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 2xwj_1_G DATA FIRST_RESID 1 DATA SEQUENCE SPMYSIITPN ILRLESEETM VLEAHDAQGD VPVTVTVHDF PGKKLVLSSE DATA SEQUENCE KTVLTPATNH MGNVTFTIPA NREFKXXKGR NKFVTVQATF GTQVVEKVVL DATA SEQUENCE VSLQSGYLFI QTDKTIYTPG STVLYRIFTV NHKLLPVGRT VMVNIENPEG DATA SEQUENCE IPVKQDSLSS QNQLGVLPLS WDIPELVNMG QWKIRAYYEN SPQQVFSTEF DATA SEQUENCE EVKEYVLPSF EVIVEPTEKF YYIYNEKGLE VTITARFLYG KKVEGTAFVI DATA SEQUENCE FGIQDGEQRI SLPESLKRIP IEDGSGEVVL SRKVLLDGVQ NPRAEDLVGK DATA SEQUENCE SLYVSATVIL HSGSDMVQAE RSGIPIVTSP YQIHFTKTPK YFKPGMPFDL DATA SEQUENCE MVFVTNPDGS PAYRVPVAVQ GEDTVQSLTQ GDGVAKLSIN THPSQKPLSI DATA SEQUENCE TVRTKKQELS EAEQATRTMQ ALPYSTVGNS NNYLHLSVLR TELRPGETLN DATA SEQUENCE VNFLLRMDRA HEAKIRYYTY LIMNKGRLLK AGRQVREPGQ DLVVLPLSIT DATA SEQUENCE TDFIPSFRLV AYYTLIGASG QREVVADSVW VDVKDSCVGS LVVKSGQSED DATA SEQUENCE RQPVPGQQMT LKIEGDHGAR VVLVAVDKGV FVLNKKNKLT QSKIWDVVEK DATA SEQUENCE ADIGcTPGSG KDYAGVFSDA GLTFTSSSGQ QTAQRAELQc PQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.551 174.600 -0.082 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 1 S CB 0.000 63.184 63.200 -0.026 0.000 0.593 2 P HA 0.378 nan 4.420 nan 0.000 0.271 2 P C -0.806 176.284 177.300 -0.349 0.000 1.238 2 P CA -0.286 62.642 63.100 -0.285 0.000 0.794 2 P CB 0.280 31.779 31.700 -0.334 0.000 0.959 3 M N 1.657 120.928 119.600 -0.547 0.000 2.164 3 M HA 0.276 4.756 4.480 0.000 0.000 0.260 3 M C -1.987 173.990 176.300 -0.540 0.000 0.974 3 M CA -0.555 54.519 55.300 -0.377 0.000 1.020 3 M CB 0.885 33.421 32.600 -0.107 0.000 1.903 3 M HN 0.222 nan 8.290 nan 0.000 0.469 4 Y N 2.692 122.785 120.300 -0.345 0.000 2.434 4 Y HA 0.468 5.018 4.550 0.000 0.000 0.341 4 Y C 0.642 176.203 175.900 -0.565 0.000 0.965 4 Y CA -0.450 57.198 58.100 -0.753 0.000 1.205 4 Y CB 0.991 38.486 38.460 -1.607 0.000 1.121 4 Y HN 0.632 nan 8.280 nan 0.000 0.507 5 S N 2.938 118.505 115.700 -0.221 0.000 2.687 5 S HA 0.812 5.283 4.470 0.000 0.000 0.283 5 S C -0.952 173.573 174.600 -0.125 0.000 1.170 5 S CA -0.642 57.393 58.200 -0.275 0.000 1.008 5 S CB 2.116 65.168 63.200 -0.248 0.000 1.026 5 S HN 0.521 nan 8.310 nan 0.000 0.541 6 I N 0.207 120.604 120.570 -0.288 0.000 2.692 6 I HA 0.584 4.755 4.170 0.000 0.000 0.293 6 I C -1.889 174.145 176.117 -0.139 0.000 1.200 6 I CA -1.139 60.123 61.300 -0.064 0.000 1.036 6 I CB 1.669 39.697 38.000 0.046 0.000 1.258 6 I HN 0.856 nan 8.210 nan 0.000 0.421 7 I N 6.786 127.374 120.570 0.031 0.000 2.447 7 I HA 0.551 4.721 4.170 0.000 0.000 0.287 7 I C -0.750 175.438 176.117 0.118 0.000 1.023 7 I CA -0.384 60.966 61.300 0.083 0.000 1.083 7 I CB 2.096 40.223 38.000 0.212 0.000 1.245 7 I HN 0.695 nan 8.210 nan 0.000 0.434 8 T N 3.025 117.642 114.554 0.105 0.000 2.909 8 T HA 0.557 4.907 4.350 0.000 0.000 0.299 8 T C -2.965 171.801 174.700 0.111 0.000 1.073 8 T CA -2.439 59.733 62.100 0.120 0.000 0.999 8 T CB 2.102 71.057 68.868 0.145 0.000 1.098 8 T HN 0.064 nan 8.240 nan 0.000 0.477 9 P HA 0.139 nan 4.420 nan 0.000 0.266 9 P C 0.600 177.944 177.300 0.074 0.000 1.193 9 P CA -0.107 63.042 63.100 0.082 0.000 0.770 9 P CB 0.413 32.138 31.700 0.042 0.000 0.836 10 N N 1.361 120.106 118.700 0.076 0.000 2.205 10 N HA -0.099 4.641 4.740 0.000 0.000 0.186 10 N C 0.495 176.030 175.510 0.042 0.000 1.015 10 N CA 1.378 54.468 53.050 0.066 0.000 0.862 10 N CB -0.291 38.237 38.487 0.068 0.000 0.986 10 N HN 0.442 nan 8.380 nan 0.000 0.429 11 I N 1.078 121.657 120.570 0.015 0.000 2.468 11 I HA 0.228 4.398 4.170 0.000 0.000 0.285 11 I C -0.635 175.453 176.117 -0.048 0.000 1.039 11 I CA -0.568 60.715 61.300 -0.028 0.000 1.074 11 I CB 1.997 39.965 38.000 -0.053 0.000 1.228 11 I HN -0.210 nan 8.210 nan 0.000 0.436 12 L N 6.153 127.352 121.223 -0.040 0.000 2.371 12 L HA 0.482 4.822 4.340 0.000 0.000 0.272 12 L C 0.227 177.027 176.870 -0.116 0.000 1.124 12 L CA -0.490 54.322 54.840 -0.046 0.000 0.816 12 L CB 0.635 42.722 42.059 0.046 0.000 1.129 12 L HN 0.540 nan 8.230 nan 0.000 0.448 13 R N 2.408 122.817 120.500 -0.152 0.000 2.604 13 R HA 0.625 4.965 4.340 0.000 0.000 0.287 13 R C -0.814 175.397 176.300 -0.149 0.000 0.970 13 R CA -0.860 55.122 56.100 -0.196 0.000 0.946 13 R CB 1.563 31.676 30.300 -0.312 0.000 1.127 13 R HN 0.453 nan 8.270 nan 0.000 0.473 14 L N 1.739 122.873 121.223 -0.148 0.000 2.439 14 L HA 0.171 4.511 4.340 0.000 0.000 0.261 14 L C 0.503 177.320 176.870 -0.089 0.000 1.153 14 L CA -0.076 54.678 54.840 -0.143 0.000 0.808 14 L CB 0.462 42.408 42.059 -0.188 0.000 1.126 14 L HN 0.755 nan 8.230 nan 0.000 0.460 15 E N -0.034 120.123 120.200 -0.071 0.000 2.440 15 E HA -0.218 4.132 4.350 0.000 0.000 0.246 15 E C -0.550 176.029 176.600 -0.035 0.000 1.165 15 E CA 0.598 56.972 56.400 -0.043 0.000 0.726 15 E CB -1.139 28.535 29.700 -0.043 0.000 1.271 15 E HN 0.706 nan 8.360 nan 0.000 0.397 16 S N -1.225 114.444 115.700 -0.052 0.000 2.656 16 S HA 0.523 4.994 4.470 0.000 0.000 0.273 16 S C -0.862 173.673 174.600 -0.107 0.000 1.168 16 S CA -1.217 56.948 58.200 -0.059 0.000 0.817 16 S CB 1.937 65.105 63.200 -0.053 0.000 1.146 16 S HN 0.135 nan 8.310 nan 0.000 0.475 17 E N 0.993 121.120 120.200 -0.122 0.000 2.073 17 E HA 0.335 4.686 4.350 0.000 0.000 0.269 17 E C -0.973 175.466 176.600 -0.268 0.000 0.917 17 E CA -0.609 55.673 56.400 -0.196 0.000 0.757 17 E CB 1.026 30.651 29.700 -0.125 0.000 1.111 17 E HN 0.408 nan 8.360 nan 0.000 0.410 18 E N 2.319 122.224 120.200 -0.492 0.000 2.174 18 E HA 0.173 4.524 4.350 0.000 0.000 0.282 18 E C -0.290 176.021 176.600 -0.480 0.000 0.992 18 E CA -0.331 55.785 56.400 -0.473 0.000 0.803 18 E CB 1.529 30.917 29.700 -0.522 0.000 1.090 18 E HN 0.303 nan 8.360 nan 0.000 0.396 19 T N 2.794 117.221 114.554 -0.211 0.000 2.918 19 T HA 0.272 4.622 4.350 0.000 0.000 0.302 19 T C 0.482 175.173 174.700 -0.016 0.000 1.045 19 T CA 0.020 62.061 62.100 -0.099 0.000 1.114 19 T CB 0.411 69.262 68.868 -0.028 0.000 0.965 19 T HN 0.325 nan 8.240 nan 0.000 0.540 20 M N 3.385 123.022 119.600 0.063 0.000 2.067 20 M HA 0.381 4.861 4.480 0.000 0.000 0.286 20 M C -1.505 174.873 176.300 0.129 0.000 0.922 20 M CA -0.655 54.735 55.300 0.150 0.000 0.937 20 M CB 0.924 33.692 32.600 0.279 0.000 1.550 20 M HN 0.307 nan 8.290 nan 0.000 0.433 21 V N 6.385 126.381 119.914 0.137 0.000 2.408 21 V HA 0.299 4.419 4.120 0.000 0.000 0.267 21 V C -0.029 176.170 176.094 0.176 0.000 1.047 21 V CA -0.202 62.189 62.300 0.152 0.000 0.937 21 V CB 0.724 32.657 31.823 0.184 0.000 0.999 21 V HN 0.761 nan 8.190 nan 0.000 0.472 22 L N 5.708 127.039 121.223 0.180 0.000 2.322 22 L HA 0.685 5.025 4.340 0.000 0.000 0.279 22 L C 0.102 177.116 176.870 0.241 0.000 1.036 22 L CA -0.250 54.739 54.840 0.250 0.000 0.807 22 L CB 1.558 43.762 42.059 0.242 0.000 1.226 22 L HN 0.633 nan 8.230 nan 0.000 0.433 23 E N 1.161 121.508 120.200 0.246 0.000 2.449 23 E HA 0.819 5.169 4.350 0.000 0.000 0.278 23 E C -1.546 175.014 176.600 -0.066 0.000 0.992 23 E CA -0.983 55.484 56.400 0.112 0.000 0.807 23 E CB 2.622 32.463 29.700 0.234 0.000 1.350 23 E HN 0.603 nan 8.360 nan 0.000 0.462 24 A N 1.631 124.228 122.820 -0.373 0.000 2.488 24 A HA 0.589 4.909 4.320 0.000 0.000 0.295 24 A C -1.702 175.385 177.584 -0.828 0.000 1.045 24 A CA -0.658 51.073 52.037 -0.510 0.000 0.703 24 A CB 1.107 19.954 19.000 -0.256 0.000 1.271 24 A HN 0.616 nan 8.150 nan 0.000 0.400 25 H N 2.590 121.492 119.070 -0.280 0.000 3.177 25 H HA 0.286 4.842 4.556 0.000 0.000 0.314 25 H C -0.964 174.223 175.328 -0.235 0.000 1.059 25 H CA -0.489 55.452 56.048 -0.178 0.000 1.515 25 H CB 1.687 31.422 29.762 -0.044 0.000 1.672 25 H HN 0.724 nan 8.280 nan 0.000 0.514 26 D N 1.610 121.920 120.400 -0.149 0.000 2.995 26 D HA 0.287 4.927 4.640 0.000 0.000 0.289 26 D C 1.121 177.209 176.300 -0.353 0.000 1.116 26 D CA 1.098 54.978 54.000 -0.200 0.000 0.994 26 D CB 0.362 41.115 40.800 -0.078 0.000 1.209 26 D HN 0.765 nan 8.370 nan 0.000 0.458 27 A N 0.020 122.706 122.820 -0.224 0.000 5.100 27 A HA -0.180 4.140 4.320 0.000 0.000 0.533 27 A C -0.371 177.144 177.584 -0.113 0.000 1.142 27 A CA 0.539 52.481 52.037 -0.158 0.000 0.463 27 A CB -0.924 17.981 19.000 -0.158 0.000 3.021 27 A HN 0.191 nan 8.150 nan 0.000 0.487 28 Q N -0.790 119.016 119.800 0.010 0.000 2.544 28 Q HA 0.629 4.969 4.340 0.000 0.000 0.291 28 Q C 0.378 176.459 176.000 0.135 0.000 1.068 28 Q CA -0.288 55.570 55.803 0.092 0.000 0.785 28 Q CB 2.053 30.828 28.738 0.061 0.000 1.481 28 Q HN 2.891 nan 8.270 nan 0.000 0.430 29 G N 1.142 110.027 108.800 0.141 0.000 2.698 29 G HA2 -0.194 3.766 3.960 0.000 0.000 0.233 29 G HA3 -0.194 3.766 3.960 0.000 0.000 0.233 29 G C -1.282 173.693 174.900 0.125 0.000 1.352 29 G CA -0.509 44.653 45.100 0.104 0.000 0.879 29 G HN 0.588 nan 8.290 nan 0.000 0.567 30 D N -0.328 120.121 120.400 0.083 0.000 2.264 30 D HA 0.469 5.109 4.640 0.000 0.000 0.250 30 D C 0.063 176.425 176.300 0.103 0.000 1.113 30 D CA 0.191 54.236 54.000 0.076 0.000 0.871 30 D CB 1.858 42.681 40.800 0.039 0.000 1.167 30 D HN 0.875 nan 8.370 nan 0.000 0.447 31 V N 3.887 123.881 119.914 0.132 0.000 2.357 31 V HA 0.356 4.476 4.120 0.000 0.000 0.281 31 V C -2.675 173.480 176.094 0.102 0.000 1.015 31 V CA -2.149 60.239 62.300 0.145 0.000 0.827 31 V CB 1.636 33.613 31.823 0.257 0.000 1.018 31 V HN 0.318 nan 8.190 nan 0.000 0.432 32 P HA 0.232 nan 4.420 nan 0.000 0.268 32 P C -1.041 176.226 177.300 -0.055 0.000 1.205 32 P CA 0.210 63.308 63.100 -0.004 0.000 0.771 32 P CB 0.889 32.580 31.700 -0.016 0.000 0.858 33 V N 2.506 122.357 119.914 -0.104 0.000 2.525 33 V HA 0.407 4.527 4.120 0.000 0.000 0.299 33 V C -0.051 175.914 176.094 -0.215 0.000 1.034 33 V CA -0.546 61.604 62.300 -0.250 0.000 0.863 33 V CB 1.964 33.595 31.823 -0.320 0.000 0.999 33 V HN 0.640 nan 8.190 nan 0.000 0.423 34 T N 1.516 115.925 114.554 -0.241 0.000 2.893 34 T HA 0.608 4.959 4.350 0.000 0.000 0.324 34 T C -0.510 174.068 174.700 -0.202 0.000 1.082 34 T CA -0.583 61.412 62.100 -0.175 0.000 0.983 34 T CB 0.947 69.740 68.868 -0.124 0.000 1.005 34 T HN 0.250 nan 8.240 nan 0.000 0.475 35 V N 4.455 124.255 119.914 -0.190 0.000 2.455 35 V HA 0.433 4.554 4.120 0.000 0.000 0.273 35 V C 0.440 176.410 176.094 -0.207 0.000 1.045 35 V CA -0.135 62.044 62.300 -0.202 0.000 0.976 35 V CB 0.979 32.699 31.823 -0.172 0.000 0.993 35 V HN 1.045 nan 8.190 nan 0.000 0.475 36 T N 4.638 119.053 114.554 -0.232 0.000 2.841 36 T HA 0.502 4.852 4.350 0.000 0.000 0.285 36 T C -0.525 173.917 174.700 -0.430 0.000 0.991 36 T CA -0.406 61.508 62.100 -0.311 0.000 0.966 36 T CB 1.680 70.396 68.868 -0.253 0.000 0.962 36 T HN 0.291 nan 8.240 nan 0.000 0.438 37 V N 4.573 124.186 119.914 -0.502 0.000 2.370 37 V HA 0.434 4.554 4.120 0.000 0.000 0.283 37 V C -0.413 175.434 176.094 -0.412 0.000 1.023 37 V CA -0.743 61.299 62.300 -0.431 0.000 0.857 37 V CB 0.733 32.271 31.823 -0.474 0.000 0.985 37 V HN 0.885 nan 8.190 nan 0.000 0.443 38 H N 1.681 120.740 119.070 -0.019 0.000 2.630 38 H HA 0.567 5.123 4.556 0.000 0.000 0.343 38 H C -0.133 175.264 175.328 0.115 0.000 1.232 38 H CA -0.861 55.212 56.048 0.042 0.000 1.294 38 H CB 0.894 30.680 29.762 0.040 0.000 1.746 38 H HN 0.741 nan 8.280 nan 0.000 0.593 39 D N -0.305 120.264 120.400 0.283 0.000 2.453 39 D HA 0.247 4.887 4.640 0.000 0.000 0.282 39 D C -0.715 175.792 176.300 0.345 0.000 1.222 39 D CA -0.448 53.723 54.000 0.285 0.000 1.079 39 D CB 0.711 41.596 40.800 0.141 0.000 1.128 39 D HN 0.393 nan 8.370 nan 0.000 0.568 40 F N -1.241 118.778 119.950 0.114 0.000 2.669 40 F HA 0.383 4.910 4.527 0.000 0.000 0.315 40 F C -2.812 173.035 175.800 0.079 0.000 1.109 40 F CA -1.291 56.768 58.000 0.098 0.000 1.028 40 F CB 1.202 40.295 39.000 0.155 0.000 1.287 40 F HN 0.157 nan 8.300 nan 0.000 0.452 41 P HA 0.649 nan 4.420 nan 0.000 0.277 41 P C -0.407 176.695 177.300 -0.331 0.000 1.276 41 P CA 0.452 62.945 63.100 -1.013 0.000 0.788 41 P CB 0.647 31.819 31.700 -0.879 0.000 1.114 42 G N -0.078 108.588 108.800 -0.223 0.000 2.767 42 G HA2 -0.187 3.773 3.960 0.000 0.000 0.686 42 G HA3 -0.187 3.773 3.960 0.000 0.000 0.686 42 G C -0.385 174.490 174.900 -0.042 0.000 1.213 42 G CA -0.523 44.512 45.100 -0.109 0.000 0.803 42 G HN 0.704 nan 8.290 nan 0.000 0.603 43 K N 0.965 121.324 120.400 -0.069 0.000 3.001 43 K HA 0.183 4.503 4.320 0.000 0.000 0.257 43 K C 0.868 177.440 176.600 -0.047 0.000 1.290 43 K CA -0.302 55.911 56.287 -0.123 0.000 1.252 43 K CB -0.242 32.110 32.500 -0.246 0.000 1.656 43 K HN 0.461 nan 8.250 nan 0.000 0.351 44 K N 3.848 124.261 120.400 0.023 0.000 2.110 44 K HA 0.072 4.392 4.320 0.000 0.000 0.260 44 K C 0.019 176.693 176.600 0.124 0.000 1.126 44 K CA -0.376 55.938 56.287 0.044 0.000 1.005 44 K CB -0.090 32.415 32.500 0.008 0.000 1.336 44 K HN 0.433 nan 8.250 nan 0.000 0.369 45 L N 1.576 122.899 121.223 0.167 0.000 2.418 45 L HA 0.592 4.932 4.340 0.000 0.000 0.265 45 L C -0.452 176.471 176.870 0.088 0.000 1.143 45 L CA -0.821 54.146 54.840 0.212 0.000 0.809 45 L CB 1.294 43.513 42.059 0.266 0.000 1.124 45 L HN 0.215 nan 8.230 nan 0.000 0.456 46 V N 3.874 123.819 119.914 0.052 0.000 2.888 46 V HA 0.333 4.453 4.120 0.000 0.000 0.309 46 V C 0.416 176.508 176.094 -0.002 0.000 1.114 46 V CA -0.581 61.723 62.300 0.006 0.000 0.940 46 V CB 2.198 33.994 31.823 -0.046 0.000 1.021 46 V HN 0.968 nan 8.190 nan 0.000 0.426 47 L N 3.172 124.377 121.223 -0.029 0.000 2.013 47 L HA 0.325 4.665 4.340 0.000 0.000 0.204 47 L C 0.527 177.388 176.870 -0.015 0.000 1.081 47 L CA 0.856 55.704 54.840 0.014 0.000 0.751 47 L CB -0.113 41.969 42.059 0.037 0.000 0.901 47 L HN 0.662 nan 8.230 nan 0.000 0.440 48 S N -1.066 114.585 115.700 -0.082 0.000 2.572 48 S HA 0.400 4.870 4.470 0.000 0.000 0.274 48 S C -0.889 173.629 174.600 -0.137 0.000 1.150 48 S CA -0.500 57.665 58.200 -0.059 0.000 0.944 48 S CB 2.322 65.546 63.200 0.039 0.000 1.071 48 S HN 0.148 nan 8.310 nan 0.000 0.479 49 S N 2.250 117.898 115.700 -0.086 0.000 2.532 49 S HA 0.664 5.134 4.470 0.000 0.000 0.299 49 S C -1.310 173.258 174.600 -0.054 0.000 1.105 49 S CA -0.557 57.580 58.200 -0.104 0.000 1.018 49 S CB 0.614 63.758 63.200 -0.094 0.000 1.021 49 S HN 0.603 nan 8.310 nan 0.000 0.483 50 E N 2.684 122.848 120.200 -0.061 0.000 2.359 50 E HA 0.569 4.919 4.350 0.000 0.000 0.266 50 E C -1.083 175.488 176.600 -0.049 0.000 0.920 50 E CA -0.815 55.570 56.400 -0.026 0.000 0.788 50 E CB 1.970 31.682 29.700 0.021 0.000 1.279 50 E HN 0.598 nan 8.360 nan 0.000 0.438 51 K N 0.159 120.538 120.400 -0.034 0.000 2.469 51 K HA 0.698 5.018 4.320 0.000 0.000 0.254 51 K C -0.743 175.838 176.600 -0.031 0.000 0.939 51 K CA -0.673 55.586 56.287 -0.046 0.000 0.812 51 K CB 2.543 35.019 32.500 -0.040 0.000 1.301 51 K HN 0.451 nan 8.250 nan 0.000 0.433 52 T N 0.022 114.553 114.554 -0.038 0.000 2.775 52 T HA 0.411 4.761 4.350 0.000 0.000 0.320 52 T C -1.949 172.742 174.700 -0.015 0.000 1.597 52 T CA -0.572 61.516 62.100 -0.019 0.000 1.022 52 T CB 1.416 70.279 68.868 -0.007 0.000 1.485 52 T HN 0.189 nan 8.240 nan 0.000 0.494 53 V N 3.589 123.503 119.914 0.001 0.000 2.540 53 V HA 0.534 4.654 4.120 0.000 0.000 0.302 53 V C -0.254 175.855 176.094 0.026 0.000 1.035 53 V CA -0.881 61.428 62.300 0.015 0.000 0.873 53 V CB 1.751 33.578 31.823 0.007 0.000 0.992 53 V HN 0.770 nan 8.190 nan 0.000 0.428 54 L N 4.216 125.477 121.223 0.063 0.000 2.282 54 L HA 0.377 4.717 4.340 0.000 0.000 0.287 54 L C 0.312 177.160 176.870 -0.038 0.000 1.075 54 L CA 0.102 54.978 54.840 0.060 0.000 0.839 54 L CB 0.618 42.797 42.059 0.200 0.000 1.219 54 L HN 0.632 nan 8.230 nan 0.000 0.434 55 T N 4.091 118.571 114.554 -0.123 0.000 2.799 55 T HA 0.198 4.548 4.350 0.000 0.000 0.286 55 T C -1.611 172.849 174.700 -0.401 0.000 0.973 55 T CA -1.206 60.781 62.100 -0.188 0.000 1.035 55 T CB 1.756 70.561 68.868 -0.105 0.000 0.932 55 T HN 0.294 nan 8.240 nan 0.000 0.469 56 P HA -0.086 nan 4.420 nan 0.000 0.220 56 P C 1.251 178.396 177.300 -0.259 0.000 1.144 56 P CA 0.521 63.289 63.100 -0.553 0.000 0.800 56 P CB 0.066 31.660 31.700 -0.177 0.000 0.772 57 A N -0.504 122.211 122.820 -0.175 0.000 2.019 57 A HA -0.121 4.199 4.320 0.000 0.000 0.219 57 A C 1.868 179.390 177.584 -0.105 0.000 1.164 57 A CA 2.031 54.005 52.037 -0.104 0.000 0.644 57 A CB -1.538 17.419 19.000 -0.072 0.000 0.805 57 A HN 0.343 nan 8.150 nan 0.000 0.449 58 T N -4.212 110.259 114.554 -0.139 0.000 3.223 58 T HA 0.220 4.571 4.350 0.000 0.000 0.259 58 T C 0.379 175.001 174.700 -0.130 0.000 1.015 58 T CA 0.339 62.374 62.100 -0.108 0.000 0.908 58 T CB -0.905 67.914 68.868 -0.081 0.000 1.054 58 T HN 0.611 nan 8.240 nan 0.000 0.567 59 N N 2.201 120.802 118.700 -0.164 0.000 2.714 59 N HA -0.263 4.477 4.740 0.000 0.000 0.250 59 N C -0.834 174.645 175.510 -0.051 0.000 1.117 59 N CA 0.562 53.524 53.050 -0.145 0.000 0.719 59 N CB -1.328 37.016 38.487 -0.238 0.000 1.081 59 N HN 0.730 nan 8.380 nan 0.000 0.557 60 H N -2.248 116.766 119.070 -0.094 0.000 2.847 60 H HA -0.167 4.389 4.556 0.000 0.000 0.336 60 H C -0.497 174.800 175.328 -0.051 0.000 1.221 60 H CA 1.460 57.468 56.048 -0.067 0.000 1.162 60 H CB -1.402 28.296 29.762 -0.107 0.000 1.566 60 H HN 0.422 nan 8.280 nan 0.000 0.430 61 M N 0.617 120.238 119.600 0.035 0.000 2.326 61 M HA 0.434 4.914 4.480 0.000 0.000 0.306 61 M C 0.825 177.160 176.300 0.059 0.000 1.054 61 M CA -0.343 54.990 55.300 0.055 0.000 0.922 61 M CB 2.550 35.164 32.600 0.023 0.000 1.632 61 M HN 0.355 nan 8.290 nan 0.000 0.436 62 G N 1.165 110.021 108.800 0.093 0.000 2.434 62 G HA2 0.498 4.458 3.960 0.000 0.000 0.330 62 G HA3 0.498 4.458 3.960 0.000 0.000 0.330 62 G C -0.783 174.157 174.900 0.067 0.000 1.155 62 G CA -0.272 44.874 45.100 0.078 0.000 0.917 62 G HN 0.665 nan 8.290 nan 0.000 0.493 63 N N 0.120 118.849 118.700 0.049 0.000 2.725 63 N HA 0.242 4.983 4.740 0.000 0.000 0.248 63 N C -0.718 174.816 175.510 0.039 0.000 1.402 63 N CA -0.439 52.636 53.050 0.042 0.000 0.766 63 N CB 1.181 39.685 38.487 0.027 0.000 1.223 63 N HN 0.507 nan 8.380 nan 0.000 0.515 64 V N -0.092 119.856 119.914 0.056 0.000 2.547 64 V HA 0.873 4.993 4.120 0.000 0.000 0.299 64 V C 0.141 176.280 176.094 0.075 0.000 1.040 64 V CA -0.631 61.709 62.300 0.067 0.000 0.913 64 V CB 1.262 33.134 31.823 0.081 0.000 0.992 64 V HN 0.458 nan 8.190 nan 0.000 0.449 65 T N 2.413 116.995 114.554 0.046 0.000 2.847 65 T HA 0.745 5.095 4.350 0.000 0.000 0.291 65 T C -0.719 173.979 174.700 -0.005 0.000 0.998 65 T CA -0.427 61.643 62.100 -0.050 0.000 0.967 65 T CB 0.834 69.653 68.868 -0.082 0.000 0.954 65 T HN 1.025 nan 8.240 nan 0.000 0.441 66 F N 0.236 120.174 119.950 -0.019 0.000 2.483 66 F HA 0.842 5.369 4.527 0.000 0.000 0.329 66 F C -0.238 175.546 175.800 -0.026 0.000 1.064 66 F CA -1.129 56.856 58.000 -0.026 0.000 0.986 66 F CB 1.142 40.122 39.000 -0.034 0.000 1.218 66 F HN 0.397 nan 8.300 nan 0.000 0.484 67 T N 3.820 118.461 114.554 0.145 0.000 2.809 67 T HA 0.475 4.825 4.350 0.000 0.000 0.296 67 T C -0.160 174.609 174.700 0.114 0.000 1.015 67 T CA -0.349 61.783 62.100 0.053 0.000 0.954 67 T CB 0.398 69.277 68.868 0.019 0.000 0.950 67 T HN 0.484 nan 8.240 nan 0.000 0.450 68 I N 5.647 126.280 120.570 0.104 0.000 2.352 68 I HA 0.245 4.416 4.170 0.000 0.000 0.290 68 I C -2.041 174.068 176.117 -0.015 0.000 1.036 68 I CA -2.401 58.943 61.300 0.073 0.000 1.336 68 I CB 0.942 38.976 38.000 0.058 0.000 1.407 68 I HN 0.257 nan 8.210 nan 0.000 0.497 69 P HA 0.011 nan 4.420 nan 0.000 0.269 69 P C 0.290 177.543 177.300 -0.077 0.000 1.217 69 P CA 0.202 63.308 63.100 0.009 0.000 0.783 69 P CB 0.636 32.384 31.700 0.080 0.000 0.898 70 A N -0.057 122.737 122.820 -0.044 0.000 2.945 70 A HA -0.195 4.125 4.320 0.000 0.000 0.251 70 A C 0.558 178.190 177.584 0.080 0.000 1.355 70 A CA 0.571 52.621 52.037 0.022 0.000 0.905 70 A CB -2.738 16.266 19.000 0.007 0.000 1.104 70 A HN 0.593 nan 8.150 nan 0.000 0.733 71 N N -0.911 117.883 118.700 0.157 0.000 2.418 71 N HA 0.479 5.220 4.740 0.000 0.000 0.283 71 N C 1.042 176.666 175.510 0.190 0.000 1.267 71 N CA 0.035 53.203 53.050 0.197 0.000 0.975 71 N CB 0.293 38.969 38.487 0.315 0.000 1.167 71 N HN 0.496 nan 8.380 nan 0.000 0.581 72 R N 0.136 120.722 120.500 0.144 0.000 2.437 72 R HA 0.126 4.466 4.340 0.000 0.000 0.257 72 R C 0.080 176.437 176.300 0.094 0.000 0.927 72 R CA 0.039 56.210 56.100 0.117 0.000 1.078 72 R CB 0.358 30.701 30.300 0.073 0.000 1.161 72 R HN 0.406 nan 8.270 nan 0.000 0.529 73 E N 0.006 120.250 120.200 0.073 0.000 2.427 73 E HA -0.072 4.278 4.350 0.000 0.000 0.196 73 E C -0.455 176.025 176.600 -0.201 0.000 1.028 73 E CA 0.567 56.911 56.400 -0.093 0.000 0.864 73 E CB 0.114 29.694 29.700 -0.199 0.000 0.813 73 E HN 0.222 nan 8.360 nan 0.000 0.514 74 F N 1.811 121.779 119.950 0.030 0.000 2.467 74 F HA 0.246 4.773 4.527 0.000 0.000 0.349 74 F C 0.749 176.565 175.800 0.027 0.000 1.182 74 F CA -0.112 57.906 58.000 0.030 0.000 1.279 74 F CB 0.291 39.308 39.000 0.028 0.000 1.626 74 F HN -0.364 nan 8.300 nan 0.000 0.596 79 G N 1.190 109.995 108.800 0.009 0.000 2.894 79 G HA2 -0.201 3.760 3.960 0.000 0.000 0.247 79 G HA3 -0.201 3.760 3.960 0.000 0.000 0.247 79 G C -0.560 174.359 174.900 0.031 0.000 1.442 79 G CA 0.297 45.404 45.100 0.013 0.000 0.897 79 G HN 0.719 nan 8.290 nan 0.000 0.550 80 R N -1.606 118.918 120.500 0.040 0.000 3.773 80 R HA -0.171 4.170 4.340 0.000 0.000 0.514 80 R C 0.238 176.582 176.300 0.073 0.000 0.241 80 R CA 1.249 57.392 56.100 0.071 0.000 1.604 80 R CB -1.517 28.835 30.300 0.087 0.000 1.012 80 R HN 1.116 nan 8.270 nan 0.000 0.561 81 N N 0.734 119.508 118.700 0.123 0.000 2.577 81 N HA 0.504 5.244 4.740 0.000 0.000 0.285 81 N C -1.049 174.522 175.510 0.101 0.000 1.309 81 N CA -0.719 52.363 53.050 0.052 0.000 0.798 81 N CB 1.358 39.830 38.487 -0.024 0.000 1.463 81 N HN 0.256 nan 8.380 nan 0.000 0.518 82 K N 0.344 120.695 120.400 -0.081 0.000 2.427 82 K HA 0.561 4.881 4.320 0.000 0.000 0.252 82 K C -1.231 175.291 176.600 -0.130 0.000 0.931 82 K CA -0.409 55.942 56.287 0.107 0.000 0.793 82 K CB 1.710 34.358 32.500 0.248 0.000 1.211 82 K HN 0.299 nan 8.250 nan 0.000 0.426 83 F N 0.600 120.725 119.950 0.292 0.000 2.611 83 F HA 0.576 5.103 4.527 0.000 0.000 0.324 83 F C -0.220 175.727 175.800 0.245 0.000 1.061 83 F CA -1.076 57.027 58.000 0.171 0.000 0.954 83 F CB 1.841 40.810 39.000 -0.051 0.000 1.301 83 F HN 0.176 nan 8.300 nan 0.000 0.482 84 V N -1.857 118.243 119.914 0.309 0.000 2.789 84 V HA 0.604 4.725 4.120 0.000 0.000 0.311 84 V C -0.600 175.577 176.094 0.139 0.000 1.073 84 V CA -0.751 61.701 62.300 0.254 0.000 0.921 84 V CB 1.238 33.173 31.823 0.186 0.000 1.009 84 V HN 0.714 nan 8.190 nan 0.000 0.426 85 T N 3.916 118.567 114.554 0.163 0.000 2.992 85 T HA 0.337 4.687 4.350 0.000 0.000 0.299 85 T C 0.116 174.855 174.700 0.065 0.000 1.027 85 T CA -0.030 62.132 62.100 0.103 0.000 1.001 85 T CB 0.269 69.242 68.868 0.174 0.000 1.005 85 T HN 0.660 nan 8.240 nan 0.000 0.599 86 V N 5.053 124.965 119.914 -0.004 0.000 2.415 86 V HA 0.192 4.312 4.120 0.000 0.000 0.267 86 V C 0.439 176.503 176.094 -0.049 0.000 1.042 86 V CA -0.203 62.051 62.300 -0.077 0.000 1.000 86 V CB 0.517 32.299 31.823 -0.068 0.000 1.015 86 V HN 0.756 nan 8.190 nan 0.000 0.478 87 Q N 3.805 123.566 119.800 -0.066 0.000 2.342 87 Q HA 0.768 5.108 4.340 0.000 0.000 0.267 87 Q C -0.805 175.134 176.000 -0.101 0.000 1.038 87 Q CA -0.730 55.053 55.803 -0.033 0.000 0.832 87 Q CB 2.061 30.831 28.738 0.054 0.000 1.323 87 Q HN 0.809 nan 8.270 nan 0.000 0.448 88 A N 2.797 125.558 122.820 -0.097 0.000 2.411 88 A HA 0.507 4.828 4.320 0.000 0.000 0.285 88 A C -0.970 176.427 177.584 -0.312 0.000 1.129 88 A CA -0.547 51.347 52.037 -0.239 0.000 0.736 88 A CB 1.682 20.538 19.000 -0.240 0.000 1.186 88 A HN 0.648 nan 8.150 nan 0.000 0.445 89 T N 2.342 116.677 114.554 -0.365 0.000 2.767 89 T HA 0.479 4.829 4.350 0.000 0.000 0.288 89 T C -0.643 173.758 174.700 -0.498 0.000 0.963 89 T CA 0.360 62.289 62.100 -0.286 0.000 1.019 89 T CB -0.077 68.695 68.868 -0.161 0.000 0.923 89 T HN 0.345 nan 8.240 nan 0.000 0.468 90 F N 3.019 122.804 119.950 -0.275 0.000 2.461 90 F HA 0.479 5.007 4.527 0.000 0.000 0.321 90 F C 1.485 177.060 175.800 -0.375 0.000 1.203 90 F CA -0.383 57.365 58.000 -0.421 0.000 1.238 90 F CB -0.023 38.402 39.000 -0.958 0.000 1.528 90 F HN 0.925 nan 8.300 nan 0.000 0.554 91 G N 0.768 109.504 108.800 -0.107 0.000 5.353 91 G HA2 -0.369 3.591 3.960 0.000 0.000 0.283 91 G HA3 -0.369 3.591 3.960 0.000 0.000 0.283 91 G C 1.130 175.998 174.900 -0.054 0.000 1.457 91 G CA 0.829 45.891 45.100 -0.062 0.000 0.951 91 G HN 0.357 nan 8.290 nan 0.000 0.731 92 T N 0.172 114.693 114.554 -0.055 0.000 3.125 92 T HA 0.302 4.652 4.350 0.000 0.000 0.252 92 T C 0.813 175.496 174.700 -0.027 0.000 0.981 92 T CA 0.983 63.065 62.100 -0.029 0.000 1.069 92 T CB 0.291 69.156 68.868 -0.005 0.000 1.091 92 T HN 0.553 nan 8.240 nan 0.000 0.460 93 Q N 3.086 122.859 119.800 -0.045 0.000 2.262 93 Q HA 0.303 4.643 4.340 0.000 0.000 0.272 93 Q C -0.758 175.254 176.000 0.019 0.000 1.076 93 Q CA 0.012 55.808 55.803 -0.012 0.000 0.905 93 Q CB 0.529 29.268 28.738 0.002 0.000 1.182 93 Q HN 0.229 nan 8.270 nan 0.000 0.390 94 V N 5.952 125.890 119.914 0.040 0.000 2.394 94 V HA 0.561 4.681 4.120 0.000 0.000 0.282 94 V C -1.049 175.098 176.094 0.088 0.000 1.031 94 V CA -0.554 61.778 62.300 0.053 0.000 0.881 94 V CB 1.470 33.303 31.823 0.016 0.000 0.982 94 V HN 0.618 nan 8.190 nan 0.000 0.451 95 V N 8.049 128.051 119.914 0.147 0.000 2.350 95 V HA 0.524 4.644 4.120 0.000 0.000 0.285 95 V C -0.128 176.012 176.094 0.077 0.000 1.014 95 V CA -0.507 61.873 62.300 0.134 0.000 0.831 95 V CB 1.386 33.349 31.823 0.233 0.000 1.000 95 V HN 1.012 nan 8.190 nan 0.000 0.433 96 E N 3.840 124.059 120.200 0.033 0.000 2.256 96 E HA 0.878 5.228 4.350 0.000 0.000 0.267 96 E C -1.086 175.509 176.600 -0.009 0.000 0.892 96 E CA -1.343 55.064 56.400 0.011 0.000 0.775 96 E CB 3.049 32.757 29.700 0.014 0.000 1.207 96 E HN 0.333 nan 8.360 nan 0.000 0.420 97 K N 1.634 122.023 120.400 -0.019 0.000 2.565 97 K HA 0.243 4.563 4.320 0.000 0.000 0.251 97 K C -1.920 174.655 176.600 -0.041 0.000 0.956 97 K CA -0.643 55.622 56.287 -0.037 0.000 0.809 97 K CB 2.056 34.533 32.500 -0.038 0.000 1.267 97 K HN 0.463 nan 8.250 nan 0.000 0.438 98 V N 4.396 124.260 119.914 -0.083 0.000 2.530 98 V HA 0.410 4.530 4.120 0.000 0.000 0.282 98 V C -0.160 175.922 176.094 -0.019 0.000 1.048 98 V CA -0.570 61.664 62.300 -0.109 0.000 0.997 98 V CB 1.235 32.854 31.823 -0.341 0.000 0.987 98 V HN 0.530 nan 8.190 nan 0.000 0.477 99 V N 5.487 125.442 119.914 0.069 0.000 2.715 99 V HA 0.430 4.550 4.120 0.000 0.000 0.310 99 V C -0.125 176.092 176.094 0.205 0.000 1.054 99 V CA -0.871 61.505 62.300 0.126 0.000 0.928 99 V CB 1.894 33.770 31.823 0.088 0.000 1.007 99 V HN 0.707 nan 8.190 nan 0.000 0.437 100 L N 4.627 125.943 121.223 0.156 0.000 2.461 100 L HA 0.436 4.776 4.340 0.000 0.000 0.272 100 L C -0.279 176.471 176.870 -0.200 0.000 1.197 100 L CA 0.711 55.441 54.840 -0.185 0.000 0.836 100 L CB 1.063 43.032 42.059 -0.150 0.000 1.105 100 L HN 0.451 nan 8.230 nan 0.000 0.477 101 V N 3.839 123.552 119.914 -0.333 0.000 2.555 101 V HA 0.415 4.535 4.120 0.000 0.000 0.302 101 V C -0.072 175.899 176.094 -0.204 0.000 1.038 101 V CA -0.603 61.574 62.300 -0.205 0.000 0.887 101 V CB 1.545 33.271 31.823 -0.162 0.000 0.991 101 V HN 0.847 nan 8.190 nan 0.000 0.434 102 S N 4.546 120.147 115.700 -0.166 0.000 2.410 102 S HA 0.321 4.792 4.470 0.000 0.000 0.304 102 S C 1.068 175.602 174.600 -0.111 0.000 1.095 102 S CA -0.746 57.374 58.200 -0.134 0.000 1.089 102 S CB 0.322 63.441 63.200 -0.136 0.000 0.968 102 S HN 0.568 nan 8.310 nan 0.000 0.480 103 L N 3.810 124.985 121.223 -0.080 0.000 2.261 103 L HA -0.047 4.293 4.340 0.000 0.000 0.216 103 L C 1.444 178.299 176.870 -0.026 0.000 1.114 103 L CA 1.376 56.188 54.840 -0.048 0.000 0.777 103 L CB -1.471 40.582 42.059 -0.010 0.000 0.910 103 L HN 0.742 nan 8.230 nan 0.000 0.440 104 Q N -0.493 119.303 119.800 -0.007 0.000 2.304 104 Q HA -0.057 4.283 4.340 0.000 0.000 0.301 104 Q C 1.173 177.195 176.000 0.037 0.000 1.063 104 Q CA 0.185 56.008 55.803 0.033 0.000 0.947 104 Q CB 0.558 29.358 28.738 0.105 0.000 1.201 104 Q HN 0.136 nan 8.270 nan 0.000 0.389 105 S N 0.687 116.285 115.700 -0.169 0.000 2.483 105 S HA 0.254 4.724 4.470 0.000 0.000 0.221 105 S C 0.545 174.798 174.600 -0.579 0.000 1.030 105 S CA 0.338 58.301 58.200 -0.395 0.000 0.925 105 S CB 0.671 63.402 63.200 -0.781 0.000 0.795 105 S HN 0.879 nan 8.310 nan 0.000 0.511 106 G N -0.303 108.052 108.800 -0.742 0.000 2.452 106 G HA2 0.395 4.355 3.960 0.000 0.000 0.224 106 G HA3 0.395 4.355 3.960 0.000 0.000 0.224 106 G C -2.103 172.500 174.900 -0.494 0.000 1.208 106 G CA -0.852 43.751 45.100 -0.829 0.000 0.946 106 G HN 0.152 nan 8.290 nan 0.000 0.481 107 Y N -0.525 119.734 120.300 -0.067 0.000 2.549 107 Y HA 0.822 5.372 4.550 0.000 0.000 0.339 107 Y C 0.224 175.724 175.900 -0.667 0.000 1.053 107 Y CA -0.831 57.084 58.100 -0.308 0.000 1.105 107 Y CB 2.284 40.561 38.460 -0.305 0.000 1.258 107 Y HN 0.365 nan 8.280 nan 0.000 0.478 108 L N 3.034 123.275 121.223 -1.635 0.000 2.439 108 L HA 0.492 4.833 4.340 0.000 0.000 0.270 108 L C -1.679 174.514 176.870 -1.129 0.000 0.972 108 L CA -0.481 53.649 54.840 -1.184 0.000 0.836 108 L CB 1.472 42.900 42.059 -1.052 0.000 1.255 108 L HN 0.497 nan 8.230 nan 0.000 0.404 109 F N 3.836 123.700 119.950 -0.144 0.000 2.449 109 F HA 0.545 5.072 4.527 0.000 0.000 0.342 109 F C 0.151 176.057 175.800 0.176 0.000 1.127 109 F CA -0.521 57.504 58.000 0.042 0.000 0.975 109 F CB 1.577 40.621 39.000 0.075 0.000 1.146 109 F HN 0.173 nan 8.300 nan 0.000 0.444 110 I N 3.246 123.977 120.570 0.267 0.000 2.336 110 I HA 0.303 4.473 4.170 0.000 0.000 0.292 110 I C -0.472 175.795 176.117 0.250 0.000 0.991 110 I CA -0.587 60.836 61.300 0.204 0.000 1.227 110 I CB 1.654 39.733 38.000 0.131 0.000 1.366 110 I HN 0.591 nan 8.210 nan 0.000 0.466 111 Q N 5.988 125.933 119.800 0.240 0.000 2.333 111 Q HA 0.417 4.758 4.340 0.000 0.000 0.265 111 Q C -0.900 175.219 176.000 0.199 0.000 0.989 111 Q CA -0.669 55.281 55.803 0.244 0.000 0.842 111 Q CB 1.751 30.685 28.738 0.327 0.000 1.262 111 Q HN 0.766 nan 8.270 nan 0.000 0.451 112 T N 0.301 114.969 114.554 0.190 0.000 2.824 112 T HA 0.172 4.522 4.350 0.000 0.000 0.280 112 T C 0.888 175.689 174.700 0.168 0.000 0.995 112 T CA -0.534 61.681 62.100 0.192 0.000 1.009 112 T CB 1.201 70.188 68.868 0.198 0.000 0.955 112 T HN 0.701 nan 8.240 nan 0.000 0.452 113 D N 2.643 123.142 120.400 0.166 0.000 2.116 113 D HA -0.135 4.505 4.640 0.000 0.000 0.193 113 D C 0.402 176.714 176.300 0.020 0.000 0.998 113 D CA 1.379 55.443 54.000 0.106 0.000 0.836 113 D CB 0.009 40.873 40.800 0.107 0.000 0.951 113 D HN 0.639 nan 8.370 nan 0.000 0.449 114 K N -1.389 118.976 120.400 -0.058 0.000 2.352 114 K HA 0.397 4.717 4.320 0.000 0.000 0.240 114 K C 0.856 177.255 176.600 -0.335 0.000 1.017 114 K CA -0.098 55.979 56.287 -0.351 0.000 0.851 114 K CB 1.913 34.033 32.500 -0.633 0.000 1.261 114 K HN 0.039 nan 8.250 nan 0.000 0.451 115 T N -2.221 112.113 114.554 -0.366 0.000 3.037 115 T HA 0.261 4.611 4.350 0.000 0.000 0.251 115 T C 0.721 175.342 174.700 -0.132 0.000 1.079 115 T CA 0.042 62.048 62.100 -0.156 0.000 1.067 115 T CB 0.072 68.849 68.868 -0.152 0.000 0.948 115 T HN 0.479 nan 8.240 nan 0.000 0.496 116 I N 0.380 120.727 120.570 -0.371 0.000 2.656 116 I HA 0.582 4.753 4.170 0.000 0.000 0.292 116 I C -1.925 174.038 176.117 -0.257 0.000 1.144 116 I CA -1.600 59.586 61.300 -0.190 0.000 1.038 116 I CB 2.092 39.918 38.000 -0.289 0.000 1.244 116 I HN 0.038 nan 8.210 nan 0.000 0.420 117 Y N 3.143 123.623 120.300 0.301 0.000 2.570 117 Y HA 0.564 5.114 4.550 0.000 0.000 0.345 117 Y C 0.242 176.296 175.900 0.258 0.000 1.014 117 Y CA -0.799 57.458 58.100 0.260 0.000 1.063 117 Y CB 2.152 40.706 38.460 0.157 0.000 1.272 117 Y HN 0.503 nan 8.280 nan 0.000 0.477 118 T N -0.823 113.856 114.554 0.209 0.000 2.867 118 T HA 0.459 4.809 4.350 0.000 0.000 0.282 118 T C -2.931 171.782 174.700 0.022 0.000 1.000 118 T CA -2.809 59.294 62.100 0.006 0.000 1.042 118 T CB 1.383 70.107 68.868 -0.239 0.000 0.973 118 T HN 0.192 nan 8.240 nan 0.000 0.465 119 P HA 0.261 nan 4.420 nan 0.000 0.256 119 P C 1.054 178.319 177.300 -0.059 0.000 1.189 119 P CA 0.982 64.073 63.100 -0.016 0.000 0.808 119 P CB -0.102 31.604 31.700 0.010 0.000 0.793 120 G N 1.962 110.702 108.800 -0.100 0.000 2.705 120 G HA2 -0.157 3.803 3.960 0.000 0.000 0.193 120 G HA3 -0.157 3.803 3.960 0.000 0.000 0.193 120 G C 0.395 175.221 174.900 -0.122 0.000 1.015 120 G CA 0.180 45.214 45.100 -0.111 0.000 0.743 120 G HN 0.640 nan 8.290 nan 0.000 0.476 121 S N 0.185 115.829 115.700 -0.093 0.000 2.661 121 S HA 0.706 5.176 4.470 0.000 0.000 0.265 121 S C -0.005 174.511 174.600 -0.139 0.000 1.225 121 S CA 0.528 58.687 58.200 -0.067 0.000 0.986 121 S CB 1.678 64.897 63.200 0.031 0.000 1.008 121 S HN 0.489 nan 8.310 nan 0.000 0.565 122 T N 1.088 115.580 114.554 -0.104 0.000 2.823 122 T HA 0.478 4.828 4.350 0.000 0.000 0.279 122 T C -0.648 173.963 174.700 -0.148 0.000 0.998 122 T CA -0.603 61.397 62.100 -0.167 0.000 0.994 122 T CB 1.302 70.094 68.868 -0.125 0.000 0.960 122 T HN 0.504 nan 8.240 nan 0.000 0.448 123 V N 5.100 124.846 119.914 -0.280 0.000 2.353 123 V HA 0.261 4.382 4.120 0.000 0.000 0.264 123 V C 0.091 176.163 176.094 -0.037 0.000 1.049 123 V CA -0.518 61.532 62.300 -0.417 0.000 0.896 123 V CB 0.072 31.382 31.823 -0.855 0.000 1.025 123 V HN 0.694 nan 8.190 nan 0.000 0.475 124 L N 7.714 128.961 121.223 0.041 0.000 2.283 124 L HA 0.491 4.832 4.340 0.000 0.000 0.287 124 L C -0.464 176.464 176.870 0.097 0.000 1.073 124 L CA -0.374 54.482 54.840 0.027 0.000 0.822 124 L CB 0.072 42.142 42.059 0.018 0.000 1.186 124 L HN 0.751 nan 8.230 nan 0.000 0.436 125 Y N 1.645 121.898 120.300 -0.079 0.000 2.492 125 Y HA 0.769 5.320 4.550 0.000 0.000 0.346 125 Y C -0.813 175.020 175.900 -0.112 0.000 0.997 125 Y CA -1.439 56.614 58.100 -0.078 0.000 1.025 125 Y CB 1.332 39.733 38.460 -0.099 0.000 1.263 125 Y HN 0.366 nan 8.280 nan 0.000 0.454 126 R N 2.569 123.017 120.500 -0.086 0.000 2.803 126 R HA 0.725 5.065 4.340 0.000 0.000 0.276 126 R C -1.700 174.401 176.300 -0.333 0.000 0.978 126 R CA -1.130 54.789 56.100 -0.302 0.000 0.939 126 R CB 2.388 32.440 30.300 -0.413 0.000 1.179 126 R HN 0.687 nan 8.270 nan 0.000 0.472 127 I N 2.101 122.427 120.570 -0.406 0.000 2.433 127 I HA 0.312 4.482 4.170 0.000 0.000 0.292 127 I C -0.910 174.938 176.117 -0.448 0.000 1.001 127 I CA -0.277 60.834 61.300 -0.316 0.000 1.119 127 I CB 1.203 39.110 38.000 -0.155 0.000 1.289 127 I HN 0.368 nan 8.210 nan 0.000 0.438 128 F N 3.523 123.483 119.950 0.017 0.000 2.404 128 F HA 0.459 4.987 4.527 0.000 0.000 0.354 128 F C 0.626 176.440 175.800 0.023 0.000 1.122 128 F CA -0.855 57.171 58.000 0.042 0.000 1.080 128 F CB 1.419 40.482 39.000 0.106 0.000 1.131 128 F HN 0.377 nan 8.300 nan 0.000 0.471 129 T N 1.504 116.168 114.554 0.182 0.000 2.853 129 T HA 0.649 4.999 4.350 0.000 0.000 0.317 129 T C -0.555 174.281 174.700 0.227 0.000 1.059 129 T CA -0.660 61.544 62.100 0.173 0.000 0.954 129 T CB 0.146 69.097 68.868 0.139 0.000 0.994 129 T HN 0.500 nan 8.240 nan 0.000 0.479 130 V N 1.489 121.555 119.914 0.254 0.000 2.823 130 V HA 0.747 4.867 4.120 0.000 0.000 0.312 130 V C -0.063 176.134 176.094 0.172 0.000 1.072 130 V CA -1.404 61.019 62.300 0.204 0.000 0.937 130 V CB 1.651 33.597 31.823 0.206 0.000 1.013 130 V HN 0.877 nan 8.190 nan 0.000 0.430 131 N N 1.228 119.993 118.700 0.109 0.000 2.332 131 N HA 0.130 4.870 4.740 0.000 0.000 0.282 131 N C 0.623 176.211 175.510 0.129 0.000 1.288 131 N CA 0.323 53.394 53.050 0.035 0.000 0.949 131 N CB -0.519 38.006 38.487 0.064 0.000 1.108 131 N HN 0.805 nan 8.380 nan 0.000 0.542 132 H N -1.974 117.194 119.070 0.162 0.000 2.563 132 H HA 0.162 4.718 4.556 0.000 0.000 0.272 132 H C 0.286 175.797 175.328 0.305 0.000 1.005 132 H CA 0.819 57.051 56.048 0.307 0.000 1.171 132 H CB 0.093 29.936 29.762 0.134 0.000 1.351 132 H HN 0.477 nan 8.280 nan 0.000 0.602 133 K N 0.497 121.068 120.400 0.285 0.000 2.414 133 K HA 0.200 4.520 4.320 0.000 0.000 0.204 133 K C -0.333 176.355 176.600 0.147 0.000 1.026 133 K CA -0.050 56.356 56.287 0.199 0.000 1.108 133 K CB 1.017 33.599 32.500 0.137 0.000 0.855 133 K HN 0.101 nan 8.250 nan 0.000 0.517 134 L N 1.696 123.006 121.223 0.146 0.000 3.601 134 L HA -0.232 4.108 4.340 0.000 0.000 0.469 134 L C -0.959 175.938 176.870 0.045 0.000 1.294 134 L CA 0.385 55.259 54.840 0.056 0.000 0.829 134 L CB -1.585 40.422 42.059 -0.086 0.000 1.628 134 L HN 0.259 nan 8.230 nan 0.000 0.868 135 L N -0.411 120.858 121.223 0.077 0.000 2.388 135 L HA 0.633 4.973 4.340 0.000 0.000 0.264 135 L C -2.158 174.756 176.870 0.073 0.000 0.998 135 L CA -2.037 52.839 54.840 0.061 0.000 0.817 135 L CB 2.132 44.227 42.059 0.059 0.000 1.338 135 L HN -0.205 nan 8.230 nan 0.000 0.414 136 P HA 0.022 nan 4.420 nan 0.000 0.261 136 P C -1.060 176.282 177.300 0.071 0.000 1.183 136 P CA 0.254 63.399 63.100 0.075 0.000 0.761 136 P CB 0.751 32.486 31.700 0.058 0.000 0.785 137 V N 3.641 123.606 119.914 0.085 0.000 2.851 137 V HA 0.671 4.791 4.120 0.000 0.000 0.307 137 V C -0.209 175.936 176.094 0.084 0.000 1.129 137 V CA -0.619 61.724 62.300 0.073 0.000 0.932 137 V CB 2.248 34.109 31.823 0.064 0.000 1.024 137 V HN 0.612 nan 8.190 nan 0.000 0.426 138 G N 6.156 114.994 108.800 0.063 0.000 2.365 138 G HA2 0.622 4.582 3.960 0.000 0.000 0.293 138 G HA3 0.622 4.582 3.960 0.000 0.000 0.293 138 G C -0.350 174.597 174.900 0.079 0.000 1.128 138 G CA -0.324 44.813 45.100 0.062 0.000 0.971 138 G HN 0.622 nan 8.290 nan 0.000 0.422 139 R N 1.164 121.734 120.500 0.115 0.000 2.855 139 R HA 0.526 4.866 4.340 0.000 0.000 0.266 139 R C -0.680 175.695 176.300 0.125 0.000 1.034 139 R CA -0.747 55.450 56.100 0.161 0.000 0.944 139 R CB 1.405 31.907 30.300 0.337 0.000 1.219 139 R HN 0.403 nan 8.270 nan 0.000 0.474 140 T N 1.078 115.710 114.554 0.131 0.000 2.744 140 T HA 0.455 4.806 4.350 0.000 0.000 0.291 140 T C -0.196 174.516 174.700 0.021 0.000 0.957 140 T CA -0.437 61.698 62.100 0.058 0.000 1.002 140 T CB 1.043 69.941 68.868 0.050 0.000 0.919 140 T HN 0.124 nan 8.240 nan 0.000 0.468 141 V N 5.002 124.861 119.914 -0.093 0.000 2.540 141 V HA 0.454 4.575 4.120 0.000 0.000 0.302 141 V C -0.236 175.695 176.094 -0.271 0.000 1.035 141 V CA -1.009 61.150 62.300 -0.234 0.000 0.873 141 V CB 1.927 33.563 31.823 -0.312 0.000 0.992 141 V HN 0.790 nan 8.190 nan 0.000 0.428 142 M N 4.694 124.006 119.600 -0.480 0.000 2.108 142 M HA 0.469 4.949 4.480 0.000 0.000 0.354 142 M C -0.705 175.316 176.300 -0.464 0.000 1.229 142 M CA -0.344 54.638 55.300 -0.530 0.000 1.081 142 M CB 1.130 33.221 32.600 -0.849 0.000 1.606 142 M HN 0.345 nan 8.290 nan 0.000 0.467 143 V N 5.061 124.843 119.914 -0.220 0.000 2.409 143 V HA 0.460 4.580 4.120 0.000 0.000 0.291 143 V C -0.329 175.729 176.094 -0.059 0.000 1.020 143 V CA -0.826 61.407 62.300 -0.112 0.000 0.848 143 V CB 1.765 33.570 31.823 -0.029 0.000 0.990 143 V HN 0.754 nan 8.190 nan 0.000 0.430 144 N N 4.082 122.760 118.700 -0.036 0.000 2.272 144 N HA 0.674 5.415 4.740 0.000 0.000 0.305 144 N C -0.961 174.505 175.510 -0.073 0.000 1.103 144 N CA -0.513 52.521 53.050 -0.027 0.000 0.791 144 N CB 2.521 41.023 38.487 0.024 0.000 1.356 144 N HN 0.529 nan 8.380 nan 0.000 0.486 145 I N 1.057 121.558 120.570 -0.115 0.000 2.420 145 I HA 0.239 4.409 4.170 0.000 0.000 0.282 145 I C -0.192 175.873 176.117 -0.087 0.000 1.019 145 I CA -0.494 60.699 61.300 -0.178 0.000 1.130 145 I CB 1.139 38.852 38.000 -0.478 0.000 1.262 145 I HN 0.229 nan 8.210 nan 0.000 0.454 146 E N 5.078 125.237 120.200 -0.069 0.000 2.216 146 E HA 0.206 4.556 4.350 0.000 0.000 0.279 146 E C -0.435 175.960 176.600 -0.340 0.000 0.997 146 E CA -0.820 55.495 56.400 -0.142 0.000 0.817 146 E CB 1.261 30.877 29.700 -0.139 0.000 1.096 146 E HN 0.531 nan 8.360 nan 0.000 0.393 147 N N 2.653 120.954 118.700 -0.665 0.000 2.317 147 N HA 0.044 4.784 4.740 0.000 0.000 0.245 147 N C -2.122 172.772 175.510 -1.027 0.000 1.294 147 N CA -1.573 50.545 53.050 -1.552 0.000 0.924 147 N CB -0.300 37.502 38.487 -1.143 0.000 1.186 147 N HN 0.065 nan 8.380 nan 0.000 0.495 148 P HA -0.106 nan 4.420 nan 0.000 0.222 148 P C 0.023 177.107 177.300 -0.361 0.000 1.142 148 P CA 1.397 64.153 63.100 -0.574 0.000 0.788 148 P CB 0.058 31.493 31.700 -0.442 0.000 0.767 149 E N -1.361 118.625 120.200 -0.357 0.000 2.444 149 E HA 0.232 4.582 4.350 0.000 0.000 0.191 149 E C 0.885 177.366 176.600 -0.198 0.000 1.041 149 E CA 0.086 56.351 56.400 -0.225 0.000 0.883 149 E CB -0.365 29.227 29.700 -0.180 0.000 1.024 149 E HN 0.093 nan 8.360 nan 0.000 0.470 150 G N 2.305 110.962 108.800 -0.239 0.000 2.273 150 G HA2 -0.234 3.726 3.960 0.000 0.000 0.280 150 G HA3 -0.234 3.726 3.960 0.000 0.000 0.280 150 G C -0.004 174.811 174.900 -0.142 0.000 1.047 150 G CA 0.047 45.041 45.100 -0.178 0.000 0.869 150 G HN 0.203 nan 8.290 nan 0.000 0.502 151 I N 0.164 120.634 120.570 -0.166 0.000 2.410 151 I HA 0.303 4.473 4.170 0.000 0.000 0.286 151 I C -2.229 173.834 176.117 -0.091 0.000 1.009 151 I CA -3.275 57.960 61.300 -0.107 0.000 1.111 151 I CB 1.573 39.518 38.000 -0.091 0.000 1.262 151 I HN -0.187 nan 8.210 nan 0.000 0.443 152 P HA -0.018 nan 4.420 nan 0.000 0.261 152 P C 1.028 178.334 177.300 0.009 0.000 1.183 152 P CA 0.301 63.386 63.100 -0.024 0.000 0.761 152 P CB 0.657 32.354 31.700 -0.004 0.000 0.785 153 V N 0.842 120.779 119.914 0.039 0.000 3.635 153 V HA 0.322 4.442 4.120 0.000 0.000 0.266 153 V C 0.457 176.620 176.094 0.114 0.000 1.316 153 V CA 0.640 63.009 62.300 0.114 0.000 1.060 153 V CB -0.342 31.633 31.823 0.253 0.000 0.820 153 V HN 0.385 nan 8.190 nan 0.000 0.447 154 K N 2.016 122.442 120.400 0.044 0.000 2.565 154 K HA 0.466 4.787 4.320 0.000 0.000 0.251 154 K C -1.664 174.943 176.600 0.012 0.000 0.956 154 K CA -0.451 55.865 56.287 0.049 0.000 0.809 154 K CB 1.867 34.402 32.500 0.059 0.000 1.267 154 K HN 0.383 nan 8.250 nan 0.000 0.438 155 Q N 3.358 123.175 119.800 0.028 0.000 2.323 155 Q HA 0.470 4.810 4.340 0.000 0.000 0.271 155 Q C -1.489 174.517 176.000 0.010 0.000 1.048 155 Q CA -0.508 55.302 55.803 0.012 0.000 0.792 155 Q CB 2.288 31.037 28.738 0.018 0.000 1.280 155 Q HN 0.591 nan 8.270 nan 0.000 0.441 156 D N 0.949 121.343 120.400 -0.011 0.000 2.758 156 D HA 0.532 5.173 4.640 0.000 0.000 0.279 156 D C -0.926 175.345 176.300 -0.050 0.000 1.111 156 D CA -0.502 53.488 54.000 -0.016 0.000 1.109 156 D CB 1.679 42.476 40.800 -0.005 0.000 1.428 156 D HN 0.468 nan 8.370 nan 0.000 0.586 157 S N 0.433 116.104 115.700 -0.047 0.000 2.680 157 S HA 0.356 4.826 4.470 0.000 0.000 0.140 157 S C -1.175 173.394 174.600 -0.052 0.000 1.357 157 S CA -0.470 57.692 58.200 -0.064 0.000 1.201 157 S CB -0.634 62.540 63.200 -0.043 0.000 1.547 157 S HN 0.211 nan 8.310 nan 0.000 0.411 158 L N 1.852 123.037 121.223 -0.064 0.000 2.479 158 L HA 0.685 5.026 4.340 0.000 0.000 0.248 158 L C 0.757 177.600 176.870 -0.046 0.000 1.205 158 L CA 0.065 54.872 54.840 -0.055 0.000 0.817 158 L CB 0.957 42.974 42.059 -0.069 0.000 1.162 158 L HN 0.499 nan 8.230 nan 0.000 0.486 159 S N -1.629 114.051 115.700 -0.034 0.000 2.677 159 S HA 0.292 4.763 4.470 0.000 0.000 0.283 159 S C 0.338 174.931 174.600 -0.012 0.000 1.159 159 S CA -0.265 57.928 58.200 -0.013 0.000 1.001 159 S CB 0.959 64.159 63.200 0.000 0.000 1.032 159 S HN 0.629 nan 8.310 nan 0.000 0.487 160 S N 3.144 118.844 115.700 -0.001 0.000 2.660 160 S HA 0.043 4.513 4.470 0.000 0.000 0.228 160 S C 0.634 175.243 174.600 0.015 0.000 0.966 160 S CA 0.016 58.217 58.200 0.003 0.000 0.940 160 S CB -0.341 62.872 63.200 0.020 0.000 0.773 160 S HN 0.733 nan 8.310 nan 0.000 0.535 161 Q N 2.493 122.302 119.800 0.016 0.000 2.263 161 Q HA 0.119 4.459 4.340 0.000 0.000 0.289 161 Q C 0.004 176.010 176.000 0.010 0.000 1.061 161 Q CA 0.668 56.481 55.803 0.018 0.000 0.927 161 Q CB -0.323 28.425 28.738 0.017 0.000 1.154 161 Q HN 0.375 nan 8.270 nan 0.000 0.378 162 N N 2.658 121.366 118.700 0.012 0.000 2.714 162 N HA -0.231 4.509 4.740 0.000 0.000 0.250 162 N C -0.553 174.958 175.510 0.002 0.000 1.117 162 N CA 1.321 54.376 53.050 0.007 0.000 0.719 162 N CB -1.044 37.445 38.487 0.004 0.000 1.081 162 N HN 0.693 nan 8.380 nan 0.000 0.557 163 Q N -0.041 119.761 119.800 0.004 0.000 2.127 163 Q HA 0.396 4.736 4.340 0.000 0.000 0.222 163 Q C 0.133 176.137 176.000 0.007 0.000 0.794 163 Q CA -0.323 55.478 55.803 -0.004 0.000 1.010 163 Q CB 0.377 29.104 28.738 -0.017 0.000 1.170 163 Q HN 0.295 nan 8.270 nan 0.000 0.479 164 L N 0.191 121.426 121.223 0.019 0.000 3.717 164 L HA -0.187 4.153 4.340 0.000 0.000 0.411 164 L C 0.532 177.436 176.870 0.056 0.000 1.233 164 L CA 1.324 56.183 54.840 0.033 0.000 0.917 164 L CB -1.469 40.605 42.059 0.025 0.000 1.902 164 L HN 0.480 nan 8.230 nan 0.000 0.894 165 G N -1.022 107.812 108.800 0.056 0.000 2.305 165 G HA2 -0.163 3.797 3.960 0.000 0.000 0.287 165 G HA3 -0.163 3.797 3.960 0.000 0.000 0.287 165 G C 0.095 175.048 174.900 0.088 0.000 1.036 165 G CA 0.300 45.450 45.100 0.085 0.000 0.887 165 G HN 1.194 nan 8.290 nan 0.000 0.505 166 V N 0.593 120.513 119.914 0.009 0.000 2.488 166 V HA 0.472 4.592 4.120 0.000 0.000 0.293 166 V C 0.202 176.210 176.094 -0.143 0.000 1.027 166 V CA -0.681 61.567 62.300 -0.088 0.000 0.862 166 V CB 1.808 33.618 31.823 -0.021 0.000 1.008 166 V HN 0.299 nan 8.190 nan 0.000 0.428 167 L N 7.026 128.115 121.223 -0.222 0.000 2.335 167 L HA 0.436 4.776 4.340 0.000 0.000 0.268 167 L C -2.493 174.226 176.870 -0.252 0.000 1.037 167 L CA -1.594 53.129 54.840 -0.195 0.000 0.895 167 L CB 1.678 43.637 42.059 -0.167 0.000 1.266 167 L HN 0.392 nan 8.230 nan 0.000 0.439 168 P HA 0.245 nan 4.420 nan 0.000 0.271 168 P C -0.616 176.502 177.300 -0.303 0.000 1.226 168 P CA 0.318 63.271 63.100 -0.245 0.000 0.765 168 P CB 0.842 32.443 31.700 -0.165 0.000 0.835 169 L N 1.896 122.831 121.223 -0.481 0.000 2.403 169 L HA 0.728 5.068 4.340 0.000 0.000 0.253 169 L C -0.246 176.203 176.870 -0.701 0.000 1.045 169 L CA -0.673 53.786 54.840 -0.636 0.000 0.845 169 L CB 2.403 43.913 42.059 -0.914 0.000 1.447 169 L HN 0.383 nan 8.230 nan 0.000 0.411 170 S N -0.997 114.432 115.700 -0.451 0.000 2.547 170 S HA 0.613 5.083 4.470 0.000 0.000 0.270 170 S C -2.148 172.544 174.600 0.154 0.000 1.150 170 S CA -0.749 57.365 58.200 -0.144 0.000 0.850 170 S CB 1.914 65.047 63.200 -0.112 0.000 1.118 170 S HN 0.626 nan 8.310 nan 0.000 0.461 171 W N 2.246 123.542 121.300 -0.008 0.000 2.884 171 W HA 0.540 5.201 4.660 0.000 0.000 0.336 171 W C -1.896 174.539 176.519 -0.140 0.000 1.038 171 W CA -0.413 56.908 57.345 -0.040 0.000 1.247 171 W CB 1.267 30.720 29.460 -0.011 0.000 1.351 171 W HN 0.685 nan 8.180 nan 0.000 0.446 172 D N 5.845 125.833 120.400 -0.686 0.000 2.383 172 D HA 0.200 4.840 4.640 0.000 0.000 0.252 172 D C 0.226 175.782 176.300 -1.240 0.000 1.166 172 D CA 0.447 54.015 54.000 -0.720 0.000 0.879 172 D CB 1.130 41.668 40.800 -0.436 0.000 1.164 172 D HN 0.317 nan 8.370 nan 0.000 0.462 173 I N 4.428 124.436 120.570 -0.938 0.000 2.301 173 I HA 0.165 4.336 4.170 0.000 0.000 0.292 173 I C -2.013 173.821 176.117 -0.472 0.000 1.046 173 I CA -1.926 58.838 61.300 -0.893 0.000 1.282 173 I CB 0.856 38.528 38.000 -0.547 0.000 1.409 173 I HN -0.004 nan 8.210 nan 0.000 0.484 174 P HA 0.011 nan 4.420 nan 0.000 0.268 174 P C 0.604 177.838 177.300 -0.110 0.000 1.208 174 P CA -0.139 62.850 63.100 -0.185 0.000 0.777 174 P CB 0.696 32.339 31.700 -0.096 0.000 0.875 175 E N 1.280 121.434 120.200 -0.077 0.000 2.058 175 E HA -0.129 4.222 4.350 0.000 0.000 0.194 175 E C 0.628 177.221 176.600 -0.011 0.000 0.997 175 E CA 1.316 57.689 56.400 -0.045 0.000 0.801 175 E CB -0.273 29.404 29.700 -0.039 0.000 0.746 175 E HN 0.465 nan 8.360 nan 0.000 0.450 176 L N 1.942 123.166 121.223 0.003 0.000 2.358 176 L HA 0.219 4.560 4.340 0.000 0.000 0.274 176 L C -0.001 176.911 176.870 0.070 0.000 1.136 176 L CA -0.424 54.435 54.840 0.033 0.000 0.970 176 L CB 0.750 42.827 42.059 0.029 0.000 1.314 176 L HN -0.157 nan 8.230 nan 0.000 0.427 177 V N 2.531 122.505 119.914 0.100 0.000 2.914 177 V HA 0.467 4.587 4.120 0.000 0.000 0.314 177 V C -0.491 175.743 176.094 0.233 0.000 1.084 177 V CA -0.805 61.612 62.300 0.196 0.000 0.963 177 V CB 2.722 34.660 31.823 0.191 0.000 1.025 177 V HN 0.597 nan 8.190 nan 0.000 0.432 178 N N 4.572 123.463 118.700 0.318 0.000 2.405 178 N HA 0.349 5.089 4.740 0.000 0.000 0.260 178 N C -0.377 175.317 175.510 0.305 0.000 1.152 178 N CA -0.114 53.072 53.050 0.226 0.000 0.948 178 N CB 0.748 39.300 38.487 0.108 0.000 1.111 178 N HN 0.567 nan 8.380 nan 0.000 0.485 179 M N 1.436 121.161 119.600 0.209 0.000 2.248 179 M HA 0.384 4.864 4.480 0.000 0.000 0.337 179 M C 1.262 177.647 176.300 0.142 0.000 1.121 179 M CA 0.516 55.944 55.300 0.213 0.000 1.155 179 M CB 0.433 33.119 32.600 0.144 0.000 1.514 179 M HN 0.748 nan 8.290 nan 0.000 0.452 180 G N 0.914 109.811 108.800 0.162 0.000 2.350 180 G HA2 0.109 4.070 3.960 0.000 0.000 0.276 180 G HA3 0.109 4.070 3.960 0.000 0.000 0.276 180 G C -1.744 173.193 174.900 0.061 0.000 1.313 180 G CA -0.948 44.181 45.100 0.047 0.000 0.903 180 G HN 0.428 nan 8.290 nan 0.000 0.490 181 Q N 0.447 120.214 119.800 -0.054 0.000 2.490 181 Q HA 0.318 4.658 4.340 0.000 0.000 0.226 181 Q C -0.566 175.318 176.000 -0.194 0.000 1.132 181 Q CA -0.217 55.542 55.803 -0.073 0.000 0.928 181 Q CB 0.633 29.332 28.738 -0.066 0.000 1.299 181 Q HN 0.431 nan 8.270 nan 0.000 0.528 182 W N 1.957 122.967 121.300 -0.483 0.000 1.975 182 W HA 0.199 4.859 4.660 0.000 0.000 0.359 182 W C 0.814 176.972 176.519 -0.602 0.000 1.363 182 W CA 0.204 57.142 57.345 -0.679 0.000 1.376 182 W CB 0.519 29.238 29.460 -1.235 0.000 1.231 182 W HN 0.242 nan 8.180 nan 0.000 0.641 183 K N 0.877 121.178 120.400 -0.166 0.000 2.523 183 K HA 0.485 4.806 4.320 0.000 0.000 0.257 183 K C -1.665 174.955 176.600 0.034 0.000 0.932 183 K CA -0.604 55.653 56.287 -0.049 0.000 0.812 183 K CB 1.191 33.648 32.500 -0.071 0.000 1.326 183 K HN 0.425 nan 8.250 nan 0.000 0.433 184 I N 4.784 125.391 120.570 0.061 0.000 2.405 184 I HA 0.365 4.536 4.170 0.000 0.000 0.280 184 I C -0.310 175.804 176.117 -0.006 0.000 1.027 184 I CA -0.743 60.535 61.300 -0.037 0.000 1.161 184 I CB 1.389 39.285 38.000 -0.173 0.000 1.300 184 I HN 0.394 nan 8.210 nan 0.000 0.463 185 R N 4.697 125.198 120.500 0.002 0.000 2.474 185 R HA 0.883 5.223 4.340 0.000 0.000 0.295 185 R C -0.554 175.790 176.300 0.074 0.000 0.980 185 R CA -0.608 55.529 56.100 0.062 0.000 0.934 185 R CB 2.151 32.494 30.300 0.072 0.000 1.101 185 R HN 0.675 nan 8.270 nan 0.000 0.469 186 A N 2.114 125.015 122.820 0.136 0.000 2.572 186 A HA 0.717 5.037 4.320 0.000 0.000 0.295 186 A C -1.762 175.953 177.584 0.219 0.000 1.072 186 A CA -0.787 51.286 52.037 0.059 0.000 0.691 186 A CB 1.392 20.376 19.000 -0.026 0.000 1.291 186 A HN 0.790 nan 8.150 nan 0.000 0.404 187 Y N -2.059 118.240 120.300 -0.001 0.000 2.662 187 Y HA 0.676 5.226 4.550 0.000 0.000 0.334 187 Y C -1.495 174.372 175.900 -0.056 0.000 1.185 187 Y CA -1.610 56.507 58.100 0.029 0.000 1.074 187 Y CB 0.304 38.795 38.460 0.051 0.000 1.330 187 Y HN 0.613 nan 8.280 nan 0.000 0.458 188 Y N 1.805 122.249 120.300 0.241 0.000 2.397 188 Y HA 0.131 4.681 4.550 0.000 0.000 0.335 188 Y C 1.802 177.810 175.900 0.180 0.000 1.213 188 Y CA 0.419 58.593 58.100 0.124 0.000 1.391 188 Y CB 1.085 39.610 38.460 0.108 0.000 1.293 188 Y HN 0.920 nan 8.280 nan 0.000 0.557 189 E N 1.310 121.650 120.200 0.232 0.000 2.204 189 E HA -0.239 4.111 4.350 0.000 0.000 0.195 189 E C 0.688 177.415 176.600 0.211 0.000 0.990 189 E CA 1.281 57.794 56.400 0.189 0.000 0.821 189 E CB 0.121 29.885 29.700 0.107 0.000 0.750 189 E HN 0.687 nan 8.360 nan 0.000 0.477 190 N N 0.005 118.828 118.700 0.205 0.000 2.398 190 N HA -0.027 4.714 4.740 0.000 0.000 0.188 190 N C -0.467 175.126 175.510 0.138 0.000 1.122 190 N CA 0.666 53.802 53.050 0.143 0.000 0.866 190 N CB 1.053 39.593 38.487 0.088 0.000 0.970 190 N HN 0.024 nan 8.380 nan 0.000 0.462 191 S N -1.008 114.815 115.700 0.206 0.000 2.386 191 S HA 0.306 4.776 4.470 0.000 0.000 0.152 191 S C -2.369 172.319 174.600 0.147 0.000 1.511 191 S CA -0.968 57.322 58.200 0.151 0.000 1.246 191 S CB 1.921 65.205 63.200 0.140 0.000 1.338 191 S HN -0.113 nan 8.310 nan 0.000 0.409 192 P HA -0.129 nan 4.420 nan 0.000 0.230 192 P C 1.283 178.349 177.300 -0.389 0.000 1.158 192 P CA 0.876 63.813 63.100 -0.273 0.000 0.769 192 P CB 0.166 31.784 31.700 -0.137 0.000 0.807 193 Q N -0.012 119.679 119.800 -0.182 0.000 2.250 193 Q HA -0.056 4.285 4.340 0.000 0.000 0.200 193 Q C 1.189 177.081 176.000 -0.180 0.000 0.941 193 Q CA 0.717 56.418 55.803 -0.169 0.000 0.872 193 Q CB -0.696 27.983 28.738 -0.098 0.000 0.965 193 Q HN 0.326 nan 8.270 nan 0.000 0.480 194 Q N 1.609 121.325 119.800 -0.140 0.000 2.472 194 Q HA 0.387 4.727 4.340 0.000 0.000 0.227 194 Q C -1.455 174.405 176.000 -0.233 0.000 1.156 194 Q CA -0.242 55.440 55.803 -0.200 0.000 0.924 194 Q CB 0.717 29.378 28.738 -0.127 0.000 1.354 194 Q HN 0.034 nan 8.270 nan 0.000 0.525 195 V N 5.313 125.043 119.914 -0.308 0.000 2.417 195 V HA 0.432 4.552 4.120 0.000 0.000 0.291 195 V C -0.499 175.428 176.094 -0.279 0.000 1.024 195 V CA -0.608 61.598 62.300 -0.157 0.000 0.861 195 V CB 0.966 32.731 31.823 -0.096 0.000 0.985 195 V HN 0.563 nan 8.190 nan 0.000 0.436 196 F N 1.795 121.765 119.950 0.033 0.000 2.399 196 F HA 0.727 5.255 4.527 0.000 0.000 0.328 196 F C 0.803 176.613 175.800 0.016 0.000 1.084 196 F CA -0.205 57.796 58.000 0.002 0.000 1.053 196 F CB 1.718 40.689 39.000 -0.048 0.000 1.209 196 F HN 0.399 nan 8.300 nan 0.000 0.502 197 S N -0.143 115.677 115.700 0.199 0.000 2.541 197 S HA 0.713 5.183 4.470 0.000 0.000 0.271 197 S C -1.113 173.564 174.600 0.129 0.000 1.133 197 S CA -0.853 57.422 58.200 0.124 0.000 0.876 197 S CB 2.141 65.381 63.200 0.068 0.000 1.105 197 S HN 0.535 nan 8.310 nan 0.000 0.470 198 T N 2.308 116.931 114.554 0.115 0.000 2.991 198 T HA 0.388 4.738 4.350 0.000 0.000 0.303 198 T C -1.023 173.776 174.700 0.165 0.000 1.015 198 T CA -0.704 61.480 62.100 0.141 0.000 1.007 198 T CB 1.389 70.349 68.868 0.154 0.000 1.034 198 T HN 0.547 nan 8.240 nan 0.000 0.446 199 E N 2.143 122.437 120.200 0.157 0.000 2.248 199 E HA 0.680 5.030 4.350 0.000 0.000 0.272 199 E C -0.945 175.821 176.600 0.276 0.000 1.008 199 E CA -0.850 55.633 56.400 0.139 0.000 0.856 199 E CB 1.383 31.115 29.700 0.054 0.000 1.120 199 E HN 0.605 nan 8.360 nan 0.000 0.397 200 F N -1.155 118.890 119.950 0.158 0.000 2.596 200 F HA 0.406 4.933 4.527 0.000 0.000 0.311 200 F C -0.709 175.253 175.800 0.270 0.000 1.116 200 F CA -1.154 56.982 58.000 0.226 0.000 0.957 200 F CB 1.103 40.309 39.000 0.342 0.000 1.250 200 F HN 0.280 nan 8.300 nan 0.000 0.444 201 E N 2.786 123.156 120.200 0.283 0.000 2.283 201 E HA 0.560 4.910 4.350 0.000 0.000 0.278 201 E C -1.520 175.289 176.600 0.349 0.000 1.027 201 E CA -0.753 55.769 56.400 0.204 0.000 0.843 201 E CB 1.695 31.461 29.700 0.110 0.000 1.062 201 E HN 0.678 nan 8.360 nan 0.000 0.401 202 V N 5.711 125.824 119.914 0.332 0.000 2.357 202 V HA 0.434 4.555 4.120 0.000 0.000 0.284 202 V C -0.197 176.069 176.094 0.285 0.000 1.018 202 V CA -0.417 62.094 62.300 0.352 0.000 0.841 202 V CB 1.237 33.246 31.823 0.310 0.000 0.991 202 V HN 0.663 nan 8.190 nan 0.000 0.437 203 K N 3.464 124.041 120.400 0.296 0.000 2.587 203 K HA 0.433 4.753 4.320 0.000 0.000 0.276 203 K C -1.101 175.661 176.600 0.269 0.000 0.956 203 K CA -0.730 55.709 56.287 0.253 0.000 0.857 203 K CB 2.365 34.998 32.500 0.221 0.000 1.431 203 K HN 0.660 nan 8.250 nan 0.000 0.420 204 E N 3.107 123.400 120.200 0.156 0.000 2.129 204 E HA 0.176 4.526 4.350 0.000 0.000 0.283 204 E C -1.034 175.637 176.600 0.119 0.000 1.080 204 E CA -0.183 56.250 56.400 0.056 0.000 0.867 204 E CB 0.291 30.008 29.700 0.028 0.000 1.056 204 E HN 0.419 nan 8.360 nan 0.000 0.404 205 Y N -0.287 120.018 120.300 0.008 0.000 2.728 205 Y HA 0.689 5.239 4.550 0.000 0.000 0.330 205 Y C -1.128 174.765 175.900 -0.011 0.000 1.234 205 Y CA -1.460 56.636 58.100 -0.006 0.000 1.070 205 Y CB 0.852 39.304 38.460 -0.013 0.000 1.300 205 Y HN 0.118 nan 8.280 nan 0.000 0.467 206 V N -0.166 119.881 119.914 0.222 0.000 2.733 206 V HA 0.566 4.686 4.120 0.000 0.000 0.306 206 V C -1.174 175.030 176.094 0.183 0.000 1.084 206 V CA -1.146 61.222 62.300 0.114 0.000 0.905 206 V CB 1.348 33.194 31.823 0.038 0.000 1.010 206 V HN 0.775 nan 8.190 nan 0.000 0.424 207 L N 6.240 127.557 121.223 0.156 0.000 2.500 207 L HA 0.432 4.772 4.340 0.000 0.000 0.272 207 L C -1.662 175.235 176.870 0.044 0.000 1.149 207 L CA -0.276 54.630 54.840 0.109 0.000 0.897 207 L CB -0.686 41.435 42.059 0.103 0.000 1.178 207 L HN 0.598 nan 8.230 nan 0.000 0.473 208 P HA 0.132 nan 4.420 nan 0.000 0.274 208 P C 0.414 177.693 177.300 -0.035 0.000 1.264 208 P CA -0.250 62.785 63.100 -0.108 0.000 0.795 208 P CB 0.511 32.048 31.700 -0.272 0.000 1.064 209 S N -1.440 114.243 115.700 -0.029 0.000 2.502 209 S HA 0.224 4.695 4.470 0.000 0.000 0.215 209 S C 0.299 175.063 174.600 0.274 0.000 1.009 209 S CA -0.192 58.148 58.200 0.233 0.000 0.908 209 S CB -0.632 62.838 63.200 0.449 0.000 0.801 209 S HN 0.483 nan 8.310 nan 0.000 0.505 210 F N 0.954 120.878 119.950 -0.043 0.000 2.664 210 F HA 0.834 5.361 4.527 0.000 0.000 0.317 210 F C -0.883 174.841 175.800 -0.127 0.000 1.108 210 F CA -1.320 56.563 58.000 -0.195 0.000 0.957 210 F CB 0.859 39.513 39.000 -0.577 0.000 1.365 210 F HN 0.138 nan 8.300 nan 0.000 0.475 211 E N 0.557 120.803 120.200 0.076 0.000 2.235 211 E HA 0.748 5.098 4.350 0.000 0.000 0.265 211 E C -1.783 174.883 176.600 0.110 0.000 0.940 211 E CA -1.203 55.208 56.400 0.018 0.000 0.819 211 E CB 2.511 32.222 29.700 0.019 0.000 1.206 211 E HN 0.521 nan 8.360 nan 0.000 0.409 212 V N 2.895 122.839 119.914 0.050 0.000 2.443 212 V HA 0.364 4.485 4.120 0.000 0.000 0.293 212 V C -0.413 175.697 176.094 0.025 0.000 1.021 212 V CA -0.595 61.743 62.300 0.062 0.000 0.848 212 V CB 1.040 32.907 31.823 0.073 0.000 0.998 212 V HN 0.634 nan 8.190 nan 0.000 0.424 213 I N 5.261 125.842 120.570 0.018 0.000 2.441 213 I HA 0.610 4.780 4.170 0.000 0.000 0.295 213 I C -0.419 175.702 176.117 0.007 0.000 0.994 213 I CA -1.076 60.231 61.300 0.011 0.000 1.144 213 I CB 2.182 40.187 38.000 0.008 0.000 1.314 213 I HN 0.480 nan 8.210 nan 0.000 0.445 214 V N 1.790 121.710 119.914 0.010 0.000 2.357 214 V HA 0.525 4.645 4.120 0.000 0.000 0.281 214 V C -0.631 175.475 176.094 0.020 0.000 1.015 214 V CA -0.492 61.814 62.300 0.011 0.000 0.827 214 V CB 0.902 32.728 31.823 0.005 0.000 1.018 214 V HN 0.755 nan 8.190 nan 0.000 0.432 215 E N 5.847 126.058 120.200 0.018 0.000 2.182 215 E HA 0.470 4.820 4.350 0.000 0.000 0.258 215 E C -2.796 173.815 176.600 0.018 0.000 0.879 215 E CA -1.913 54.498 56.400 0.018 0.000 0.754 215 E CB 2.556 32.262 29.700 0.011 0.000 1.162 215 E HN 0.519 nan 8.360 nan 0.000 0.419 216 P HA -0.067 nan 4.420 nan 0.000 0.270 216 P C 1.083 178.371 177.300 -0.020 0.000 1.223 216 P CA -0.044 63.065 63.100 0.016 0.000 0.785 216 P CB 0.595 32.307 31.700 0.020 0.000 0.923 217 T N -2.089 112.445 114.554 -0.034 0.000 2.759 217 T HA -0.097 4.253 4.350 0.000 0.000 0.269 217 T C 0.507 175.139 174.700 -0.114 0.000 1.042 217 T CA 1.258 63.322 62.100 -0.059 0.000 1.140 217 T CB -0.325 68.509 68.868 -0.057 0.000 0.864 217 T HN 0.328 nan 8.240 nan 0.000 0.455 218 E N 0.463 120.552 120.200 -0.186 0.000 2.288 218 E HA 0.395 4.745 4.350 0.000 0.000 0.268 218 E C -0.272 176.166 176.600 -0.270 0.000 0.885 218 E CA -0.661 55.523 56.400 -0.360 0.000 0.767 218 E CB 1.967 31.198 29.700 -0.781 0.000 1.220 218 E HN 0.279 nan 8.360 nan 0.000 0.427 219 K N 1.433 121.737 120.400 -0.160 0.000 2.591 219 K HA 0.111 4.431 4.320 0.000 0.000 0.197 219 K C -0.032 176.687 176.600 0.198 0.000 1.026 219 K CA 0.364 56.683 56.287 0.054 0.000 1.127 219 K CB -0.416 32.165 32.500 0.134 0.000 0.871 219 K HN 0.300 nan 8.250 nan 0.000 0.507 220 F N -3.265 116.718 119.950 0.055 0.000 3.306 220 F HA 0.447 4.974 4.527 0.000 0.000 0.326 220 F C -1.664 174.236 175.800 0.166 0.000 1.169 220 F CA -1.804 56.247 58.000 0.086 0.000 0.883 220 F CB 0.882 39.907 39.000 0.043 0.000 1.505 220 F HN -0.195 nan 8.300 nan 0.000 0.504 221 Y N 0.965 121.459 120.300 0.323 0.000 2.362 221 Y HA 0.481 5.031 4.550 0.000 0.000 0.326 221 Y C -1.927 174.155 175.900 0.304 0.000 1.083 221 Y CA -1.430 56.772 58.100 0.170 0.000 1.073 221 Y CB 1.241 39.727 38.460 0.044 0.000 1.211 221 Y HN 0.756 nan 8.280 nan 0.000 0.433 222 Y N 6.810 126.885 120.300 -0.375 0.000 2.335 222 Y HA 0.287 4.837 4.550 0.000 0.000 0.331 222 Y C 0.529 176.099 175.900 -0.550 0.000 1.094 222 Y CA -0.277 57.667 58.100 -0.259 0.000 1.253 222 Y CB 0.828 39.235 38.460 -0.088 0.000 1.203 222 Y HN 0.758 nan 8.280 nan 0.000 0.508 223 I N 4.531 124.614 120.570 -0.810 0.000 2.127 223 I HA -0.334 3.836 4.170 0.000 0.000 0.241 223 I C 1.203 176.943 176.117 -0.628 0.000 1.075 223 I CA 1.668 62.570 61.300 -0.663 0.000 1.334 223 I CB -0.739 36.763 38.000 -0.829 0.000 1.040 223 I HN 0.673 nan 8.210 nan 0.000 0.405 224 Y N -0.186 119.779 120.300 -0.559 0.000 2.477 224 Y HA 0.106 4.656 4.550 0.000 0.000 0.303 224 Y C 0.885 176.855 175.900 0.117 0.000 1.202 224 Y CA -0.470 57.569 58.100 -0.103 0.000 1.282 224 Y CB -1.028 37.460 38.460 0.046 0.000 1.071 224 Y HN 0.082 nan 8.280 nan 0.000 0.510 225 N N 1.976 120.782 118.700 0.175 0.000 2.421 225 N HA -0.029 4.711 4.740 0.000 0.000 0.260 225 N C 0.626 176.163 175.510 0.045 0.000 1.173 225 N CA 0.279 53.394 53.050 0.109 0.000 0.960 225 N CB 0.317 38.753 38.487 -0.084 0.000 1.273 225 N HN 0.399 nan 8.380 nan 0.000 0.497 226 E N 2.405 122.650 120.200 0.075 0.000 2.204 226 E HA -0.172 4.179 4.350 0.000 0.000 0.195 226 E C 0.981 177.608 176.600 0.045 0.000 0.990 226 E CA 0.954 57.390 56.400 0.060 0.000 0.821 226 E CB 0.210 29.942 29.700 0.055 0.000 0.750 226 E HN 0.619 nan 8.360 nan 0.000 0.477 227 K N 0.342 120.762 120.400 0.034 0.000 2.152 227 K HA -0.059 4.261 4.320 0.000 0.000 0.206 227 K C 1.129 177.754 176.600 0.040 0.000 1.048 227 K CA 0.672 56.973 56.287 0.024 0.000 0.933 227 K CB -0.138 32.366 32.500 0.007 0.000 0.721 227 K HN 0.213 nan 8.250 nan 0.000 0.447 228 G N 0.995 109.850 108.800 0.092 0.000 2.587 228 G HA2 -0.223 3.737 3.960 0.000 0.000 0.212 228 G HA3 -0.223 3.737 3.960 0.000 0.000 0.212 228 G C -1.507 173.542 174.900 0.248 0.000 1.327 228 G CA -0.490 44.717 45.100 0.178 0.000 0.898 228 G HN 0.130 nan 8.290 nan 0.000 0.551 229 L N 1.348 122.624 121.223 0.088 0.000 2.277 229 L HA 0.655 4.995 4.340 0.000 0.000 0.284 229 L C 0.279 177.124 176.870 -0.041 0.000 1.028 229 L CA -0.559 54.296 54.840 0.026 0.000 0.835 229 L CB 0.669 42.609 42.059 -0.199 0.000 1.215 229 L HN 0.568 nan 8.230 nan 0.000 0.425 230 E N 4.092 124.299 120.200 0.012 0.000 2.229 230 E HA 0.441 4.792 4.350 0.000 0.000 0.283 230 E C -1.028 175.602 176.600 0.051 0.000 1.030 230 E CA -0.527 55.888 56.400 0.026 0.000 0.836 230 E CB 1.901 31.607 29.700 0.010 0.000 1.068 230 E HN 0.385 nan 8.360 nan 0.000 0.401 231 V N 3.199 123.172 119.914 0.098 0.000 2.540 231 V HA 0.233 4.354 4.120 0.000 0.000 0.302 231 V C 0.062 176.190 176.094 0.056 0.000 1.035 231 V CA -0.772 61.587 62.300 0.098 0.000 0.873 231 V CB 2.094 34.023 31.823 0.177 0.000 0.992 231 V HN 0.679 nan 8.190 nan 0.000 0.428 232 T N 6.020 120.592 114.554 0.029 0.000 2.845 232 T HA 0.512 4.863 4.350 0.000 0.000 0.288 232 T C -0.178 174.523 174.700 0.003 0.000 0.980 232 T CA -0.178 61.929 62.100 0.011 0.000 1.071 232 T CB 0.616 69.486 68.868 0.004 0.000 0.941 232 T HN 0.324 nan 8.240 nan 0.000 0.487 233 I N 4.029 124.594 120.570 -0.009 0.000 2.412 233 I HA 0.227 4.397 4.170 0.000 0.000 0.279 233 I C 0.407 176.508 176.117 -0.025 0.000 1.063 233 I CA -0.472 60.816 61.300 -0.020 0.000 1.193 233 I CB 0.221 38.200 38.000 -0.035 0.000 1.370 233 I HN 0.535 nan 8.210 nan 0.000 0.479 234 T N 5.299 119.842 114.554 -0.018 0.000 2.744 234 T HA 0.702 5.052 4.350 0.000 0.000 0.291 234 T C 0.204 174.890 174.700 -0.024 0.000 0.957 234 T CA -0.460 61.627 62.100 -0.023 0.000 1.002 234 T CB 1.478 70.339 68.868 -0.013 0.000 0.919 234 T HN 0.660 nan 8.240 nan 0.000 0.468 235 A N 4.619 127.407 122.820 -0.054 0.000 2.375 235 A HA 0.785 5.105 4.320 0.000 0.000 0.295 235 A C -0.204 177.295 177.584 -0.143 0.000 1.066 235 A CA -1.119 50.876 52.037 -0.070 0.000 0.722 235 A CB 1.092 20.030 19.000 -0.102 0.000 1.206 235 A HN 0.910 nan 8.150 nan 0.000 0.435 236 R N 1.335 121.773 120.500 -0.105 0.000 2.771 236 R HA 0.772 5.112 4.340 0.000 0.000 0.274 236 R C -1.342 174.876 176.300 -0.137 0.000 0.987 236 R CA -0.751 55.269 56.100 -0.133 0.000 0.908 236 R CB 0.850 31.128 30.300 -0.036 0.000 1.213 236 R HN 0.320 nan 8.270 nan 0.000 0.468 237 F N 1.035 120.874 119.950 -0.184 0.000 2.532 237 F HA 0.059 4.586 4.527 0.000 0.000 0.323 237 F C 1.785 177.389 175.800 -0.326 0.000 1.234 237 F CA -0.141 57.658 58.000 -0.335 0.000 1.323 237 F CB 0.408 38.813 39.000 -0.992 0.000 1.183 237 F HN 0.390 nan 8.300 nan 0.000 0.589 238 L N 0.818 122.013 121.223 -0.046 0.000 2.465 238 L HA -0.173 4.168 4.340 0.000 0.000 0.224 238 L C 0.839 177.763 176.870 0.090 0.000 1.145 238 L CA 0.705 55.577 54.840 0.053 0.000 0.834 238 L CB -0.678 41.471 42.059 0.149 0.000 0.944 238 L HN 0.688 nan 8.230 nan 0.000 0.451 239 Y N -2.950 117.458 120.300 0.181 0.000 2.607 239 Y HA 0.627 5.177 4.550 0.000 0.000 0.266 239 Y C 1.407 177.366 175.900 0.099 0.000 1.178 239 Y CA -0.137 58.029 58.100 0.109 0.000 1.226 239 Y CB -0.128 38.372 38.460 0.067 0.000 1.144 239 Y HN 0.016 nan 8.280 nan 0.000 0.528 240 G N 0.129 108.952 108.800 0.038 0.000 2.399 240 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 240 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 240 G C 0.394 175.331 174.900 0.062 0.000 1.096 240 G CA -0.316 44.823 45.100 0.065 0.000 0.650 240 G HN 0.133 nan 8.290 nan 0.000 0.512 241 K N 1.866 122.320 120.400 0.091 0.000 2.455 241 K HA 0.265 4.585 4.320 0.000 0.000 0.269 241 K C 0.839 177.559 176.600 0.201 0.000 0.972 241 K CA 0.414 56.789 56.287 0.147 0.000 0.938 241 K CB 0.364 32.983 32.500 0.199 0.000 0.931 241 K HN 0.589 nan 8.250 nan 0.000 0.507 242 K N 0.345 120.852 120.400 0.179 0.000 2.090 242 K HA 0.327 4.647 4.320 0.000 0.000 0.250 242 K C -0.216 176.465 176.600 0.135 0.000 1.004 242 K CA -0.782 55.566 56.287 0.102 0.000 0.919 242 K CB 0.864 33.393 32.500 0.049 0.000 1.045 242 K HN 0.121 nan 8.250 nan 0.000 0.471 243 V N 2.179 122.016 119.914 -0.128 0.000 2.435 243 V HA 0.146 4.266 4.120 0.000 0.000 0.290 243 V C -0.421 175.567 176.094 -0.177 0.000 1.030 243 V CA -0.658 61.433 62.300 -0.348 0.000 0.881 243 V CB 1.505 32.819 31.823 -0.848 0.000 0.983 243 V HN 0.626 nan 8.190 nan 0.000 0.445 244 E N 3.644 123.804 120.200 -0.065 0.000 2.114 244 E HA 0.694 5.044 4.350 0.000 0.000 0.266 244 E C 0.233 176.805 176.600 -0.047 0.000 0.896 244 E CA 0.001 56.439 56.400 0.064 0.000 0.750 244 E CB 1.989 31.812 29.700 0.205 0.000 1.121 244 E HN 0.924 nan 8.360 nan 0.000 0.413 245 G N 1.552 110.198 108.800 -0.256 0.000 2.510 245 G HA2 0.374 4.334 3.960 0.000 0.000 0.277 245 G HA3 0.374 4.334 3.960 0.000 0.000 0.277 245 G C -0.984 173.659 174.900 -0.428 0.000 1.223 245 G CA -0.407 44.287 45.100 -0.676 0.000 0.887 245 G HN 0.271 nan 8.290 nan 0.000 0.485 246 T N 0.040 114.381 114.554 -0.356 0.000 2.907 246 T HA 0.774 5.124 4.350 0.000 0.000 0.292 246 T C -0.258 174.247 174.700 -0.324 0.000 1.043 246 T CA 0.267 62.180 62.100 -0.313 0.000 1.003 246 T CB 1.695 70.365 68.868 -0.329 0.000 1.084 246 T HN 1.328 nan 8.240 nan 0.000 0.483 247 A N 1.644 124.220 122.820 -0.407 0.000 2.355 247 A HA 0.871 5.191 4.320 0.000 0.000 0.324 247 A C -1.425 175.830 177.584 -0.547 0.000 1.117 247 A CA -0.705 51.145 52.037 -0.312 0.000 0.785 247 A CB 0.702 19.603 19.000 -0.165 0.000 1.254 247 A HN 0.738 nan 8.150 nan 0.000 0.453 248 F N 1.687 121.608 119.950 -0.048 0.000 2.430 248 F HA 0.473 5.001 4.527 0.000 0.000 0.362 248 F C 0.062 175.811 175.800 -0.085 0.000 1.103 248 F CA -0.593 57.375 58.000 -0.053 0.000 1.045 248 F CB 1.935 40.913 39.000 -0.038 0.000 1.276 248 F HN 0.391 nan 8.300 nan 0.000 0.444 249 V N 5.963 125.872 119.914 -0.009 0.000 2.547 249 V HA 0.699 4.819 4.120 0.000 0.000 0.299 249 V C -0.941 175.020 176.094 -0.221 0.000 1.040 249 V CA -0.673 61.533 62.300 -0.156 0.000 0.913 249 V CB 1.872 33.548 31.823 -0.245 0.000 0.992 249 V HN 0.698 nan 8.190 nan 0.000 0.449 250 I N 5.317 125.682 120.570 -0.341 0.000 2.722 250 I HA 0.562 4.732 4.170 0.000 0.000 0.295 250 I C -1.428 174.397 176.117 -0.487 0.000 1.161 250 I CA -0.595 60.528 61.300 -0.296 0.000 1.032 250 I CB 2.085 40.035 38.000 -0.084 0.000 1.244 250 I HN 0.654 nan 8.210 nan 0.000 0.421 251 F N 4.061 123.924 119.950 -0.146 0.000 2.535 251 F HA 0.935 5.462 4.527 0.000 0.000 0.367 251 F C 0.854 176.363 175.800 -0.484 0.000 1.096 251 F CA -0.377 57.443 58.000 -0.301 0.000 1.088 251 F CB 1.666 40.518 39.000 -0.247 0.000 1.387 251 F HN 0.468 nan 8.300 nan 0.000 0.494 252 G N -0.030 108.441 108.800 -0.549 0.000 2.442 252 G HA2 0.469 4.429 3.960 0.000 0.000 0.296 252 G HA3 0.469 4.429 3.960 0.000 0.000 0.296 252 G C -2.018 172.557 174.900 -0.541 0.000 1.564 252 G CA -0.901 43.788 45.100 -0.684 0.000 0.828 252 G HN 0.518 nan 8.290 nan 0.000 0.571 253 I N 0.624 121.136 120.570 -0.096 0.000 2.385 253 I HA 0.400 4.571 4.170 0.000 0.000 0.294 253 I C 0.239 176.492 176.117 0.227 0.000 0.988 253 I CA -0.595 60.728 61.300 0.039 0.000 1.265 253 I CB 2.024 40.024 38.000 0.000 0.000 1.388 253 I HN 0.472 nan 8.210 nan 0.000 0.480 254 Q N 5.260 125.194 119.800 0.223 0.000 2.394 254 Q HA 0.195 4.535 4.340 0.000 0.000 0.259 254 Q C -0.858 175.198 176.000 0.093 0.000 1.021 254 Q CA -0.615 55.299 55.803 0.184 0.000 0.805 254 Q CB 1.312 30.163 28.738 0.188 0.000 1.226 254 Q HN 0.591 nan 8.270 nan 0.000 0.476 255 D N 2.228 122.668 120.400 0.067 0.000 2.376 255 D HA 0.224 4.864 4.640 0.000 0.000 0.268 255 D C -0.010 176.310 176.300 0.032 0.000 1.252 255 D CA -0.018 54.007 54.000 0.042 0.000 1.041 255 D CB 0.577 41.397 40.800 0.033 0.000 1.109 255 D HN 0.657 nan 8.370 nan 0.000 0.552 256 G N 0.571 109.386 108.800 0.024 0.000 2.428 256 G HA2 0.164 4.124 3.960 0.000 0.000 0.290 256 G HA3 0.164 4.124 3.960 0.000 0.000 0.290 256 G C -0.146 174.761 174.900 0.011 0.000 0.996 256 G CA 0.108 45.219 45.100 0.019 0.000 1.406 256 G HN 0.574 nan 8.290 nan 0.000 0.445 257 E N -0.706 119.498 120.200 0.007 0.000 2.440 257 E HA -0.224 4.126 4.350 0.000 0.000 0.246 257 E C 0.290 176.884 176.600 -0.008 0.000 1.165 257 E CA 1.518 57.915 56.400 -0.005 0.000 0.726 257 E CB -1.280 28.417 29.700 -0.005 0.000 1.271 257 E HN 0.851 nan 8.360 nan 0.000 0.397 258 Q N -0.317 119.481 119.800 -0.002 0.000 2.377 258 Q HA 0.542 4.882 4.340 0.000 0.000 0.279 258 Q C -1.199 174.809 176.000 0.013 0.000 1.049 258 Q CA -0.884 54.920 55.803 0.001 0.000 0.825 258 Q CB 1.387 30.132 28.738 0.012 0.000 1.401 258 Q HN 0.139 nan 8.270 nan 0.000 0.404 259 R N 3.053 123.558 120.500 0.009 0.000 2.476 259 R HA 0.505 4.845 4.340 0.000 0.000 0.305 259 R C -0.816 175.549 176.300 0.108 0.000 0.965 259 R CA -0.755 55.378 56.100 0.055 0.000 0.867 259 R CB 1.348 31.589 30.300 -0.099 0.000 1.176 259 R HN 0.504 nan 8.270 nan 0.000 0.447 260 I N 2.444 123.113 120.570 0.165 0.000 2.388 260 I HA 0.122 4.292 4.170 0.000 0.000 0.281 260 I C 0.714 176.916 176.117 0.141 0.000 1.046 260 I CA -0.279 61.091 61.300 0.117 0.000 1.187 260 I CB 0.826 38.868 38.000 0.069 0.000 1.351 260 I HN 0.522 nan 8.210 nan 0.000 0.472 261 S N 6.555 122.348 115.700 0.154 0.000 2.566 261 S HA 0.320 4.790 4.470 0.000 0.000 0.280 261 S C 0.042 174.672 174.600 0.050 0.000 1.343 261 S CA -0.056 58.224 58.200 0.134 0.000 1.036 261 S CB 0.392 63.668 63.200 0.127 0.000 0.866 261 S HN 0.466 nan 8.310 nan 0.000 0.526 262 L N 6.183 127.415 121.223 0.016 0.000 2.387 262 L HA 0.318 4.658 4.340 0.000 0.000 0.259 262 L C -1.837 175.049 176.870 0.027 0.000 1.050 262 L CA -1.759 53.087 54.840 0.010 0.000 0.922 262 L CB 1.329 43.383 42.059 -0.010 0.000 1.280 262 L HN 0.523 nan 8.230 nan 0.000 0.449 263 P HA -0.192 nan 4.420 nan 0.000 0.219 263 P C 1.297 178.616 177.300 0.032 0.000 1.146 263 P CA 1.012 64.129 63.100 0.029 0.000 0.808 263 P CB 0.389 32.103 31.700 0.023 0.000 0.779 264 E N 0.194 120.411 120.200 0.028 0.000 2.208 264 E HA -0.080 4.270 4.350 0.000 0.000 0.193 264 E C 0.524 177.151 176.600 0.044 0.000 0.988 264 E CA 0.691 57.107 56.400 0.027 0.000 0.828 264 E CB -0.127 29.581 29.700 0.013 0.000 0.763 264 E HN 0.188 nan 8.360 nan 0.000 0.478 265 S N 1.052 116.793 115.700 0.068 0.000 3.149 265 S HA 0.229 4.699 4.470 0.000 0.000 0.228 265 S C -0.259 174.440 174.600 0.165 0.000 1.393 265 S CA -0.673 57.613 58.200 0.144 0.000 1.224 265 S CB 0.070 63.401 63.200 0.218 0.000 1.112 265 S HN 0.153 nan 8.310 nan 0.000 0.502 266 L N 1.803 123.083 121.223 0.095 0.000 2.313 266 L HA 0.713 5.054 4.340 0.000 0.000 0.283 266 L C -0.834 176.078 176.870 0.069 0.000 1.013 266 L CA -0.073 54.809 54.840 0.069 0.000 0.816 266 L CB 1.148 43.243 42.059 0.060 0.000 1.236 266 L HN 0.135 nan 8.230 nan 0.000 0.419 267 K N 4.215 124.646 120.400 0.052 0.000 2.444 267 K HA 0.523 4.843 4.320 0.000 0.000 0.252 267 K C -1.082 175.509 176.600 -0.016 0.000 0.993 267 K CA -0.720 55.585 56.287 0.030 0.000 0.847 267 K CB 2.312 34.837 32.500 0.041 0.000 1.340 267 K HN 0.561 nan 8.250 nan 0.000 0.446 268 R N 2.356 122.818 120.500 -0.063 0.000 2.547 268 R HA 0.312 4.652 4.340 0.000 0.000 0.280 268 R C -0.420 175.769 176.300 -0.185 0.000 1.630 268 R CA -0.290 55.692 56.100 -0.197 0.000 1.470 268 R CB -0.087 30.110 30.300 -0.170 0.000 1.178 268 R HN 0.697 nan 8.270 nan 0.000 0.591 269 I N 0.529 120.991 120.570 -0.180 0.000 2.342 269 I HA 0.564 4.734 4.170 0.000 0.000 0.291 269 I C -2.420 173.603 176.117 -0.158 0.000 1.010 269 I CA -2.802 58.421 61.300 -0.128 0.000 1.308 269 I CB 1.230 39.182 38.000 -0.081 0.000 1.400 269 I HN 0.220 nan 8.210 nan 0.000 0.488 270 P HA 0.176 nan 4.420 nan 0.000 0.271 270 P C -0.576 176.675 177.300 -0.082 0.000 1.216 270 P CA -0.085 62.957 63.100 -0.096 0.000 0.771 270 P CB 0.536 32.211 31.700 -0.042 0.000 0.864 271 I N 3.600 124.112 120.570 -0.096 0.000 2.276 271 I HA 0.210 4.381 4.170 0.000 0.000 0.290 271 I C 0.708 176.802 176.117 -0.038 0.000 1.109 271 I CA -0.073 61.175 61.300 -0.086 0.000 1.229 271 I CB -0.624 37.293 38.000 -0.138 0.000 1.452 271 I HN 0.309 nan 8.210 nan 0.000 0.497 272 E N 4.285 124.473 120.200 -0.018 0.000 2.204 272 E HA 0.170 4.520 4.350 0.000 0.000 0.276 272 E C -0.033 176.564 176.600 -0.006 0.000 0.974 272 E CA -0.530 55.873 56.400 0.004 0.000 0.815 272 E CB 1.319 31.022 29.700 0.005 0.000 1.119 272 E HN 0.357 nan 8.360 nan 0.000 0.393 273 D N 1.904 122.307 120.400 0.004 0.000 2.870 273 D HA -0.174 4.466 4.640 0.000 0.000 0.228 273 D C 0.447 176.741 176.300 -0.008 0.000 1.147 273 D CA 1.537 55.539 54.000 0.003 0.000 0.757 273 D CB -1.218 39.582 40.800 0.001 0.000 1.091 273 D HN 0.937 nan 8.370 nan 0.000 0.429 274 G N -1.055 107.728 108.800 -0.028 0.000 2.246 274 G HA2 -0.077 3.883 3.960 0.000 0.000 0.273 274 G HA3 -0.077 3.883 3.960 0.000 0.000 0.273 274 G C 0.053 174.920 174.900 -0.055 0.000 1.055 274 G CA 1.295 46.360 45.100 -0.058 0.000 0.851 274 G HN 1.323 nan 8.290 nan 0.000 0.500 275 S N -2.003 113.666 115.700 -0.052 0.000 2.578 275 S HA 0.850 5.320 4.470 0.000 0.000 0.272 275 S C 0.006 174.581 174.600 -0.043 0.000 1.145 275 S CA 0.615 58.790 58.200 -0.042 0.000 0.835 275 S CB 1.323 64.507 63.200 -0.026 0.000 1.104 275 S HN 1.887 nan 8.310 nan 0.000 0.458 276 G N 0.770 109.547 108.800 -0.039 0.000 2.788 276 G HA2 0.691 4.651 3.960 0.000 0.000 0.293 276 G HA3 0.691 4.651 3.960 0.000 0.000 0.293 276 G C -1.880 173.006 174.900 -0.023 0.000 1.392 276 G CA -0.481 44.597 45.100 -0.038 0.000 0.810 276 G HN 0.675 nan 8.290 nan 0.000 0.508 277 E N -1.048 119.141 120.200 -0.018 0.000 2.307 277 E HA 0.527 4.877 4.350 0.000 0.000 0.280 277 E C -1.793 174.814 176.600 0.012 0.000 0.900 277 E CA -0.570 55.830 56.400 -0.000 0.000 0.790 277 E CB 2.055 31.755 29.700 -0.001 0.000 1.261 277 E HN 0.757 nan 8.360 nan 0.000 0.405 278 V N 4.756 124.695 119.914 0.041 0.000 2.789 278 V HA 0.789 4.909 4.120 0.000 0.000 0.311 278 V C -1.475 174.692 176.094 0.121 0.000 1.073 278 V CA -0.574 61.775 62.300 0.082 0.000 0.921 278 V CB 2.034 33.917 31.823 0.100 0.000 1.009 278 V HN 0.559 nan 8.190 nan 0.000 0.426 279 V N 6.777 126.751 119.914 0.099 0.000 2.588 279 V HA 0.473 4.593 4.120 0.000 0.000 0.304 279 V C -0.545 175.531 176.094 -0.031 0.000 1.042 279 V CA -0.683 61.640 62.300 0.037 0.000 0.877 279 V CB 1.639 33.467 31.823 0.010 0.000 0.996 279 V HN 0.783 nan 8.190 nan 0.000 0.425 280 L N 5.899 126.977 121.223 -0.240 0.000 2.282 280 L HA 0.488 4.829 4.340 0.000 0.000 0.287 280 L C 0.774 177.485 176.870 -0.265 0.000 1.075 280 L CA 0.162 54.706 54.840 -0.492 0.000 0.839 280 L CB 0.915 42.214 42.059 -1.267 0.000 1.219 280 L HN 0.828 nan 8.230 nan 0.000 0.434 281 S N 3.757 119.367 115.700 -0.150 0.000 2.552 281 S HA 0.058 4.528 4.470 0.000 0.000 0.289 281 S C 1.248 175.797 174.600 -0.085 0.000 1.304 281 S CA -0.095 58.057 58.200 -0.080 0.000 1.063 281 S CB 0.469 63.642 63.200 -0.045 0.000 0.848 281 S HN 0.830 nan 8.310 nan 0.000 0.499 282 R N 1.321 121.807 120.500 -0.023 0.000 2.193 282 R HA -0.128 4.212 4.340 0.000 0.000 0.229 282 R C 1.960 178.247 176.300 -0.021 0.000 1.110 282 R CA 1.431 57.535 56.100 0.007 0.000 0.988 282 R CB -0.218 30.120 30.300 0.064 0.000 0.871 282 R HN 0.718 nan 8.270 nan 0.000 0.458 283 K N 0.190 120.576 120.400 -0.023 0.000 2.002 283 K HA -0.080 4.240 4.320 0.000 0.000 0.209 283 K C 1.747 178.326 176.600 -0.036 0.000 1.048 283 K CA 1.842 58.116 56.287 -0.021 0.000 0.930 283 K CB -0.458 32.035 32.500 -0.013 0.000 0.714 283 K HN 0.042 nan 8.250 nan 0.000 0.438 284 V N 1.260 121.144 119.914 -0.050 0.000 2.407 284 V HA -0.203 3.917 4.120 0.000 0.000 0.248 284 V C 2.301 178.349 176.094 -0.077 0.000 1.055 284 V CA 1.634 63.901 62.300 -0.055 0.000 1.049 284 V CB -0.591 31.198 31.823 -0.057 0.000 0.662 284 V HN 0.344 nan 8.190 nan 0.000 0.455 285 L N -0.179 120.975 121.223 -0.115 0.000 2.042 285 L HA -0.159 4.181 4.340 0.000 0.000 0.210 285 L C 2.155 178.970 176.870 -0.091 0.000 1.076 285 L CA 1.985 56.740 54.840 -0.143 0.000 0.749 285 L CB -0.520 41.416 42.059 -0.205 0.000 0.893 285 L HN 0.224 nan 8.230 nan 0.000 0.432 286 L N -0.990 120.196 121.223 -0.063 0.000 2.217 286 L HA -0.120 4.220 4.340 0.000 0.000 0.211 286 L C 1.962 178.812 176.870 -0.034 0.000 1.107 286 L CA 0.729 55.543 54.840 -0.044 0.000 0.783 286 L CB -0.730 41.310 42.059 -0.031 0.000 0.919 286 L HN 0.237 nan 8.230 nan 0.000 0.442 287 D N 0.284 120.665 120.400 -0.032 0.000 2.224 287 D HA -0.094 4.546 4.640 0.000 0.000 0.205 287 D C 2.104 178.392 176.300 -0.021 0.000 0.965 287 D CA 1.176 55.163 54.000 -0.022 0.000 0.852 287 D CB -0.224 40.565 40.800 -0.018 0.000 0.947 287 D HN 0.285 nan 8.370 nan 0.000 0.494 288 G N 1.230 110.012 108.800 -0.031 0.000 2.511 288 G HA2 -0.154 3.806 3.960 0.000 0.000 0.216 288 G HA3 -0.154 3.806 3.960 0.000 0.000 0.216 288 G C 0.890 175.780 174.900 -0.017 0.000 1.218 288 G CA 1.341 46.426 45.100 -0.025 0.000 0.788 288 G HN 0.313 nan 8.290 nan 0.000 0.560 289 V N -1.893 118.008 119.914 -0.022 0.000 3.051 289 V HA 0.355 4.475 4.120 0.000 0.000 0.306 289 V C 0.555 176.643 176.094 -0.011 0.000 1.083 289 V CA -0.466 61.826 62.300 -0.014 0.000 1.104 289 V CB 1.460 33.272 31.823 -0.018 0.000 1.027 289 V HN 0.268 nan 8.190 nan 0.000 0.483 290 Q N 1.454 121.250 119.800 -0.006 0.000 2.228 290 Q HA 0.256 4.596 4.340 0.000 0.000 0.211 290 Q C -0.124 175.872 176.000 -0.005 0.000 0.890 290 Q CA 0.105 55.905 55.803 -0.005 0.000 0.953 290 Q CB -0.360 28.377 28.738 -0.001 0.000 1.053 290 Q HN 0.834 nan 8.270 nan 0.000 0.471 291 N N 1.350 120.045 118.700 -0.009 0.000 2.476 291 N HA 0.204 4.944 4.740 0.000 0.000 0.257 291 N C -1.971 173.532 175.510 -0.012 0.000 0.970 291 N CA -1.853 51.192 53.050 -0.009 0.000 0.938 291 N CB 1.810 40.291 38.487 -0.010 0.000 1.144 291 N HN -0.178 nan 8.380 nan 0.000 0.500 292 P HA -0.102 nan 4.420 nan 0.000 0.215 292 P C 0.064 177.357 177.300 -0.011 0.000 1.157 292 P CA 0.967 64.063 63.100 -0.007 0.000 0.868 292 P CB 0.255 31.954 31.700 -0.002 0.000 0.788 293 R N -0.089 120.405 120.500 -0.010 0.000 2.489 293 R HA 0.282 4.622 4.340 0.000 0.000 0.287 293 R C 1.002 177.280 176.300 -0.036 0.000 1.053 293 R CA 0.239 56.330 56.100 -0.015 0.000 1.036 293 R CB 0.308 30.604 30.300 -0.007 0.000 0.966 293 R HN 0.028 nan 8.270 nan 0.000 0.432 294 A N 3.782 126.565 122.820 -0.061 0.000 2.132 294 A HA -0.007 4.313 4.320 0.000 0.000 0.213 294 A C 1.256 178.753 177.584 -0.145 0.000 1.154 294 A CA 0.479 52.449 52.037 -0.113 0.000 0.753 294 A CB 0.090 18.989 19.000 -0.168 0.000 0.826 294 A HN 0.825 nan 8.150 nan 0.000 0.469 295 E N 0.754 120.889 120.200 -0.108 0.000 2.478 295 E HA -0.058 4.293 4.350 0.000 0.000 0.198 295 E C 0.698 177.267 176.600 -0.052 0.000 1.046 295 E CA 0.622 56.969 56.400 -0.088 0.000 0.870 295 E CB -0.042 29.645 29.700 -0.021 0.000 0.818 295 E HN 0.515 nan 8.360 nan 0.000 0.527 296 D N -0.406 119.968 120.400 -0.044 0.000 2.323 296 D HA 0.009 4.649 4.640 0.000 0.000 0.209 296 D C 1.378 177.662 176.300 -0.026 0.000 0.973 296 D CA 0.388 54.373 54.000 -0.026 0.000 0.874 296 D CB 0.306 41.095 40.800 -0.018 0.000 0.930 296 D HN 0.263 nan 8.370 nan 0.000 0.521 297 L N 0.791 121.989 121.223 -0.042 0.000 2.554 297 L HA 0.041 4.381 4.340 0.000 0.000 0.226 297 L C 0.569 177.426 176.870 -0.021 0.000 1.137 297 L CA 0.026 54.847 54.840 -0.032 0.000 0.863 297 L CB 0.209 42.242 42.059 -0.043 0.000 0.985 297 L HN -0.233 nan 8.230 nan 0.000 0.451 298 V N 1.404 121.297 119.914 -0.034 0.000 2.425 298 V HA 0.245 4.365 4.120 0.000 0.000 0.276 298 V C 1.206 177.302 176.094 0.004 0.000 1.017 298 V CA 1.173 63.460 62.300 -0.021 0.000 1.062 298 V CB 0.072 31.875 31.823 -0.033 0.000 0.997 298 V HN 0.626 nan 8.190 nan 0.000 0.476 299 G N 4.537 113.350 108.800 0.021 0.000 2.481 299 G HA2 -0.159 3.801 3.960 0.000 0.000 0.200 299 G HA3 -0.159 3.801 3.960 0.000 0.000 0.200 299 G C 0.412 175.335 174.900 0.038 0.000 1.012 299 G CA -0.166 44.952 45.100 0.030 0.000 0.676 299 G HN 0.559 nan 8.290 nan 0.000 0.488 300 K N 0.882 121.302 120.400 0.033 0.000 2.332 300 K HA 0.616 4.936 4.320 0.000 0.000 0.246 300 K C 0.641 177.273 176.600 0.054 0.000 1.066 300 K CA 0.488 56.799 56.287 0.040 0.000 0.898 300 K CB 0.610 33.127 32.500 0.027 0.000 1.192 300 K HN 0.619 nan 8.250 nan 0.000 0.509 301 S N -0.765 114.972 115.700 0.062 0.000 2.651 301 S HA 0.623 5.093 4.470 0.000 0.000 0.279 301 S C -1.001 173.644 174.600 0.075 0.000 1.148 301 S CA -1.097 57.150 58.200 0.077 0.000 0.837 301 S CB 0.917 64.175 63.200 0.097 0.000 1.138 301 S HN 0.377 nan 8.310 nan 0.000 0.478 302 L N 1.232 122.495 121.223 0.068 0.000 2.341 302 L HA 0.708 5.048 4.340 0.000 0.000 0.267 302 L C -1.429 175.523 176.870 0.137 0.000 1.009 302 L CA -1.119 53.737 54.840 0.026 0.000 0.819 302 L CB 1.912 43.916 42.059 -0.091 0.000 1.323 302 L HN 0.950 nan 8.230 nan 0.000 0.425 303 Y N -0.277 120.063 120.300 0.067 0.000 2.442 303 Y HA 0.782 5.332 4.550 0.000 0.000 0.344 303 Y C -1.143 174.791 175.900 0.058 0.000 0.976 303 Y CA -1.278 56.855 58.100 0.056 0.000 1.040 303 Y CB 1.225 39.701 38.460 0.027 0.000 1.228 303 Y HN 0.137 nan 8.280 nan 0.000 0.451 304 V N 2.871 122.851 119.914 0.111 0.000 2.483 304 V HA 0.540 4.660 4.120 0.000 0.000 0.295 304 V C -0.360 175.719 176.094 -0.026 0.000 1.035 304 V CA -0.593 61.657 62.300 -0.083 0.000 0.896 304 V CB 1.610 33.379 31.823 -0.090 0.000 0.986 304 V HN 0.860 nan 8.190 nan 0.000 0.447 305 S N 3.649 119.280 115.700 -0.116 0.000 2.542 305 S HA 0.738 5.209 4.470 0.000 0.000 0.245 305 S C -0.171 174.383 174.600 -0.078 0.000 1.325 305 S CA -0.167 58.013 58.200 -0.034 0.000 1.176 305 S CB 0.455 63.680 63.200 0.041 0.000 1.045 305 S HN 1.065 nan 8.310 nan 0.000 0.481 306 A N 3.200 125.987 122.820 -0.055 0.000 2.269 306 A HA 0.886 5.206 4.320 0.000 0.000 0.319 306 A C -0.116 177.487 177.584 0.030 0.000 1.110 306 A CA -0.575 51.444 52.037 -0.031 0.000 0.847 306 A CB 1.062 20.037 19.000 -0.043 0.000 1.161 306 A HN 0.641 nan 8.150 nan 0.000 0.497 307 T N 0.758 115.364 114.554 0.086 0.000 3.335 307 T HA 0.398 4.749 4.350 0.000 0.000 0.321 307 T C -1.036 173.783 174.700 0.198 0.000 0.960 307 T CA -0.320 61.863 62.100 0.139 0.000 1.034 307 T CB 0.922 69.881 68.868 0.152 0.000 1.040 307 T HN 0.501 nan 8.240 nan 0.000 0.454 308 V N 5.060 125.079 119.914 0.176 0.000 2.439 308 V HA 0.588 4.708 4.120 0.000 0.000 0.282 308 V C -0.086 176.152 176.094 0.240 0.000 1.039 308 V CA -0.612 61.785 62.300 0.162 0.000 0.913 308 V CB 1.281 33.200 31.823 0.160 0.000 0.983 308 V HN 0.764 nan 8.190 nan 0.000 0.460 309 I N 5.222 125.865 120.570 0.123 0.000 2.499 309 I HA 0.378 4.548 4.170 0.000 0.000 0.288 309 I C -0.134 175.950 176.117 -0.056 0.000 1.048 309 I CA -0.522 60.853 61.300 0.125 0.000 1.062 309 I CB 1.896 40.008 38.000 0.187 0.000 1.238 309 I HN 0.414 nan 8.210 nan 0.000 0.426 310 L N 4.547 125.752 121.223 -0.029 0.000 2.473 310 L HA 0.052 4.393 4.340 0.000 0.000 0.265 310 L C 1.120 177.923 176.870 -0.112 0.000 1.243 310 L CA 0.079 54.852 54.840 -0.111 0.000 0.822 310 L CB 0.108 42.194 42.059 0.046 0.000 1.101 310 L HN 0.636 nan 8.230 nan 0.000 0.507 311 H N -1.221 117.868 119.070 0.032 0.000 2.547 311 H HA -0.069 4.487 4.556 0.000 0.000 0.272 311 H C 1.980 177.340 175.328 0.054 0.000 0.989 311 H CA 0.995 57.066 56.048 0.038 0.000 1.214 311 H CB 0.226 30.003 29.762 0.025 0.000 1.389 311 H HN 0.669 nan 8.280 nan 0.000 0.577 312 S N -0.958 114.839 115.700 0.162 0.000 2.503 312 S HA 0.104 4.574 4.470 0.000 0.000 0.217 312 S C 1.794 176.457 174.600 0.105 0.000 0.999 312 S CA 0.221 58.498 58.200 0.128 0.000 0.914 312 S CB 0.073 63.351 63.200 0.129 0.000 0.782 312 S HN 0.537 nan 8.310 nan 0.000 0.520 313 G N 0.897 109.758 108.800 0.101 0.000 2.295 313 G HA2 -0.244 3.716 3.960 0.000 0.000 0.287 313 G HA3 -0.244 3.716 3.960 0.000 0.000 0.287 313 G C 0.503 175.458 174.900 0.092 0.000 1.055 313 G CA 0.463 45.617 45.100 0.090 0.000 0.922 313 G HN 0.590 nan 8.290 nan 0.000 0.503 314 S N -1.157 114.614 115.700 0.117 0.000 2.506 314 S HA 0.285 4.756 4.470 0.000 0.000 0.219 314 S C 0.487 175.163 174.600 0.126 0.000 1.031 314 S CA 0.657 58.926 58.200 0.115 0.000 0.911 314 S CB 0.701 63.978 63.200 0.129 0.000 0.812 314 S HN 0.679 nan 8.310 nan 0.000 0.497 315 D N 0.124 120.624 120.400 0.167 0.000 2.581 315 D HA 0.581 5.221 4.640 0.000 0.000 0.232 315 D C -1.215 175.185 176.300 0.165 0.000 1.143 315 D CA -0.434 53.660 54.000 0.157 0.000 0.881 315 D CB 1.616 42.556 40.800 0.234 0.000 1.500 315 D HN 0.019 nan 8.370 nan 0.000 0.458 316 M N 3.027 122.656 119.600 0.047 0.000 2.265 316 M HA 0.374 4.854 4.480 0.000 0.000 0.251 316 M C -2.165 174.094 176.300 -0.069 0.000 1.005 316 M CA -0.526 54.808 55.300 0.057 0.000 0.998 316 M CB 1.239 33.868 32.600 0.047 0.000 2.070 316 M HN 0.133 nan 8.290 nan 0.000 0.476 317 V N 4.348 124.200 119.914 -0.104 0.000 2.547 317 V HA 0.499 4.619 4.120 0.000 0.000 0.299 317 V C -0.476 175.593 176.094 -0.041 0.000 1.040 317 V CA -0.483 61.708 62.300 -0.182 0.000 0.913 317 V CB 1.971 33.545 31.823 -0.416 0.000 0.992 317 V HN 0.807 nan 8.190 nan 0.000 0.449 318 Q N 2.666 122.436 119.800 -0.050 0.000 2.333 318 Q HA 0.758 5.098 4.340 0.000 0.000 0.268 318 Q C -0.401 175.587 176.000 -0.020 0.000 1.007 318 Q CA -0.357 55.436 55.803 -0.017 0.000 0.810 318 Q CB 2.306 31.032 28.738 -0.020 0.000 1.264 318 Q HN 0.913 nan 8.270 nan 0.000 0.452 319 A N 2.689 125.506 122.820 -0.005 0.000 2.309 319 A HA 0.821 5.142 4.320 0.000 0.000 0.317 319 A C -0.933 176.653 177.584 0.004 0.000 1.134 319 A CA -0.461 51.574 52.037 -0.003 0.000 0.866 319 A CB 1.761 20.763 19.000 0.003 0.000 1.329 319 A HN 0.741 nan 8.150 nan 0.000 0.477 320 E N -0.815 119.392 120.200 0.012 0.000 2.381 320 E HA 0.464 4.814 4.350 0.000 0.000 0.286 320 E C -1.673 174.952 176.600 0.042 0.000 0.960 320 E CA -0.625 55.793 56.400 0.031 0.000 0.793 320 E CB 1.491 31.209 29.700 0.030 0.000 1.225 320 E HN 0.520 nan 8.360 nan 0.000 0.420 321 R N 2.564 123.103 120.500 0.066 0.000 2.415 321 R HA 0.339 4.679 4.340 0.000 0.000 0.292 321 R C -1.407 174.964 176.300 0.118 0.000 1.295 321 R CA -0.294 55.851 56.100 0.075 0.000 1.137 321 R CB 0.734 31.072 30.300 0.063 0.000 1.135 321 R HN 0.465 nan 8.270 nan 0.000 0.560 322 S N 1.428 117.193 115.700 0.110 0.000 2.654 322 S HA 0.728 5.198 4.470 0.000 0.000 0.283 322 S C 0.485 175.150 174.600 0.108 0.000 1.180 322 S CA -0.158 58.125 58.200 0.138 0.000 1.021 322 S CB 1.701 64.945 63.200 0.073 0.000 1.018 322 S HN 1.135 nan 8.310 nan 0.000 0.532 323 G N 0.824 109.696 108.800 0.119 0.000 2.520 323 G HA2 -0.145 3.815 3.960 0.000 0.000 0.264 323 G HA3 -0.145 3.815 3.960 0.000 0.000 0.264 323 G C -0.433 174.530 174.900 0.106 0.000 1.140 323 G CA -0.303 44.856 45.100 0.099 0.000 1.012 323 G HN 0.831 nan 8.290 nan 0.000 0.511 324 I N 1.327 121.966 120.570 0.114 0.000 2.347 324 I HA 0.221 4.391 4.170 0.000 0.000 0.283 324 I C -2.037 174.161 176.117 0.135 0.000 1.058 324 I CA -2.289 59.083 61.300 0.121 0.000 1.202 324 I CB 1.476 39.536 38.000 0.100 0.000 1.386 324 I HN -0.056 nan 8.210 nan 0.000 0.475 325 P HA 0.069 nan 4.420 nan 0.000 0.263 325 P C -0.125 177.294 177.300 0.199 0.000 1.195 325 P CA 0.334 63.523 63.100 0.149 0.000 0.762 325 P CB 0.382 32.163 31.700 0.135 0.000 0.799 326 I N 4.005 124.668 120.570 0.155 0.000 2.517 326 I HA 0.111 4.281 4.170 0.000 0.000 0.289 326 I C 0.663 176.842 176.117 0.102 0.000 1.149 326 I CA -0.773 60.640 61.300 0.188 0.000 1.189 326 I CB -0.007 38.086 38.000 0.155 0.000 1.641 326 I HN 0.107 nan 8.210 nan 0.000 0.560 327 V N -0.010 119.960 119.914 0.093 0.000 3.134 327 V HA 0.436 4.556 4.120 0.000 0.000 0.313 327 V C 1.295 177.404 176.094 0.025 0.000 1.069 327 V CA -0.056 62.261 62.300 0.028 0.000 1.048 327 V CB 1.285 33.098 31.823 -0.015 0.000 1.119 327 V HN 0.593 nan 8.190 nan 0.000 0.461 328 T N -2.127 112.444 114.554 0.028 0.000 3.054 328 T HA 0.137 4.487 4.350 0.000 0.000 0.259 328 T C 0.906 175.727 174.700 0.201 0.000 1.092 328 T CA 0.854 63.016 62.100 0.103 0.000 1.121 328 T CB -0.005 68.927 68.868 0.105 0.000 0.912 328 T HN 0.888 nan 8.240 nan 0.000 0.489 329 S N 1.921 117.656 115.700 0.057 0.000 2.552 329 S HA 0.510 4.980 4.470 0.000 0.000 0.314 329 S C -2.505 171.973 174.600 -0.203 0.000 1.099 329 S CA -1.659 56.544 58.200 0.005 0.000 1.070 329 S CB 1.655 64.875 63.200 0.033 0.000 0.998 329 S HN -0.047 nan 8.310 nan 0.000 0.474 330 P HA 0.104 nan 4.420 nan 0.000 0.242 330 P C -0.992 175.719 177.300 -0.981 0.000 1.198 330 P CA 0.904 63.410 63.100 -0.990 0.000 0.756 330 P CB -0.206 30.986 31.700 -0.845 0.000 0.911 331 Y N -1.929 118.230 120.300 -0.236 0.000 2.638 331 Y HA 0.546 5.096 4.550 0.000 0.000 0.339 331 Y C 0.428 176.251 175.900 -0.128 0.000 1.084 331 Y CA -0.958 57.047 58.100 -0.159 0.000 1.068 331 Y CB 1.560 39.944 38.460 -0.127 0.000 1.294 331 Y HN -0.342 nan 8.280 nan 0.000 0.480 332 Q N 1.046 120.886 119.800 0.066 0.000 2.456 332 Q HA 0.716 5.056 4.340 0.000 0.000 0.284 332 Q C -1.712 174.216 176.000 -0.121 0.000 1.061 332 Q CA -0.917 54.866 55.803 -0.035 0.000 0.799 332 Q CB 3.564 32.330 28.738 0.048 0.000 1.445 332 Q HN 0.521 nan 8.270 nan 0.000 0.411 333 I N 1.226 121.603 120.570 -0.322 0.000 2.498 333 I HA 0.424 4.594 4.170 0.000 0.000 0.290 333 I C -1.289 174.448 176.117 -0.633 0.000 1.032 333 I CA -0.685 60.389 61.300 -0.376 0.000 1.073 333 I CB 1.641 39.445 38.000 -0.326 0.000 1.251 333 I HN 0.582 nan 8.210 nan 0.000 0.426 334 H N 5.076 124.030 119.070 -0.193 0.000 2.782 334 H HA 0.365 4.921 4.556 0.000 0.000 0.347 334 H C -0.820 174.403 175.328 -0.174 0.000 1.038 334 H CA -0.430 55.575 56.048 -0.071 0.000 1.255 334 H CB 1.514 31.377 29.762 0.169 0.000 1.623 334 H HN 0.419 nan 8.280 nan 0.000 0.525 335 F N 0.922 120.995 119.950 0.206 0.000 2.713 335 F HA 0.056 4.583 4.527 0.000 0.000 0.294 335 F C 1.906 177.773 175.800 0.113 0.000 1.152 335 F CA -0.081 58.010 58.000 0.150 0.000 1.385 335 F CB -0.042 39.027 39.000 0.115 0.000 0.981 335 F HN 0.606 nan 8.300 nan 0.000 0.514 336 T N -2.985 111.692 114.554 0.205 0.000 2.962 336 T HA -0.157 4.193 4.350 0.000 0.000 0.270 336 T C 1.604 176.298 174.700 -0.011 0.000 1.088 336 T CA 1.074 63.214 62.100 0.068 0.000 1.127 336 T CB -0.158 68.695 68.868 -0.025 0.000 0.883 336 T HN 0.294 nan 8.240 nan 0.000 0.493 337 K N 0.886 121.307 120.400 0.037 0.000 2.374 337 K HA 0.165 4.485 4.320 0.000 0.000 0.196 337 K C -0.026 176.668 176.600 0.157 0.000 1.023 337 K CA 0.058 56.389 56.287 0.073 0.000 1.103 337 K CB 0.553 33.146 32.500 0.155 0.000 0.848 337 K HN 0.254 nan 8.250 nan 0.000 0.528 338 T N 3.326 117.994 114.554 0.189 0.000 2.767 338 T HA 0.250 4.601 4.350 0.000 0.000 0.284 338 T C -2.575 172.237 174.700 0.187 0.000 0.973 338 T CA -1.813 60.410 62.100 0.205 0.000 0.996 338 T CB 1.579 70.653 68.868 0.344 0.000 0.927 338 T HN -0.132 nan 8.240 nan 0.000 0.456 339 P HA 0.105 nan 4.420 nan 0.000 0.267 339 P C 0.388 177.858 177.300 0.283 0.000 1.201 339 P CA -0.290 62.943 63.100 0.221 0.000 0.775 339 P CB 0.518 32.353 31.700 0.224 0.000 0.854 340 K N 1.304 121.821 120.400 0.194 0.000 2.498 340 K HA 0.210 4.530 4.320 0.000 0.000 0.207 340 K C -0.551 175.849 176.600 -0.334 0.000 1.033 340 K CA 0.035 56.285 56.287 -0.061 0.000 1.138 340 K CB -0.033 32.339 32.500 -0.213 0.000 0.860 340 K HN 0.510 nan 8.250 nan 0.000 0.490 341 Y N 0.054 120.516 120.300 0.270 0.000 2.504 341 Y HA 0.374 4.924 4.550 0.000 0.000 0.344 341 Y C -0.154 175.966 175.900 0.366 0.000 1.023 341 Y CA -1.700 56.533 58.100 0.220 0.000 1.020 341 Y CB 1.443 39.997 38.460 0.156 0.000 1.282 341 Y HN -0.015 nan 8.280 nan 0.000 0.454 342 F N -0.762 119.350 119.950 0.268 0.000 2.654 342 F HA 0.937 5.464 4.527 0.000 0.000 0.334 342 F C -1.526 174.367 175.800 0.156 0.000 1.078 342 F CA -1.677 56.451 58.000 0.213 0.000 0.986 342 F CB 1.340 40.228 39.000 -0.185 0.000 1.362 342 F HN 0.090 nan 8.300 nan 0.000 0.498 343 K N 1.501 122.037 120.400 0.227 0.000 2.394 343 K HA 0.459 4.779 4.320 0.000 0.000 0.260 343 K C -2.891 173.635 176.600 -0.123 0.000 0.967 343 K CA -2.142 54.050 56.287 -0.157 0.000 0.855 343 K CB 1.374 33.767 32.500 -0.178 0.000 1.101 343 K HN 0.235 nan 8.250 nan 0.000 0.433 344 P HA -0.008 nan 4.420 nan 0.000 0.257 344 P C 0.688 177.918 177.300 -0.116 0.000 1.189 344 P CA 0.995 64.069 63.100 -0.044 0.000 0.780 344 P CB 0.554 32.230 31.700 -0.041 0.000 0.772 345 G N 2.943 111.728 108.800 -0.025 0.000 2.345 345 G HA2 -0.244 3.717 3.960 0.000 0.000 0.218 345 G HA3 -0.244 3.717 3.960 0.000 0.000 0.218 345 G C 0.188 175.049 174.900 -0.066 0.000 1.058 345 G CA -0.295 44.778 45.100 -0.044 0.000 0.632 345 G HN 0.447 nan 8.290 nan 0.000 0.508 346 M N 2.101 121.654 119.600 -0.078 0.000 2.250 346 M HA 0.404 4.884 4.480 0.000 0.000 0.344 346 M C -2.289 173.947 176.300 -0.106 0.000 1.150 346 M CA -1.591 53.655 55.300 -0.090 0.000 1.147 346 M CB 0.508 33.060 32.600 -0.081 0.000 1.498 346 M HN -0.051 nan 8.290 nan 0.000 0.461 347 P HA -0.016 nan 4.420 nan 0.000 0.266 347 P C -1.299 175.898 177.300 -0.172 0.000 1.195 347 P CA 0.230 63.221 63.100 -0.182 0.000 0.768 347 P CB 0.195 31.752 31.700 -0.238 0.000 0.838 348 F N 3.186 123.044 119.950 -0.154 0.000 2.403 348 F HA 0.308 4.835 4.527 0.000 0.000 0.355 348 F C -0.422 175.382 175.800 0.007 0.000 1.119 348 F CA -0.823 57.156 58.000 -0.035 0.000 1.007 348 F CB 0.664 39.655 39.000 -0.016 0.000 1.194 348 F HN 0.145 nan 8.300 nan 0.000 0.443 349 D N 5.651 125.787 120.400 -0.441 0.000 2.304 349 D HA 0.426 5.066 4.640 0.000 0.000 0.247 349 D C -0.805 175.179 176.300 -0.527 0.000 1.089 349 D CA 0.164 53.967 54.000 -0.328 0.000 0.910 349 D CB 1.672 42.394 40.800 -0.131 0.000 1.199 349 D HN 0.339 nan 8.370 nan 0.000 0.426 350 L N 1.571 122.674 121.223 -0.199 0.000 2.346 350 L HA 0.390 4.730 4.340 0.000 0.000 0.276 350 L C 0.161 177.057 176.870 0.043 0.000 1.006 350 L CA -0.398 54.419 54.840 -0.039 0.000 0.817 350 L CB 1.575 43.726 42.059 0.153 0.000 1.272 350 L HN 0.191 nan 8.230 nan 0.000 0.421 351 M N 3.400 123.067 119.600 0.112 0.000 3.307 351 M HA 0.265 4.745 4.480 0.000 0.000 0.222 351 M C -0.636 175.759 176.300 0.158 0.000 1.243 351 M CA -0.463 54.909 55.300 0.120 0.000 1.270 351 M CB 0.433 33.111 32.600 0.130 0.000 1.187 351 M HN 0.187 nan 8.290 nan 0.000 0.598 352 V N 1.973 121.955 119.914 0.114 0.000 2.617 352 V HA -0.082 4.038 4.120 0.000 0.000 0.304 352 V C -0.080 176.076 176.094 0.104 0.000 1.040 352 V CA 0.522 62.829 62.300 0.012 0.000 1.149 352 V CB 0.002 31.807 31.823 -0.030 0.000 0.914 352 V HN 0.498 nan 8.190 nan 0.000 0.487 353 F N 5.948 125.836 119.950 -0.105 0.000 2.453 353 F HA 0.519 5.046 4.527 0.000 0.000 0.358 353 F C -0.094 175.716 175.800 0.017 0.000 1.129 353 F CA -0.736 57.260 58.000 -0.008 0.000 1.200 353 F CB 0.875 39.902 39.000 0.046 0.000 1.431 353 F HN 0.253 nan 8.300 nan 0.000 0.503 354 V N 4.305 124.059 119.914 -0.268 0.000 2.530 354 V HA 0.431 4.552 4.120 0.000 0.000 0.282 354 V C 0.410 176.299 176.094 -0.340 0.000 1.048 354 V CA 0.261 62.419 62.300 -0.236 0.000 0.997 354 V CB 0.995 32.721 31.823 -0.161 0.000 0.987 354 V HN 0.787 nan 8.190 nan 0.000 0.477 355 T N 1.747 116.186 114.554 -0.191 0.000 2.804 355 T HA 0.558 4.908 4.350 0.000 0.000 0.290 355 T C -0.528 174.163 174.700 -0.014 0.000 1.099 355 T CA -1.085 60.920 62.100 -0.159 0.000 1.011 355 T CB 1.756 70.499 68.868 -0.208 0.000 1.291 355 T HN 0.407 nan 8.240 nan 0.000 0.523 356 N N 1.017 119.699 118.700 -0.029 0.000 2.476 356 N HA 0.442 5.182 4.740 0.000 0.000 0.275 356 N C -1.975 173.509 175.510 -0.043 0.000 1.190 356 N CA -2.278 50.728 53.050 -0.073 0.000 0.977 356 N CB 0.554 39.022 38.487 -0.031 0.000 1.200 356 N HN 0.336 nan 8.380 nan 0.000 0.515 357 P HA -0.163 nan 4.420 nan 0.000 0.217 357 P C 0.530 177.863 177.300 0.055 0.000 1.148 357 P CA 1.301 64.386 63.100 -0.026 0.000 0.828 357 P CB 0.208 31.883 31.700 -0.043 0.000 0.783 358 D N -2.090 118.355 120.400 0.074 0.000 2.213 358 D HA 0.010 4.650 4.640 0.000 0.000 0.205 358 D C 1.587 177.928 176.300 0.069 0.000 0.961 358 D CA 1.587 55.637 54.000 0.083 0.000 0.853 358 D CB -0.800 40.056 40.800 0.093 0.000 0.967 358 D HN 0.271 nan 8.370 nan 0.000 0.496 359 G N -0.142 108.693 108.800 0.057 0.000 2.425 359 G HA2 -0.144 3.816 3.960 0.000 0.000 0.177 359 G HA3 -0.144 3.816 3.960 0.000 0.000 0.177 359 G C 0.154 175.086 174.900 0.053 0.000 0.999 359 G CA 0.189 45.323 45.100 0.058 0.000 0.723 359 G HN 0.690 nan 8.290 nan 0.000 0.491 360 S N 1.108 116.835 115.700 0.046 0.000 2.565 360 S HA 0.662 5.132 4.470 0.000 0.000 0.274 360 S C -2.249 172.357 174.600 0.011 0.000 1.309 360 S CA -1.229 56.998 58.200 0.045 0.000 1.043 360 S CB 1.823 65.055 63.200 0.053 0.000 0.939 360 S HN 0.099 nan 8.310 nan 0.000 0.504 361 P HA 0.242 nan 4.420 nan 0.000 0.267 361 P C -0.825 176.488 177.300 0.022 0.000 1.200 361 P CA -0.010 63.066 63.100 -0.040 0.000 0.772 361 P CB 0.272 31.993 31.700 0.034 0.000 0.855 362 A N 3.028 125.856 122.820 0.013 0.000 2.305 362 A HA 0.432 4.752 4.320 0.000 0.000 0.322 362 A C -1.287 176.375 177.584 0.130 0.000 1.187 362 A CA -0.408 51.701 52.037 0.120 0.000 0.825 362 A CB 0.101 19.220 19.000 0.199 0.000 1.164 362 A HN 0.530 nan 8.150 nan 0.000 0.498 363 Y N 2.482 122.810 120.300 0.046 0.000 2.328 363 Y HA 0.492 5.042 4.550 0.000 0.000 0.337 363 Y C 0.583 176.490 175.900 0.013 0.000 1.008 363 Y CA -0.099 58.014 58.100 0.022 0.000 1.129 363 Y CB 0.586 39.062 38.460 0.025 0.000 1.185 363 Y HN 0.871 nan 8.280 nan 0.000 0.476 364 R N 3.296 123.481 120.500 -0.524 0.000 2.532 364 R HA -0.082 4.258 4.340 0.000 0.000 0.317 364 R C -1.887 174.291 176.300 -0.203 0.000 1.026 364 R CA 0.487 56.352 56.100 -0.393 0.000 0.846 364 R CB -1.604 28.469 30.300 -0.378 0.000 2.375 364 R HN 0.399 nan 8.270 nan 0.000 0.497 365 V N 3.691 123.475 119.914 -0.218 0.000 2.445 365 V HA 0.246 4.366 4.120 0.000 0.000 0.283 365 V C -2.011 173.946 176.094 -0.228 0.000 1.014 365 V CA -1.848 60.291 62.300 -0.268 0.000 0.852 365 V CB 2.138 33.732 31.823 -0.381 0.000 1.021 365 V HN 0.316 nan 8.190 nan 0.000 0.435 366 P HA 0.118 nan 4.420 nan 0.000 0.261 366 P C -0.504 176.711 177.300 -0.141 0.000 1.183 366 P CA 0.472 63.487 63.100 -0.143 0.000 0.761 366 P CB 0.567 32.196 31.700 -0.118 0.000 0.785 367 V N 0.786 120.637 119.914 -0.105 0.000 2.823 367 V HA 0.989 5.109 4.120 0.000 0.000 0.312 367 V C -0.648 175.419 176.094 -0.045 0.000 1.072 367 V CA -1.225 61.026 62.300 -0.082 0.000 0.937 367 V CB 1.910 33.687 31.823 -0.078 0.000 1.013 367 V HN 0.633 nan 8.190 nan 0.000 0.430 368 A N 2.495 125.300 122.820 -0.024 0.000 2.602 368 A HA 0.907 5.227 4.320 0.000 0.000 0.290 368 A C -1.148 176.446 177.584 0.017 0.000 1.114 368 A CA -0.599 51.434 52.037 -0.007 0.000 0.683 368 A CB 1.804 20.793 19.000 -0.018 0.000 1.281 368 A HN 1.477 nan 8.150 nan 0.000 0.416 369 V N 1.749 121.675 119.914 0.020 0.000 2.630 369 V HA 0.242 4.362 4.120 0.000 0.000 0.305 369 V C 1.111 177.211 176.094 0.010 0.000 1.046 369 V CA -0.549 61.768 62.300 0.028 0.000 0.934 369 V CB 1.605 33.447 31.823 0.031 0.000 1.003 369 V HN 0.961 nan 8.190 nan 0.000 0.451 370 Q N 2.479 122.284 119.800 0.009 0.000 2.197 370 Q HA -0.166 4.174 4.340 0.000 0.000 0.207 370 Q C 2.007 178.003 176.000 -0.007 0.000 0.984 370 Q CA 1.855 57.657 55.803 -0.001 0.000 0.869 370 Q CB -0.355 28.381 28.738 -0.004 0.000 0.906 370 Q HN 1.028 nan 8.270 nan 0.000 0.426 371 G N 0.821 109.616 108.800 -0.008 0.000 2.637 371 G HA2 -0.193 3.767 3.960 0.000 0.000 0.215 371 G HA3 -0.193 3.767 3.960 0.000 0.000 0.215 371 G C 0.429 175.324 174.900 -0.008 0.000 1.289 371 G CA 0.461 45.555 45.100 -0.010 0.000 0.816 371 G HN 0.321 nan 8.290 nan 0.000 0.580 372 E N 0.933 121.128 120.200 -0.009 0.000 2.191 372 E HA 0.383 4.733 4.350 0.000 0.000 0.274 372 E C -0.661 175.932 176.600 -0.011 0.000 0.948 372 E CA -0.911 55.483 56.400 -0.010 0.000 0.802 372 E CB 1.307 30.998 29.700 -0.014 0.000 1.137 372 E HN 0.390 nan 8.360 nan 0.000 0.397 373 D N 1.716 122.108 120.400 -0.012 0.000 2.466 373 D HA 0.316 4.957 4.640 0.000 0.000 0.262 373 D C 0.117 176.407 176.300 -0.017 0.000 1.177 373 D CA 0.140 54.131 54.000 -0.015 0.000 1.035 373 D CB 0.330 41.121 40.800 -0.015 0.000 1.105 373 D HN 0.543 nan 8.370 nan 0.000 0.551 374 T N -1.929 112.614 114.554 -0.019 0.000 11.675 374 T HA -0.188 4.162 4.350 0.000 0.000 0.407 374 T C 0.730 175.416 174.700 -0.023 0.000 1.535 374 T CA 1.472 63.559 62.100 -0.021 0.000 2.503 374 T CB -1.497 67.360 68.868 -0.019 0.000 2.785 374 T HN 0.461 nan 8.240 nan 0.000 0.895 375 V N 3.846 123.748 119.914 -0.020 0.000 2.324 375 V HA 0.229 4.349 4.120 0.000 0.000 0.244 375 V C 0.536 176.617 176.094 -0.021 0.000 1.144 375 V CA 0.821 63.109 62.300 -0.020 0.000 1.158 375 V CB -0.258 31.556 31.823 -0.016 0.000 1.254 375 V HN 0.436 nan 8.190 nan 0.000 0.492 376 Q N 2.462 122.244 119.800 -0.028 0.000 2.496 376 Q HA 0.826 5.166 4.340 0.000 0.000 0.286 376 Q C -0.554 175.421 176.000 -0.042 0.000 1.103 376 Q CA -0.798 54.984 55.803 -0.036 0.000 0.813 376 Q CB 2.655 31.367 28.738 -0.043 0.000 1.444 376 Q HN 0.690 nan 8.270 nan 0.000 0.443 377 S N 0.201 115.870 115.700 -0.052 0.000 2.653 377 S HA 0.373 4.843 4.470 0.000 0.000 0.268 377 S C -1.189 173.361 174.600 -0.083 0.000 1.153 377 S CA -0.798 57.367 58.200 -0.060 0.000 1.036 377 S CB 0.397 63.569 63.200 -0.047 0.000 1.103 377 S HN 0.367 nan 8.310 nan 0.000 0.466 378 L N 3.132 124.295 121.223 -0.099 0.000 2.499 378 L HA 0.277 4.617 4.340 0.000 0.000 0.273 378 L C 1.092 177.868 176.870 -0.155 0.000 1.195 378 L CA 0.841 55.599 54.840 -0.138 0.000 0.882 378 L CB -0.114 41.853 42.059 -0.153 0.000 1.133 378 L HN 0.769 nan 8.230 nan 0.000 0.483 379 T N 3.633 118.083 114.554 -0.174 0.000 2.928 379 T HA 0.078 4.428 4.350 0.000 0.000 0.305 379 T C 0.586 175.160 174.700 -0.210 0.000 1.035 379 T CA -0.264 61.742 62.100 -0.157 0.000 1.145 379 T CB 0.306 69.085 68.868 -0.148 0.000 0.963 379 T HN 0.538 nan 8.240 nan 0.000 0.545 380 Q N 1.436 121.162 119.800 -0.124 0.000 2.319 380 Q HA 0.315 4.655 4.340 0.000 0.000 0.173 380 Q C 2.083 178.081 176.000 -0.003 0.000 1.112 380 Q CA -0.242 55.503 55.803 -0.097 0.000 1.144 380 Q CB -0.035 28.691 28.738 -0.021 0.000 1.765 380 Q HN 0.813 nan 8.270 nan 0.000 0.594 381 G N 0.754 109.647 108.800 0.154 0.000 2.396 381 G HA2 -0.207 3.753 3.960 0.000 0.000 0.214 381 G HA3 -0.207 3.753 3.960 0.000 0.000 0.214 381 G C 0.853 175.862 174.900 0.182 0.000 1.166 381 G CA 0.926 46.212 45.100 0.310 0.000 0.793 381 G HN 0.763 nan 8.290 nan 0.000 0.533 382 D N 0.243 120.718 120.400 0.126 0.000 2.350 382 D HA 0.123 4.764 4.640 0.000 0.000 0.216 382 D C 1.618 178.008 176.300 0.150 0.000 0.968 382 D CA 0.917 54.998 54.000 0.134 0.000 0.894 382 D CB -0.678 40.196 40.800 0.123 0.000 0.909 382 D HN 0.631 nan 8.370 nan 0.000 0.520 383 G N -0.697 108.155 108.800 0.086 0.000 2.164 383 G HA2 -0.135 3.825 3.960 0.000 0.000 0.212 383 G HA3 -0.135 3.825 3.960 0.000 0.000 0.212 383 G C -0.301 174.607 174.900 0.014 0.000 1.031 383 G CA 0.026 45.112 45.100 -0.024 0.000 0.730 383 G HN 0.396 nan 8.290 nan 0.000 0.501 384 V N -0.078 119.890 119.914 0.089 0.000 2.531 384 V HA 0.872 4.992 4.120 0.000 0.000 0.301 384 V C 0.541 176.656 176.094 0.036 0.000 1.034 384 V CA -0.282 62.097 62.300 0.132 0.000 0.865 384 V CB 1.598 33.529 31.823 0.179 0.000 0.995 384 V HN 1.216 nan 8.190 nan 0.000 0.424 385 A N 3.871 126.704 122.820 0.021 0.000 2.269 385 A HA 0.950 5.271 4.320 0.000 0.000 0.327 385 A C -0.444 177.139 177.584 -0.000 0.000 1.112 385 A CA -0.685 51.343 52.037 -0.014 0.000 0.865 385 A CB 1.408 20.386 19.000 -0.036 0.000 1.227 385 A HN 0.689 nan 8.150 nan 0.000 0.498 386 K N 0.979 121.369 120.400 -0.017 0.000 2.572 386 K HA 0.616 4.936 4.320 0.000 0.000 0.244 386 K C -1.611 174.980 176.600 -0.016 0.000 0.965 386 K CA 0.051 56.328 56.287 -0.018 0.000 0.943 386 K CB 0.069 32.550 32.500 -0.032 0.000 1.154 386 K HN 0.601 nan 8.250 nan 0.000 0.447 387 L N 1.905 123.127 121.223 -0.001 0.000 2.313 387 L HA 0.670 5.010 4.340 0.000 0.000 0.268 387 L C -0.496 176.368 176.870 -0.011 0.000 1.010 387 L CA -1.076 53.767 54.840 0.005 0.000 0.814 387 L CB 2.203 44.288 42.059 0.043 0.000 1.304 387 L HN 0.838 nan 8.230 nan 0.000 0.441 388 S N 1.045 116.741 115.700 -0.006 0.000 2.446 388 S HA 0.439 4.909 4.470 0.000 0.000 0.230 388 S C -0.787 173.812 174.600 -0.001 0.000 1.051 388 S CA -0.862 57.327 58.200 -0.018 0.000 1.113 388 S CB 0.231 63.407 63.200 -0.041 0.000 1.184 388 S HN 0.551 nan 8.310 nan 0.000 0.435 389 I N 0.114 120.708 120.570 0.040 0.000 2.934 389 I HA 0.660 4.831 4.170 0.000 0.000 0.315 389 I C -0.013 176.101 176.117 -0.006 0.000 0.997 389 I CA -0.861 60.450 61.300 0.019 0.000 1.184 389 I CB 0.849 38.869 38.000 0.032 0.000 1.400 389 I HN 0.417 nan 8.210 nan 0.000 0.549 390 N N 1.189 119.851 118.700 -0.064 0.000 2.489 390 N HA 0.496 5.236 4.740 0.000 0.000 0.284 390 N C -1.033 174.366 175.510 -0.184 0.000 1.158 390 N CA -0.176 52.802 53.050 -0.120 0.000 0.965 390 N CB 1.818 40.213 38.487 -0.154 0.000 1.195 390 N HN 0.733 nan 8.380 nan 0.000 0.506 391 T N 0.870 115.302 114.554 -0.203 0.000 2.908 391 T HA 0.360 4.710 4.350 0.000 0.000 0.290 391 T C -0.604 173.942 174.700 -0.257 0.000 1.034 391 T CA -0.595 61.373 62.100 -0.219 0.000 1.010 391 T CB 0.997 69.805 68.868 -0.099 0.000 1.068 391 T HN 0.323 nan 8.240 nan 0.000 0.481 392 H N 1.805 120.841 119.070 -0.056 0.000 2.481 392 H HA 0.208 4.764 4.556 0.000 0.000 0.339 392 H C -1.787 173.561 175.328 0.033 0.000 1.131 392 H CA -2.087 53.953 56.048 -0.013 0.000 1.301 392 H CB 1.412 31.160 29.762 -0.023 0.000 1.476 392 H HN 0.317 nan 8.280 nan 0.000 0.529 393 P HA -0.121 nan 4.420 nan 0.000 0.231 393 P C 0.399 177.784 177.300 0.142 0.000 1.158 393 P CA 0.624 63.798 63.100 0.123 0.000 0.763 393 P CB 0.093 31.859 31.700 0.110 0.000 0.805 394 S N -0.357 115.435 115.700 0.154 0.000 2.576 394 S HA 0.043 4.514 4.470 0.000 0.000 0.272 394 S C 0.915 175.611 174.600 0.161 0.000 1.352 394 S CA -0.316 57.957 58.200 0.123 0.000 1.021 394 S CB 0.457 63.700 63.200 0.072 0.000 0.887 394 S HN 0.020 nan 8.310 nan 0.000 0.542 395 Q N -0.156 119.720 119.800 0.127 0.000 2.222 395 Q HA 0.247 4.588 4.340 0.000 0.000 0.206 395 Q C -0.328 175.759 176.000 0.145 0.000 0.877 395 Q CA 0.023 55.907 55.803 0.134 0.000 0.958 395 Q CB -0.162 28.630 28.738 0.090 0.000 1.075 395 Q HN 0.623 nan 8.270 nan 0.000 0.483 396 K N 2.392 122.875 120.400 0.138 0.000 2.322 396 K HA 0.200 4.520 4.320 0.000 0.000 0.283 396 K C -2.464 174.227 176.600 0.152 0.000 1.042 396 K CA -1.926 54.419 56.287 0.097 0.000 0.958 396 K CB 0.456 32.973 32.500 0.028 0.000 0.984 396 K HN -0.143 nan 8.250 nan 0.000 0.473 397 P HA -0.099 nan 4.420 nan 0.000 0.263 397 P C -0.776 176.500 177.300 -0.040 0.000 1.175 397 P CA 0.166 63.340 63.100 0.123 0.000 0.761 397 P CB 0.388 32.114 31.700 0.045 0.000 0.794 398 L N 2.607 123.718 121.223 -0.187 0.000 2.292 398 L HA 0.376 4.717 4.340 0.000 0.000 0.284 398 L C 0.236 176.909 176.870 -0.329 0.000 1.065 398 L CA -0.136 54.407 54.840 -0.495 0.000 0.806 398 L CB 0.898 42.249 42.059 -1.180 0.000 1.175 398 L HN 0.325 nan 8.230 nan 0.000 0.431 399 S N 4.837 120.377 115.700 -0.267 0.000 2.552 399 S HA 0.693 5.163 4.470 0.000 0.000 0.314 399 S C -0.764 173.713 174.600 -0.204 0.000 1.099 399 S CA -0.583 57.493 58.200 -0.207 0.000 1.070 399 S CB 0.805 63.923 63.200 -0.135 0.000 0.998 399 S HN 0.401 nan 8.310 nan 0.000 0.474 400 I N 3.600 124.033 120.570 -0.228 0.000 2.509 400 I HA 0.419 4.590 4.170 0.000 0.000 0.293 400 I C -0.115 175.914 176.117 -0.146 0.000 1.020 400 I CA -0.226 60.961 61.300 -0.188 0.000 1.088 400 I CB 2.361 40.231 38.000 -0.217 0.000 1.267 400 I HN 0.469 nan 8.210 nan 0.000 0.430 401 T N 4.941 119.469 114.554 -0.043 0.000 2.991 401 T HA 0.450 4.801 4.350 0.000 0.000 0.347 401 T C -0.425 174.332 174.700 0.095 0.000 1.122 401 T CA -0.422 61.696 62.100 0.031 0.000 1.062 401 T CB 0.750 69.625 68.868 0.011 0.000 1.043 401 T HN 0.190 nan 8.240 nan 0.000 0.491 402 V N 4.917 124.966 119.914 0.225 0.000 2.439 402 V HA 0.526 4.646 4.120 0.000 0.000 0.282 402 V C 0.506 176.661 176.094 0.102 0.000 1.039 402 V CA -0.614 61.804 62.300 0.198 0.000 0.913 402 V CB 1.246 33.267 31.823 0.330 0.000 0.983 402 V HN 0.688 nan 8.190 nan 0.000 0.460 403 R N 1.811 122.334 120.500 0.038 0.000 3.006 403 R HA 0.685 5.025 4.340 0.000 0.000 0.235 403 R C -0.450 175.825 176.300 -0.043 0.000 1.362 403 R CA -0.759 55.339 56.100 -0.002 0.000 1.067 403 R CB 1.612 31.911 30.300 -0.002 0.000 1.396 403 R HN 0.619 nan 8.270 nan 0.000 0.504 404 T N 0.782 115.296 114.554 -0.066 0.000 2.809 404 T HA 0.213 4.564 4.350 0.000 0.000 0.296 404 T C -0.207 174.432 174.700 -0.101 0.000 1.015 404 T CA -0.730 61.298 62.100 -0.119 0.000 0.954 404 T CB 0.523 69.274 68.868 -0.194 0.000 0.950 404 T HN 0.237 nan 8.240 nan 0.000 0.450 405 K N 3.741 124.083 120.400 -0.097 0.000 2.745 405 K HA 0.159 4.479 4.320 0.000 0.000 0.223 405 K C 0.447 176.994 176.600 -0.088 0.000 1.057 405 K CA -0.317 55.925 56.287 -0.075 0.000 1.217 405 K CB 0.019 32.483 32.500 -0.060 0.000 0.993 405 K HN 0.411 nan 8.250 nan 0.000 0.478 406 K N 2.168 122.496 120.400 -0.120 0.000 2.419 406 K HA 0.009 4.329 4.320 0.000 0.000 0.282 406 K C 0.604 177.169 176.600 -0.057 0.000 1.056 406 K CA 0.417 56.634 56.287 -0.118 0.000 1.035 406 K CB 0.340 32.734 32.500 -0.177 0.000 0.921 406 K HN 0.327 nan 8.250 nan 0.000 0.472 407 Q N 1.559 121.332 119.800 -0.045 0.000 2.631 407 Q HA -0.014 4.326 4.340 0.000 0.000 0.210 407 Q C 0.076 176.068 176.000 -0.014 0.000 1.094 407 Q CA 0.054 55.841 55.803 -0.028 0.000 1.055 407 Q CB 0.347 29.070 28.738 -0.025 0.000 1.261 407 Q HN 0.489 nan 8.270 nan 0.000 0.615 408 E N -1.136 119.056 120.200 -0.014 0.000 2.883 408 E HA -0.239 4.111 4.350 0.000 0.000 0.271 408 E C -1.115 175.475 176.600 -0.016 0.000 1.049 408 E CA 0.114 56.507 56.400 -0.012 0.000 0.817 408 E CB -1.062 28.638 29.700 0.000 0.000 1.407 408 E HN 0.206 nan 8.360 nan 0.000 0.434 409 L N -0.003 121.208 121.223 -0.020 0.000 2.588 409 L HA 0.264 4.604 4.340 0.000 0.000 0.263 409 L C -0.062 176.792 176.870 -0.026 0.000 0.935 409 L CA -0.094 54.731 54.840 -0.026 0.000 0.891 409 L CB 1.862 43.923 42.059 0.004 0.000 1.318 409 L HN 0.113 nan 8.230 nan 0.000 0.409 410 S N 2.507 118.187 115.700 -0.034 0.000 2.589 410 S HA 0.228 4.698 4.470 0.000 0.000 0.265 410 S C 0.779 175.371 174.600 -0.012 0.000 1.342 410 S CA -0.293 57.892 58.200 -0.026 0.000 1.005 410 S CB 0.764 63.945 63.200 -0.033 0.000 0.909 410 S HN 0.681 nan 8.310 nan 0.000 0.555 411 E N 1.185 121.378 120.200 -0.012 0.000 2.204 411 E HA -0.093 4.257 4.350 0.000 0.000 0.195 411 E C 2.086 178.689 176.600 0.006 0.000 0.990 411 E CA 1.305 57.701 56.400 -0.006 0.000 0.821 411 E CB -0.720 28.975 29.700 -0.009 0.000 0.750 411 E HN 0.842 nan 8.360 nan 0.000 0.477 412 A N 0.958 123.781 122.820 0.005 0.000 2.209 412 A HA -0.100 4.220 4.320 0.000 0.000 0.212 412 A C 1.375 178.994 177.584 0.060 0.000 1.158 412 A CA 0.633 52.681 52.037 0.018 0.000 0.742 412 A CB -0.072 18.923 19.000 -0.009 0.000 0.790 412 A HN 0.114 nan 8.150 nan 0.000 0.472 413 E N -0.197 120.042 120.200 0.064 0.000 2.624 413 E HA 0.091 4.441 4.350 0.000 0.000 0.210 413 E C -0.327 176.323 176.600 0.084 0.000 0.997 413 E CA -0.265 56.206 56.400 0.117 0.000 0.999 413 E CB 0.342 30.096 29.700 0.089 0.000 1.040 413 E HN 0.507 nan 8.360 nan 0.000 0.469 414 Q N 0.354 120.186 119.800 0.055 0.000 2.180 414 Q HA 0.622 4.962 4.340 0.000 0.000 0.241 414 Q C -0.264 175.759 176.000 0.038 0.000 0.970 414 Q CA -0.582 55.247 55.803 0.043 0.000 0.919 414 Q CB 1.563 30.307 28.738 0.010 0.000 1.222 414 Q HN 0.120 nan 8.270 nan 0.000 0.482 415 A N 0.312 123.147 122.820 0.025 0.000 2.325 415 A HA 0.712 5.032 4.320 0.000 0.000 0.333 415 A C -0.447 177.131 177.584 -0.009 0.000 1.155 415 A CA -0.358 51.683 52.037 0.007 0.000 0.814 415 A CB 1.581 20.584 19.000 0.005 0.000 1.206 415 A HN 0.547 nan 8.150 nan 0.000 0.482 416 T N 0.050 114.600 114.554 -0.006 0.000 2.916 416 T HA 0.679 5.029 4.350 0.000 0.000 0.305 416 T C -1.201 173.514 174.700 0.026 0.000 1.119 416 T CA -0.561 61.547 62.100 0.013 0.000 1.008 416 T CB 1.197 70.079 68.868 0.024 0.000 1.129 416 T HN 0.968 nan 8.240 nan 0.000 0.480 417 R N 1.816 122.373 120.500 0.095 0.000 2.566 417 R HA 0.650 4.991 4.340 0.000 0.000 0.271 417 R C -1.570 174.923 176.300 0.323 0.000 1.071 417 R CA -0.325 55.883 56.100 0.180 0.000 0.915 417 R CB 1.809 32.189 30.300 0.134 0.000 1.228 417 R HN 0.675 nan 8.270 nan 0.000 0.449 418 T N 5.400 120.061 114.554 0.178 0.000 2.807 418 T HA 0.566 4.916 4.350 0.000 0.000 0.279 418 T C -0.025 174.647 174.700 -0.046 0.000 0.993 418 T CA -0.696 61.427 62.100 0.037 0.000 0.970 418 T CB 0.972 69.840 68.868 0.000 0.000 0.950 418 T HN 0.663 nan 8.240 nan 0.000 0.441 419 M N 1.761 121.201 119.600 -0.265 0.000 2.758 419 M HA 0.736 5.216 4.480 0.000 0.000 0.281 419 M C -1.062 175.109 176.300 -0.215 0.000 1.082 419 M CA -1.033 54.113 55.300 -0.257 0.000 0.866 419 M CB 1.784 34.100 32.600 -0.473 0.000 1.662 419 M HN 0.465 nan 8.290 nan 0.000 0.515 420 Q N 0.341 120.032 119.800 -0.182 0.000 2.313 420 Q HA 0.689 5.029 4.340 0.000 0.000 0.260 420 Q C -2.401 173.509 176.000 -0.151 0.000 0.972 420 Q CA -0.558 55.149 55.803 -0.160 0.000 0.886 420 Q CB 2.536 31.210 28.738 -0.105 0.000 1.373 420 Q HN 0.978 nan 8.270 nan 0.000 0.416 421 A N 4.134 126.864 122.820 -0.149 0.000 2.340 421 A HA 0.817 5.137 4.320 0.000 0.000 0.331 421 A C -1.236 176.443 177.584 0.158 0.000 1.140 421 A CA -0.640 51.365 52.037 -0.053 0.000 0.801 421 A CB 1.055 20.016 19.000 -0.065 0.000 1.234 421 A HN 0.707 nan 8.150 nan 0.000 0.469 422 L N 1.928 123.146 121.223 -0.009 0.000 2.325 422 L HA 0.434 4.774 4.340 0.000 0.000 0.278 422 L C -2.297 174.432 176.870 -0.235 0.000 1.023 422 L CA -2.222 52.627 54.840 0.016 0.000 0.811 422 L CB 1.942 43.987 42.059 -0.023 0.000 1.249 422 L HN 0.428 nan 8.230 nan 0.000 0.431 423 P HA -0.095 nan 4.420 nan 0.000 0.268 423 P C -1.286 175.900 177.300 -0.191 0.000 1.208 423 P CA 0.072 62.730 63.100 -0.738 0.000 0.777 423 P CB 0.230 31.766 31.700 -0.272 0.000 0.875 424 Y N 2.254 122.431 120.300 -0.206 0.000 2.477 424 Y HA 0.263 4.813 4.550 0.000 0.000 0.349 424 Y C 0.654 176.633 175.900 0.132 0.000 0.977 424 Y CA -0.279 57.843 58.100 0.037 0.000 1.214 424 Y CB 0.268 38.823 38.460 0.157 0.000 1.124 424 Y HN 0.232 nan 8.280 nan 0.000 0.521 425 S N 4.583 120.065 115.700 -0.363 0.000 2.537 425 S HA 0.166 4.637 4.470 0.000 0.000 0.286 425 S C -0.123 174.233 174.600 -0.407 0.000 1.299 425 S CA -0.097 57.934 58.200 -0.283 0.000 1.067 425 S CB 0.019 63.082 63.200 -0.229 0.000 0.864 425 S HN 0.780 nan 8.310 nan 0.000 0.494 426 T N 4.778 119.222 114.554 -0.183 0.000 2.824 426 T HA 0.322 4.672 4.350 0.000 0.000 0.280 426 T C -0.342 174.288 174.700 -0.117 0.000 0.995 426 T CA -0.611 61.383 62.100 -0.177 0.000 1.009 426 T CB 1.346 70.080 68.868 -0.223 0.000 0.955 426 T HN 0.488 nan 8.240 nan 0.000 0.452 427 V N 3.528 123.373 119.914 -0.114 0.000 2.400 427 V HA 0.357 4.477 4.120 0.000 0.000 0.263 427 V C 1.486 177.525 176.094 -0.091 0.000 1.026 427 V CA 1.043 63.284 62.300 -0.099 0.000 1.077 427 V CB -0.479 31.237 31.823 -0.178 0.000 1.054 427 V HN 1.287 nan 8.190 nan 0.000 0.477 428 G N 4.892 113.656 108.800 -0.061 0.000 2.141 428 G HA2 -0.270 3.690 3.960 0.000 0.000 0.242 428 G HA3 -0.270 3.690 3.960 0.000 0.000 0.242 428 G C 0.332 175.208 174.900 -0.039 0.000 0.982 428 G CA -0.026 45.045 45.100 -0.048 0.000 0.662 428 G HN 0.850 nan 8.290 nan 0.000 0.527 429 N N -1.140 117.535 118.700 -0.042 0.000 2.721 429 N HA -0.206 4.535 4.740 0.000 0.000 0.249 429 N C 1.429 176.927 175.510 -0.019 0.000 1.072 429 N CA 1.800 54.837 53.050 -0.021 0.000 0.710 429 N CB -1.581 36.909 38.487 0.005 0.000 0.993 429 N HN 1.445 nan 8.380 nan 0.000 0.547 430 S N -1.218 114.451 115.700 -0.052 0.000 2.607 430 S HA 0.012 4.482 4.470 0.000 0.000 0.224 430 S C 0.744 175.325 174.600 -0.031 0.000 0.969 430 S CA 0.215 58.393 58.200 -0.036 0.000 0.927 430 S CB 0.134 63.300 63.200 -0.056 0.000 0.772 430 S HN 0.339 nan 8.310 nan 0.000 0.533 431 N N 1.661 120.311 118.700 -0.083 0.000 2.735 431 N HA -0.124 4.616 4.740 0.000 0.000 0.248 431 N C -1.627 173.774 175.510 -0.181 0.000 1.083 431 N CA 0.815 53.818 53.050 -0.079 0.000 0.703 431 N CB -2.176 36.413 38.487 0.170 0.000 1.005 431 N HN 0.519 nan 8.380 nan 0.000 0.550 432 N N 0.854 119.375 118.700 -0.298 0.000 2.462 432 N HA 0.312 5.052 4.740 0.000 0.000 0.242 432 N C -0.134 175.272 175.510 -0.172 0.000 1.010 432 N CA -0.003 52.995 53.050 -0.086 0.000 0.939 432 N CB 0.315 38.840 38.487 0.062 0.000 1.127 432 N HN 0.234 nan 8.380 nan 0.000 0.509 433 Y N 0.749 121.190 120.300 0.236 0.000 2.730 433 Y HA 0.706 5.256 4.550 0.000 0.000 0.325 433 Y C -0.211 175.820 175.900 0.219 0.000 1.132 433 Y CA -1.282 56.913 58.100 0.158 0.000 1.206 433 Y CB 1.169 39.687 38.460 0.097 0.000 1.390 433 Y HN 0.203 nan 8.280 nan 0.000 0.555 434 L N 0.789 122.183 121.223 0.286 0.000 2.676 434 L HA 0.373 4.714 4.340 0.000 0.000 0.262 434 L C -1.952 174.998 176.870 0.133 0.000 0.932 434 L CA -0.265 54.732 54.840 0.261 0.000 0.932 434 L CB 1.303 43.590 42.059 0.381 0.000 1.355 434 L HN 0.786 nan 8.230 nan 0.000 0.421 435 H N 4.355 123.441 119.070 0.027 0.000 2.529 435 H HA 0.793 5.349 4.556 0.000 0.000 0.348 435 H C -1.309 173.953 175.328 -0.110 0.000 1.152 435 H CA -0.548 55.478 56.048 -0.037 0.000 1.202 435 H CB 1.674 31.424 29.762 -0.020 0.000 1.562 435 H HN 0.639 nan 8.280 nan 0.000 0.515 436 L N 4.683 125.514 121.223 -0.654 0.000 2.408 436 L HA 0.284 4.624 4.340 0.000 0.000 0.257 436 L C -0.286 176.295 176.870 -0.483 0.000 1.053 436 L CA -0.705 53.823 54.840 -0.519 0.000 0.922 436 L CB 0.926 42.706 42.059 -0.465 0.000 1.261 436 L HN 0.614 nan 8.230 nan 0.000 0.458 437 S N 1.521 117.100 115.700 -0.202 0.000 2.523 437 S HA 0.676 5.146 4.470 0.000 0.000 0.275 437 S C -0.253 174.260 174.600 -0.145 0.000 1.281 437 S CA -0.630 57.530 58.200 -0.066 0.000 1.050 437 S CB 1.878 65.131 63.200 0.089 0.000 0.937 437 S HN 0.180 nan 8.310 nan 0.000 0.492 438 V N 3.785 123.618 119.914 -0.136 0.000 2.577 438 V HA 0.291 4.411 4.120 0.000 0.000 0.303 438 V C -0.567 175.463 176.094 -0.106 0.000 1.042 438 V CA -0.952 61.264 62.300 -0.140 0.000 0.872 438 V CB 1.534 33.253 31.823 -0.173 0.000 0.998 438 V HN 0.859 nan 8.190 nan 0.000 0.423 439 L N 4.767 125.936 121.223 -0.090 0.000 2.698 439 L HA 0.154 4.494 4.340 0.000 0.000 0.272 439 L C 0.859 177.680 176.870 -0.081 0.000 1.154 439 L CA 0.497 55.293 54.840 -0.074 0.000 0.964 439 L CB -0.600 41.421 42.059 -0.063 0.000 1.272 439 L HN 0.536 nan 8.230 nan 0.000 0.483 440 R N 3.090 123.544 120.500 -0.077 0.000 2.413 440 R HA 0.288 4.628 4.340 0.000 0.000 0.333 440 R C -0.428 175.832 176.300 -0.067 0.000 1.074 440 R CA 0.167 56.219 56.100 -0.081 0.000 0.982 440 R CB -0.423 29.837 30.300 -0.068 0.000 0.981 440 R HN 0.762 nan 8.270 nan 0.000 0.452 441 T N 0.262 114.772 114.554 -0.073 0.000 2.916 441 T HA 0.332 4.682 4.350 0.000 0.000 0.305 441 T C -0.557 174.106 174.700 -0.062 0.000 1.119 441 T CA -1.115 60.950 62.100 -0.057 0.000 1.008 441 T CB 1.190 70.027 68.868 -0.051 0.000 1.129 441 T HN 0.518 nan 8.240 nan 0.000 0.480 442 E N 2.152 122.327 120.200 -0.043 0.000 2.168 442 E HA 0.119 4.469 4.350 0.000 0.000 0.254 442 E C -0.056 176.513 176.600 -0.052 0.000 1.228 442 E CA -0.075 56.299 56.400 -0.043 0.000 0.956 442 E CB -0.088 29.602 29.700 -0.015 0.000 1.031 442 E HN 0.423 nan 8.360 nan 0.000 0.441 443 L N 3.868 125.049 121.223 -0.070 0.000 2.456 443 L HA 0.179 4.520 4.340 0.000 0.000 0.272 443 L C 0.689 177.519 176.870 -0.068 0.000 1.189 443 L CA 0.406 55.202 54.840 -0.074 0.000 0.846 443 L CB 0.258 42.272 42.059 -0.075 0.000 1.111 443 L HN 0.367 nan 8.230 nan 0.000 0.475 444 R N 2.871 123.328 120.500 -0.070 0.000 2.628 444 R HA 0.381 4.722 4.340 0.000 0.000 0.288 444 R C -2.609 173.653 176.300 -0.064 0.000 0.980 444 R CA -2.136 53.929 56.100 -0.059 0.000 0.891 444 R CB 1.472 31.746 30.300 -0.043 0.000 1.188 444 R HN 0.285 nan 8.270 nan 0.000 0.450 445 P HA -0.017 nan 4.420 nan 0.000 0.258 445 P C 0.586 177.870 177.300 -0.026 0.000 1.187 445 P CA 1.091 64.172 63.100 -0.032 0.000 0.767 445 P CB 0.468 32.161 31.700 -0.012 0.000 0.770 446 G N 2.343 111.124 108.800 -0.033 0.000 2.336 446 G HA2 -0.153 3.807 3.960 0.000 0.000 0.194 446 G HA3 -0.153 3.807 3.960 0.000 0.000 0.194 446 G C 0.252 175.129 174.900 -0.039 0.000 0.999 446 G CA -0.384 44.701 45.100 -0.025 0.000 0.669 446 G HN 0.491 nan 8.290 nan 0.000 0.482 447 E N -0.158 120.006 120.200 -0.060 0.000 3.601 447 E HA 0.599 4.950 4.350 0.000 0.000 0.273 447 E C -0.120 176.429 176.600 -0.086 0.000 1.368 447 E CA 0.158 56.519 56.400 -0.065 0.000 1.286 447 E CB 0.772 30.431 29.700 -0.068 0.000 1.383 447 E HN 0.099 nan 8.360 nan 0.000 0.746 448 T N 0.023 114.526 114.554 -0.086 0.000 2.909 448 T HA 0.490 4.840 4.350 0.000 0.000 0.299 448 T C -1.833 172.805 174.700 -0.104 0.000 1.073 448 T CA -0.719 61.324 62.100 -0.096 0.000 0.999 448 T CB 0.980 69.810 68.868 -0.064 0.000 1.098 448 T HN 0.204 nan 8.240 nan 0.000 0.477 449 L N 3.996 125.145 121.223 -0.123 0.000 2.362 449 L HA 0.727 5.067 4.340 0.000 0.000 0.271 449 L C -1.113 175.703 176.870 -0.090 0.000 1.002 449 L CA -0.493 54.281 54.840 -0.110 0.000 0.818 449 L CB 1.962 43.945 42.059 -0.126 0.000 1.298 449 L HN 0.590 nan 8.230 nan 0.000 0.420 450 N N 3.471 122.124 118.700 -0.079 0.000 2.501 450 N HA 0.383 5.123 4.740 0.000 0.000 0.245 450 N C -1.166 174.285 175.510 -0.098 0.000 0.974 450 N CA -0.266 52.742 53.050 -0.070 0.000 0.941 450 N CB 1.729 40.184 38.487 -0.053 0.000 1.122 450 N HN 0.334 nan 8.380 nan 0.000 0.507 451 V N 2.856 122.701 119.914 -0.115 0.000 2.383 451 V HA 0.294 4.414 4.120 0.000 0.000 0.275 451 V C 0.064 175.982 176.094 -0.294 0.000 1.036 451 V CA -0.781 61.377 62.300 -0.237 0.000 0.889 451 V CB 0.710 32.362 31.823 -0.285 0.000 0.985 451 V HN 0.480 nan 8.190 nan 0.000 0.459 452 N N 3.793 122.281 118.700 -0.353 0.000 2.473 452 N HA 0.544 5.284 4.740 0.000 0.000 0.291 452 N C -0.979 174.228 175.510 -0.504 0.000 1.083 452 N CA -0.339 52.559 53.050 -0.253 0.000 0.951 452 N CB 1.292 39.709 38.487 -0.117 0.000 1.164 452 N HN 0.467 nan 8.380 nan 0.000 0.480 453 F N 1.487 121.347 119.950 -0.150 0.000 2.443 453 F HA 0.302 4.830 4.527 0.000 0.000 0.369 453 F C -0.136 175.564 175.800 -0.165 0.000 1.090 453 F CA -0.873 56.968 58.000 -0.265 0.000 1.129 453 F CB 0.753 39.411 39.000 -0.571 0.000 1.367 453 F HN 0.177 nan 8.300 nan 0.000 0.465 454 L N 4.721 125.969 121.223 0.042 0.000 2.265 454 L HA 0.563 4.903 4.340 0.000 0.000 0.288 454 L C -0.987 175.951 176.870 0.113 0.000 1.058 454 L CA -0.499 54.389 54.840 0.081 0.000 0.809 454 L CB 0.678 42.791 42.059 0.089 0.000 1.179 454 L HN 0.493 nan 8.230 nan 0.000 0.429 455 L N 5.899 127.188 121.223 0.110 0.000 2.334 455 L HA 0.648 4.988 4.340 0.000 0.000 0.272 455 L C -0.661 176.275 176.870 0.110 0.000 1.020 455 L CA -0.271 54.638 54.840 0.115 0.000 0.812 455 L CB 1.368 43.470 42.059 0.071 0.000 1.264 455 L HN 0.771 nan 8.230 nan 0.000 0.439 456 R N 6.433 127.022 120.500 0.149 0.000 2.539 456 R HA 0.724 5.065 4.340 0.000 0.000 0.295 456 R C -1.687 174.713 176.300 0.167 0.000 1.138 456 R CA -0.420 55.782 56.100 0.169 0.000 0.936 456 R CB 0.845 31.291 30.300 0.244 0.000 1.182 456 R HN 0.909 nan 8.270 nan 0.000 0.459 457 M N 0.778 120.442 119.600 0.107 0.000 2.853 457 M HA 0.317 4.797 4.480 0.000 0.000 0.273 457 M C -1.662 174.678 176.300 0.068 0.000 1.128 457 M CA -1.152 54.204 55.300 0.093 0.000 0.814 457 M CB 1.369 34.013 32.600 0.073 0.000 1.667 457 M HN 0.354 nan 8.290 nan 0.000 0.519 458 D N 1.175 121.618 120.400 0.072 0.000 2.361 458 D HA 0.142 4.782 4.640 0.000 0.000 0.239 458 D C 0.601 176.918 176.300 0.029 0.000 1.200 458 D CA -0.292 53.739 54.000 0.052 0.000 0.915 458 D CB 0.551 41.386 40.800 0.058 0.000 1.170 458 D HN 0.834 nan 8.370 nan 0.000 0.444 459 R N -0.311 120.190 120.500 0.002 0.000 2.319 459 R HA 0.275 4.615 4.340 0.000 0.000 0.204 459 R C 1.297 177.552 176.300 -0.076 0.000 0.954 459 R CA 0.281 56.365 56.100 -0.027 0.000 1.066 459 R CB -0.391 29.893 30.300 -0.026 0.000 0.991 459 R HN 0.362 nan 8.270 nan 0.000 0.486 460 A N 1.136 123.901 122.820 -0.093 0.000 2.067 460 A HA -0.095 4.225 4.320 0.000 0.000 0.219 460 A C 0.810 178.019 177.584 -0.626 0.000 1.158 460 A CA 0.830 52.691 52.037 -0.292 0.000 0.661 460 A CB -0.284 18.597 19.000 -0.200 0.000 0.801 460 A HN 0.551 nan 8.150 nan 0.000 0.452 461 H N -1.979 117.077 119.070 -0.024 0.000 3.109 461 H HA 0.066 4.622 4.556 0.000 0.000 0.248 461 H C 0.861 176.153 175.328 -0.059 0.000 1.177 461 H CA 0.685 56.711 56.048 -0.037 0.000 0.977 461 H CB 0.053 29.798 29.762 -0.029 0.000 2.165 461 H HN 0.769 nan 8.280 nan 0.000 0.693 462 E N 0.955 121.159 120.200 0.007 0.000 2.285 462 E HA 0.050 4.400 4.350 0.000 0.000 0.194 462 E C 1.933 178.491 176.600 -0.070 0.000 0.997 462 E CA 1.021 57.397 56.400 -0.040 0.000 0.845 462 E CB 0.110 29.790 29.700 -0.034 0.000 0.782 462 E HN 0.208 nan 8.360 nan 0.000 0.491 463 A N 1.137 123.923 122.820 -0.055 0.000 2.119 463 A HA -0.008 4.313 4.320 0.000 0.000 0.216 463 A C 1.854 179.396 177.584 -0.070 0.000 1.152 463 A CA 0.858 52.860 52.037 -0.059 0.000 0.708 463 A CB -0.235 18.736 19.000 -0.048 0.000 0.805 463 A HN 0.167 nan 8.150 nan 0.000 0.460 464 K N -0.246 120.115 120.400 -0.064 0.000 2.296 464 K HA 0.087 4.407 4.320 0.000 0.000 0.200 464 K C -0.193 176.299 176.600 -0.181 0.000 1.048 464 K CA 0.247 56.486 56.287 -0.080 0.000 0.966 464 K CB 0.029 32.513 32.500 -0.026 0.000 0.754 464 K HN 0.313 nan 8.250 nan 0.000 0.466 465 I N 2.521 122.953 120.570 -0.229 0.000 2.372 465 I HA 0.013 4.183 4.170 0.000 0.000 0.298 465 I C 0.810 176.692 176.117 -0.392 0.000 1.137 465 I CA 0.553 61.613 61.300 -0.400 0.000 1.314 465 I CB 0.413 38.130 38.000 -0.472 0.000 1.444 465 I HN 0.059 nan 8.210 nan 0.000 0.541 466 R N 5.550 125.770 120.500 -0.465 0.000 2.404 466 R HA 0.196 4.537 4.340 0.000 0.000 0.237 466 R C -0.670 175.556 176.300 -0.123 0.000 0.907 466 R CA 0.084 56.050 56.100 -0.225 0.000 1.063 466 R CB 0.254 30.539 30.300 -0.025 0.000 1.134 466 R HN 0.659 nan 8.270 nan 0.000 0.529 467 Y N -3.317 116.807 120.300 -0.294 0.000 2.620 467 Y HA 0.518 5.068 4.550 0.000 0.000 0.331 467 Y C -1.280 174.366 175.900 -0.423 0.000 1.173 467 Y CA -2.095 55.847 58.100 -0.263 0.000 1.076 467 Y CB 0.172 38.574 38.460 -0.098 0.000 1.336 467 Y HN -0.217 nan 8.280 nan 0.000 0.459 468 Y N -0.069 120.268 120.300 0.061 0.000 2.602 468 Y HA 0.777 5.327 4.550 0.000 0.000 0.330 468 Y C -0.120 175.815 175.900 0.059 0.000 1.114 468 Y CA -1.174 56.921 58.100 -0.008 0.000 1.182 468 Y CB 2.433 40.792 38.460 -0.168 0.000 1.305 468 Y HN 0.664 nan 8.280 nan 0.000 0.502 469 T N 2.029 116.691 114.554 0.180 0.000 2.934 469 T HA 0.287 4.637 4.350 0.000 0.000 0.328 469 T C -1.428 173.450 174.700 0.298 0.000 1.068 469 T CA -0.668 61.509 62.100 0.129 0.000 1.018 469 T CB -0.626 68.215 68.868 -0.044 0.000 1.009 469 T HN 0.420 nan 8.240 nan 0.000 0.471 470 Y N 2.379 122.838 120.300 0.265 0.000 2.334 470 Y HA 0.862 5.412 4.550 0.000 0.000 0.328 470 Y C -1.261 174.805 175.900 0.276 0.000 1.130 470 Y CA -1.710 56.574 58.100 0.307 0.000 1.163 470 Y CB 0.593 39.262 38.460 0.349 0.000 1.207 470 Y HN 0.277 nan 8.280 nan 0.000 0.471 471 L N 4.884 126.319 121.223 0.354 0.000 2.381 471 L HA 0.451 4.792 4.340 0.000 0.000 0.268 471 L C -0.916 176.150 176.870 0.328 0.000 0.997 471 L CA -0.812 54.187 54.840 0.266 0.000 0.818 471 L CB 2.062 44.274 42.059 0.255 0.000 1.310 471 L HN 0.611 nan 8.230 nan 0.000 0.416 472 I N 3.678 124.421 120.570 0.288 0.000 2.307 472 I HA 0.343 4.513 4.170 0.000 0.000 0.289 472 I C -0.330 175.928 176.117 0.234 0.000 1.021 472 I CA -0.441 61.047 61.300 0.313 0.000 1.224 472 I CB 1.286 39.448 38.000 0.270 0.000 1.376 472 I HN 0.482 nan 8.210 nan 0.000 0.470 473 M N 6.166 125.931 119.600 0.276 0.000 2.144 473 M HA 0.280 4.760 4.480 0.000 0.000 0.356 473 M C -0.054 176.394 176.300 0.247 0.000 1.217 473 M CA 0.104 55.539 55.300 0.224 0.000 1.087 473 M CB 0.450 33.179 32.600 0.214 0.000 1.609 473 M HN 0.503 nan 8.290 nan 0.000 0.467 474 N N 3.077 121.879 118.700 0.170 0.000 2.533 474 N HA 0.156 4.896 4.740 0.000 0.000 0.289 474 N C -0.825 174.777 175.510 0.153 0.000 1.103 474 N CA -0.230 52.917 53.050 0.162 0.000 0.877 474 N CB 1.033 39.544 38.487 0.040 0.000 1.419 474 N HN 0.619 nan 8.380 nan 0.000 0.517 475 K N 2.326 122.847 120.400 0.201 0.000 3.035 475 K HA -0.199 4.121 4.320 0.000 0.000 0.262 475 K C 0.401 177.116 176.600 0.191 0.000 1.024 475 K CA 0.804 57.226 56.287 0.225 0.000 0.748 475 K CB -1.523 31.124 32.500 0.245 0.000 1.247 475 K HN 1.005 nan 8.250 nan 0.000 0.482 476 G N 0.414 109.306 108.800 0.153 0.000 2.248 476 G HA2 -0.338 3.623 3.960 0.000 0.000 0.263 476 G HA3 -0.338 3.623 3.960 0.000 0.000 0.263 476 G C -0.118 174.816 174.900 0.057 0.000 1.082 476 G CA 0.661 45.821 45.100 0.099 0.000 0.863 476 G HN 0.748 nan 8.290 nan 0.000 0.495 477 R N -1.750 118.793 120.500 0.071 0.000 2.756 477 R HA 0.705 5.045 4.340 0.000 0.000 0.273 477 R C -1.261 175.072 176.300 0.055 0.000 1.030 477 R CA -1.335 54.788 56.100 0.039 0.000 0.887 477 R CB 0.680 30.990 30.300 0.017 0.000 1.274 477 R HN 0.228 nan 8.270 nan 0.000 0.461 478 L N 2.799 124.043 121.223 0.035 0.000 2.259 478 L HA 0.272 4.613 4.340 0.000 0.000 0.288 478 L C 0.907 177.787 176.870 0.016 0.000 1.051 478 L CA -0.611 54.259 54.840 0.050 0.000 0.824 478 L CB 1.468 43.561 42.059 0.056 0.000 1.206 478 L HN 0.618 nan 8.230 nan 0.000 0.429 479 L N 3.452 124.678 121.223 0.004 0.000 2.068 479 L HA 0.129 4.469 4.340 0.000 0.000 0.204 479 L C 0.643 177.491 176.870 -0.037 0.000 1.076 479 L CA 1.694 56.493 54.840 -0.068 0.000 0.753 479 L CB -0.063 41.873 42.059 -0.205 0.000 0.910 479 L HN 0.579 nan 8.230 nan 0.000 0.439 480 K N -1.109 119.306 120.400 0.026 0.000 2.562 480 K HA 0.632 4.952 4.320 0.000 0.000 0.267 480 K C -2.052 174.590 176.600 0.070 0.000 0.938 480 K CA -0.266 56.056 56.287 0.058 0.000 0.840 480 K CB 1.795 34.355 32.500 0.100 0.000 1.390 480 K HN 0.016 nan 8.250 nan 0.000 0.428 481 A N 1.726 124.541 122.820 -0.009 0.000 2.437 481 A HA 0.796 5.116 4.320 0.000 0.000 0.293 481 A C -0.828 176.589 177.584 -0.278 0.000 1.038 481 A CA -0.080 51.870 52.037 -0.145 0.000 0.708 481 A CB 1.740 20.729 19.000 -0.019 0.000 1.251 481 A HN 0.848 nan 8.150 nan 0.000 0.409 482 G N 1.076 109.433 108.800 -0.740 0.000 2.911 482 G HA2 0.715 4.675 3.960 0.000 0.000 0.299 482 G HA3 0.715 4.675 3.960 0.000 0.000 0.299 482 G C -1.231 173.411 174.900 -0.430 0.000 1.283 482 G CA -0.649 44.157 45.100 -0.488 0.000 0.805 482 G HN 0.624 nan 8.290 nan 0.000 0.548 483 R N -0.681 119.804 120.500 -0.025 0.000 2.919 483 R HA 0.672 5.012 4.340 0.000 0.000 0.260 483 R C -1.322 175.153 176.300 0.292 0.000 1.067 483 R CA -0.897 55.274 56.100 0.118 0.000 1.003 483 R CB 1.660 31.970 30.300 0.016 0.000 1.192 483 R HN 0.507 nan 8.270 nan 0.000 0.488 484 Q N 1.143 121.071 119.800 0.213 0.000 2.533 484 Q HA 0.239 4.579 4.340 0.000 0.000 0.251 484 Q C -0.782 175.283 176.000 0.108 0.000 0.966 484 Q CA -0.585 55.277 55.803 0.098 0.000 0.714 484 Q CB 1.044 29.667 28.738 -0.191 0.000 1.284 484 Q HN 0.514 nan 8.270 nan 0.000 0.478 485 V N 1.448 121.417 119.914 0.093 0.000 3.061 485 V HA 0.434 4.554 4.120 0.000 0.000 0.306 485 V C -0.123 176.009 176.094 0.063 0.000 1.118 485 V CA -0.203 62.149 62.300 0.087 0.000 1.231 485 V CB 0.819 32.680 31.823 0.064 0.000 0.956 485 V HN 0.850 nan 8.190 nan 0.000 0.499 486 R N 1.875 122.395 120.500 0.033 0.000 2.522 486 R HA 0.465 4.805 4.340 0.000 0.000 0.273 486 R C -1.375 174.914 176.300 -0.017 0.000 1.133 486 R CA -0.524 55.581 56.100 0.008 0.000 0.969 486 R CB 1.852 32.135 30.300 -0.027 0.000 1.235 486 R HN 0.916 nan 8.270 nan 0.000 0.433 487 E N 4.238 124.437 120.200 -0.001 0.000 2.231 487 E HA 0.340 4.690 4.350 0.000 0.000 0.277 487 E C -2.465 174.124 176.600 -0.019 0.000 0.999 487 E CA -2.099 54.296 56.400 -0.008 0.000 0.827 487 E CB 1.208 30.910 29.700 0.004 0.000 1.101 487 E HN 0.343 nan 8.360 nan 0.000 0.393 488 P HA 0.028 nan 4.420 nan 0.000 0.258 488 P C 0.502 177.792 177.300 -0.017 0.000 1.172 488 P CA 1.065 64.146 63.100 -0.032 0.000 0.762 488 P CB 0.407 32.088 31.700 -0.032 0.000 0.764 489 G N 2.546 111.337 108.800 -0.014 0.000 2.336 489 G HA2 -0.169 3.791 3.960 0.000 0.000 0.194 489 G HA3 -0.169 3.791 3.960 0.000 0.000 0.194 489 G C -0.064 174.840 174.900 0.007 0.000 0.999 489 G CA -0.537 44.560 45.100 -0.004 0.000 0.669 489 G HN 0.537 nan 8.290 nan 0.000 0.482 490 Q N 1.056 120.864 119.800 0.012 0.000 2.361 490 Q HA 0.411 4.752 4.340 0.000 0.000 0.250 490 Q C -0.041 175.985 176.000 0.044 0.000 1.023 490 Q CA -0.424 55.397 55.803 0.030 0.000 0.915 490 Q CB 1.078 29.840 28.738 0.040 0.000 1.238 490 Q HN 0.195 nan 8.270 nan 0.000 0.451 491 D N 1.286 121.711 120.400 0.041 0.000 2.333 491 D HA 0.045 4.685 4.640 0.000 0.000 0.208 491 D C -0.359 175.980 176.300 0.066 0.000 0.984 491 D CA 0.609 54.638 54.000 0.049 0.000 0.873 491 D CB 0.481 41.302 40.800 0.035 0.000 0.935 491 D HN 0.216 nan 8.370 nan 0.000 0.521 492 L N 0.793 122.055 121.223 0.065 0.000 2.516 492 L HA 0.355 4.695 4.340 0.000 0.000 0.267 492 L C -0.987 175.933 176.870 0.083 0.000 0.957 492 L CA -1.038 53.845 54.840 0.072 0.000 0.860 492 L CB 1.825 43.911 42.059 0.045 0.000 1.265 492 L HN -0.150 nan 8.230 nan 0.000 0.403 493 V N 2.596 122.584 119.914 0.123 0.000 3.019 493 V HA 0.901 5.021 4.120 0.000 0.000 0.317 493 V C -0.876 175.324 176.094 0.175 0.000 1.094 493 V CA -0.774 61.602 62.300 0.126 0.000 1.000 493 V CB 2.007 33.897 31.823 0.112 0.000 1.060 493 V HN 0.458 nan 8.190 nan 0.000 0.443 494 V N 2.691 122.683 119.914 0.130 0.000 2.604 494 V HA 0.559 4.679 4.120 0.000 0.000 0.305 494 V C -0.670 175.497 176.094 0.122 0.000 1.043 494 V CA -0.473 61.897 62.300 0.117 0.000 0.888 494 V CB 1.565 33.417 31.823 0.048 0.000 0.995 494 V HN 0.885 nan 8.190 nan 0.000 0.429 495 L N 7.637 128.944 121.223 0.139 0.000 2.295 495 L HA 0.643 4.983 4.340 0.000 0.000 0.281 495 L C -2.514 174.348 176.870 -0.013 0.000 1.018 495 L CA -1.918 52.965 54.840 0.072 0.000 0.841 495 L CB 1.578 43.725 42.059 0.147 0.000 1.218 495 L HN 0.381 nan 8.230 nan 0.000 0.424 496 P HA 0.103 nan 4.420 nan 0.000 0.264 496 P C -0.913 176.359 177.300 -0.045 0.000 1.537 496 P CA -0.130 62.953 63.100 -0.027 0.000 1.189 496 P CB 0.052 31.747 31.700 -0.008 0.000 1.687 497 L N 2.792 123.969 121.223 -0.077 0.000 2.276 497 L HA 0.334 4.675 4.340 0.000 0.000 0.286 497 L C -0.002 176.794 176.870 -0.123 0.000 1.061 497 L CA 0.207 54.987 54.840 -0.100 0.000 0.807 497 L CB 0.834 42.808 42.059 -0.141 0.000 1.177 497 L HN 0.025 nan 8.230 nan 0.000 0.429 498 S N 6.605 122.256 115.700 -0.082 0.000 2.404 498 S HA 0.477 4.948 4.470 0.000 0.000 0.309 498 S C -0.100 174.410 174.600 -0.150 0.000 1.076 498 S CA -0.564 57.588 58.200 -0.080 0.000 1.095 498 S CB 0.189 63.389 63.200 0.000 0.000 0.972 498 S HN 0.385 nan 8.310 nan 0.000 0.484 499 I N 4.692 125.076 120.570 -0.309 0.000 2.452 499 I HA 0.137 4.307 4.170 0.000 0.000 0.287 499 I C 1.450 177.520 176.117 -0.077 0.000 1.079 499 I CA 0.191 61.187 61.300 -0.507 0.000 1.387 499 I CB -0.178 37.517 38.000 -0.509 0.000 1.404 499 I HN 0.625 nan 8.210 nan 0.000 0.522 500 T N 1.654 116.357 114.554 0.248 0.000 2.850 500 T HA 0.280 4.630 4.350 0.000 0.000 0.269 500 T C 1.138 175.936 174.700 0.164 0.000 1.075 500 T CA 0.276 62.490 62.100 0.191 0.000 0.987 500 T CB 0.772 69.742 68.868 0.171 0.000 1.889 500 T HN 0.586 nan 8.240 nan 0.000 0.584 501 T N -2.334 112.275 114.554 0.092 0.000 3.086 501 T HA 0.193 4.543 4.350 0.000 0.000 0.250 501 T C 0.628 175.348 174.700 0.034 0.000 1.074 501 T CA 0.030 62.161 62.100 0.052 0.000 0.988 501 T CB -0.294 68.598 68.868 0.040 0.000 0.988 501 T HN 0.415 nan 8.240 nan 0.000 0.530 502 D N 1.149 121.546 120.400 -0.004 0.000 2.162 502 D HA 0.136 4.776 4.640 0.000 0.000 0.205 502 D C 1.399 177.623 176.300 -0.126 0.000 0.964 502 D CA 0.406 54.343 54.000 -0.106 0.000 0.847 502 D CB -0.495 40.156 40.800 -0.249 0.000 0.988 502 D HN 0.423 nan 8.370 nan 0.000 0.480 503 F N 1.431 121.320 119.950 -0.101 0.000 2.236 503 F HA -0.083 4.444 4.527 0.000 0.000 0.302 503 F C 1.218 176.999 175.800 -0.032 0.000 1.073 503 F CA 0.291 58.227 58.000 -0.107 0.000 1.336 503 F CB -0.666 38.135 39.000 -0.332 0.000 1.040 503 F HN -0.116 nan 8.300 nan 0.000 0.507 504 I N 1.949 122.535 120.570 0.028 0.000 2.752 504 I HA -0.102 4.068 4.170 0.000 0.000 0.289 504 I C -1.389 174.571 176.117 -0.262 0.000 1.197 504 I CA -1.168 59.993 61.300 -0.231 0.000 1.432 504 I CB 0.326 38.051 38.000 -0.457 0.000 1.359 504 I HN -0.116 nan 8.210 nan 0.000 0.571 505 P HA -0.023 nan 4.420 nan 0.000 0.211 505 P C 0.021 177.312 177.300 -0.015 0.000 1.188 505 P CA 0.608 63.550 63.100 -0.263 0.000 0.904 505 P CB 0.195 31.826 31.700 -0.114 0.000 0.765 506 S N -0.694 115.079 115.700 0.122 0.000 2.704 506 S HA 0.755 5.225 4.470 0.000 0.000 0.305 506 S C -0.731 174.056 174.600 0.313 0.000 1.107 506 S CA -0.721 57.556 58.200 0.128 0.000 0.993 506 S CB 1.011 64.316 63.200 0.175 0.000 1.110 506 S HN 0.162 nan 8.310 nan 0.000 0.534 507 F N -1.854 118.125 119.950 0.049 0.000 2.641 507 F HA 0.749 5.276 4.527 0.000 0.000 0.308 507 F C -0.894 174.986 175.800 0.133 0.000 1.105 507 F CA -1.194 56.902 58.000 0.159 0.000 0.964 507 F CB 1.264 40.446 39.000 0.304 0.000 1.294 507 F HN 0.610 nan 8.300 nan 0.000 0.442 508 R N 2.579 123.224 120.500 0.241 0.000 2.668 508 R HA 0.712 5.052 4.340 0.000 0.000 0.279 508 R C -1.656 174.785 176.300 0.235 0.000 0.976 508 R CA -1.217 54.970 56.100 0.144 0.000 0.978 508 R CB 2.125 32.544 30.300 0.198 0.000 1.133 508 R HN 0.752 nan 8.270 nan 0.000 0.484 509 L N 3.789 125.095 121.223 0.138 0.000 2.372 509 L HA 0.411 4.751 4.340 0.000 0.000 0.274 509 L C -1.130 175.816 176.870 0.125 0.000 0.988 509 L CA -0.700 54.258 54.840 0.197 0.000 0.833 509 L CB 1.757 43.918 42.059 0.170 0.000 1.236 509 L HN 0.496 nan 8.230 nan 0.000 0.410 510 V N 2.594 122.613 119.914 0.176 0.000 2.384 510 V HA 0.952 5.072 4.120 0.000 0.000 0.287 510 V C -0.052 176.182 176.094 0.233 0.000 1.020 510 V CA -0.510 61.851 62.300 0.101 0.000 0.850 510 V CB 1.089 32.915 31.823 0.004 0.000 0.987 510 V HN 0.887 nan 8.190 nan 0.000 0.436 511 A N 5.343 128.297 122.820 0.223 0.000 2.356 511 A HA 0.956 5.276 4.320 0.000 0.000 0.310 511 A C -1.011 176.794 177.584 0.367 0.000 1.075 511 A CA -0.667 51.603 52.037 0.389 0.000 0.746 511 A CB 1.472 20.805 19.000 0.556 0.000 1.221 511 A HN 1.825 nan 8.150 nan 0.000 0.443 512 Y N 0.306 120.767 120.300 0.269 0.000 2.581 512 Y HA 0.814 5.364 4.550 0.000 0.000 0.345 512 Y C -1.282 174.770 175.900 0.253 0.000 1.036 512 Y CA -1.755 56.437 58.100 0.155 0.000 1.042 512 Y CB 1.148 39.637 38.460 0.047 0.000 1.289 512 Y HN 0.917 nan 8.280 nan 0.000 0.471 513 Y N -0.625 119.691 120.300 0.026 0.000 2.524 513 Y HA 0.766 5.316 4.550 0.000 0.000 0.347 513 Y C -0.989 174.834 175.900 -0.128 0.000 1.005 513 Y CA -1.221 56.748 58.100 -0.219 0.000 1.025 513 Y CB 1.784 40.108 38.460 -0.227 0.000 1.275 513 Y HN 0.914 nan 8.280 nan 0.000 0.460 514 T N 4.997 119.479 114.554 -0.120 0.000 2.887 514 T HA 0.833 5.184 4.350 0.000 0.000 0.288 514 T C -1.110 173.517 174.700 -0.121 0.000 1.021 514 T CA -0.515 61.497 62.100 -0.146 0.000 1.000 514 T CB 0.798 69.504 68.868 -0.271 0.000 1.034 514 T HN 1.093 nan 8.240 nan 0.000 0.467 515 L N 0.947 122.117 121.223 -0.090 0.000 2.933 515 L HA 0.768 5.108 4.340 0.000 0.000 0.271 515 L C -1.921 174.891 176.870 -0.097 0.000 1.071 515 L CA -1.401 53.392 54.840 -0.079 0.000 0.938 515 L CB 1.527 43.560 42.059 -0.043 0.000 1.534 515 L HN 0.459 nan 8.230 nan 0.000 0.396 516 I N 1.764 122.278 120.570 -0.094 0.000 2.412 516 I HA 0.691 4.861 4.170 0.000 0.000 0.279 516 I C 0.677 176.639 176.117 -0.259 0.000 1.063 516 I CA 0.260 61.487 61.300 -0.123 0.000 1.193 516 I CB 0.841 38.803 38.000 -0.063 0.000 1.370 516 I HN 0.762 nan 8.210 nan 0.000 0.479 517 G N 2.783 111.365 108.800 -0.364 0.000 2.642 517 G HA2 0.724 4.684 3.960 0.000 0.000 0.291 517 G HA3 0.724 4.684 3.960 0.000 0.000 0.291 517 G C 0.466 175.132 174.900 -0.390 0.000 1.345 517 G CA -0.031 44.651 45.100 -0.697 0.000 1.043 517 G HN 0.815 nan 8.290 nan 0.000 0.528 518 A N -0.674 121.963 122.820 -0.304 0.000 5.093 518 A HA -0.191 4.129 4.320 0.000 0.000 0.329 518 A C 1.291 178.848 177.584 -0.045 0.000 1.836 518 A CA 2.288 54.266 52.037 -0.100 0.000 0.707 518 A CB -1.712 17.236 19.000 -0.087 0.000 1.389 518 A HN 2.288 nan 8.150 nan 0.000 0.383 519 S N -0.157 115.515 115.700 -0.047 0.000 2.279 519 S HA 0.542 5.013 4.470 0.000 0.000 0.176 519 S C 0.781 175.363 174.600 -0.030 0.000 1.554 519 S CA 1.100 59.288 58.200 -0.019 0.000 1.242 519 S CB -0.173 63.023 63.200 -0.007 0.000 1.163 519 S HN 2.708 nan 8.310 nan 0.000 0.449 520 G N 2.809 111.587 108.800 -0.036 0.000 2.168 520 G HA2 -0.277 3.684 3.960 0.000 0.000 0.257 520 G HA3 -0.277 3.684 3.960 0.000 0.000 0.257 520 G C -0.040 174.828 174.900 -0.053 0.000 0.997 520 G CA 0.763 45.841 45.100 -0.037 0.000 0.708 520 G HN 0.740 nan 8.290 nan 0.000 0.520 521 Q N -0.455 119.300 119.800 -0.074 0.000 2.274 521 Q HA 0.555 4.895 4.340 0.000 0.000 0.256 521 Q C 0.414 176.352 176.000 -0.104 0.000 0.927 521 Q CA -1.012 54.741 55.803 -0.082 0.000 0.939 521 Q CB 0.565 29.253 28.738 -0.084 0.000 1.201 521 Q HN 0.252 nan 8.270 nan 0.000 0.426 522 R N 3.222 123.665 120.500 -0.095 0.000 2.248 522 R HA 0.124 4.464 4.340 0.000 0.000 0.328 522 R C -1.046 175.163 176.300 -0.153 0.000 1.067 522 R CA 0.135 56.169 56.100 -0.109 0.000 0.924 522 R CB 0.595 30.847 30.300 -0.081 0.000 1.013 522 R HN 0.681 nan 8.270 nan 0.000 0.454 523 E N 3.056 123.150 120.200 -0.177 0.000 2.195 523 E HA 0.456 4.806 4.350 0.000 0.000 0.271 523 E C -1.329 175.097 176.600 -0.291 0.000 0.923 523 E CA -0.990 55.265 56.400 -0.243 0.000 0.790 523 E CB 1.506 31.089 29.700 -0.195 0.000 1.155 523 E HN 0.362 nan 8.360 nan 0.000 0.402 524 V N 4.274 123.913 119.914 -0.459 0.000 2.531 524 V HA 0.381 4.501 4.120 0.000 0.000 0.301 524 V C -0.759 175.098 176.094 -0.395 0.000 1.034 524 V CA -0.762 61.267 62.300 -0.452 0.000 0.865 524 V CB 1.742 33.230 31.823 -0.557 0.000 0.995 524 V HN 0.495 nan 8.190 nan 0.000 0.424 525 V N 3.970 123.638 119.914 -0.411 0.000 2.483 525 V HA 0.920 5.040 4.120 0.000 0.000 0.297 525 V C 0.199 176.149 176.094 -0.240 0.000 1.027 525 V CA -0.205 61.904 62.300 -0.318 0.000 0.855 525 V CB 1.566 33.074 31.823 -0.525 0.000 0.995 525 V HN 1.042 nan 8.190 nan 0.000 0.424 526 A N 3.512 126.325 122.820 -0.012 0.000 2.437 526 A HA 1.008 5.328 4.320 0.000 0.000 0.288 526 A C -1.378 176.139 177.584 -0.112 0.000 1.201 526 A CA -0.488 51.524 52.037 -0.042 0.000 0.795 526 A CB 2.076 20.927 19.000 -0.247 0.000 1.359 526 A HN 0.758 nan 8.150 nan 0.000 0.435 527 D N -1.364 118.959 120.400 -0.128 0.000 2.745 527 D HA 0.494 5.134 4.640 0.000 0.000 0.221 527 D C -0.931 175.293 176.300 -0.127 0.000 1.237 527 D CA 0.377 54.292 54.000 -0.142 0.000 0.781 527 D CB 1.698 42.423 40.800 -0.126 0.000 1.575 527 D HN 0.828 nan 8.370 nan 0.000 0.482 528 S N 0.846 116.475 115.700 -0.118 0.000 2.600 528 S HA 0.880 5.350 4.470 0.000 0.000 0.300 528 S C -1.140 173.417 174.600 -0.072 0.000 1.087 528 S CA -0.789 57.365 58.200 -0.077 0.000 0.965 528 S CB 2.012 65.179 63.200 -0.055 0.000 1.089 528 S HN 0.797 nan 8.310 nan 0.000 0.496 529 V N 1.751 121.634 119.914 -0.051 0.000 2.752 529 V HA 0.601 4.721 4.120 0.000 0.000 0.302 529 V C -2.183 173.891 176.094 -0.033 0.000 1.133 529 V CA -0.608 61.652 62.300 -0.066 0.000 0.919 529 V CB 1.598 33.319 31.823 -0.171 0.000 1.026 529 V HN 1.073 nan 8.190 nan 0.000 0.429 530 W N 7.267 128.461 121.300 -0.177 0.000 2.361 530 W HA 0.746 5.406 4.660 0.000 0.000 0.309 530 W C -1.232 175.111 176.519 -0.295 0.000 1.122 530 W CA -0.400 56.817 57.345 -0.214 0.000 1.208 530 W CB 1.510 30.894 29.460 -0.127 0.000 1.246 530 W HN 0.516 nan 8.180 nan 0.000 0.490 531 V N 6.593 125.804 119.914 -1.171 0.000 2.588 531 V HA 0.194 4.314 4.120 0.000 0.000 0.304 531 V C -0.740 174.561 176.094 -1.322 0.000 1.042 531 V CA -0.846 60.728 62.300 -1.209 0.000 0.877 531 V CB 1.674 32.872 31.823 -1.042 0.000 0.996 531 V HN 0.521 nan 8.190 nan 0.000 0.425 532 D N 2.872 122.629 120.400 -1.073 0.000 2.175 532 D HA 0.624 5.264 4.640 0.000 0.000 0.248 532 D C -0.717 175.406 176.300 -0.295 0.000 1.047 532 D CA -0.144 53.457 54.000 -0.665 0.000 0.883 532 D CB 1.881 42.333 40.800 -0.579 0.000 1.180 532 D HN 0.306 nan 8.370 nan 0.000 0.438 533 V N 2.693 122.522 119.914 -0.140 0.000 2.769 533 V HA 0.300 4.420 4.120 0.000 0.000 0.312 533 V C -0.028 176.003 176.094 -0.105 0.000 1.058 533 V CA -1.143 61.112 62.300 -0.075 0.000 0.952 533 V CB 1.666 33.491 31.823 0.004 0.000 1.019 533 V HN 0.532 nan 8.190 nan 0.000 0.445 534 K N 2.753 123.099 120.400 -0.091 0.000 2.367 534 K HA -0.037 4.283 4.320 0.000 0.000 0.275 534 K C -0.335 176.178 176.600 -0.145 0.000 1.125 534 K CA 0.368 56.603 56.287 -0.087 0.000 1.133 534 K CB -0.828 31.636 32.500 -0.060 0.000 0.875 534 K HN 0.551 nan 8.250 nan 0.000 0.467 535 D N 2.735 123.034 120.400 -0.168 0.000 2.412 535 D HA 0.053 4.693 4.640 0.000 0.000 0.257 535 D C -0.167 176.009 176.300 -0.207 0.000 1.217 535 D CA 0.428 54.236 54.000 -0.320 0.000 0.897 535 D CB 0.379 41.045 40.800 -0.224 0.000 1.132 535 D HN 0.619 nan 8.370 nan 0.000 0.493 536 S N 0.627 116.172 115.700 -0.259 0.000 2.688 536 S HA 0.437 4.907 4.470 0.000 0.000 0.275 536 S C -0.411 174.294 174.600 0.176 0.000 1.175 536 S CA -0.985 57.216 58.200 0.003 0.000 0.818 536 S CB 0.598 63.791 63.200 -0.012 0.000 1.157 536 S HN 0.449 nan 8.310 nan 0.000 0.482 537 C N 1.773 121.200 119.300 0.210 0.000 2.657 537 C HA 0.247 4.708 4.460 0.000 0.000 0.420 537 C C 2.414 177.525 174.990 0.203 0.000 1.323 537 C CA -0.384 58.781 59.018 0.244 0.000 1.894 537 C CB -0.326 27.483 27.740 0.114 0.000 2.681 537 C HN 0.675 nan 8.230 nan 0.000 0.613 538 V N 3.452 123.523 119.914 0.263 0.000 2.287 538 V HA -0.084 4.037 4.120 0.000 0.000 0.248 538 V C 1.873 178.025 176.094 0.097 0.000 1.053 538 V CA 2.618 65.028 62.300 0.183 0.000 1.027 538 V CB -1.223 30.711 31.823 0.186 0.000 0.646 538 V HN 1.132 nan 8.190 nan 0.000 0.447 539 G N -1.107 107.738 108.800 0.076 0.000 2.930 539 G HA2 0.499 4.459 3.960 0.000 0.000 0.209 539 G HA3 0.499 4.459 3.960 0.000 0.000 0.209 539 G C -0.100 174.826 174.900 0.042 0.000 2.018 539 G CA 0.719 45.850 45.100 0.050 0.000 0.751 539 G HN 0.780 nan 8.290 nan 0.000 0.770 540 S N -1.683 114.036 115.700 0.032 0.000 2.586 540 S HA 0.567 5.037 4.470 0.000 0.000 0.277 540 S C -1.945 172.664 174.600 0.015 0.000 1.131 540 S CA -0.604 57.611 58.200 0.025 0.000 0.848 540 S CB 1.826 65.040 63.200 0.023 0.000 1.091 540 S HN 1.340 nan 8.310 nan 0.000 0.453 541 L N 1.618 122.847 121.223 0.010 0.000 2.753 541 L HA 0.696 5.036 4.340 0.000 0.000 0.259 541 L C -1.952 174.920 176.870 0.003 0.000 0.958 541 L CA -0.084 54.758 54.840 0.003 0.000 0.955 541 L CB 1.465 43.518 42.059 -0.010 0.000 1.317 541 L HN 0.809 nan 8.230 nan 0.000 0.436 542 V N 4.808 124.726 119.914 0.006 0.000 2.680 542 V HA 0.715 4.835 4.120 0.000 0.000 0.309 542 V C -0.665 175.433 176.094 0.006 0.000 1.052 542 V CA -0.749 61.554 62.300 0.006 0.000 0.908 542 V CB 2.242 34.070 31.823 0.007 0.000 1.001 542 V HN 0.381 nan 8.190 nan 0.000 0.431 543 V N 5.312 125.229 119.914 0.006 0.000 2.357 543 V HA 0.440 4.560 4.120 0.000 0.000 0.281 543 V C 0.018 176.116 176.094 0.008 0.000 1.015 543 V CA -0.712 61.592 62.300 0.008 0.000 0.827 543 V CB 1.199 33.027 31.823 0.009 0.000 1.018 543 V HN 1.022 nan 8.190 nan 0.000 0.432 544 K N 1.944 122.349 120.400 0.008 0.000 2.354 544 K HA 0.785 5.105 4.320 0.000 0.000 0.238 544 K C -0.006 176.600 176.600 0.010 0.000 1.068 544 K CA -0.696 55.596 56.287 0.008 0.000 0.925 544 K CB 1.623 34.128 32.500 0.007 0.000 1.286 544 K HN 0.361 nan 8.250 nan 0.000 0.500 545 S N -1.290 114.416 115.700 0.010 0.000 2.565 545 S HA 0.277 4.747 4.470 0.000 0.000 0.274 545 S C 0.869 175.475 174.600 0.010 0.000 1.309 545 S CA -0.290 57.916 58.200 0.011 0.000 1.043 545 S CB 0.578 63.785 63.200 0.011 0.000 0.939 545 S HN 0.720 nan 8.310 nan 0.000 0.504 546 G N 2.680 111.486 108.800 0.010 0.000 2.683 546 G HA2 0.087 4.047 3.960 0.000 0.000 0.213 546 G HA3 0.087 4.047 3.960 0.000 0.000 0.213 546 G C 0.510 175.415 174.900 0.008 0.000 1.142 546 G CA 0.037 45.143 45.100 0.009 0.000 0.793 546 G HN 0.611 nan 8.290 nan 0.000 0.534 547 Q N 0.761 120.566 119.800 0.008 0.000 2.417 547 Q HA 0.338 4.679 4.340 0.000 0.000 0.241 547 Q C 0.963 176.967 176.000 0.007 0.000 1.008 547 Q CA 0.082 55.889 55.803 0.007 0.000 0.901 547 Q CB 1.014 29.757 28.738 0.008 0.000 1.259 547 Q HN 0.207 nan 8.270 nan 0.000 0.489 548 S N 1.236 116.939 115.700 0.006 0.000 3.697 548 S HA 0.128 4.598 4.470 0.000 0.000 0.207 548 S C 0.564 175.168 174.600 0.006 0.000 1.459 548 S CA 0.259 58.462 58.200 0.005 0.000 1.122 548 S CB -0.347 62.855 63.200 0.005 0.000 1.311 548 S HN 0.795 nan 8.310 nan 0.000 0.487 549 E N 0.866 121.070 120.200 0.007 0.000 3.871 549 E HA -0.450 3.900 4.350 0.000 0.000 0.238 549 E C 0.115 176.719 176.600 0.008 0.000 1.237 549 E CA 1.981 58.386 56.400 0.007 0.000 2.074 549 E CB -1.951 27.753 29.700 0.007 0.000 1.805 549 E HN 0.590 nan 8.360 nan 0.000 0.314 550 D N 0.030 120.434 120.400 0.006 0.000 3.393 550 D HA -0.243 4.397 4.640 0.000 0.000 0.178 550 D C 0.750 177.054 176.300 0.007 0.000 1.201 550 D CA 2.464 56.468 54.000 0.006 0.000 1.086 550 D CB -1.047 39.756 40.800 0.005 0.000 0.568 550 D HN 0.717 nan 8.370 nan 0.000 0.637 551 R N 0.337 120.841 120.500 0.007 0.000 3.067 551 R HA 0.635 4.975 4.340 0.000 0.000 0.222 551 R C -0.145 176.161 176.300 0.010 0.000 1.551 551 R CA -0.857 55.248 56.100 0.008 0.000 1.034 551 R CB 0.399 30.702 30.300 0.005 0.000 1.889 551 R HN 0.378 nan 8.270 nan 0.000 0.526 552 Q N 0.815 120.622 119.800 0.011 0.000 2.259 552 Q HA 0.331 4.671 4.340 0.000 0.000 0.249 552 Q C -2.091 173.914 176.000 0.008 0.000 0.914 552 Q CA -1.973 53.838 55.803 0.015 0.000 0.904 552 Q CB 1.061 29.812 28.738 0.021 0.000 1.213 552 Q HN 0.391 nan 8.270 nan 0.000 0.428 553 P HA -0.001 nan 4.420 nan 0.000 0.271 553 P C -1.070 176.229 177.300 -0.001 0.000 1.238 553 P CA -0.171 62.932 63.100 0.006 0.000 0.794 553 P CB 0.506 32.213 31.700 0.011 0.000 0.959 554 V N 2.167 122.078 119.914 -0.005 0.000 2.555 554 V HA 0.294 4.414 4.120 0.000 0.000 0.302 554 V C -2.231 173.856 176.094 -0.011 0.000 1.038 554 V CA -1.952 60.340 62.300 -0.013 0.000 0.887 554 V CB 1.377 33.191 31.823 -0.015 0.000 0.991 554 V HN 0.510 nan 8.190 nan 0.000 0.434 555 P HA 0.167 nan 4.420 nan 0.000 0.253 555 P C 0.666 177.961 177.300 -0.008 0.000 1.170 555 P CA 1.353 64.446 63.100 -0.011 0.000 0.806 555 P CB -0.106 31.581 31.700 -0.021 0.000 0.775 556 G N 1.719 110.518 108.800 -0.003 0.000 2.226 556 G HA2 -0.169 3.792 3.960 0.000 0.000 0.176 556 G HA3 -0.169 3.792 3.960 0.000 0.000 0.176 556 G C -0.392 174.507 174.900 -0.002 0.000 1.042 556 G CA -0.551 44.547 45.100 -0.002 0.000 0.732 556 G HN 0.639 nan 8.290 nan 0.000 0.494 557 Q N -0.439 119.362 119.800 0.001 0.000 2.394 557 Q HA 0.583 4.923 4.340 0.000 0.000 0.273 557 Q C -0.109 175.893 176.000 0.004 0.000 1.089 557 Q CA -0.802 55.001 55.803 0.001 0.000 0.812 557 Q CB 1.358 30.096 28.738 0.000 0.000 1.353 557 Q HN 0.451 nan 8.270 nan 0.000 0.438 558 Q N 2.803 122.605 119.800 0.003 0.000 2.293 558 Q HA 0.449 4.789 4.340 0.000 0.000 0.251 558 Q C -0.553 175.450 176.000 0.006 0.000 0.930 558 Q CA 0.007 55.813 55.803 0.005 0.000 0.893 558 Q CB 1.286 30.026 28.738 0.004 0.000 1.215 558 Q HN 0.580 nan 8.270 nan 0.000 0.425 559 M N -1.156 118.449 119.600 0.008 0.000 2.378 559 M HA 0.480 4.961 4.480 0.000 0.000 0.289 559 M C -1.087 175.219 176.300 0.009 0.000 1.136 559 M CA -0.872 54.433 55.300 0.009 0.000 0.917 559 M CB 2.081 34.688 32.600 0.011 0.000 1.669 559 M HN 0.190 nan 8.290 nan 0.000 0.461 560 T N 3.522 118.082 114.554 0.009 0.000 2.814 560 T HA 0.427 4.777 4.350 0.000 0.000 0.297 560 T C -0.660 174.047 174.700 0.011 0.000 0.956 560 T CA -0.241 61.864 62.100 0.009 0.000 1.123 560 T CB 0.544 69.417 68.868 0.008 0.000 0.902 560 T HN 0.542 nan 8.240 nan 0.000 0.528 561 L N 4.708 125.938 121.223 0.011 0.000 2.313 561 L HA 0.410 4.750 4.340 0.000 0.000 0.273 561 L C 0.137 177.014 176.870 0.012 0.000 1.028 561 L CA -0.448 54.399 54.840 0.012 0.000 0.871 561 L CB 0.507 42.574 42.059 0.014 0.000 1.242 561 L HN 0.466 nan 8.230 nan 0.000 0.434 562 K N 5.061 125.468 120.400 0.011 0.000 2.350 562 K HA 0.404 4.724 4.320 0.000 0.000 0.279 562 K C -0.989 175.618 176.600 0.012 0.000 1.027 562 K CA -0.131 56.162 56.287 0.011 0.000 0.969 562 K CB 0.501 33.007 32.500 0.011 0.000 0.954 562 K HN 0.663 nan 8.250 nan 0.000 0.474 563 I N 4.563 125.140 120.570 0.012 0.000 2.448 563 I HA 0.130 4.300 4.170 0.000 0.000 0.281 563 I C -0.676 175.450 176.117 0.014 0.000 1.027 563 I CA -0.481 60.826 61.300 0.012 0.000 1.111 563 I CB 1.796 39.803 38.000 0.011 0.000 1.236 563 I HN 0.599 nan 8.210 nan 0.000 0.452 564 E N 5.507 125.715 120.200 0.013 0.000 2.079 564 E HA 0.420 4.770 4.350 0.000 0.000 0.252 564 E C 0.259 176.869 176.600 0.017 0.000 0.992 564 E CA -0.325 56.085 56.400 0.016 0.000 0.829 564 E CB 1.432 31.141 29.700 0.015 0.000 1.158 564 E HN 0.771 nan 8.360 nan 0.000 0.435 565 G N 1.908 110.719 108.800 0.020 0.000 3.108 565 G HA2 0.251 4.211 3.960 0.000 0.000 0.268 565 G HA3 0.251 4.211 3.960 0.000 0.000 0.268 565 G C -0.592 174.326 174.900 0.031 0.000 1.361 565 G CA -0.643 44.468 45.100 0.018 0.000 1.047 565 G HN 0.217 nan 8.290 nan 0.000 0.540 566 D N -0.525 119.892 120.400 0.029 0.000 2.313 566 D HA 0.311 4.951 4.640 0.000 0.000 0.247 566 D C 0.045 176.386 176.300 0.067 0.000 1.094 566 D CA 0.057 54.088 54.000 0.052 0.000 0.925 566 D CB 1.172 41.996 40.800 0.040 0.000 1.188 566 D HN 0.399 nan 8.370 nan 0.000 0.430 567 H N -0.562 118.513 119.070 0.008 0.000 2.707 567 H HA 0.359 4.915 4.556 0.000 0.000 0.359 567 H C 1.368 176.702 175.328 0.010 0.000 1.113 567 H CA 1.056 57.109 56.048 0.009 0.000 1.422 567 H CB 0.565 30.332 29.762 0.009 0.000 1.443 567 H HN 0.555 nan 8.280 nan 0.000 0.591 568 G N 2.215 110.594 108.800 -0.702 0.000 2.166 568 G HA2 -0.238 3.722 3.960 0.000 0.000 0.260 568 G HA3 -0.238 3.722 3.960 0.000 0.000 0.260 568 G C 0.134 174.937 174.900 -0.162 0.000 0.986 568 G CA 0.449 45.298 45.100 -0.419 0.000 0.683 568 G HN 0.928 nan 8.290 nan 0.000 0.527 569 A N -0.316 122.434 122.820 -0.116 0.000 2.305 569 A HA 0.808 5.128 4.320 0.000 0.000 0.322 569 A C 0.464 178.023 177.584 -0.041 0.000 1.187 569 A CA -0.111 51.896 52.037 -0.051 0.000 0.825 569 A CB 0.685 19.670 19.000 -0.025 0.000 1.164 569 A HN 0.711 nan 8.150 nan 0.000 0.498 570 R N 2.517 123.006 120.500 -0.017 0.000 2.221 570 R HA 0.501 4.841 4.340 0.000 0.000 0.327 570 R C -1.471 174.838 176.300 0.015 0.000 1.033 570 R CA -0.201 55.898 56.100 -0.002 0.000 0.887 570 R CB 0.593 30.900 30.300 0.013 0.000 1.057 570 R HN 0.445 nan 8.270 nan 0.000 0.455 571 V N 6.367 126.288 119.914 0.012 0.000 2.394 571 V HA 0.259 4.379 4.120 0.000 0.000 0.282 571 V C -0.106 176.009 176.094 0.035 0.000 1.031 571 V CA -0.737 61.574 62.300 0.019 0.000 0.881 571 V CB 1.482 33.310 31.823 0.009 0.000 0.982 571 V HN 0.627 nan 8.190 nan 0.000 0.451 572 V N 4.684 124.635 119.914 0.061 0.000 2.398 572 V HA 0.673 4.793 4.120 0.000 0.000 0.286 572 V C -0.334 175.799 176.094 0.065 0.000 1.026 572 V CA -0.571 61.772 62.300 0.071 0.000 0.868 572 V CB 1.151 33.044 31.823 0.118 0.000 0.982 572 V HN 0.636 nan 8.190 nan 0.000 0.443 573 L N 4.614 125.865 121.223 0.048 0.000 2.365 573 L HA 0.896 5.236 4.340 0.000 0.000 0.267 573 L C -0.248 176.654 176.870 0.053 0.000 1.033 573 L CA -1.076 53.791 54.840 0.045 0.000 0.802 573 L CB 1.955 44.034 42.059 0.033 0.000 1.267 573 L HN 0.639 nan 8.230 nan 0.000 0.457 574 V N 0.707 120.655 119.914 0.057 0.000 2.812 574 V HA 0.568 4.688 4.120 0.000 0.000 0.280 574 V C -1.192 174.945 176.094 0.073 0.000 1.324 574 V CA -0.312 62.026 62.300 0.064 0.000 0.933 574 V CB 1.574 33.445 31.823 0.080 0.000 1.091 574 V HN 0.842 nan 8.190 nan 0.000 0.455 575 A N 6.285 129.144 122.820 0.065 0.000 2.290 575 A HA 0.910 5.231 4.320 0.000 0.000 0.310 575 A C -0.767 176.869 177.584 0.086 0.000 1.202 575 A CA -0.445 51.636 52.037 0.074 0.000 0.837 575 A CB 1.570 20.604 19.000 0.057 0.000 1.139 575 A HN 1.417 nan 8.150 nan 0.000 0.509 576 V N 2.601 122.592 119.914 0.128 0.000 2.709 576 V HA 0.249 4.369 4.120 0.000 0.000 0.308 576 V C -0.589 175.618 176.094 0.188 0.000 1.062 576 V CA -0.853 61.531 62.300 0.139 0.000 0.901 576 V CB 1.991 33.914 31.823 0.168 0.000 1.003 576 V HN 0.985 nan 8.190 nan 0.000 0.425 577 D N 3.041 123.515 120.400 0.123 0.000 2.425 577 D HA 0.106 4.746 4.640 0.000 0.000 0.247 577 D C 1.124 177.560 176.300 0.226 0.000 1.147 577 D CA 0.227 54.311 54.000 0.140 0.000 0.879 577 D CB 1.196 42.051 40.800 0.091 0.000 1.179 577 D HN 0.512 nan 8.370 nan 0.000 0.456 578 K N 2.229 122.781 120.400 0.253 0.000 2.360 578 K HA -0.077 4.243 4.320 0.000 0.000 0.201 578 K C 1.809 178.571 176.600 0.271 0.000 1.046 578 K CA 0.882 57.373 56.287 0.341 0.000 0.945 578 K CB 0.030 32.626 32.500 0.160 0.000 0.750 578 K HN 0.554 nan 8.250 nan 0.000 0.464 579 G N 0.839 109.728 108.800 0.150 0.000 2.470 579 G HA2 -0.174 3.786 3.960 0.000 0.000 0.220 579 G HA3 -0.174 3.786 3.960 0.000 0.000 0.220 579 G C 1.445 176.351 174.900 0.010 0.000 1.121 579 G CA 0.381 45.526 45.100 0.075 0.000 0.766 579 G HN 0.099 nan 8.290 nan 0.000 0.553 580 V N 0.104 119.994 119.914 -0.040 0.000 2.453 580 V HA -0.018 4.102 4.120 0.000 0.000 0.247 580 V C 2.178 178.075 176.094 -0.329 0.000 1.048 580 V CA 1.038 63.185 62.300 -0.255 0.000 1.049 580 V CB -0.575 30.992 31.823 -0.426 0.000 0.672 580 V HN 0.361 nan 8.190 nan 0.000 0.457 581 F N -0.581 119.334 119.950 -0.058 0.000 2.802 581 F HA 0.031 4.558 4.527 0.000 0.000 0.300 581 F C 1.981 177.746 175.800 -0.060 0.000 1.168 581 F CA 0.403 58.373 58.000 -0.051 0.000 1.433 581 F CB -0.654 38.331 39.000 -0.024 0.000 1.115 581 F HN -0.041 nan 8.300 nan 0.000 0.582 582 V N -0.579 119.369 119.914 0.057 0.000 2.488 582 V HA -0.204 3.916 4.120 0.000 0.000 0.246 582 V C 1.959 178.018 176.094 -0.058 0.000 1.046 582 V CA 1.348 63.647 62.300 -0.003 0.000 1.053 582 V CB -0.330 31.468 31.823 -0.040 0.000 0.679 582 V HN 0.220 nan 8.190 nan 0.000 0.458 583 L N -0.243 120.905 121.223 -0.124 0.000 2.416 583 L HA 0.287 4.627 4.340 0.000 0.000 0.216 583 L C 0.633 177.418 176.870 -0.141 0.000 1.098 583 L CA 0.892 55.632 54.840 -0.166 0.000 0.840 583 L CB -0.277 41.600 42.059 -0.303 0.000 0.981 583 L HN 0.402 nan 8.230 nan 0.000 0.462 584 N N 0.033 118.658 118.700 -0.125 0.000 2.648 584 N HA 0.134 4.874 4.740 0.000 0.000 0.272 584 N C -0.628 174.875 175.510 -0.013 0.000 1.118 584 N CA -0.262 52.742 53.050 -0.077 0.000 0.973 584 N CB 1.047 39.465 38.487 -0.115 0.000 1.565 584 N HN 0.149 nan 8.380 nan 0.000 0.542 585 K N 1.339 121.786 120.400 0.078 0.000 2.646 585 K HA 0.386 4.706 4.320 0.000 0.000 0.206 585 K C -0.323 176.369 176.600 0.153 0.000 1.069 585 K CA -0.467 55.943 56.287 0.204 0.000 1.067 585 K CB 0.512 33.139 32.500 0.211 0.000 0.807 585 K HN 0.209 nan 8.250 nan 0.000 0.482 586 K N 0.983 121.444 120.400 0.101 0.000 2.132 586 K HA 0.298 4.618 4.320 0.000 0.000 0.241 586 K C -0.354 176.313 176.600 0.112 0.000 1.000 586 K CA -0.853 55.491 56.287 0.095 0.000 0.911 586 K CB 0.645 33.187 32.500 0.069 0.000 1.093 586 K HN 0.220 nan 8.250 nan 0.000 0.460 587 N N 0.658 119.426 118.700 0.113 0.000 2.735 587 N HA -0.207 4.534 4.740 0.000 0.000 0.248 587 N C -1.309 174.289 175.510 0.146 0.000 1.083 587 N CA 0.506 53.635 53.050 0.131 0.000 0.703 587 N CB -0.849 37.722 38.487 0.141 0.000 1.005 587 N HN 0.331 nan 8.380 nan 0.000 0.550 588 K N 1.078 121.565 120.400 0.145 0.000 2.276 588 K HA 0.249 4.569 4.320 0.000 0.000 0.285 588 K C -0.039 176.633 176.600 0.121 0.000 1.062 588 K CA -0.776 55.605 56.287 0.156 0.000 0.918 588 K CB 1.184 33.786 32.500 0.170 0.000 1.055 588 K HN 0.053 nan 8.250 nan 0.000 0.477 589 L N 3.464 124.758 121.223 0.120 0.000 2.597 589 L HA 0.052 4.392 4.340 0.000 0.000 0.271 589 L C -0.691 176.192 176.870 0.021 0.000 1.157 589 L CA 1.239 56.125 54.840 0.077 0.000 0.928 589 L CB 0.010 42.119 42.059 0.084 0.000 1.216 589 L HN 0.555 nan 8.230 nan 0.000 0.481 590 T N 3.608 118.160 114.554 -0.003 0.000 2.900 590 T HA 0.176 4.527 4.350 0.000 0.000 0.295 590 T C 0.511 175.165 174.700 -0.077 0.000 1.044 590 T CA -0.272 61.815 62.100 -0.022 0.000 0.995 590 T CB 1.850 70.730 68.868 0.021 0.000 1.072 590 T HN 0.549 nan 8.240 nan 0.000 0.473 591 Q N 1.458 121.212 119.800 -0.076 0.000 2.234 591 Q HA -0.091 4.250 4.340 0.000 0.000 0.206 591 Q C 2.312 178.321 176.000 0.015 0.000 0.980 591 Q CA 1.935 57.674 55.803 -0.107 0.000 0.869 591 Q CB -0.384 28.358 28.738 0.006 0.000 0.912 591 Q HN 0.659 nan 8.270 nan 0.000 0.436 592 S N -0.635 115.119 115.700 0.091 0.000 2.383 592 S HA -0.123 4.347 4.470 0.000 0.000 0.227 592 S C 1.540 176.219 174.600 0.133 0.000 1.026 592 S CA 1.285 59.581 58.200 0.161 0.000 0.981 592 S CB -0.054 63.219 63.200 0.121 0.000 0.818 592 S HN 0.446 nan 8.310 nan 0.000 0.472 593 K N 0.377 120.818 120.400 0.067 0.000 2.228 593 K HA 0.137 4.457 4.320 0.000 0.000 0.202 593 K C 1.921 178.560 176.600 0.065 0.000 1.051 593 K CA 1.003 57.342 56.287 0.087 0.000 0.960 593 K CB -0.165 32.391 32.500 0.094 0.000 0.743 593 K HN 0.435 nan 8.250 nan 0.000 0.458 594 I N -0.400 120.094 120.570 -0.126 0.000 2.163 594 I HA -0.242 3.929 4.170 0.000 0.000 0.240 594 I C 1.825 177.790 176.117 -0.253 0.000 1.081 594 I CA 1.514 62.598 61.300 -0.361 0.000 1.353 594 I CB -0.317 37.144 38.000 -0.898 0.000 1.054 594 I HN 0.270 nan 8.210 nan 0.000 0.407 595 W N 1.021 122.305 121.300 -0.027 0.000 2.425 595 W HA -0.177 4.483 4.660 0.000 0.000 0.277 595 W C 2.221 178.774 176.519 0.057 0.000 1.231 595 W CA 0.517 57.866 57.345 0.007 0.000 1.248 595 W CB -0.388 29.083 29.460 0.018 0.000 1.117 595 W HN 0.186 nan 8.180 nan 0.000 0.568 596 D N 0.285 120.840 120.400 0.258 0.000 2.117 596 D HA -0.163 4.477 4.640 0.000 0.000 0.197 596 D C 1.980 178.398 176.300 0.196 0.000 0.987 596 D CA 1.389 55.513 54.000 0.207 0.000 0.829 596 D CB -0.168 40.733 40.800 0.169 0.000 0.961 596 D HN -0.005 nan 8.370 nan 0.000 0.460 597 V N -0.121 119.914 119.914 0.201 0.000 2.453 597 V HA -0.148 3.973 4.120 0.000 0.000 0.247 597 V C 2.667 178.909 176.094 0.246 0.000 1.048 597 V CA 1.048 63.490 62.300 0.237 0.000 1.049 597 V CB -0.185 31.817 31.823 0.297 0.000 0.672 597 V HN 0.104 nan 8.190 nan 0.000 0.457 598 V N -0.154 119.833 119.914 0.121 0.000 2.358 598 V HA -0.186 3.934 4.120 0.000 0.000 0.246 598 V C 2.603 178.859 176.094 0.271 0.000 1.047 598 V CA 1.956 64.334 62.300 0.130 0.000 1.035 598 V CB -0.524 31.340 31.823 0.069 0.000 0.658 598 V HN 0.548 nan 8.190 nan 0.000 0.452 599 E N 1.125 121.480 120.200 0.258 0.000 2.072 599 E HA -0.167 4.183 4.350 0.000 0.000 0.191 599 E C 1.623 178.327 176.600 0.175 0.000 0.985 599 E CA 0.963 57.502 56.400 0.232 0.000 0.801 599 E CB -0.052 29.785 29.700 0.228 0.000 0.750 599 E HN 0.537 nan 8.360 nan 0.000 0.452 600 K N -0.089 120.411 120.400 0.168 0.000 2.968 600 K HA 0.151 4.471 4.320 0.000 0.000 0.249 600 K C 0.436 177.126 176.600 0.151 0.000 1.062 600 K CA 0.300 56.663 56.287 0.126 0.000 1.215 600 K CB 0.319 32.886 32.500 0.113 0.000 1.097 600 K HN 0.018 nan 8.250 nan 0.000 0.462 601 A N 0.318 123.251 122.820 0.189 0.000 2.701 601 A HA 0.084 4.404 4.320 0.000 0.000 0.241 601 A C -0.563 177.127 177.584 0.177 0.000 1.231 601 A CA -0.444 51.716 52.037 0.206 0.000 1.003 601 A CB 0.418 19.624 19.000 0.343 0.000 1.281 601 A HN 0.150 nan 8.150 nan 0.000 0.600 602 D N 0.680 121.172 120.400 0.153 0.000 2.423 602 D HA 0.128 4.768 4.640 0.000 0.000 0.238 602 D C 1.616 177.968 176.300 0.086 0.000 1.142 602 D CA 0.078 54.157 54.000 0.131 0.000 0.884 602 D CB 0.649 41.521 40.800 0.121 0.000 1.199 602 D HN 0.496 nan 8.370 nan 0.000 0.438 603 I N -1.289 119.329 120.570 0.080 0.000 3.444 603 I HA 0.182 4.353 4.170 0.000 0.000 0.287 603 I C 0.886 177.036 176.117 0.054 0.000 1.302 603 I CA 0.012 61.347 61.300 0.058 0.000 1.368 603 I CB -0.289 37.743 38.000 0.052 0.000 1.048 603 I HN 0.093 nan 8.210 nan 0.000 0.487 604 G N -0.401 108.431 108.800 0.052 0.000 2.410 604 G HA2 0.475 4.435 3.960 0.000 0.000 0.330 604 G HA3 0.475 4.435 3.960 0.000 0.000 0.330 604 G C -0.099 174.796 174.900 -0.009 0.000 1.142 604 G CA -0.403 44.717 45.100 0.032 0.000 0.902 604 G HN 0.315 nan 8.290 nan 0.000 0.491 605 c N -0.844 117.748 118.600 -0.014 0.000 2.508 605 c HA 0.289 4.859 4.570 0.000 0.000 0.407 605 c C 1.305 175.362 174.090 -0.055 0.000 1.494 605 c CA 0.290 56.597 56.329 -0.036 0.000 2.531 605 c CB -0.132 42.377 42.510 -0.001 0.000 2.480 605 c HN 0.623 nan 8.230 nan 0.000 0.614 606 T N 3.777 118.330 114.554 -0.000 0.000 2.888 606 T HA 0.108 4.458 4.350 0.000 0.000 0.301 606 T C -1.565 173.131 174.700 -0.008 0.000 1.001 606 T CA 0.012 62.132 62.100 0.033 0.000 1.147 606 T CB 0.740 69.676 68.868 0.112 0.000 0.931 606 T HN 0.280 nan 8.240 nan 0.000 0.541 607 P HA 0.074 nan 4.420 nan 0.000 0.221 607 P C 0.524 177.878 177.300 0.091 0.000 1.145 607 P CA 0.787 63.871 63.100 -0.026 0.000 0.795 607 P CB 0.117 31.823 31.700 0.010 0.000 0.775 608 G N -2.784 106.076 108.800 0.100 0.000 2.384 608 G HA2 0.400 4.360 3.960 0.000 0.000 0.300 608 G HA3 0.400 4.360 3.960 0.000 0.000 0.300 608 G C -0.917 174.060 174.900 0.128 0.000 1.582 608 G CA 0.115 45.268 45.100 0.088 0.000 0.875 608 G HN 0.073 nan 8.290 nan 0.000 0.628 609 S N -1.640 114.095 115.700 0.058 0.000 3.760 609 S HA 0.425 4.895 4.470 0.000 0.000 0.734 609 S C 0.682 175.266 174.600 -0.026 0.000 1.581 609 S CA 1.362 59.595 58.200 0.055 0.000 1.575 609 S CB -0.772 62.529 63.200 0.170 0.000 0.391 609 S HN 2.763 nan 8.310 nan 0.000 0.901 610 G N 0.930 109.592 108.800 -0.230 0.000 2.827 610 G HA2 0.590 4.550 3.960 0.000 0.000 0.296 610 G HA3 0.590 4.550 3.960 0.000 0.000 0.296 610 G C 0.187 174.437 174.900 -1.084 0.000 1.362 610 G CA 0.111 44.743 45.100 -0.779 0.000 0.809 610 G HN 1.015 nan 8.290 nan 0.000 0.522 611 K N -1.048 118.774 120.400 -0.963 0.000 2.296 611 K HA 0.148 4.468 4.320 0.000 0.000 0.200 611 K C 0.120 176.471 176.600 -0.416 0.000 1.048 611 K CA 1.518 57.517 56.287 -0.481 0.000 0.966 611 K CB -0.066 32.324 32.500 -0.184 0.000 0.754 611 K HN 0.510 nan 8.250 nan 0.000 0.466 612 D N -1.020 119.136 120.400 -0.408 0.000 2.838 612 D HA -0.055 4.585 4.640 0.000 0.000 0.334 612 D C 0.741 176.949 176.300 -0.154 0.000 1.315 612 D CA -0.726 52.978 54.000 -0.493 0.000 0.917 612 D CB -0.160 40.438 40.800 -0.336 0.000 1.435 612 D HN 0.003 nan 8.370 nan 0.000 0.517 613 Y N -0.736 119.512 120.300 -0.086 0.000 2.200 613 Y HA 0.238 4.788 4.550 0.000 0.000 0.290 613 Y C 2.109 178.116 175.900 0.179 0.000 1.137 613 Y CA 1.552 59.716 58.100 0.107 0.000 1.163 613 Y CB -1.129 37.362 38.460 0.051 0.000 0.988 613 Y HN 0.390 nan 8.280 nan 0.000 0.518 614 A N 0.864 123.176 122.820 -0.846 0.000 2.168 614 A HA 0.151 4.471 4.320 0.000 0.000 0.215 614 A C 2.302 179.800 177.584 -0.144 0.000 1.152 614 A CA 1.076 52.821 52.037 -0.486 0.000 0.716 614 A CB -1.337 17.235 19.000 -0.713 0.000 0.794 614 A HN 0.648 nan 8.150 nan 0.000 0.465 615 G N -0.965 107.740 108.800 -0.159 0.000 2.492 615 G HA2 0.092 4.052 3.960 0.000 0.000 0.214 615 G HA3 0.092 4.052 3.960 0.000 0.000 0.214 615 G C 1.350 176.214 174.900 -0.061 0.000 1.147 615 G CA 0.918 45.950 45.100 -0.115 0.000 0.809 615 G HN 0.241 nan 8.290 nan 0.000 0.533 616 V N 0.666 120.552 119.914 -0.047 0.000 2.343 616 V HA -0.113 4.007 4.120 0.000 0.000 0.247 616 V C 2.442 178.455 176.094 -0.135 0.000 1.051 616 V CA 1.463 63.694 62.300 -0.114 0.000 1.036 616 V CB -0.651 31.058 31.823 -0.190 0.000 0.654 616 V HN 0.320 nan 8.190 nan 0.000 0.451 617 F N 0.673 120.617 119.950 -0.011 0.000 2.113 617 F HA -0.128 4.399 4.527 0.000 0.000 0.297 617 F C 2.719 178.533 175.800 0.024 0.000 1.103 617 F CA 1.770 59.782 58.000 0.020 0.000 1.248 617 F CB -0.826 38.191 39.000 0.027 0.000 0.999 617 F HN 0.008 nan 8.300 nan 0.000 0.475 618 S N -0.360 115.454 115.700 0.190 0.000 2.382 618 S HA -0.178 4.293 4.470 0.000 0.000 0.228 618 S C 1.362 176.005 174.600 0.072 0.000 1.027 618 S CA 1.512 59.775 58.200 0.106 0.000 0.991 618 S CB -0.366 62.867 63.200 0.056 0.000 0.823 618 S HN 0.323 nan 8.310 nan 0.000 0.469 619 D N 1.016 121.444 120.400 0.047 0.000 2.347 619 D HA 0.212 4.852 4.640 0.000 0.000 0.215 619 D C 1.658 177.983 176.300 0.041 0.000 0.976 619 D CA 0.663 54.684 54.000 0.036 0.000 0.884 619 D CB -0.088 40.724 40.800 0.020 0.000 0.915 619 D HN 0.414 nan 8.370 nan 0.000 0.526 620 A N -0.535 122.318 122.820 0.053 0.000 2.035 620 A HA 0.514 4.835 4.320 0.000 0.000 0.208 620 A C 1.561 179.205 177.584 0.100 0.000 1.206 620 A CA 0.865 52.943 52.037 0.068 0.000 0.773 620 A CB 0.367 19.394 19.000 0.045 0.000 0.878 620 A HN 0.189 nan 8.150 nan 0.000 0.469 621 G N -0.844 108.025 108.800 0.116 0.000 2.338 621 G HA2 0.024 3.984 3.960 0.000 0.000 0.115 621 G HA3 0.024 3.984 3.960 0.000 0.000 0.115 621 G C -0.507 174.484 174.900 0.151 0.000 1.053 621 G CA -0.092 45.079 45.100 0.118 0.000 0.733 621 G HN 0.430 nan 8.290 nan 0.000 0.482 622 L N 0.362 121.707 121.223 0.204 0.000 2.424 622 L HA 0.789 5.129 4.340 0.000 0.000 0.258 622 L C 0.090 177.094 176.870 0.223 0.000 0.995 622 L CA -0.740 54.250 54.840 0.249 0.000 0.821 622 L CB 2.669 44.964 42.059 0.393 0.000 1.383 622 L HN 0.333 nan 8.230 nan 0.000 0.410 623 T N -1.039 113.593 114.554 0.129 0.000 2.893 623 T HA 0.432 4.783 4.350 0.000 0.000 0.324 623 T C -0.827 173.837 174.700 -0.059 0.000 1.082 623 T CA -0.340 61.783 62.100 0.039 0.000 0.983 623 T CB 0.418 69.305 68.868 0.032 0.000 1.005 623 T HN 0.287 nan 8.240 nan 0.000 0.475 624 F N 3.423 123.120 119.950 -0.422 0.000 2.411 624 F HA 0.574 5.101 4.527 0.000 0.000 0.355 624 F C -0.287 175.330 175.800 -0.305 0.000 1.117 624 F CA -0.049 57.610 58.000 -0.569 0.000 1.139 624 F CB 1.014 39.196 39.000 -1.364 0.000 1.120 624 F HN 0.603 nan 8.300 nan 0.000 0.493 625 T N 4.807 118.941 114.554 -0.700 0.000 3.011 625 T HA 0.384 4.734 4.350 0.000 0.000 0.303 625 T C -0.674 173.717 174.700 -0.516 0.000 0.997 625 T CA -0.799 61.044 62.100 -0.429 0.000 1.007 625 T CB 1.232 69.985 68.868 -0.192 0.000 1.017 625 T HN 0.628 nan 8.240 nan 0.000 0.443 626 S N 1.149 116.626 115.700 -0.372 0.000 2.766 626 S HA 0.598 5.068 4.470 0.000 0.000 0.307 626 S C 1.394 175.936 174.600 -0.096 0.000 1.121 626 S CA -0.243 57.805 58.200 -0.253 0.000 0.980 626 S CB 1.400 64.507 63.200 -0.154 0.000 1.159 626 S HN 0.635 nan 8.310 nan 0.000 0.546 627 S N -0.213 115.452 115.700 -0.058 0.000 2.528 627 S HA 0.061 4.531 4.470 0.000 0.000 0.219 627 S C 1.401 176.005 174.600 0.007 0.000 0.985 627 S CA 0.403 58.610 58.200 0.012 0.000 0.914 627 S CB -0.643 62.622 63.200 0.108 0.000 0.776 627 S HN 0.551 nan 8.310 nan 0.000 0.526 628 S N 0.989 116.680 115.700 -0.014 0.000 2.414 628 S HA 0.388 4.859 4.470 0.000 0.000 0.227 628 S C 1.629 176.230 174.600 0.002 0.000 1.022 628 S CA 0.842 59.036 58.200 -0.010 0.000 0.958 628 S CB -0.083 63.106 63.200 -0.019 0.000 0.797 628 S HN 0.966 nan 8.310 nan 0.000 0.493 629 G N 0.277 109.083 108.800 0.010 0.000 2.425 629 G HA2 -0.115 3.845 3.960 0.000 0.000 0.177 629 G HA3 -0.115 3.845 3.960 0.000 0.000 0.177 629 G C -0.392 174.540 174.900 0.053 0.000 0.999 629 G CA -0.762 44.351 45.100 0.021 0.000 0.723 629 G HN 0.364 nan 8.290 nan 0.000 0.491 630 Q N 1.832 121.684 119.800 0.087 0.000 2.369 630 Q HA 0.523 4.863 4.340 0.000 0.000 0.247 630 Q C 0.329 176.451 176.000 0.202 0.000 1.083 630 Q CA 0.178 56.108 55.803 0.211 0.000 0.905 630 Q CB 0.661 29.547 28.738 0.246 0.000 1.305 630 Q HN 0.789 nan 8.270 nan 0.000 0.465 631 Q N 0.033 119.909 119.800 0.127 0.000 2.387 631 Q HA 0.705 5.045 4.340 0.000 0.000 0.273 631 Q C -0.487 175.514 176.000 0.003 0.000 1.089 631 Q CA -1.040 54.786 55.803 0.038 0.000 0.824 631 Q CB 1.298 30.025 28.738 -0.017 0.000 1.367 631 Q HN 0.468 nan 8.270 nan 0.000 0.443 632 T N -1.112 113.424 114.554 -0.030 0.000 2.754 632 T HA 0.590 4.940 4.350 0.000 0.000 0.286 632 T C 0.529 175.197 174.700 -0.053 0.000 0.997 632 T CA -0.331 61.734 62.100 -0.060 0.000 0.982 632 T CB 0.692 69.549 68.868 -0.018 0.000 1.027 632 T HN 0.783 nan 8.240 nan 0.000 0.529 633 A N 0.804 123.592 122.820 -0.054 0.000 2.425 633 A HA 0.314 4.635 4.320 0.000 0.000 0.242 633 A C 0.542 178.116 177.584 -0.017 0.000 1.077 633 A CA -0.608 51.405 52.037 -0.041 0.000 0.781 633 A CB -0.181 18.795 19.000 -0.041 0.000 1.020 633 A HN 0.941 nan 8.150 nan 0.000 0.494 634 Q N 0.788 120.576 119.800 -0.020 0.000 2.314 634 Q HA 0.311 4.651 4.340 0.000 0.000 0.258 634 Q C -0.213 175.799 176.000 0.020 0.000 0.954 634 Q CA -0.147 55.648 55.803 -0.013 0.000 0.890 634 Q CB 0.459 29.171 28.738 -0.043 0.000 1.210 634 Q HN 0.669 nan 8.270 nan 0.000 0.410 635 R N 2.890 123.425 120.500 0.060 0.000 2.337 635 R HA 0.480 4.821 4.340 0.000 0.000 0.319 635 R C -0.627 175.778 176.300 0.176 0.000 0.954 635 R CA 0.212 56.367 56.100 0.093 0.000 0.840 635 R CB 1.050 31.401 30.300 0.086 0.000 1.164 635 R HN 0.812 nan 8.270 nan 0.000 0.472 636 A N 4.109 127.021 122.820 0.153 0.000 1.938 636 A HA 0.148 4.468 4.320 0.000 0.000 0.207 636 A C 0.124 177.815 177.584 0.178 0.000 1.292 636 A CA 0.205 52.385 52.037 0.239 0.000 0.700 636 A CB -0.036 19.055 19.000 0.151 0.000 0.947 636 A HN 0.727 nan 8.150 nan 0.000 0.476 637 E N 0.459 120.719 120.200 0.101 0.000 2.384 637 E HA 0.233 4.583 4.350 0.000 0.000 0.266 637 E C 0.416 177.039 176.600 0.038 0.000 1.012 637 E CA -0.305 56.132 56.400 0.062 0.000 0.901 637 E CB 0.887 30.614 29.700 0.045 0.000 0.967 637 E HN 0.410 nan 8.360 nan 0.000 0.435 638 L N 1.927 123.158 121.223 0.013 0.000 1.988 638 L HA -0.189 4.152 4.340 0.000 0.000 0.207 638 L C 1.053 177.925 176.870 0.003 0.000 1.071 638 L CA 1.259 56.094 54.840 -0.009 0.000 0.744 638 L CB -0.341 41.702 42.059 -0.027 0.000 0.893 638 L HN 0.501 nan 8.230 nan 0.000 0.433 639 Q N -0.966 118.838 119.800 0.006 0.000 2.414 639 Q HA 0.170 4.510 4.340 0.000 0.000 0.206 639 Q C -0.278 175.732 176.000 0.018 0.000 1.058 639 Q CA -0.272 55.538 55.803 0.012 0.000 1.025 639 Q CB 0.511 29.253 28.738 0.007 0.000 1.196 639 Q HN 0.222 nan 8.270 nan 0.000 0.586 640 c N 1.869 120.480 118.600 0.017 0.000 2.539 640 c HA 0.399 4.969 4.570 0.000 0.000 0.392 640 c C -1.718 172.383 174.090 0.018 0.000 1.269 640 c CA -1.088 55.252 56.329 0.018 0.000 2.250 640 c CB -0.584 41.933 42.510 0.011 0.000 2.584 640 c HN 0.673 nan 8.230 nan 0.000 0.589 641 P HA 0.157 nan 4.420 nan 0.000 0.269 641 P C -0.296 177.016 177.300 0.019 0.000 1.211 641 P CA 0.364 63.478 63.100 0.023 0.000 0.781 641 P CB 0.213 31.930 31.700 0.029 0.000 0.877 642 Q N 0.000 119.811 119.800 0.019 0.000 2.315 642 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 642 Q CA 0.000 55.813 55.803 0.017 0.000 1.022 642 Q CB 0.000 28.749 28.738 0.019 0.000 1.108 642 Q HN 0.000 nan 8.270 nan 0.000 0.481