051 0.000 1.238 628 G CA -0.646 44.476 45.100 0.037 0.000 0.994 628 G HN 0.286 nan 8.290 nan 0.000 0.493 629 R N -2.308 118.235 120.500 0.072 0.000 2.781 629 R HA 0.731 5.040 4.340 -0.053 0.000 0.269 629 R C -2.003 174.339 176.300 0.069 0.000 1.025 629 R CA -0.856 55.292 56.100 0.080 0.000 0.914 629 R CB 1.660 32.026 30.300 0.109 0.000 1.236 629 R HN 0.368 nan 8.270 nan 0.000 0.465 630 V N 0.740 120.689 119.914 0.059 0.000 2.540 630 V HA 0.327 4.415 4.120 -0.053 0.000 0.302 630 V C -1.236 174.890 176.094 0.055 0.000 1.035 630 V CA -0.521 61.792 62.300 0.021 0.000 0.873 630 V CB 1.732 33.559 31.823 0.006 0.000 0.992 630 V HN 0.862 nan 8.190 nan 0.000 0.428 631 D N 3.388 123.811 120.400 0.040 0.000 2.400 631 D HA 0.560 5.169 4.640 -0.053 0.000 0.272 631 D C 0.023 176.342 176.300 0.031 0.000 1.220 631 D CA 0.762 54.810 54.000 0.081 0.000 0.897 631 D CB 0.711 41.640 40.800 0.215 0.000 1.134 631 D HN 1.077 nan 8.370 nan 0.000 0.507 632 G N 2.271 111.081 108.800 0.016 0.000 2.788 632 G HA2 0.105 4.034 3.960 -0.053 0.000 0.686 632 G HA3 0.105 4.034 3.960 -0.053 0.000 0.686 632 G C -0.750 174.145 174.900 -0.009 0.000 1.147 632 G CA -0.357 44.746 45.100 0.005 0.000 0.755 632 G HN 0.599 nan 8.290 nan 0.000 0.634 633 M N 1.385 120.983 119.600 -0.005 0.000 2.274 633 M HA 0.593 5.042 4.480 -0.053 0.000 0.272 633 M C -1.611 174.687 176.300 -0.002 0.000 1.053 633 M CA -0.770 54.527 55.300 -0.006 0.000 0.978 633 M CB 1.725 34.324 32.600 -0.001 0.000 1.836 633 M HN 0.523 nan 8.290 nan 0.000 0.484 634 E N 4.901 125.099 120.200 -0.003 0.000 2.266 634 E HA 0.607 4.925 4.350 -0.053 0.000 0.268 634 E C -2.767 173.834 176.600 0.001 0.000 0.879 634 E CA -1.652 54.747 56.400 -0.001 0.000 0.762 634 E CB 2.215 31.913 29.700 -0.003 0.000 1.199 634 E HN 0.424 nan 8.360 nan 0.000 0.422 635 P HA 0.267 nan 4.420 nan 0.000 0.274 635 P C -0.566 176.739 177.300 0.009 0.000 1.231 635 P CA -0.274 62.829 63.100 0.005 0.000 0.790 635 P CB 0.745 32.446 31.700 0.003 0.000 0.951 636 R N 1.727 122.235 120.500 0.014 0.000 2.539 636 R HA 0.487 4.796 4.340 -0.053 0.000 0.295 636 R C 0.522 176.842 176.300 0.033 0.000 1.138 636 R CA 0.031 56.145 56.100 0.023 0.000 0.936 636 R CB 0.300 30.614 30.300 0.023 0.000 1.182 636 R HN 0.771 nan 8.270 nan 0.000 0.459 637 G N 3.897 112.719 108.800 0.036 0.000 2.591 637 G HA2 -0.445 3.484 3.960 -0.053 0.000 0.298 637 G HA3 -0.445 3.484 3.960 -0.053 0.000 0.298 637 G C 0.107 175.020 174.900 0.022 0.000 1.195 637 G CA 0.572 45.697 45.100 0.042 0.000 0.989 637 G HN 0.779 nan 8.290 nan 0.000 0.551 638 N N 1.962 120.672 118.700 0.017 0.000 2.327 638 N HA 0.590 5.299 4.740 -0.053 0.000 0.231 638 N C 0.273 175.778 175.510 -0.008 0.000 1.130 638 N CA 1.200 54.246 53.050 -0.006 0.000 0.845 638 N CB 0.179 38.653 38.487 -0.022 0.000 1.073 638 N HN 1.342 nan 8.380 nan 0.000 0.496 639 A N -0.354 122.472 122.820 0.010 0.000 2.387 639 A HA 0.716 5.004 4.320 -0.053 0.000 0.298 639 A C -0.629 176.965 177.584 0.016 0.000 1.165 639 A CA -0.640 51.408 52.037 0.019 0.000 0.814 639 A CB 1.545 20.569 19.000 0.040 0.000 1.357 639 A HN 0.140 nan 8.150 nan 0.000 0.443 640 Q N -0.236 119.578 119.800 0.024 0.000 2.348 640 Q HA 0.569 4.878 4.340 -0.053 0.000 0.271 640 Q C -1.370 174.644 176.000 0.023 0.000 1.067 640 Q CA -0.669 55.146 55.803 0.019 0.000 0.839 640 Q CB 2.162 30.911 28.738 0.019 0.000 1.354 640 Q HN 0.432 nan 8.270 nan 0.000 0.447 641 V N 1.882 121.803 119.914 0.012 0.000 2.350 641 V HA 0.308 4.397 4.120 -0.053 0.000 0.285 641 V C -0.252 175.839 176.094 -0.005 0.000 1.014 641 V CA -0.692 61.610 62.300 0.004 0.000 0.831 641 V CB 1.616 33.436 31.823 -0.006 0.000 1.000 641 V HN 0.460 nan 8.190 nan 0.000 0.433 642 V N 4.148 124.059 119.914 -0.005 0.000 2.407 642 V HA 0.350 4.438 4.120 -0.053 0.000 0.278 642 V C 0.225 176.282 176.094 -0.061 0.000 1.037 642 V CA -0.601 61.686 62.300 -0.022 0.000 0.900 642 V CB 1.661 33.480 31.823 -0.006 0.000 0.983 642 V HN 0.893 nan 8.190 nan 0.000 0.459 643 N N 3.906 122.550 118.700 -0.093 0.000 2.558 643 N HA 0.549 5.258 4.740 -0.053 0.000 0.233 643 N C -0.294 175.039 175.510 -0.296 0.000 1.038 643 N CA -0.048 52.890 53.050 -0.186 0.000 0.934 643 N CB 0.978 39.375 38.487 -0.150 0.000 1.175 643 N HN 0.885 nan 8.380 nan 0.000 0.512 644 A N 2.777 125.392 122.820 -0.342 0.000 2.311 644 A HA 0.638 4.926 4.320 -0.053 0.000 0.334 644 A C -1.397 175.817 177.584 -0.616 0.000 1.139 644 A CA -0.428 51.397 52.037 -0.354 0.000 0.830 644 A CB 0.556 19.453 19.000 -0.172 0.000 1.234 644 A HN 0.611 nan 8.150 nan 0.000 0.483 645 Y N 0.012 120.289 120.300 -0.037 0.000 2.350 645 Y HA 0.556 5.075 4.550 -0.052 0.000 0.338 645 Y C -0.277 175.574 175.900 -0.083 0.000 0.961 645 Y CA -0.719 57.346 58.100 -0.059 0.000 1.100 645 Y CB 2.244 40.704 38.460 -0.000 0.000 1.179 645 Y HN 0.380 nan 8.280 nan 0.000 0.454 646 V N 4.656 124.573 119.914 0.006 0.000 2.733 646 V HA 0.428 4.517 4.120 -0.053 0.000 0.306 646 V C -2.588 173.452 176.094 -0.090 0.000 1.084 646 V CA -2.551 59.715 62.300 -0.056 0.000 0.905 646 V CB 2.307 34.051 31.823 -0.133 0.000 1.010 646 V HN 0.507 nan 8.190 nan 0.000 0.424 647 P HA 0.072 nan 4.420 nan 0.000 0.265 647 P C 0.688 177.920 177.300 -0.114 0.000 1.193 647 P CA -0.078 62.974 63.100 -0.080 0.000 0.765 647 P CB 0.699 32.392 31.700 -0.012 0.000 0.823 648 L N 4.351 125.480 121.223 -0.157 0.000 2.127 648 L HA -0.206 4.103 4.340 -0.053 0.000 0.211 648 L C 2.038 178.757 176.870 -0.251 0.000 1.089 648 L CA 2.382 57.092 54.840 -0.218 0.000 0.757 648 L CB -1.435 40.493 42.059 -0.219 0.000 0.899 648 L HN 0.407 nan 8.230 nan 0.000 0.434 649 S N -1.659 113.978 115.700 -0.106 0.000 2.469 649 S HA -0.089 4.349 4.470 -0.053 0.000 0.238 649 S C 1.394 176.090 174.600 0.160 0.000 0.998 649 S CA 0.983 59.231 58.200 0.080 0.000 0.957 649 S CB -0.451 62.857 63.200 0.180 0.000 0.764 649 S HN 0.587 nan 8.310 nan 0.000 0.514 650 E N 0.121 120.348 120.200 0.046 0.000 2.501 650 E HA 0.274 4.592 4.350 -0.053 0.000 0.201 650 E C 0.648 177.267 176.600 0.032 0.000 1.016 650 E CA -0.038 56.411 56.400 0.082 0.000 0.920 650 E CB 0.160 29.895 29.700 0.057 0.000 1.023 650 E HN 0.497 nan 8.360 nan 0.000 0.474 651 M N -0.033 119.498 119.600 -0.116 0.000 2.428 651 M HA 0.180 4.628 4.480 -0.053 0.000 0.239 651 M C -0.021 176.213 176.300 -0.109 0.000 1.121 651 M CA -0.132 55.084 55.300 -0.140 0.000 1.019 651 M CB -0.422 32.030 32.600 -0.248 0.000 1.485 651 M HN -0.089 nan 8.290 nan 0.000 0.484 652 F N 1.421 121.406 119.950 0.058 0.000 2.608 652 F HA 0.316 4.811 4.527 -0.054 0.000 0.380 652 F C 1.772 177.607 175.800 0.058 0.000 1.083 652 F CA 1.194 59.229 58.000 0.058 0.000 1.266 652 F CB -0.210 38.817 39.000 0.044 0.000 1.076 652 F HN 0.544 nan 8.300 nan 0.000 0.574 653 G N 2.453 111.394 108.800 0.236 0.000 2.168 653 G HA2 -0.420 3.509 3.960 -0.053 0.000 0.257 653 G HA3 -0.420 3.509 3.960 -0.053 0.000 0.257 653 G C 0.860 175.788 174.900 0.047 0.000 0.997 653 G CA 0.569 45.742 45.100 0.121 0.000 0.708 653 G HN 0.790 nan 8.290 nan 0.000 0.520 654 Y N 0.748 121.017 120.300 -0.051 0.000 2.181 654 Y HA 0.050 4.568 4.550 -0.053 0.000 0.288 654 Y C 2.787 178.564 175.900 -0.205 0.000 1.146 654 Y CA 2.656 60.652 58.100 -0.174 0.000 1.164 654 Y CB -0.404 37.872 38.460 -0.307 0.000 0.982 654 Y HN 0.444 nan 8.280 nan 0.000 0.515 655 A N -1.053 121.730 122.820 -0.062 0.000 1.930 655 A HA -0.159 4.130 4.320 -0.053 0.000 0.217 655 A C 2.231 179.758 177.584 -0.094 0.000 1.175 655 A CA 2.112 54.140 52.037 -0.015 0.000 0.627 655 A CB -1.264 17.879 19.000 0.237 0.000 0.815 655 A HN 0.482 nan 8.150 nan 0.000 0.443 656 T N -0.049 114.463 114.554 -0.070 0.000 2.746 656 T HA -0.107 4.211 4.350 -0.053 0.000 0.267 656 T C 2.277 176.889 174.700 -0.147 0.000 1.039 656 T CA 1.752 63.807 62.100 -0.075 0.000 1.142 656 T CB -0.276 68.572 68.868 -0.033 0.000 0.866 656 T HN 0.479 nan 8.240 nan 0.000 0.444 657 S N 1.133 116.698 115.700 -0.225 0.000 2.368 657 S HA -0.025 4.414 4.470 -0.053 0.000 0.225 657 S C 1.922 176.312 174.600 -0.351 0.000 1.030 657 S CA 0.650 58.684 58.200 -0.278 0.000 0.999 657 S CB -0.455 62.550 63.200 -0.325 0.000 0.844 657 S HN 0.260 nan 8.310 nan 0.000 0.459 658 L N 2.075 122.994 121.223 -0.506 0.000 2.017 658 L HA -0.027 4.281 4.340 -0.053 0.000 0.208 658 L C 2.319 179.037 176.870 -0.253 0.000 1.073 658 L CA 1.767 56.352 54.840 -0.426 0.000 0.745 658 L CB -0.565 41.219 42.059 -0.457 0.000 0.894 658 L HN 0.138 nan 8.230 nan 0.000 0.432 659 R N -1.110 119.279 120.500 -0.186 0.000 2.094 659 R HA -0.210 4.099 4.340 -0.053 0.000 0.239 659 R C 2.571 178.770 176.300 -0.169 0.000 1.137 659 R CA 1.859 57.877 56.100 -0.136 0.000 0.943 659 R CB -0.556 29.696 30.300 -0.080 0.000 0.850 659 R HN 0.543 nan 8.270 nan 0.000 0.433 660 S N 0.293 115.895 115.700 -0.162 0.000 2.368 660 S HA -0.096 4.343 4.470 -0.053 0.000 0.225 660 S C 1.495 175.980 174.600 -0.193 0.000 1.030 660 S CA 1.413 59.524 58.200 -0.149 0.000 0.999 660 S CB -0.235 62.893 63.200 -0.120 0.000 0.844 660 S HN 0.420 nan 8.310 nan 0.000 0.459 661 N N 0.787 119.350 118.700 -0.228 0.000 2.512 661 N HA -0.006 4.702 4.740 -0.053 0.000 0.183 661 N C 1.207 176.423 175.510 -0.491 0.000 1.073 661 N CA 1.440 54.339 53.050 -0.253 0.000 0.911 661 N CB -0.154 38.216 38.487 -0.195 0.000 0.964 661 N HN 0.761 nan 8.380 nan 0.000 0.447 662 T N -3.126 111.068 114.554 -0.600 0.000 3.200 662 T HA 0.149 4.468 4.350 -0.053 0.000 0.284 662 T C 0.085 174.304 174.700 -0.800 0.000 1.009 662 T CA -0.385 61.043 62.100 -1.120 0.000 0.907 662 T CB 0.020 68.543 68.868 -0.575 0.000 1.120 662 T HN 0.059 nan 8.240 nan 0.000 0.534 663 Q N 0.726 120.254 119.800 -0.454 0.000 2.434 663 Q HA -0.233 4.075 4.340 -0.053 0.000 0.299 663 Q C 1.221 177.139 176.000 -0.136 0.000 1.286 663 Q CA 0.786 56.469 55.803 -0.200 0.000 0.872 663 Q CB -2.276 26.415 28.738 -0.079 0.000 1.193 663 Q HN 1.162 nan 8.270 nan 0.000 0.466 664 G N -0.687 108.025 108.800 -0.146 0.000 2.176 664 G HA2 -0.367 3.561 3.960 -0.053 0.000 0.253 664 G HA3 -0.367 3.561 3.960 -0.053 0.000 0.253 664 G C 0.658 175.520 174.900 -0.063 0.000 0.979 664 G CA 0.478 45.526 45.100 -0.087 0.000 0.641 664 G HN 0.456 nan 8.290 nan 0.000 0.530 665 R N 0.424 120.879 120.500 -0.074 0.000 2.290 665 R HA 0.338 4.646 4.340 -0.053 0.000 0.197 665 R C 1.636 177.952 176.300 0.028 0.000 0.913 665 R CA 0.451 56.549 56.100 -0.003 0.000 1.040 665 R CB 0.417 30.759 30.300 0.070 0.000 0.992 665 R HN 0.389 nan 8.270 nan 0.000 0.500 666 G N -0.023 108.777 108.800 -0.000 0.000 2.476 666 G HA2 0.324 4.252 3.960 -0.053 0.000 0.286 666 G HA3 0.324 4.252 3.960 -0.053 0.000 0.286 666 G C -0.819 174.136 174.900 0.091 0.000 1.177 666 G CA -0.065 45.064 45.100 0.049 0.000 0.870 666 G HN -0.060 nan 8.290 nan 0.000 0.528 667 T N -0.685 113.943 114.554 0.123 0.000 2.906 667 T HA 0.709 5.027 4.350 -0.053 0.000 0.295 667 T C -1.404 173.436 174.700 0.233 0.000 1.075 667 T CA -0.589 61.606 62.100 0.158 0.000 1.005 667 T CB 1.250 70.160 68.868 0.069 0.000 1.136 667 T HN 0.826 nan 8.240 nan 0.000 0.498 668 Y N -0.455 119.865 120.300 0.032 0.000 2.638 668 Y HA 0.746 5.264 4.550 -0.053 0.000 0.335 668 Y C -0.650 175.227 175.900 -0.038 0.000 1.155 668 Y CA -1.057 57.046 58.100 0.005 0.000 1.046 668 Y CB 1.110 39.624 38.460 0.089 0.000 1.303 668 Y HN 0.738 nan 8.280 nan 0.000 0.460 669 T N 0.625 115.054 114.554 -0.209 0.000 2.930 669 T HA 0.661 4.979 4.350 -0.053 0.000 0.290 669 T C -0.960 173.594 174.700 -0.245 0.000 1.052 669 T CA -0.867 61.019 62.100 -0.358 0.000 1.017 669 T CB 2.064 70.823 68.868 -0.182 0.000 1.137 669 T HN 1.038 nan 8.240 nan 0.000 0.511 670 M N 2.408 121.721 119.600 -0.479 0.000 2.183 670 M HA 0.541 4.990 4.480 -0.053 0.000 0.277 670 M C -2.369 173.622 176.300 -0.515 0.000 0.995 670 M CA -0.654 54.462 55.300 -0.307 0.000 0.969 670 M CB 1.198 33.729 32.600 -0.116 0.000 1.659 670 M HN 0.833 nan 8.290 nan 0.000 0.462 671 Y N 2.822 123.138 120.300 0.027 0.000 2.536 671 Y HA 0.482 5.001 4.550 -0.053 0.000 0.347 671 Y C -0.531 175.403 175.900 0.056 0.000 1.000 671 Y CA -0.854 57.295 58.100 0.081 0.000 1.051 671 Y CB 1.440 39.979 38.460 0.133 0.000 1.259 671 Y HN 0.616 nan 8.280 nan 0.000 0.468 672 F N 2.106 122.127 119.950 0.118 0.000 2.607 672 F HA 0.015 4.510 4.527 -0.053 0.000 0.374 672 F C 0.554 176.246 175.800 -0.181 0.000 1.104 672 F CA 0.695 58.615 58.000 -0.133 0.000 1.296 672 F CB 0.601 39.440 39.000 -0.268 0.000 1.085 672 F HN 0.739 nan 8.300 nan 0.000 0.584 673 D N 2.117 121.786 120.400 -1.218 0.000 2.929 673 D HA 0.078 4.686 4.640 -0.053 0.000 0.291 673 D C -0.613 174.973 176.300 -1.190 0.000 1.086 673 D CA 0.536 54.015 54.000 -0.868 0.000 0.971 673 D CB 0.302 41.010 40.800 -0.153 0.000 1.275 673 D HN 0.658 nan 8.370 nan 0.000 0.469 674 H N -2.553 115.646 119.070 -1.451 0.000 3.003 674 H HA 0.221 4.746 4.556 -0.052 0.000 0.327 674 H C -1.622 173.351 175.328 -0.592 0.000 1.353 674 H CA -0.846 54.705 56.048 -0.828 0.000 1.142 674 H CB -0.215 29.314 29.762 -0.390 0.000 1.864 674 H HN -0.063 nan 8.280 nan 0.000 0.529 675 Y N 0.473 120.796 120.300 0.038 0.000 2.299 675 Y HA 0.584 5.103 4.550 -0.052 0.000 0.326 675 Y C 0.566 176.515 175.900 0.081 0.000 1.164 675 Y CA 0.434 58.576 58.100 0.069 0.000 1.234 675 Y CB 1.616 40.163 38.460 0.144 0.000 1.219 675 Y HN 0.870 nan 8.280 nan 0.000 0.497 676 A N 2.285 125.222 122.820 0.195 0.000 2.469 676 A HA 0.460 4.749 4.320 -0.053 0.000 0.299 676 A C -0.929 176.743 177.584 0.146 0.000 1.098 676 A CA -0.984 51.149 52.037 0.160 0.000 0.737 676 A CB 1.178 20.244 19.000 0.110 0.000 1.312 676 A HN 0.727 nan 8.150 nan 0.000 0.414 677 E N 0.791 121.059 120.200 0.113 0.000 2.384 677 E HA 0.348 4.666 4.350 -0.053 0.000 0.266 677 E C -0.525 176.126 176.600 0.086 0.000 1.012 677 E CA -0.188 56.269 56.400 0.095 0.000 0.901 677 E CB 0.622 30.366 29.700 0.074 0.000 0.967 677 E HN 0.413 nan 8.360 nan 0.000 0.435 678 V N 6.422 126.385 119.914 0.082 0.000 2.811 678 V HA 0.107 4.196 4.120 -0.053 0.000 0.302 678 V C -1.908 174.215 176.094 0.049 0.000 1.063 678 V CA -1.296 61.047 62.300 0.072 0.000 1.088 678 V CB 0.783 32.636 31.823 0.049 0.000 0.982 678 V HN 0.783 nan 8.190 nan 0.000 0.485 679 P HA 0.107 nan 4.420 nan 0.000 0.268 679 P C 0.566 177.882 177.300 0.026 0.000 1.208 679 P CA -0.287 62.834 63.100 0.036 0.000 0.777 679 P CB 0.471 32.193 31.700 0.037 0.000 0.875 680 K N 1.106 121.519 120.400 0.022 0.000 2.026 680 K HA -0.114 4.174 4.320 -0.053 0.000 0.208 680 K C 1.979 178.586 176.600 0.011 0.000 1.048 680 K CA 2.144 58.441 56.287 0.016 0.000 0.929 680 K CB -1.268 31.242 32.500 0.016 0.000 0.713 680 K HN 0.624 nan 8.250 nan 0.000 0.439 681 S N 1.277 116.986 115.700 0.014 0.000 2.368 681 S HA -0.111 4.327 4.470 -0.053 0.000 0.225 681 S C 2.260 176.867 174.600 0.010 0.000 1.030 681 S CA 1.040 59.247 58.200 0.012 0.000 0.999 681 S CB -0.685 62.524 63.200 0.015 0.000 0.844 681 S HN 0.233 nan 8.310 nan 0.000 0.459 682 I N 2.517 123.096 120.570 0.015 0.000 2.179 682 I HA -0.125 4.013 4.170 -0.053 0.000 0.242 682 I C 3.135 179.241 176.117 -0.019 0.000 1.088 682 I CA 1.130 62.437 61.300 0.011 0.000 1.357 682 I CB -0.796 37.224 38.000 0.033 0.000 1.051 682 I HN 0.423 nan 8.210 nan 0.000 0.409 683 A N 0.581 123.389 122.820 -0.021 0.000 1.908 683 A HA -0.254 4.035 4.320 -0.053 0.000 0.218 683 A C 2.215 179.782 177.584 -0.029 0.000 1.181 683 A CA 1.917 53.929 52.037 -0.042 0.000 0.627 683 A CB -0.638 18.350 19.000 -0.020 0.000 0.818 683 A HN 0.461 nan 8.150 nan 0.000 0.445 684 E N -0.193 120.000 120.200 -0.011 0.000 2.051 684 E HA -0.195 4.123 4.350 -0.053 0.000 0.192 684 E C 1.584 178.180 176.600 -0.007 0.000 0.991 684 E CA 1.202 57.599 56.400 -0.006 0.000 0.799 684 E CB -0.199 29.501 29.700 0.000 0.000 0.748 684 E HN 0.539 nan 8.360 nan 0.000 0.449 685 D N 0.574 120.971 120.400 -0.006 0.000 2.116 685 D HA -0.176 4.433 4.640 -0.053 0.000 0.193 685 D C 1.985 178.282 176.300 -0.006 0.000 0.998 685 D CA 1.009 55.008 54.000 -0.001 0.000 0.836 685 D CB -0.218 40.585 40.800 0.006 0.000 0.951 685 D HN 0.211 nan 8.370 nan 0.000 0.449 686 I N 0.448 121.001 120.570 -0.029 0.000 2.202 686 I HA -0.216 3.923 4.170 -0.053 0.000 0.242 686 I C 2.419 178.534 176.117 -0.004 0.000 1.091 686 I CA 0.626 61.903 61.300 -0.038 0.000 1.368 686 I CB -0.130 37.776 38.000 -0.157 0.000 1.058 686 I HN -0.065 nan 8.210 nan 0.000 0.410 687 I N 0.592 121.156 120.570 -0.009 0.000 2.163 687 I HA -0.348 3.790 4.170 -0.053 0.000 0.243 687 I C 2.661 178.775 176.117 -0.005 0.000 1.085 687 I CA 1.512 62.811 61.300 -0.002 0.000 1.347 687 I CB -0.397 37.602 38.000 -0.003 0.000 1.044 687 I HN 0.175 nan 8.210 nan 0.000 0.408 688 K N 1.060 121.458 120.400 -0.003 0.000 1.991 688 K HA -0.270 4.019 4.320 -0.053 0.000 0.212 688 K C 2.257 178.856 176.600 -0.001 0.000 1.049 688 K CA 1.804 58.089 56.287 -0.003 0.000 0.932 688 K CB -0.106 32.394 32.500 -0.001 0.000 0.717 688 K HN 0.125 nan 8.250 nan 0.000 0.441 689 K N 0.647 121.051 120.400 0.006 0.000 2.009 689 K HA -0.137 4.152 4.320 -0.053 0.000 0.210 689 K C 1.699 178.303 176.600 0.007 0.000 1.049 689 K CA 1.917 58.211 56.287 0.012 0.000 0.929 689 K CB -0.107 32.408 32.500 0.025 0.000 0.714 689 K HN 0.286 nan 8.250 nan 0.000 0.440 690 N N 0.212 118.915 118.700 0.005 0.000 2.519 690 N HA -0.132 4.576 4.740 -0.053 0.000 0.186 690 N C 1.035 176.524 175.510 -0.035 0.000 1.062 690 N CA 0.496 53.535 53.050 -0.018 0.000 0.910 690 N CB 0.110 38.573 38.487 -0.040 0.000 0.958 690 N HN 0.132 nan 8.380 nan 0.000 0.445 691 K N 0.401 120.787 120.400 -0.023 0.000 2.410 691 K HA 0.093 4.382 4.320 -0.053 0.000 0.200 691 K C -0.130 176.458 176.600 -0.019 0.000 1.023 691 K CA -0.102 56.170 56.287 -0.025 0.000 1.149 691 K CB 0.433 32.920 32.500 -0.020 0.000 0.859 691 K HN 0.146 nan 8.250 nan 0.000 0.514 692 G N -0.136 108.654 108.800 -0.015 0.000 3.043 692 G HA2 0.098 4.026 3.960 -0.053 0.000 0.239 692 G HA3 0.098 4.026 3.960 -0.053 0.000 0.239 692 G C -0.512 174.384 174.900 -0.006 0.000 1.042 692 G CA -0.095 44.999 45.100 -0.011 0.000 1.189 692 G HN 0.455 nan 8.290 nan 0.000 0.578 693 E N 0.000 120.199 120.200 -0.002 0.000 2.725 693 E HA 0.000 4.318 4.350 -0.053 0.000 0.291 693 E CA 0.000 nan 56.400 nan 0.000 0.976 693 E CB 0.000 nan 29.700 nan 0.000 0.812 693 E HN 0.000 nan 8.360 nan 0.000 0.440