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 1hr6_1_F DATA FIRST_RESID 20 DATA SEQUENCE ASQIPGTRTS KLPNGLTIAT EYIPNTSSAT VGIFVDAGSR AENVKNNGTA DATA SEQUENCE HFLEHLAFKG TQNRPQQGIE LEIENIGSHL NAYTSRENTV YYAKSLQEDI DATA SEQUENCE PKAVDILSDI LTKSVLDNSA IERERDVIIR ESEEVDKMYD EVVFDHLHEI DATA SEQUENCE TYKDQPLGRT ILGPIKNIKS ITRTDLKDYI TKNYKGDRMV LAGAGAVDHE DATA SEQUENCE KLVQYAQKYF GHVPKSESPV PLGSPRGPLP VFCRGERFIK ENTLPTTHIA DATA SEQUENCE IALEGVSWSA PDYFVALATQ AIVGNWDRAI GTGTNSPSPL AVAASQNGSL DATA SEQUENCE ANSYMSFSTS YADSGLWGMY IVTDSNEHNV RLIVNEILKE WKRIKSGKIS DATA SEQUENCE DAEVNRAKAQ LKAALLLSLD GSTAIVEDIG RQVVTTGKRL SPEEVFEQVD DATA SEQUENCE KITKDDIIMW ANYRLQNKPV SMVALGNTST VPNVSYIEEK LNQ 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.589 177.584 0.009 0.000 1.274 20 A CA 0.000 52.044 52.037 0.011 0.000 0.836 20 A CB 0.000 19.005 19.000 0.008 0.000 0.831 21 S N -1.660 114.046 115.700 0.009 0.000 5.707 21 S HA 0.493 4.963 4.470 -0.000 0.000 0.128 21 S C -0.083 174.519 174.600 0.002 0.000 1.212 21 S CA 0.039 58.242 58.200 0.005 0.000 1.212 21 S CB 0.248 63.453 63.200 0.008 0.000 2.049 21 S HN 0.900 nan 8.310 nan 0.000 0.680 22 Q N 0.217 120.021 119.800 0.006 0.000 2.962 22 Q HA 0.631 4.971 4.340 -0.000 0.000 0.282 22 Q C -1.221 174.783 176.000 0.006 0.000 1.058 22 Q CA -0.727 55.077 55.803 0.001 0.000 0.854 22 Q CB 1.775 30.512 28.738 -0.001 0.000 1.441 22 Q HN 0.634 nan 8.270 nan 0.000 0.497 23 I N 2.074 122.643 120.570 -0.002 0.000 2.359 23 I HA 0.256 4.426 4.170 -0.000 0.000 0.294 23 I C -1.942 174.181 176.117 0.009 0.000 0.987 23 I CA -1.850 59.449 61.300 -0.001 0.000 1.225 23 I CB 1.295 39.283 38.000 -0.019 0.000 1.366 23 I HN 0.260 nan 8.210 nan 0.000 0.466 24 P HA 0.072 nan 4.420 nan 0.000 0.260 24 P C 0.119 177.428 177.300 0.016 0.000 1.185 24 P CA 0.069 63.195 63.100 0.042 0.000 0.763 24 P CB 0.403 32.144 31.700 0.068 0.000 0.776 25 G N 1.769 110.573 108.800 0.007 0.000 2.557 25 G HA2 0.485 4.445 3.960 -0.000 0.000 0.302 25 G HA3 0.485 4.445 3.960 -0.000 0.000 0.302 25 G C -0.849 174.036 174.900 -0.025 0.000 1.311 25 G CA -0.503 44.589 45.100 -0.013 0.000 1.030 25 G HN 0.359 nan 8.290 nan 0.000 0.509 26 T N 1.710 116.237 114.554 -0.045 0.000 2.743 26 T HA 0.374 4.724 4.350 -0.000 0.000 0.292 26 T C 0.113 174.738 174.700 -0.125 0.000 0.972 26 T CA -0.455 61.604 62.100 -0.068 0.000 0.967 26 T CB 0.658 69.490 68.868 -0.059 0.000 0.926 26 T HN 0.314 nan 8.240 nan 0.000 0.459 27 R N 2.720 123.085 120.500 -0.225 0.000 2.390 27 R HA 0.496 4.836 4.340 -0.000 0.000 0.291 27 R C -0.223 175.817 176.300 -0.434 0.000 1.070 27 R CA -0.395 55.440 56.100 -0.442 0.000 1.014 27 R CB 0.564 30.359 30.300 -0.842 0.000 1.007 27 R HN 0.471 nan 8.270 nan 0.000 0.466 28 T N 0.814 115.231 114.554 -0.229 0.000 2.876 28 T HA 0.458 4.808 4.350 -0.000 0.000 0.289 28 T C -0.538 174.234 174.700 0.121 0.000 1.014 28 T CA -0.516 61.575 62.100 -0.015 0.000 0.986 28 T CB 1.920 70.775 68.868 -0.022 0.000 1.021 28 T HN 0.439 nan 8.240 nan 0.000 0.458 29 S N 1.576 117.389 115.700 0.188 0.000 2.541 29 S HA 0.559 5.029 4.470 -0.000 0.000 0.271 29 S C -1.050 173.584 174.600 0.057 0.000 1.133 29 S CA -0.911 57.371 58.200 0.137 0.000 0.876 29 S CB 2.143 65.438 63.200 0.157 0.000 1.105 29 S HN 0.546 nan 8.310 nan 0.000 0.470 30 K N 1.268 121.686 120.400 0.030 0.000 2.207 30 K HA 0.629 4.949 4.320 -0.000 0.000 0.255 30 K C -1.309 175.293 176.600 0.005 0.000 0.941 30 K CA -0.721 55.573 56.287 0.010 0.000 0.825 30 K CB 1.212 33.716 32.500 0.006 0.000 1.119 30 K HN 0.325 nan 8.250 nan 0.000 0.430 31 L N 4.359 125.582 121.223 -0.000 0.000 2.375 31 L HA 0.365 4.704 4.340 -0.000 0.000 0.268 31 L C -1.442 175.430 176.870 0.004 0.000 1.058 31 L CA -1.854 52.988 54.840 0.003 0.000 0.803 31 L CB 0.956 43.020 42.059 0.009 0.000 1.212 31 L HN 0.579 nan 8.230 nan 0.000 0.451 32 P HA -0.181 nan 4.420 nan 0.000 0.216 32 P C 0.442 177.745 177.300 0.006 0.000 1.153 32 P CA 1.502 64.605 63.100 0.005 0.000 0.858 32 P CB -0.130 31.573 31.700 0.005 0.000 0.789 33 N N -0.933 117.773 118.700 0.009 0.000 2.571 33 N HA 0.047 4.787 4.740 -0.000 0.000 0.189 33 N C 1.404 176.917 175.510 0.004 0.000 1.154 33 N CA 1.134 54.189 53.050 0.008 0.000 0.907 33 N CB -0.956 37.536 38.487 0.009 0.000 0.977 33 N HN 0.324 nan 8.380 nan 0.000 0.449 34 G N -0.791 108.009 108.800 0.001 0.000 2.254 34 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.225 34 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.225 34 G C -0.190 174.703 174.900 -0.012 0.000 1.003 34 G CA 0.009 45.107 45.100 -0.003 0.000 0.622 34 G HN 0.465 nan 8.290 nan 0.000 0.507 35 L N 3.292 124.505 121.223 -0.017 0.000 2.559 35 L HA 0.522 4.862 4.340 -0.000 0.000 0.274 35 L C 0.579 177.426 176.870 -0.038 0.000 1.205 35 L CA 0.939 55.755 54.840 -0.041 0.000 0.907 35 L CB 0.441 42.467 42.059 -0.055 0.000 1.153 35 L HN 0.216 nan 8.230 nan 0.000 0.490 36 T N 6.451 120.977 114.554 -0.047 0.000 2.875 36 T HA 0.534 4.884 4.350 -0.000 0.000 0.284 36 T C -0.174 174.505 174.700 -0.035 0.000 0.995 36 T CA -0.351 61.729 62.100 -0.033 0.000 1.060 36 T CB 0.978 69.823 68.868 -0.038 0.000 0.967 36 T HN 0.322 nan 8.240 nan 0.000 0.476 37 I N 2.719 123.293 120.570 0.008 0.000 2.382 37 I HA 0.558 4.728 4.170 -0.000 0.000 0.285 37 I C 0.119 176.317 176.117 0.136 0.000 1.007 37 I CA -1.175 60.149 61.300 0.040 0.000 1.142 37 I CB 0.479 38.485 38.000 0.009 0.000 1.289 37 I HN 0.685 nan 8.210 nan 0.000 0.453 38 A N 4.522 127.386 122.820 0.073 0.000 2.342 38 A HA 0.877 5.197 4.320 -0.000 0.000 0.323 38 A C -0.190 177.440 177.584 0.076 0.000 1.125 38 A CA -0.452 51.613 52.037 0.046 0.000 0.785 38 A CB 1.493 20.459 19.000 -0.056 0.000 1.221 38 A HN 0.620 nan 8.150 nan 0.000 0.463 39 T N 0.927 115.520 114.554 0.065 0.000 2.916 39 T HA 0.532 4.882 4.350 -0.000 0.000 0.305 39 T C -1.505 173.216 174.700 0.035 0.000 1.119 39 T CA -0.387 61.773 62.100 0.099 0.000 1.008 39 T CB 1.522 70.569 68.868 0.298 0.000 1.129 39 T HN 0.722 nan 8.240 nan 0.000 0.480 40 E N 2.310 122.548 120.200 0.064 0.000 2.265 40 E HA 0.302 4.652 4.350 -0.000 0.000 0.262 40 E C -1.665 175.000 176.600 0.109 0.000 0.889 40 E CA -0.650 55.787 56.400 0.060 0.000 0.789 40 E CB 1.158 30.869 29.700 0.018 0.000 1.221 40 E HN 0.635 nan 8.360 nan 0.000 0.414 41 Y N 5.575 125.883 120.300 0.014 0.000 2.359 41 Y HA 0.272 4.821 4.550 -0.000 0.000 0.330 41 Y C -0.692 175.218 175.900 0.017 0.000 1.143 41 Y CA -0.288 57.827 58.100 0.025 0.000 1.318 41 Y CB 0.553 39.028 38.460 0.026 0.000 1.234 41 Y HN 0.374 nan 8.280 nan 0.000 0.522 42 I N 8.807 128.951 120.570 -0.711 0.000 2.382 42 I HA 0.304 4.474 4.170 -0.000 0.000 0.285 42 I C -2.441 173.113 176.117 -0.939 0.000 1.007 42 I CA -2.885 58.069 61.300 -0.577 0.000 1.142 42 I CB 0.968 38.794 38.000 -0.289 0.000 1.289 42 I HN 0.537 nan 8.210 nan 0.000 0.453 43 P HA 0.134 nan 4.420 nan 0.000 0.269 43 P C -0.128 177.062 177.300 -0.183 0.000 1.215 43 P CA 0.066 62.963 63.100 -0.339 0.000 0.780 43 P CB 0.266 31.960 31.700 -0.010 0.000 0.898 44 N N -1.432 117.234 118.700 -0.057 0.000 2.727 44 N HA -0.122 4.618 4.740 -0.000 0.000 0.251 44 N C -0.703 174.777 175.510 -0.049 0.000 1.040 44 N CA 0.591 53.625 53.050 -0.026 0.000 0.712 44 N CB -1.305 37.170 38.487 -0.020 0.000 0.912 44 N HN 0.641 nan 8.380 nan 0.000 0.545 45 T N -4.367 110.153 114.554 -0.057 0.000 2.883 45 T HA 0.606 4.955 4.350 -0.000 0.000 0.301 45 T C 0.230 174.931 174.700 0.001 0.000 1.158 45 T CA -0.712 61.362 62.100 -0.043 0.000 1.007 45 T CB 2.218 71.034 68.868 -0.087 0.000 1.186 45 T HN -0.083 nan 8.240 nan 0.000 0.499 46 S N 0.612 116.321 115.700 0.014 0.000 2.937 46 S HA 0.443 4.912 4.470 -0.000 0.000 0.252 46 S C 0.255 174.877 174.600 0.036 0.000 1.022 46 S CA -0.368 57.852 58.200 0.034 0.000 1.079 46 S CB 0.036 63.255 63.200 0.031 0.000 1.035 46 S HN 1.060 nan 8.310 nan 0.000 0.594 47 S N 0.681 116.399 115.700 0.031 0.000 2.697 47 S HA 1.003 5.473 4.470 -0.000 0.000 0.289 47 S C -0.597 174.029 174.600 0.043 0.000 1.149 47 S CA -0.628 57.597 58.200 0.041 0.000 0.850 47 S CB 1.946 65.173 63.200 0.044 0.000 1.151 47 S HN 0.493 nan 8.310 nan 0.000 0.491 48 A N 0.019 122.875 122.820 0.060 0.000 2.467 48 A HA 0.850 5.170 4.320 -0.000 0.000 0.301 48 A C -1.151 176.490 177.584 0.094 0.000 1.126 48 A CA -0.785 51.292 52.037 0.068 0.000 0.632 48 A CB 0.987 20.031 19.000 0.074 0.000 1.331 48 A HN 0.918 nan 8.150 nan 0.000 0.482 49 T N 0.374 114.992 114.554 0.106 0.000 2.881 49 T HA 0.624 4.974 4.350 -0.000 0.000 0.290 49 T C -1.303 173.491 174.700 0.157 0.000 1.000 49 T CA -0.325 61.865 62.100 0.150 0.000 0.978 49 T CB 1.444 70.402 68.868 0.150 0.000 0.997 49 T HN 0.983 nan 8.240 nan 0.000 0.443 50 V N 1.901 121.927 119.914 0.187 0.000 2.638 50 V HA 0.917 5.037 4.120 -0.000 0.000 0.306 50 V C 0.263 176.500 176.094 0.239 0.000 1.052 50 V CA -0.667 61.742 62.300 0.182 0.000 0.885 50 V CB 2.029 33.933 31.823 0.135 0.000 0.999 50 V HN 1.075 nan 8.190 nan 0.000 0.424 51 G N 2.865 111.831 108.800 0.277 0.000 2.620 51 G HA2 0.693 4.653 3.960 -0.000 0.000 0.301 51 G HA3 0.693 4.653 3.960 -0.000 0.000 0.301 51 G C -1.913 173.147 174.900 0.266 0.000 1.347 51 G CA -0.664 44.602 45.100 0.276 0.000 0.971 51 G HN 0.566 nan 8.290 nan 0.000 0.488 52 I N 1.183 121.802 120.570 0.082 0.000 2.330 52 I HA 0.671 4.841 4.170 -0.000 0.000 0.289 52 I C -1.479 174.626 176.117 -0.020 0.000 1.001 52 I CA -1.800 59.518 61.300 0.031 0.000 1.193 52 I CB 0.373 38.327 38.000 -0.076 0.000 1.345 52 I HN 0.201 nan 8.210 nan 0.000 0.461 53 F N 6.547 126.444 119.950 -0.088 0.000 2.436 53 F HA 0.627 5.154 4.527 -0.000 0.000 0.340 53 F C -0.072 175.678 175.800 -0.084 0.000 1.113 53 F CA -0.850 57.105 58.000 -0.073 0.000 1.022 53 F CB 1.637 40.595 39.000 -0.070 0.000 1.128 53 F HN 0.044 nan 8.300 nan 0.000 0.466 54 V N 2.177 122.139 119.914 0.080 0.000 2.483 54 V HA 0.200 4.320 4.120 -0.000 0.000 0.297 54 V C -0.541 175.603 176.094 0.084 0.000 1.027 54 V CA -1.041 61.278 62.300 0.031 0.000 0.855 54 V CB 1.742 33.519 31.823 -0.076 0.000 0.995 54 V HN 0.634 nan 8.190 nan 0.000 0.424 55 D N 3.978 124.424 120.400 0.075 0.000 2.359 55 D HA 0.449 5.089 4.640 -0.000 0.000 0.273 55 D C 0.330 176.694 176.300 0.106 0.000 1.362 55 D CA 1.146 55.199 54.000 0.088 0.000 1.010 55 D CB 0.945 41.782 40.800 0.060 0.000 1.090 55 D HN 0.729 nan 8.370 nan 0.000 0.521 56 A N 2.816 125.726 122.820 0.150 0.000 1.497 56 A HA 0.672 4.992 4.320 -0.000 0.000 0.153 56 A C 1.111 178.851 177.584 0.260 0.000 1.527 56 A CA 0.560 52.723 52.037 0.210 0.000 2.655 56 A CB -0.420 18.778 19.000 0.331 0.000 2.828 56 A HN 1.172 nan 8.150 nan 0.000 1.298 57 G N -0.396 108.595 108.800 0.320 0.000 2.726 57 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.261 57 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.261 57 G C 1.063 176.113 174.900 0.250 0.000 1.352 57 G CA 1.221 46.470 45.100 0.248 0.000 0.906 57 G HN 2.106 nan 8.290 nan 0.000 0.566 58 S N -0.283 115.507 115.700 0.149 0.000 2.442 58 S HA -0.194 4.276 4.470 -0.000 0.000 0.236 58 S C 2.132 176.791 174.600 0.098 0.000 1.007 58 S CA 1.783 60.050 58.200 0.111 0.000 0.965 58 S CB -0.274 62.953 63.200 0.045 0.000 0.773 58 S HN 1.306 nan 8.310 nan 0.000 0.504 59 R N 1.165 121.706 120.500 0.069 0.000 2.328 59 R HA 0.276 4.616 4.340 -0.000 0.000 0.207 59 R C 1.816 178.150 176.300 0.058 0.000 1.056 59 R CA 0.912 57.023 56.100 0.020 0.000 1.016 59 R CB -0.502 29.777 30.300 -0.035 0.000 0.872 59 R HN 0.441 nan 8.270 nan 0.000 0.471 60 A N 0.778 123.676 122.820 0.130 0.000 2.238 60 A HA 0.103 4.423 4.320 -0.000 0.000 0.210 60 A C 0.071 177.744 177.584 0.149 0.000 1.179 60 A CA -0.167 51.934 52.037 0.106 0.000 0.827 60 A CB 0.033 19.071 19.000 0.064 0.000 0.856 60 A HN 0.480 nan 8.150 nan 0.000 0.488 61 E N 0.330 120.651 120.200 0.200 0.000 2.292 61 E HA 0.406 4.756 4.350 -0.000 0.000 0.258 61 E C -0.574 176.081 176.600 0.092 0.000 1.115 61 E CA -0.604 55.905 56.400 0.181 0.000 0.929 61 E CB 0.447 30.246 29.700 0.165 0.000 1.161 61 E HN 0.622 nan 8.360 nan 0.000 0.453 62 N N -2.217 116.528 118.700 0.075 0.000 2.701 62 N HA 0.173 4.912 4.740 -0.000 0.000 0.290 62 N C 0.361 175.894 175.510 0.039 0.000 1.338 62 N CA -0.756 52.322 53.050 0.046 0.000 0.799 62 N CB 0.469 38.979 38.487 0.038 0.000 1.491 62 N HN 0.160 nan 8.380 nan 0.000 0.540 63 V N -0.263 119.668 119.914 0.028 0.000 2.317 63 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 63 V C 1.848 177.956 176.094 0.024 0.000 1.065 63 V CA 1.745 64.059 62.300 0.023 0.000 1.049 63 V CB -0.698 31.136 31.823 0.018 0.000 0.651 63 V HN 0.647 nan 8.190 nan 0.000 0.450 64 K N -0.318 120.096 120.400 0.024 0.000 2.243 64 K HA 0.023 4.342 4.320 -0.000 0.000 0.201 64 K C 1.924 178.540 176.600 0.026 0.000 1.051 64 K CA 0.642 56.942 56.287 0.021 0.000 0.970 64 K CB -0.501 32.009 32.500 0.016 0.000 0.755 64 K HN 0.404 nan 8.250 nan 0.000 0.465 65 N N 1.781 120.504 118.700 0.038 0.000 2.250 65 N HA -0.108 4.632 4.740 -0.000 0.000 0.181 65 N C 0.173 175.715 175.510 0.054 0.000 1.017 65 N CA 0.211 53.294 53.050 0.054 0.000 0.866 65 N CB -0.313 38.227 38.487 0.088 0.000 0.985 65 N HN 0.219 nan 8.380 nan 0.000 0.429 66 N N -0.315 118.416 118.700 0.052 0.000 1.916 66 N HA -0.128 4.612 4.740 -0.000 0.000 0.307 66 N C 0.570 176.111 175.510 0.051 0.000 1.322 66 N CA 0.859 53.937 53.050 0.047 0.000 0.808 66 N CB -0.120 38.387 38.487 0.033 0.000 1.056 66 N HN 0.506 nan 8.380 nan 0.000 0.499 67 G N 1.831 110.663 108.800 0.053 0.000 2.201 67 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.212 67 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.212 67 G C 0.937 175.905 174.900 0.113 0.000 0.994 67 G CA 0.316 45.470 45.100 0.090 0.000 0.644 67 G HN 0.584 nan 8.290 nan 0.000 0.508 68 T N 1.381 115.944 114.554 0.016 0.000 2.674 68 T HA 0.133 4.483 4.350 -0.000 0.000 0.265 68 T C 2.797 177.373 174.700 -0.207 0.000 1.039 68 T CA 2.591 64.642 62.100 -0.082 0.000 1.150 68 T CB -0.523 68.243 68.868 -0.170 0.000 0.864 68 T HN 1.211 nan 8.240 nan 0.000 0.427 69 A N 1.347 123.914 122.820 -0.422 0.000 1.917 69 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 69 A C 2.134 179.720 177.584 0.003 0.000 1.182 69 A CA 2.173 53.978 52.037 -0.386 0.000 0.633 69 A CB -1.106 17.771 19.000 -0.205 0.000 0.819 69 A HN 0.759 nan 8.150 nan 0.000 0.448 70 H N -2.529 116.530 119.070 -0.018 0.000 2.321 70 H HA -0.151 4.404 4.556 -0.000 0.000 0.300 70 H C 1.994 177.364 175.328 0.069 0.000 1.087 70 H CA 1.771 57.840 56.048 0.037 0.000 1.319 70 H CB -0.236 29.516 29.762 -0.016 0.000 1.379 70 H HN 0.436 nan 8.280 nan 0.000 0.501 71 F N 1.392 121.229 119.950 -0.189 0.000 2.091 71 F HA -0.230 4.297 4.527 -0.000 0.000 0.299 71 F C 2.642 178.388 175.800 -0.090 0.000 1.103 71 F CA 1.230 59.089 58.000 -0.235 0.000 1.228 71 F CB -0.639 38.275 39.000 -0.143 0.000 0.984 71 F HN 0.109 nan 8.300 nan 0.000 0.477 72 L N -0.305 121.044 121.223 0.210 0.000 2.042 72 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 72 L C 2.534 179.570 176.870 0.278 0.000 1.076 72 L CA 1.858 56.821 54.840 0.205 0.000 0.749 72 L CB -0.751 41.404 42.059 0.159 0.000 0.893 72 L HN 0.207 nan 8.230 nan 0.000 0.432 73 E N -0.398 119.951 120.200 0.248 0.000 2.065 73 E HA -0.295 4.055 4.350 -0.000 0.000 0.201 73 E C 2.092 178.879 176.600 0.312 0.000 1.016 73 E CA 1.756 58.301 56.400 0.242 0.000 0.818 73 E CB -0.121 29.664 29.700 0.142 0.000 0.749 73 E HN 0.604 nan 8.360 nan 0.000 0.453 74 H N -0.608 118.481 119.070 0.032 0.000 2.321 74 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 74 H C 2.149 177.592 175.328 0.192 0.000 1.087 74 H CA 1.102 57.177 56.048 0.046 0.000 1.319 74 H CB 0.130 29.776 29.762 -0.193 0.000 1.379 74 H HN 0.197 nan 8.280 nan 0.000 0.501 75 L N 0.728 122.135 121.223 0.307 0.000 2.362 75 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 75 L C 2.669 179.648 176.870 0.180 0.000 1.134 75 L CA 0.991 55.972 54.840 0.234 0.000 0.807 75 L CB -1.329 40.855 42.059 0.209 0.000 0.927 75 L HN 0.209 nan 8.230 nan 0.000 0.447 76 A N -1.337 121.598 122.820 0.192 0.000 2.076 76 A HA -0.162 4.157 4.320 -0.000 0.000 0.220 76 A C 1.757 179.207 177.584 -0.223 0.000 1.160 76 A CA 1.310 53.337 52.037 -0.017 0.000 0.653 76 A CB -0.705 18.340 19.000 0.074 0.000 0.801 76 A HN 0.375 nan 8.150 nan 0.000 0.455 77 F N -1.067 118.926 119.950 0.072 0.000 2.695 77 F HA 0.216 4.743 4.527 -0.000 0.000 0.303 77 F C 1.643 177.453 175.800 0.017 0.000 1.091 77 F CA 0.112 58.129 58.000 0.028 0.000 1.300 77 F CB 0.561 39.561 39.000 -0.000 0.000 1.071 77 F HN -0.053 nan 8.300 nan 0.000 0.578 78 K N 0.539 121.039 120.400 0.167 0.000 2.361 78 K HA 0.385 4.705 4.320 -0.000 0.000 0.196 78 K C 0.847 177.484 176.600 0.061 0.000 1.039 78 K CA 0.651 57.005 56.287 0.111 0.000 1.001 78 K CB -0.001 32.566 32.500 0.112 0.000 0.795 78 K HN 0.264 nan 8.250 nan 0.000 0.495 79 G N 0.832 109.652 108.800 0.033 0.000 2.306 79 G HA2 0.037 3.997 3.960 -0.000 0.000 0.340 79 G HA3 0.037 3.997 3.960 -0.000 0.000 0.340 79 G C -0.662 174.229 174.900 -0.015 0.000 1.630 79 G CA -0.467 44.636 45.100 0.007 0.000 0.937 79 G HN 0.060 nan 8.290 nan 0.000 0.693 80 T N -1.549 112.987 114.554 -0.030 0.000 2.910 80 T HA 0.596 4.946 4.350 -0.000 0.000 0.287 80 T C 1.050 175.729 174.700 -0.035 0.000 1.050 80 T CA -0.345 61.730 62.100 -0.041 0.000 1.011 80 T CB 1.913 70.741 68.868 -0.067 0.000 1.195 80 T HN 0.563 nan 8.240 nan 0.000 0.540 81 Q N 0.224 120.001 119.800 -0.038 0.000 2.541 81 Q HA 0.045 4.385 4.340 -0.000 0.000 0.215 81 Q C 1.004 176.982 176.000 -0.037 0.000 0.977 81 Q CA 0.700 56.483 55.803 -0.035 0.000 0.934 81 Q CB -0.140 28.575 28.738 -0.039 0.000 0.988 81 Q HN 0.509 nan 8.270 nan 0.000 0.521 82 N N -0.138 118.537 118.700 -0.042 0.000 2.325 82 N HA 0.121 4.861 4.740 -0.000 0.000 0.220 82 N C -0.234 175.255 175.510 -0.036 0.000 1.176 82 N CA 0.237 53.263 53.050 -0.040 0.000 0.861 82 N CB 0.985 39.443 38.487 -0.049 0.000 1.230 82 N HN 0.041 nan 8.380 nan 0.000 0.479 83 R N 1.471 121.948 120.500 -0.038 0.000 2.532 83 R HA 0.412 4.752 4.340 -0.000 0.000 0.297 83 R C -2.611 173.676 176.300 -0.022 0.000 0.984 83 R CA -1.416 54.665 56.100 -0.032 0.000 0.884 83 R CB 2.742 33.016 30.300 -0.042 0.000 1.182 83 R HN 0.013 nan 8.270 nan 0.000 0.442 84 P HA -0.013 nan 4.420 nan 0.000 0.275 84 P C -0.081 177.222 177.300 0.006 0.000 1.266 84 P CA -0.294 62.804 63.100 -0.002 0.000 0.793 84 P CB 0.983 32.682 31.700 -0.001 0.000 1.074 85 Q N 0.014 119.825 119.800 0.019 0.000 1.985 85 Q HA -0.251 4.088 4.340 -0.000 0.000 0.207 85 Q C 2.134 178.152 176.000 0.030 0.000 0.996 85 Q CA 1.772 57.597 55.803 0.036 0.000 0.851 85 Q CB -0.470 28.295 28.738 0.045 0.000 0.921 85 Q HN 0.411 nan 8.270 nan 0.000 0.418 86 Q N -0.630 119.181 119.800 0.019 0.000 2.368 86 Q HA -0.137 4.203 4.340 -0.000 0.000 0.210 86 Q C 1.625 177.627 176.000 0.004 0.000 0.982 86 Q CA 1.273 57.083 55.803 0.011 0.000 0.884 86 Q CB -0.146 28.595 28.738 0.006 0.000 0.933 86 Q HN 0.568 nan 8.270 nan 0.000 0.460 87 G N 0.421 109.222 108.800 0.002 0.000 2.408 87 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.215 87 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.215 87 G C 1.422 176.315 174.900 -0.010 0.000 1.156 87 G CA 0.224 45.320 45.100 -0.007 0.000 0.793 87 G HN 0.309 nan 8.290 nan 0.000 0.535 88 I N 0.604 121.173 120.570 -0.002 0.000 2.163 88 I HA -0.105 4.065 4.170 -0.000 0.000 0.240 88 I C 2.718 178.841 176.117 0.009 0.000 1.081 88 I CA 1.119 62.418 61.300 -0.002 0.000 1.353 88 I CB -0.327 37.682 38.000 0.016 0.000 1.054 88 I HN 0.218 nan 8.210 nan 0.000 0.407 89 E N 0.949 121.164 120.200 0.025 0.000 2.013 89 E HA -0.271 4.079 4.350 -0.000 0.000 0.202 89 E C 2.259 178.853 176.600 -0.010 0.000 1.018 89 E CA 1.346 57.755 56.400 0.015 0.000 0.834 89 E CB -0.367 29.341 29.700 0.013 0.000 0.770 89 E HN 0.328 nan 8.360 nan 0.000 0.459 90 L N 1.426 122.642 121.223 -0.011 0.000 2.129 90 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 90 L C 2.198 179.052 176.870 -0.027 0.000 1.087 90 L CA 1.832 56.660 54.840 -0.019 0.000 0.757 90 L CB -0.523 41.527 42.059 -0.014 0.000 0.896 90 L HN 0.256 nan 8.230 nan 0.000 0.434 91 E N -0.489 119.695 120.200 -0.027 0.000 2.072 91 E HA -0.205 4.145 4.350 -0.000 0.000 0.190 91 E C 2.264 178.836 176.600 -0.047 0.000 0.982 91 E CA 0.850 57.228 56.400 -0.036 0.000 0.803 91 E CB 0.166 29.843 29.700 -0.038 0.000 0.755 91 E HN 0.393 nan 8.360 nan 0.000 0.453 92 I N 1.564 122.105 120.570 -0.049 0.000 2.179 92 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 92 I C 2.131 178.188 176.117 -0.100 0.000 1.088 92 I CA 1.447 62.704 61.300 -0.071 0.000 1.357 92 I CB -1.038 36.928 38.000 -0.057 0.000 1.051 92 I HN 0.216 nan 8.210 nan 0.000 0.409 93 E N 0.593 120.743 120.200 -0.084 0.000 2.204 93 E HA -0.176 4.173 4.350 -0.000 0.000 0.194 93 E C 1.693 178.251 176.600 -0.070 0.000 0.989 93 E CA 0.625 56.970 56.400 -0.091 0.000 0.824 93 E CB -0.088 29.575 29.700 -0.061 0.000 0.756 93 E HN 0.506 nan 8.360 nan 0.000 0.477 94 N N 1.040 119.708 118.700 -0.054 0.000 2.331 94 N HA -0.081 4.659 4.740 -0.000 0.000 0.180 94 N C 1.901 177.386 175.510 -0.043 0.000 1.019 94 N CA 0.793 53.818 53.050 -0.041 0.000 0.881 94 N CB 0.075 38.543 38.487 -0.031 0.000 0.972 94 N HN 0.382 nan 8.380 nan 0.000 0.435 95 I N -4.078 116.459 120.570 -0.055 0.000 3.956 95 I HA 0.398 4.568 4.170 -0.000 0.000 0.333 95 I C 0.780 176.860 176.117 -0.062 0.000 1.302 95 I CA -0.075 61.196 61.300 -0.049 0.000 1.122 95 I CB -0.049 37.923 38.000 -0.046 0.000 1.013 95 I HN -0.091 nan 8.210 nan 0.000 0.405 96 G N 1.770 110.514 108.800 -0.094 0.000 2.246 96 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.273 96 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.273 96 G C 0.048 174.822 174.900 -0.211 0.000 1.055 96 G CA 0.446 45.467 45.100 -0.132 0.000 0.851 96 G HN 0.503 nan 8.290 nan 0.000 0.500 97 S N -0.470 115.080 115.700 -0.251 0.000 2.758 97 S HA 0.855 5.325 4.470 -0.000 0.000 0.292 97 S C -0.106 174.196 174.600 -0.496 0.000 1.131 97 S CA -0.724 57.341 58.200 -0.225 0.000 0.997 97 S CB 1.127 64.271 63.200 -0.093 0.000 1.111 97 S HN 0.441 nan 8.310 nan 0.000 0.552 98 H N -0.116 118.955 119.070 0.001 0.000 2.806 98 H HA 0.520 5.076 4.556 -0.000 0.000 0.367 98 H C -1.538 173.764 175.328 -0.043 0.000 1.136 98 H CA -0.604 55.435 56.048 -0.015 0.000 1.178 98 H CB 1.661 31.420 29.762 -0.006 0.000 1.718 98 H HN 0.205 nan 8.280 nan 0.000 0.540 99 L N 3.061 124.319 121.223 0.058 0.000 2.381 99 L HA 0.395 4.734 4.340 -0.000 0.000 0.274 99 L C -0.607 176.252 176.870 -0.018 0.000 0.988 99 L CA -0.338 54.527 54.840 0.041 0.000 0.824 99 L CB 1.130 43.313 42.059 0.206 0.000 1.263 99 L HN 0.601 nan 8.230 nan 0.000 0.410 100 N N 2.628 121.162 118.700 -0.276 0.000 2.610 100 N HA 0.900 5.640 4.740 -0.000 0.000 0.264 100 N C -1.591 173.787 175.510 -0.219 0.000 1.348 100 N CA -0.565 52.294 53.050 -0.318 0.000 0.819 100 N CB 2.468 40.618 38.487 -0.561 0.000 1.521 100 N HN 0.620 nan 8.380 nan 0.000 0.497 101 A N 0.428 123.245 122.820 -0.005 0.000 2.606 101 A HA 0.777 5.097 4.320 -0.000 0.000 0.293 101 A C -2.135 175.454 177.584 0.008 0.000 1.082 101 A CA -0.592 51.356 52.037 -0.148 0.000 0.685 101 A CB 1.422 20.140 19.000 -0.469 0.000 1.284 101 A HN 0.702 nan 8.150 nan 0.000 0.408 102 Y N -2.223 117.991 120.300 -0.143 0.000 2.641 102 Y HA 0.786 5.336 4.550 -0.000 0.000 0.333 102 Y C -0.778 175.094 175.900 -0.046 0.000 1.174 102 Y CA -0.894 57.179 58.100 -0.046 0.000 1.057 102 Y CB 0.989 39.455 38.460 0.010 0.000 1.322 102 Y HN 0.516 nan 8.280 nan 0.000 0.457 103 T N 2.684 117.372 114.554 0.222 0.000 2.809 103 T HA 0.604 4.954 4.350 -0.000 0.000 0.284 103 T C -0.457 174.374 174.700 0.217 0.000 0.992 103 T CA -0.653 61.547 62.100 0.167 0.000 0.957 103 T CB 1.041 70.010 68.868 0.167 0.000 0.942 103 T HN 0.895 nan 8.240 nan 0.000 0.439 104 S N 2.871 118.710 115.700 0.231 0.000 2.747 104 S HA 0.497 4.967 4.470 -0.000 0.000 0.300 104 S C 1.151 175.846 174.600 0.159 0.000 1.121 104 S CA -1.113 57.214 58.200 0.210 0.000 0.995 104 S CB 1.518 64.888 63.200 0.285 0.000 1.113 104 S HN 0.623 nan 8.310 nan 0.000 0.547 105 R N 0.323 120.907 120.500 0.139 0.000 2.152 105 R HA -0.023 4.316 4.340 -0.000 0.000 0.232 105 R C 1.732 178.090 176.300 0.098 0.000 1.117 105 R CA 1.591 57.732 56.100 0.067 0.000 0.981 105 R CB -0.189 30.091 30.300 -0.033 0.000 0.870 105 R HN 0.741 nan 8.270 nan 0.000 0.451 106 E N -0.461 119.852 120.200 0.189 0.000 2.251 106 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 106 E C -0.172 176.540 176.600 0.186 0.000 0.964 106 E CA 0.363 56.882 56.400 0.198 0.000 0.868 106 E CB 0.391 30.276 29.700 0.309 0.000 0.828 106 E HN 0.335 nan 8.360 nan 0.000 0.481 107 N N -0.840 117.976 118.700 0.193 0.000 2.697 107 N HA 0.321 5.061 4.740 -0.000 0.000 0.272 107 N C -1.369 174.209 175.510 0.113 0.000 1.381 107 N CA -0.587 52.558 53.050 0.159 0.000 0.797 107 N CB 2.140 40.724 38.487 0.163 0.000 1.523 107 N HN -0.257 nan 8.380 nan 0.000 0.518 108 T N 0.484 115.077 114.554 0.064 0.000 2.848 108 T HA 0.653 5.003 4.350 -0.000 0.000 0.285 108 T C -1.184 173.416 174.700 -0.168 0.000 0.995 108 T CA -0.513 61.589 62.100 0.004 0.000 0.970 108 T CB 1.145 70.132 68.868 0.199 0.000 0.976 108 T HN 0.193 nan 8.240 nan 0.000 0.441 109 V N 3.687 123.309 119.914 -0.488 0.000 2.686 109 V HA 0.546 4.666 4.120 -0.000 0.000 0.306 109 V C -1.631 174.104 176.094 -0.598 0.000 1.065 109 V CA -0.995 60.881 62.300 -0.707 0.000 0.894 109 V CB 1.633 32.643 31.823 -1.356 0.000 1.004 109 V HN 0.837 nan 8.190 nan 0.000 0.424 110 Y N 4.569 124.676 120.300 -0.321 0.000 2.425 110 Y HA 0.820 5.369 4.550 -0.000 0.000 0.344 110 Y C -0.334 175.550 175.900 -0.028 0.000 0.969 110 Y CA -0.959 57.059 58.100 -0.137 0.000 1.052 110 Y CB 2.114 40.494 38.460 -0.135 0.000 1.215 110 Y HN 0.761 nan 8.280 nan 0.000 0.451 111 Y N -0.239 120.077 120.300 0.028 0.000 2.638 111 Y HA 0.969 5.519 4.550 -0.000 0.000 0.335 111 Y C -1.582 174.376 175.900 0.097 0.000 1.155 111 Y CA -2.004 56.119 58.100 0.039 0.000 1.046 111 Y CB 1.065 39.528 38.460 0.006 0.000 1.303 111 Y HN 0.711 nan 8.280 nan 0.000 0.460 112 A N 1.733 124.663 122.820 0.183 0.000 2.498 112 A HA 0.831 5.150 4.320 -0.000 0.000 0.298 112 A C -1.645 176.057 177.584 0.197 0.000 1.075 112 A CA -1.249 50.849 52.037 0.103 0.000 0.714 112 A CB 1.848 20.883 19.000 0.058 0.000 1.299 112 A HN 0.694 nan 8.150 nan 0.000 0.407 113 K N 0.940 121.450 120.400 0.183 0.000 2.345 113 K HA 0.735 5.055 4.320 -0.000 0.000 0.255 113 K C -0.808 175.883 176.600 0.151 0.000 0.934 113 K CA -0.311 56.095 56.287 0.199 0.000 0.801 113 K CB 2.040 34.688 32.500 0.247 0.000 1.137 113 K HN 0.969 nan 8.250 nan 0.000 0.424 114 S N 1.373 117.137 115.700 0.106 0.000 2.611 114 S HA 0.431 4.901 4.470 -0.000 0.000 0.268 114 S C -1.014 173.616 174.600 0.050 0.000 1.156 114 S CA -1.092 57.144 58.200 0.059 0.000 0.817 114 S CB 0.425 63.636 63.200 0.018 0.000 1.122 114 S HN 0.266 nan 8.310 nan 0.000 0.466 115 L N 2.498 123.739 121.223 0.031 0.000 2.483 115 L HA 0.215 4.555 4.340 -0.000 0.000 0.275 115 L C 2.445 179.331 176.870 0.027 0.000 1.220 115 L CA 0.220 55.078 54.840 0.030 0.000 0.833 115 L CB 0.062 42.133 42.059 0.020 0.000 1.102 115 L HN 0.973 nan 8.230 nan 0.000 0.490 116 Q N 0.597 120.419 119.800 0.036 0.000 2.197 116 Q HA -0.273 4.067 4.340 -0.000 0.000 0.207 116 Q C 1.135 177.150 176.000 0.026 0.000 0.984 116 Q CA 2.082 57.910 55.803 0.043 0.000 0.869 116 Q CB -0.310 28.464 28.738 0.061 0.000 0.906 116 Q HN 0.757 nan 8.270 nan 0.000 0.426 117 E N 1.607 121.818 120.200 0.020 0.000 2.160 117 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 117 E C 0.981 177.569 176.600 -0.019 0.000 0.991 117 E CA 1.480 57.886 56.400 0.009 0.000 0.810 117 E CB -0.005 29.701 29.700 0.010 0.000 0.742 117 E HN 0.519 nan 8.360 nan 0.000 0.466 118 D N 0.013 120.398 120.400 -0.025 0.000 2.328 118 D HA 0.018 4.658 4.640 -0.000 0.000 0.221 118 D C 1.334 177.585 176.300 -0.081 0.000 1.072 118 D CA 0.006 53.974 54.000 -0.053 0.000 0.850 118 D CB 0.203 40.977 40.800 -0.042 0.000 0.922 118 D HN 0.107 nan 8.370 nan 0.000 0.516 119 I N 2.327 122.853 120.570 -0.074 0.000 2.151 119 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 119 I C -0.330 175.669 176.117 -0.197 0.000 1.080 119 I CA 1.453 62.702 61.300 -0.085 0.000 1.339 119 I CB -2.540 35.433 38.000 -0.045 0.000 1.039 119 I HN 0.065 nan 8.210 nan 0.000 0.409 120 P HA -0.218 nan 4.420 nan 0.000 0.214 120 P C 1.679 178.761 177.300 -0.362 0.000 1.163 120 P CA 1.766 64.516 63.100 -0.584 0.000 0.883 120 P CB -0.091 31.096 31.700 -0.856 0.000 0.788 121 K N 0.702 120.952 120.400 -0.250 0.000 2.113 121 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 121 K C 2.101 178.566 176.600 -0.224 0.000 1.047 121 K CA 1.815 57.973 56.287 -0.215 0.000 0.928 121 K CB -1.271 31.152 32.500 -0.129 0.000 0.716 121 K HN 0.038 nan 8.250 nan 0.000 0.446 122 A N 0.027 122.747 122.820 -0.168 0.000 1.845 122 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 122 A C 2.321 179.837 177.584 -0.114 0.000 1.195 122 A CA 1.976 53.949 52.037 -0.106 0.000 0.616 122 A CB -0.936 18.039 19.000 -0.043 0.000 0.832 122 A HN 0.116 nan 8.150 nan 0.000 0.443 123 V N 0.964 120.807 119.914 -0.118 0.000 2.332 123 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 123 V C 2.405 178.353 176.094 -0.244 0.000 1.055 123 V CA 2.517 64.807 62.300 -0.016 0.000 1.038 123 V CB -0.980 30.904 31.823 0.102 0.000 0.651 123 V HN 0.723 nan 8.190 nan 0.000 0.450 124 D N 0.472 120.458 120.400 -0.691 0.000 2.087 124 D HA -0.188 4.452 4.640 -0.000 0.000 0.192 124 D C 1.980 178.011 176.300 -0.447 0.000 0.993 124 D CA 1.875 55.275 54.000 -1.000 0.000 0.828 124 D CB -0.274 39.904 40.800 -1.036 0.000 0.968 124 D HN 0.413 nan 8.370 nan 0.000 0.448 125 I N 0.037 120.426 120.570 -0.302 0.000 2.286 125 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 125 I C 2.552 178.559 176.117 -0.184 0.000 1.115 125 I CA 0.537 61.715 61.300 -0.203 0.000 1.392 125 I CB -0.214 37.698 38.000 -0.147 0.000 1.065 125 I HN 0.132 nan 8.210 nan 0.000 0.418 126 L N 0.406 121.553 121.223 -0.127 0.000 2.017 126 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 126 L C 2.897 179.693 176.870 -0.122 0.000 1.073 126 L CA 1.962 56.769 54.840 -0.054 0.000 0.745 126 L CB -0.682 41.455 42.059 0.131 0.000 0.894 126 L HN 0.380 nan 8.230 nan 0.000 0.432 127 S N -0.914 114.609 115.700 -0.294 0.000 2.356 127 S HA -0.264 4.205 4.470 -0.000 0.000 0.223 127 S C 1.709 176.101 174.600 -0.346 0.000 1.032 127 S CA 1.462 59.227 58.200 -0.726 0.000 1.005 127 S CB -0.576 61.913 63.200 -1.185 0.000 0.867 127 S HN 0.412 nan 8.310 nan 0.000 0.449 128 D N 1.653 121.893 120.400 -0.266 0.000 2.104 128 D HA -0.069 4.571 4.640 -0.000 0.000 0.194 128 D C 1.759 177.954 176.300 -0.175 0.000 0.994 128 D CA 1.488 55.377 54.000 -0.184 0.000 0.830 128 D CB -0.429 40.271 40.800 -0.166 0.000 0.959 128 D HN 0.537 nan 8.370 nan 0.000 0.452 129 I N -0.261 120.174 120.570 -0.226 0.000 2.315 129 I HA -0.189 3.981 4.170 -0.000 0.000 0.248 129 I C 2.269 178.201 176.117 -0.307 0.000 1.117 129 I CA 0.400 61.536 61.300 -0.273 0.000 1.404 129 I CB -0.121 37.653 38.000 -0.377 0.000 1.071 129 I HN 0.129 nan 8.210 nan 0.000 0.419 130 L N 0.526 121.537 121.223 -0.353 0.000 2.072 130 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 130 L C 2.444 179.331 176.870 0.028 0.000 1.079 130 L CA 2.325 56.975 54.840 -0.316 0.000 0.752 130 L CB -0.508 41.350 42.059 -0.336 0.000 0.906 130 L HN 0.369 nan 8.230 nan 0.000 0.436 131 T N -5.347 109.220 114.554 0.023 0.000 2.990 131 T HA 0.119 4.469 4.350 -0.000 0.000 0.249 131 T C 1.181 175.923 174.700 0.071 0.000 1.039 131 T CA -0.070 62.109 62.100 0.131 0.000 1.036 131 T CB -0.054 68.945 68.868 0.218 0.000 0.994 131 T HN 0.208 nan 8.240 nan 0.000 0.489 132 K N 2.823 123.221 120.400 -0.003 0.000 2.861 132 K HA 0.298 4.618 4.320 -0.000 0.000 0.210 132 K C -0.285 176.293 176.600 -0.037 0.000 1.112 132 K CA -0.289 55.982 56.287 -0.027 0.000 1.076 132 K CB 0.845 33.307 32.500 -0.064 0.000 0.853 132 K HN 0.417 nan 8.250 nan 0.000 0.463 133 S N -0.441 115.243 115.700 -0.027 0.000 2.528 133 S HA 0.089 4.559 4.470 -0.000 0.000 0.277 133 S C 1.579 176.172 174.600 -0.012 0.000 1.297 133 S CA -0.841 57.344 58.200 -0.026 0.000 1.052 133 S CB 1.708 64.899 63.200 -0.015 0.000 0.917 133 S HN -0.052 nan 8.310 nan 0.000 0.492 134 V N 3.296 123.204 119.914 -0.011 0.000 2.287 134 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 134 V C 1.401 177.494 176.094 -0.002 0.000 1.053 134 V CA 1.646 63.942 62.300 -0.006 0.000 1.027 134 V CB -1.359 30.463 31.823 -0.002 0.000 0.646 134 V HN 0.962 nan 8.190 nan 0.000 0.447 135 L N 0.358 121.586 121.223 0.010 0.000 3.548 135 L HA -0.198 4.142 4.340 -0.000 0.000 0.443 135 L C 0.158 177.030 176.870 0.002 0.000 1.286 135 L CA 0.069 54.914 54.840 0.008 0.000 0.863 135 L CB -1.735 40.318 42.059 -0.011 0.000 1.734 135 L HN 0.484 nan 8.230 nan 0.000 0.873 136 D N 0.162 120.570 120.400 0.013 0.000 2.493 136 D HA 0.026 4.666 4.640 -0.000 0.000 0.240 136 D C 1.314 177.619 176.300 0.009 0.000 1.142 136 D CA 0.552 54.558 54.000 0.009 0.000 0.872 136 D CB 0.563 41.373 40.800 0.017 0.000 1.173 136 D HN 0.279 nan 8.370 nan 0.000 0.467 137 N N 1.595 120.294 118.700 -0.002 0.000 2.205 137 N HA -0.222 4.517 4.740 -0.000 0.000 0.186 137 N C 1.575 177.090 175.510 0.009 0.000 1.015 137 N CA 0.789 53.835 53.050 -0.007 0.000 0.862 137 N CB 0.028 38.508 38.487 -0.012 0.000 0.986 137 N HN 0.366 nan 8.380 nan 0.000 0.429 138 S N 0.838 116.548 115.700 0.016 0.000 2.356 138 S HA -0.103 4.367 4.470 -0.000 0.000 0.223 138 S C 2.082 176.707 174.600 0.041 0.000 1.032 138 S CA 1.197 59.411 58.200 0.024 0.000 1.005 138 S CB -0.290 62.922 63.200 0.021 0.000 0.867 138 S HN 0.373 nan 8.310 nan 0.000 0.449 139 A N 1.794 124.643 122.820 0.048 0.000 1.883 139 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 139 A C 2.169 179.822 177.584 0.115 0.000 1.186 139 A CA 1.730 53.812 52.037 0.075 0.000 0.624 139 A CB -1.016 18.029 19.000 0.076 0.000 0.822 139 A HN 0.656 nan 8.150 nan 0.000 0.444 140 I N -0.338 120.290 120.570 0.097 0.000 2.399 140 I HA -0.243 3.927 4.170 -0.000 0.000 0.254 140 I C 2.261 178.469 176.117 0.152 0.000 1.146 140 I CA 1.266 62.634 61.300 0.113 0.000 1.412 140 I CB -0.323 37.649 38.000 -0.047 0.000 1.076 140 I HN 0.352 nan 8.210 nan 0.000 0.432 141 E N 0.604 120.862 120.200 0.096 0.000 2.102 141 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 141 E C 2.238 178.897 176.600 0.099 0.000 0.971 141 E CA 0.611 57.065 56.400 0.091 0.000 0.821 141 E CB -0.187 29.541 29.700 0.048 0.000 0.777 141 E HN 0.446 nan 8.360 nan 0.000 0.460 142 R N 0.849 121.398 120.500 0.081 0.000 2.120 142 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 142 R C 2.104 178.441 176.300 0.061 0.000 1.123 142 R CA 1.096 57.233 56.100 0.062 0.000 0.975 142 R CB -0.029 30.302 30.300 0.051 0.000 0.866 142 R HN 0.016 nan 8.270 nan 0.000 0.446 143 E N 0.760 121.018 120.200 0.097 0.000 2.152 143 E HA -0.098 4.251 4.350 -0.000 0.000 0.192 143 E C 1.686 178.237 176.600 -0.081 0.000 0.983 143 E CA 1.016 57.430 56.400 0.024 0.000 0.818 143 E CB 0.113 29.863 29.700 0.083 0.000 0.758 143 E HN 0.201 nan 8.360 nan 0.000 0.467 144 R N 0.559 121.116 120.500 0.094 0.000 2.133 144 R HA -0.182 4.158 4.340 -0.000 0.000 0.247 144 R C 2.014 178.300 176.300 -0.024 0.000 1.151 144 R CA 1.578 57.726 56.100 0.080 0.000 0.971 144 R CB -0.506 29.899 30.300 0.176 0.000 0.866 144 R HN 0.274 nan 8.270 nan 0.000 0.447 145 D N 0.589 120.986 120.400 -0.005 0.000 2.149 145 D HA -0.085 4.554 4.640 -0.000 0.000 0.201 145 D C 1.880 178.159 176.300 -0.035 0.000 0.972 145 D CA 0.858 54.851 54.000 -0.011 0.000 0.835 145 D CB 0.280 41.084 40.800 0.005 0.000 0.966 145 D HN 0.024 nan 8.370 nan 0.000 0.476 146 V N 1.698 121.582 119.914 -0.051 0.000 2.343 146 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 146 V C 2.595 178.645 176.094 -0.074 0.000 1.051 146 V CA 0.924 63.200 62.300 -0.040 0.000 1.036 146 V CB -0.340 31.479 31.823 -0.007 0.000 0.654 146 V HN 0.272 nan 8.190 nan 0.000 0.451 147 I N -0.190 120.257 120.570 -0.205 0.000 2.252 147 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 147 I C 2.442 178.505 176.117 -0.090 0.000 1.102 147 I CA 1.517 62.679 61.300 -0.230 0.000 1.385 147 I CB -1.054 36.682 38.000 -0.440 0.000 1.064 147 I HN 0.234 nan 8.210 nan 0.000 0.414 148 I N 0.732 121.261 120.570 -0.069 0.000 2.179 148 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 148 I C 2.709 178.816 176.117 -0.018 0.000 1.088 148 I CA 1.293 62.576 61.300 -0.028 0.000 1.357 148 I CB -1.270 36.722 38.000 -0.013 0.000 1.051 148 I HN 0.201 nan 8.210 nan 0.000 0.409 149 R N 0.937 121.427 120.500 -0.016 0.000 2.083 149 R HA -0.203 4.137 4.340 -0.000 0.000 0.237 149 R C 2.314 178.611 176.300 -0.005 0.000 1.137 149 R CA 1.682 57.777 56.100 -0.008 0.000 0.951 149 R CB -0.353 29.944 30.300 -0.005 0.000 0.851 149 R HN 0.388 nan 8.270 nan 0.000 0.434 150 E N -0.772 119.429 120.200 0.003 0.000 2.085 150 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 150 E C 1.792 178.387 176.600 -0.009 0.000 0.994 150 E CA 1.518 57.927 56.400 0.015 0.000 0.801 150 E CB -0.131 29.609 29.700 0.068 0.000 0.743 150 E HN 0.273 nan 8.360 nan 0.000 0.453 151 S N 0.037 115.728 115.700 -0.016 0.000 2.382 151 S HA -0.183 4.287 4.470 -0.000 0.000 0.228 151 S C 1.674 176.266 174.600 -0.013 0.000 1.027 151 S CA 1.465 59.652 58.200 -0.021 0.000 0.991 151 S CB -0.171 63.019 63.200 -0.017 0.000 0.823 151 S HN 0.296 nan 8.310 nan 0.000 0.469 152 E N 0.120 120.314 120.200 -0.009 0.000 2.204 152 E HA -0.084 4.265 4.350 -0.000 0.000 0.194 152 E C 2.067 178.656 176.600 -0.018 0.000 0.989 152 E CA 0.932 57.328 56.400 -0.006 0.000 0.824 152 E CB 0.029 29.727 29.700 -0.003 0.000 0.756 152 E HN 0.458 nan 8.360 nan 0.000 0.477 153 E N 0.130 120.315 120.200 -0.025 0.000 2.158 153 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 153 E C 2.191 178.757 176.600 -0.058 0.000 0.982 153 E CA 0.519 56.895 56.400 -0.040 0.000 0.823 153 E CB -0.059 29.621 29.700 -0.033 0.000 0.766 153 E HN 0.128 nan 8.360 nan 0.000 0.468 154 V N 2.119 122.005 119.914 -0.047 0.000 2.548 154 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 154 V C 1.563 177.626 176.094 -0.052 0.000 1.055 154 V CA 1.509 63.777 62.300 -0.052 0.000 1.065 154 V CB -0.382 31.416 31.823 -0.041 0.000 0.681 154 V HN 0.120 nan 8.190 nan 0.000 0.462 155 D N 0.321 120.704 120.400 -0.028 0.000 2.351 155 D HA -0.125 4.514 4.640 -0.000 0.000 0.216 155 D C 1.906 178.182 176.300 -0.041 0.000 0.968 155 D CA 0.964 54.965 54.000 0.002 0.000 0.899 155 D CB -0.030 40.786 40.800 0.026 0.000 0.907 155 D HN 0.474 nan 8.370 nan 0.000 0.514 156 K N -0.451 119.866 120.400 -0.138 0.000 2.374 156 K HA 0.206 4.526 4.320 -0.000 0.000 0.196 156 K C 0.578 176.832 176.600 -0.576 0.000 1.023 156 K CA 0.038 56.140 56.287 -0.308 0.000 1.103 156 K CB 0.522 32.908 32.500 -0.189 0.000 0.848 156 K HN 0.045 nan 8.250 nan 0.000 0.528 157 M N 1.494 120.870 119.600 -0.374 0.000 2.385 157 M HA 0.187 4.667 4.480 -0.000 0.000 0.346 157 M C -0.401 175.752 176.300 -0.244 0.000 1.180 157 M CA -0.515 54.593 55.300 -0.320 0.000 1.154 157 M CB 0.445 32.955 32.600 -0.150 0.000 1.251 157 M HN -0.012 nan 8.290 nan 0.000 0.430 158 Y N 0.839 121.039 120.300 -0.166 0.000 2.241 158 Y HA -0.302 4.248 4.550 -0.000 0.000 0.286 158 Y C 2.223 177.973 175.900 -0.250 0.000 1.166 158 Y CA 1.585 59.489 58.100 -0.327 0.000 1.203 158 Y CB -0.936 37.033 38.460 -0.818 0.000 0.977 158 Y HN 0.637 nan 8.280 nan 0.000 0.529 159 D N 0.013 120.410 120.400 -0.005 0.000 2.097 159 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 159 D C 1.542 177.796 176.300 -0.077 0.000 0.989 159 D CA 1.389 55.310 54.000 -0.131 0.000 0.827 159 D CB -0.523 40.199 40.800 -0.130 0.000 0.966 159 D HN 0.314 nan 8.370 nan 0.000 0.456 160 E N 0.688 120.894 120.200 0.010 0.000 2.077 160 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 160 E C 2.593 179.239 176.600 0.076 0.000 0.989 160 E CA 0.618 57.056 56.400 0.064 0.000 0.800 160 E CB -0.336 29.368 29.700 0.007 0.000 0.746 160 E HN 0.267 nan 8.360 nan 0.000 0.452 161 V N 1.276 121.216 119.914 0.043 0.000 2.295 161 V HA -0.216 3.903 4.120 -0.000 0.000 0.246 161 V C 2.622 178.766 176.094 0.083 0.000 1.049 161 V CA 1.360 63.714 62.300 0.089 0.000 1.024 161 V CB -0.605 31.254 31.823 0.060 0.000 0.648 161 V HN 0.053 nan 8.190 nan 0.000 0.447 162 V N -0.729 119.147 119.914 -0.063 0.000 2.295 162 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 162 V C 2.211 178.235 176.094 -0.118 0.000 1.049 162 V CA 2.161 64.367 62.300 -0.157 0.000 1.024 162 V CB -0.728 30.933 31.823 -0.271 0.000 0.648 162 V HN 0.454 nan 8.190 nan 0.000 0.447 163 F N 0.149 120.104 119.950 0.009 0.000 2.293 163 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 163 F C 2.235 178.145 175.800 0.184 0.000 1.086 163 F CA 1.055 59.081 58.000 0.042 0.000 1.375 163 F CB -0.557 38.400 39.000 -0.073 0.000 1.045 163 F HN 0.214 nan 8.300 nan 0.000 0.516 164 D N -1.087 119.484 120.400 0.285 0.000 2.123 164 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 164 D C 2.047 178.461 176.300 0.190 0.000 0.976 164 D CA 1.314 55.427 54.000 0.189 0.000 0.831 164 D CB -0.331 40.532 40.800 0.106 0.000 0.974 164 D HN 0.286 nan 8.370 nan 0.000 0.469 165 H N 0.068 119.191 119.070 0.089 0.000 2.389 165 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 165 H C 1.863 177.227 175.328 0.061 0.000 1.081 165 H CA 0.626 56.707 56.048 0.055 0.000 1.345 165 H CB -0.169 29.600 29.762 0.013 0.000 1.393 165 H HN 0.029 nan 8.280 nan 0.000 0.520 166 L N -0.083 121.265 121.223 0.208 0.000 2.046 166 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 166 L C 1.806 178.721 176.870 0.075 0.000 1.077 166 L CA 1.867 56.776 54.840 0.115 0.000 0.747 166 L CB -0.550 41.599 42.059 0.150 0.000 0.896 166 L HN 0.258 nan 8.230 nan 0.000 0.432 167 H N -0.740 118.407 119.070 0.129 0.000 2.387 167 H HA -0.155 4.401 4.556 -0.000 0.000 0.299 167 H C 2.210 177.608 175.328 0.116 0.000 1.090 167 H CA 1.768 57.924 56.048 0.181 0.000 1.332 167 H CB 0.081 29.975 29.762 0.220 0.000 1.386 167 H HN 0.499 nan 8.280 nan 0.000 0.516 168 E N 0.422 120.721 120.200 0.165 0.000 2.058 168 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 168 E C 2.045 178.656 176.600 0.018 0.000 0.997 168 E CA 1.671 58.108 56.400 0.063 0.000 0.801 168 E CB -0.044 29.636 29.700 -0.033 0.000 0.746 168 E HN 0.675 nan 8.360 nan 0.000 0.450 169 I N -2.181 118.377 120.570 -0.020 0.000 2.716 169 I HA -0.036 4.133 4.170 -0.000 0.000 0.259 169 I C 1.929 177.944 176.117 -0.170 0.000 1.172 169 I CA 0.952 62.210 61.300 -0.070 0.000 1.478 169 I CB -0.253 37.708 38.000 -0.066 0.000 1.104 169 I HN -0.085 nan 8.210 nan 0.000 0.439 170 T N 0.422 114.805 114.554 -0.286 0.000 2.857 170 T HA -0.055 4.294 4.350 -0.000 0.000 0.266 170 T C 0.430 174.771 174.700 -0.599 0.000 1.048 170 T CA 1.400 63.117 62.100 -0.639 0.000 1.139 170 T CB -0.308 68.007 68.868 -0.922 0.000 0.874 170 T HN 0.348 nan 8.240 nan 0.000 0.455 171 Y N 1.642 121.856 120.300 -0.143 0.000 2.783 171 Y HA 0.505 5.055 4.550 -0.000 0.000 0.382 171 Y C 0.295 176.169 175.900 -0.045 0.000 1.076 171 Y CA -1.708 56.346 58.100 -0.075 0.000 1.530 171 Y CB -0.208 38.233 38.460 -0.031 0.000 1.546 171 Y HN -0.142 nan 8.280 nan 0.000 0.537 172 K N 1.974 122.399 120.400 0.041 0.000 2.504 172 K HA -0.087 4.233 4.320 -0.000 0.000 0.278 172 K C 0.283 176.912 176.600 0.048 0.000 1.025 172 K CA 0.825 57.129 56.287 0.029 0.000 1.093 172 K CB -0.115 32.384 32.500 -0.001 0.000 0.873 172 K HN 0.450 nan 8.250 nan 0.000 0.483 173 D N 2.704 123.128 120.400 0.040 0.000 2.737 173 D HA -0.232 4.408 4.640 -0.000 0.000 0.233 173 D C -0.610 175.714 176.300 0.040 0.000 1.155 173 D CA 1.055 55.076 54.000 0.034 0.000 0.667 173 D CB -0.726 40.090 40.800 0.027 0.000 1.060 173 D HN 0.654 nan 8.370 nan 0.000 0.427 174 Q N -1.574 118.257 119.800 0.053 0.000 2.458 174 Q HA 0.366 4.706 4.340 -0.000 0.000 0.282 174 Q C -1.870 174.132 176.000 0.004 0.000 1.106 174 Q CA -1.822 54.002 55.803 0.035 0.000 0.814 174 Q CB 1.870 30.644 28.738 0.060 0.000 1.425 174 Q HN -0.199 nan 8.270 nan 0.000 0.437 175 P HA -0.178 nan 4.420 nan 0.000 0.215 175 P C 1.043 178.284 177.300 -0.099 0.000 1.157 175 P CA 0.967 64.039 63.100 -0.046 0.000 0.868 175 P CB 0.233 31.904 31.700 -0.047 0.000 0.788 176 L N -0.712 120.380 121.223 -0.219 0.000 2.265 176 L HA -0.011 4.329 4.340 -0.000 0.000 0.215 176 L C 2.191 178.998 176.870 -0.106 0.000 1.117 176 L CA 1.713 56.327 54.840 -0.377 0.000 0.782 176 L CB -1.789 39.702 42.059 -0.946 0.000 0.914 176 L HN 0.000 nan 8.230 nan 0.000 0.441 177 G N -1.253 107.565 108.800 0.031 0.000 2.744 177 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.211 177 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.211 177 G C 0.935 175.886 174.900 0.085 0.000 1.143 177 G CA -0.186 45.014 45.100 0.166 0.000 0.788 177 G HN 0.268 nan 8.290 nan 0.000 0.534 178 R N 0.361 120.874 120.500 0.022 0.000 2.536 178 R HA 0.463 4.803 4.340 -0.000 0.000 0.279 178 R C 0.606 176.890 176.300 -0.027 0.000 1.001 178 R CA -0.272 55.827 56.100 -0.000 0.000 1.027 178 R CB 0.874 31.174 30.300 0.001 0.000 1.096 178 R HN 0.180 nan 8.270 nan 0.000 0.502 179 T N -1.783 112.751 114.554 -0.033 0.000 2.754 179 T HA 0.221 4.571 4.350 -0.000 0.000 0.286 179 T C 1.432 176.101 174.700 -0.051 0.000 0.997 179 T CA -0.549 61.517 62.100 -0.056 0.000 0.982 179 T CB 0.568 69.405 68.868 -0.052 0.000 1.027 179 T HN 0.481 nan 8.240 nan 0.000 0.529 180 I N 0.057 120.584 120.570 -0.073 0.000 2.480 180 I HA 0.013 4.183 4.170 -0.000 0.000 0.251 180 I C 2.083 178.143 176.117 -0.096 0.000 1.124 180 I CA 0.450 61.710 61.300 -0.068 0.000 1.444 180 I CB -0.251 37.697 38.000 -0.086 0.000 1.098 180 I HN 0.446 nan 8.210 nan 0.000 0.428 181 L N 0.658 121.787 121.223 -0.157 0.000 2.156 181 L HA 0.147 4.487 4.340 -0.000 0.000 0.208 181 L C 1.152 178.015 176.870 -0.012 0.000 1.095 181 L CA 1.228 55.981 54.840 -0.145 0.000 0.770 181 L CB -1.091 40.870 42.059 -0.164 0.000 0.914 181 L HN 0.386 nan 8.230 nan 0.000 0.439 182 G N -1.545 107.246 108.800 -0.015 0.000 2.746 182 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.685 182 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.685 182 G C -2.653 172.252 174.900 0.009 0.000 1.350 182 G CA -0.755 44.352 45.100 0.011 0.000 0.837 182 G HN 0.065 nan 8.290 nan 0.000 0.564 183 P HA 0.362 nan 4.420 nan 0.000 0.272 183 P C 1.490 178.804 177.300 0.023 0.000 1.223 183 P CA -0.777 62.330 63.100 0.012 0.000 0.784 183 P CB 0.481 32.187 31.700 0.011 0.000 0.923 184 I N 1.196 121.778 120.570 0.020 0.000 2.208 184 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 184 I C 2.170 178.307 176.117 0.033 0.000 1.097 184 I CA 1.785 63.100 61.300 0.025 0.000 1.363 184 I CB -1.043 36.970 38.000 0.021 0.000 1.051 184 I HN 0.594 nan 8.210 nan 0.000 0.413 185 K N 1.204 121.621 120.400 0.028 0.000 2.052 185 K HA -0.279 4.041 4.320 -0.000 0.000 0.215 185 K C 1.832 178.453 176.600 0.035 0.000 1.053 185 K CA 2.491 58.794 56.287 0.027 0.000 0.934 185 K CB -0.088 32.425 32.500 0.021 0.000 0.717 185 K HN 0.257 nan 8.250 nan 0.000 0.450 186 N N 0.572 119.295 118.700 0.039 0.000 2.188 186 N HA -0.060 4.680 4.740 -0.000 0.000 0.184 186 N C 1.714 177.276 175.510 0.086 0.000 1.018 186 N CA 1.225 54.305 53.050 0.049 0.000 0.858 186 N CB -0.108 38.409 38.487 0.049 0.000 0.989 186 N HN 0.251 nan 8.380 nan 0.000 0.426 187 I N 0.560 121.193 120.570 0.105 0.000 2.423 187 I HA -0.266 3.904 4.170 -0.000 0.000 0.254 187 I C 1.551 177.780 176.117 0.187 0.000 1.151 187 I CA 1.228 62.634 61.300 0.176 0.000 1.421 187 I CB -0.121 37.932 38.000 0.088 0.000 1.079 187 I HN 0.168 nan 8.210 nan 0.000 0.431 188 K N 0.082 120.542 120.400 0.100 0.000 2.323 188 K HA 0.032 4.352 4.320 -0.000 0.000 0.197 188 K C 1.892 178.517 176.600 0.043 0.000 1.043 188 K CA 1.084 57.416 56.287 0.074 0.000 0.997 188 K CB 0.195 32.724 32.500 0.047 0.000 0.807 188 K HN 0.307 nan 8.250 nan 0.000 0.497 189 S N 0.055 115.772 115.700 0.029 0.000 2.523 189 S HA 0.180 4.649 4.470 -0.000 0.000 0.217 189 S C 0.691 175.267 174.600 -0.039 0.000 0.996 189 S CA -0.492 57.707 58.200 -0.003 0.000 0.921 189 S CB 0.099 63.301 63.200 0.003 0.000 0.829 189 S HN -0.055 nan 8.310 nan 0.000 0.495 190 I N 4.673 125.205 120.570 -0.063 0.000 2.668 190 I HA 0.128 4.298 4.170 -0.000 0.000 0.285 190 I C 1.010 176.992 176.117 -0.225 0.000 1.168 190 I CA 0.686 61.890 61.300 -0.161 0.000 1.424 190 I CB -0.189 37.642 38.000 -0.282 0.000 1.377 190 I HN 0.409 nan 8.210 nan 0.000 0.560 191 T N 3.421 117.869 114.554 -0.176 0.000 2.950 191 T HA 0.385 4.735 4.350 -0.000 0.000 0.288 191 T C 1.045 175.645 174.700 -0.168 0.000 1.035 191 T CA -0.884 61.123 62.100 -0.156 0.000 1.028 191 T CB 1.941 70.755 68.868 -0.090 0.000 1.109 191 T HN 0.647 nan 8.240 nan 0.000 0.514 192 R N 0.228 120.643 120.500 -0.140 0.000 2.200 192 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 192 R C 1.714 177.963 176.300 -0.085 0.000 1.127 192 R CA 1.914 57.944 56.100 -0.117 0.000 0.989 192 R CB -0.901 29.351 30.300 -0.081 0.000 0.869 192 R HN 0.822 nan 8.270 nan 0.000 0.459 193 T N 0.777 115.288 114.554 -0.072 0.000 2.770 193 T HA -0.092 4.258 4.350 -0.000 0.000 0.263 193 T C 1.074 175.746 174.700 -0.045 0.000 1.039 193 T CA 1.298 63.368 62.100 -0.050 0.000 1.142 193 T CB -0.273 68.571 68.868 -0.040 0.000 0.868 193 T HN 0.320 nan 8.240 nan 0.000 0.435 194 D N 1.553 121.920 120.400 -0.055 0.000 2.116 194 D HA -0.088 4.552 4.640 -0.000 0.000 0.193 194 D C 2.210 178.498 176.300 -0.020 0.000 0.998 194 D CA 0.967 54.946 54.000 -0.035 0.000 0.836 194 D CB -0.436 40.328 40.800 -0.061 0.000 0.951 194 D HN 0.315 nan 8.370 nan 0.000 0.449 195 L N 0.630 121.810 121.223 -0.073 0.000 1.989 195 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 195 L C 2.496 179.349 176.870 -0.028 0.000 1.071 195 L CA 1.339 56.141 54.840 -0.063 0.000 0.749 195 L CB -0.488 41.505 42.059 -0.109 0.000 0.890 195 L HN -0.019 nan 8.230 nan 0.000 0.431 196 K N -0.381 119.992 120.400 -0.045 0.000 2.211 196 K HA -0.144 4.176 4.320 -0.000 0.000 0.203 196 K C 1.692 178.261 176.600 -0.051 0.000 1.050 196 K CA 0.961 57.217 56.287 -0.053 0.000 0.945 196 K CB -0.100 32.373 32.500 -0.045 0.000 0.732 196 K HN 0.339 nan 8.250 nan 0.000 0.451 197 D N 0.041 120.427 120.400 -0.024 0.000 2.117 197 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 197 D C 1.751 178.035 176.300 -0.027 0.000 0.982 197 D CA 1.028 55.015 54.000 -0.022 0.000 0.828 197 D CB -0.084 40.714 40.800 -0.003 0.000 0.967 197 D HN 0.161 nan 8.370 nan 0.000 0.464 198 Y N 1.743 121.976 120.300 -0.111 0.000 2.145 198 Y HA -0.178 4.371 4.550 -0.000 0.000 0.286 198 Y C 2.285 178.038 175.900 -0.245 0.000 1.145 198 Y CA 1.294 59.325 58.100 -0.115 0.000 1.148 198 Y CB -0.352 38.062 38.460 -0.077 0.000 0.981 198 Y HN -0.098 nan 8.280 nan 0.000 0.507 199 I N -0.808 119.652 120.570 -0.184 0.000 2.127 199 I HA -0.384 3.786 4.170 -0.000 0.000 0.241 199 I C 2.287 178.143 176.117 -0.436 0.000 1.075 199 I CA 1.998 62.894 61.300 -0.675 0.000 1.334 199 I CB -0.853 36.857 38.000 -0.484 0.000 1.040 199 I HN 0.217 nan 8.210 nan 0.000 0.405 200 T N 0.563 114.991 114.554 -0.210 0.000 2.684 200 T HA -0.262 4.088 4.350 -0.000 0.000 0.267 200 T C 1.949 176.589 174.700 -0.099 0.000 1.036 200 T CA 1.783 63.816 62.100 -0.110 0.000 1.148 200 T CB -0.222 68.604 68.868 -0.069 0.000 0.863 200 T HN 0.319 nan 8.240 nan 0.000 0.436 201 K N 0.635 120.952 120.400 -0.138 0.000 2.025 201 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 201 K C 1.935 178.455 176.600 -0.133 0.000 1.049 201 K CA 1.369 57.577 56.287 -0.131 0.000 0.933 201 K CB -0.012 32.393 32.500 -0.158 0.000 0.714 201 K HN 0.232 nan 8.250 nan 0.000 0.438 202 N N -0.542 118.033 118.700 -0.209 0.000 2.402 202 N HA -0.060 4.680 4.740 -0.000 0.000 0.174 202 N C -0.130 175.494 175.510 0.190 0.000 1.027 202 N CA 0.426 53.424 53.050 -0.087 0.000 0.891 202 N CB 0.142 38.450 38.487 -0.299 0.000 1.016 202 N HN 0.116 nan 8.380 nan 0.000 0.439 203 Y N 2.638 122.907 120.300 -0.051 0.000 2.530 203 Y HA 0.163 4.713 4.550 -0.000 0.000 0.340 203 Y C 0.362 176.257 175.900 -0.009 0.000 1.247 203 Y CA -0.330 57.769 58.100 -0.001 0.000 1.727 203 Y CB -0.704 37.772 38.460 0.027 0.000 1.613 203 Y HN -0.312 nan 8.280 nan 0.000 0.464 204 K N 0.187 120.659 120.400 0.120 0.000 2.259 204 K HA 0.410 4.730 4.320 -0.000 0.000 0.252 204 K C 1.196 177.812 176.600 0.027 0.000 0.936 204 K CA -0.338 55.983 56.287 0.057 0.000 0.810 204 K CB 2.084 34.606 32.500 0.035 0.000 1.143 204 K HN 0.559 nan 8.250 nan 0.000 0.427 205 G N 2.068 110.877 108.800 0.014 0.000 2.469 205 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 205 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 205 G C 0.815 175.709 174.900 -0.010 0.000 1.150 205 G CA 1.132 46.230 45.100 -0.002 0.000 0.763 205 G HN 0.789 nan 8.290 nan 0.000 0.561 206 D N -0.065 120.335 120.400 -0.001 0.000 2.378 206 D HA -0.046 4.594 4.640 -0.000 0.000 0.227 206 D C 1.814 178.113 176.300 -0.002 0.000 1.012 206 D CA 0.297 54.296 54.000 -0.003 0.000 0.905 206 D CB -0.152 40.649 40.800 0.002 0.000 0.895 206 D HN 0.316 nan 8.370 nan 0.000 0.532 207 R N -0.257 120.244 120.500 0.002 0.000 2.546 207 R HA 0.313 4.652 4.340 -0.000 0.000 0.320 207 R C 0.152 176.451 176.300 -0.001 0.000 1.021 207 R CA -0.140 55.965 56.100 0.008 0.000 1.088 207 R CB 0.431 30.745 30.300 0.023 0.000 1.278 207 R HN 0.291 nan 8.270 nan 0.000 0.557 208 M N -1.989 117.597 119.600 -0.024 0.000 2.575 208 M HA 0.563 5.043 4.480 -0.000 0.000 0.284 208 M C -1.095 175.169 176.300 -0.061 0.000 1.253 208 M CA -1.251 54.024 55.300 -0.041 0.000 0.861 208 M CB 2.453 34.999 32.600 -0.090 0.000 1.733 208 M HN -0.354 nan 8.290 nan 0.000 0.462 209 V N 2.202 122.091 119.914 -0.041 0.000 2.588 209 V HA 0.546 4.666 4.120 -0.000 0.000 0.304 209 V C -1.256 174.813 176.094 -0.041 0.000 1.042 209 V CA -0.658 61.602 62.300 -0.066 0.000 0.877 209 V CB 2.042 33.793 31.823 -0.120 0.000 0.996 209 V HN 0.786 nan 8.190 nan 0.000 0.425 210 L N 4.660 125.825 121.223 -0.096 0.000 2.276 210 L HA 0.868 5.208 4.340 -0.000 0.000 0.286 210 L C 0.205 177.074 176.870 -0.003 0.000 1.024 210 L CA 0.070 54.863 54.840 -0.078 0.000 0.826 210 L CB 0.845 42.796 42.059 -0.179 0.000 1.211 210 L HN 0.813 nan 8.230 nan 0.000 0.422 211 A N 3.477 126.337 122.820 0.066 0.000 2.337 211 A HA 0.940 5.260 4.320 -0.000 0.000 0.329 211 A C -0.123 177.523 177.584 0.103 0.000 1.146 211 A CA 0.047 52.098 52.037 0.023 0.000 0.800 211 A CB 1.276 20.189 19.000 -0.146 0.000 1.220 211 A HN 0.839 nan 8.150 nan 0.000 0.472 212 G N -0.622 108.230 108.800 0.087 0.000 2.660 212 G HA2 0.854 4.813 3.960 -0.000 0.000 0.294 212 G HA3 0.854 4.813 3.960 -0.000 0.000 0.294 212 G C -0.898 174.058 174.900 0.092 0.000 1.369 212 G CA 0.042 45.207 45.100 0.108 0.000 0.912 212 G HN 1.882 nan 8.290 nan 0.000 0.479 213 A N -0.732 122.140 122.820 0.087 0.000 2.604 213 A HA 1.092 5.412 4.320 -0.000 0.000 0.295 213 A C 0.298 177.911 177.584 0.048 0.000 1.067 213 A CA 0.371 52.445 52.037 0.062 0.000 0.683 213 A CB 1.260 20.281 19.000 0.034 0.000 1.281 213 A HN 2.733 nan 8.150 nan 0.000 0.407 214 G N -0.341 108.462 108.800 0.004 0.000 2.408 214 G HA2 0.455 4.415 3.960 -0.000 0.000 0.204 214 G HA3 0.455 4.415 3.960 -0.000 0.000 0.204 214 G C 0.447 175.324 174.900 -0.038 0.000 1.186 214 G CA 0.188 45.265 45.100 -0.038 0.000 1.139 214 G HN 2.335 nan 8.290 nan 0.000 0.563 215 A N 0.098 122.931 122.820 0.023 0.000 2.990 215 A HA 0.604 4.924 4.320 -0.000 0.000 0.282 215 A C 0.060 177.764 177.584 0.200 0.000 1.688 215 A CA 0.498 52.615 52.037 0.133 0.000 1.391 215 A CB -0.569 18.492 19.000 0.103 0.000 1.112 215 A HN 1.684 nan 8.150 nan 0.000 0.588 216 V N 2.168 122.256 119.914 0.289 0.000 2.588 216 V HA 0.262 4.382 4.120 -0.000 0.000 0.304 216 V C -0.606 175.630 176.094 0.235 0.000 1.042 216 V CA -0.912 61.526 62.300 0.230 0.000 0.877 216 V CB 2.028 33.964 31.823 0.188 0.000 0.996 216 V HN 0.730 nan 8.190 nan 0.000 0.425 217 D N 2.266 122.765 120.400 0.164 0.000 2.313 217 D HA 0.156 4.796 4.640 -0.000 0.000 0.239 217 D C 0.881 177.267 176.300 0.143 0.000 1.142 217 D CA -0.059 54.010 54.000 0.115 0.000 0.847 217 D CB 1.260 42.112 40.800 0.087 0.000 1.082 217 D HN 0.706 nan 8.370 nan 0.000 0.480 218 H N 3.589 122.691 119.070 0.052 0.000 2.319 218 H HA -0.160 4.395 4.556 -0.000 0.000 0.299 218 H C 1.250 176.606 175.328 0.048 0.000 1.092 218 H CA 2.286 58.365 56.048 0.052 0.000 1.302 218 H CB 0.503 30.283 29.762 0.030 0.000 1.373 218 H HN 0.421 nan 8.280 nan 0.000 0.497 219 E N 0.513 120.713 120.200 0.000 0.000 2.023 219 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 219 E C 2.241 178.793 176.600 -0.079 0.000 1.003 219 E CA 1.561 57.921 56.400 -0.066 0.000 0.809 219 E CB -0.057 29.640 29.700 -0.004 0.000 0.755 219 E HN 0.471 nan 8.360 nan 0.000 0.449 220 K N -0.151 120.246 120.400 -0.006 0.000 2.063 220 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 220 K C 2.157 178.828 176.600 0.119 0.000 1.048 220 K CA 1.210 57.510 56.287 0.021 0.000 0.928 220 K CB -0.316 32.280 32.500 0.160 0.000 0.713 220 K HN 0.080 nan 8.250 nan 0.000 0.442 221 L N 0.954 122.267 121.223 0.149 0.000 2.131 221 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 221 L C 1.944 178.865 176.870 0.084 0.000 1.092 221 L CA 1.287 56.246 54.840 0.198 0.000 0.759 221 L CB -0.091 42.034 42.059 0.111 0.000 0.903 221 L HN -0.084 nan 8.230 nan 0.000 0.435 222 V N -0.510 119.348 119.914 -0.094 0.000 2.307 222 V HA -0.320 3.800 4.120 -0.000 0.000 0.245 222 V C 2.488 178.556 176.094 -0.044 0.000 1.045 222 V CA 2.022 64.254 62.300 -0.113 0.000 1.024 222 V CB -0.693 31.003 31.823 -0.211 0.000 0.651 222 V HN 0.552 nan 8.190 nan 0.000 0.449 223 Q N -0.969 118.771 119.800 -0.100 0.000 2.030 223 Q HA -0.244 4.096 4.340 -0.000 0.000 0.204 223 Q C 2.227 178.154 176.000 -0.122 0.000 0.986 223 Q CA 2.373 58.074 55.803 -0.170 0.000 0.843 223 Q CB -0.403 28.137 28.738 -0.328 0.000 0.904 223 Q HN 0.681 nan 8.270 nan 0.000 0.420 224 Y N 0.394 120.735 120.300 0.067 0.000 2.274 224 Y HA -0.214 4.336 4.550 -0.000 0.000 0.290 224 Y C 2.390 178.439 175.900 0.248 0.000 1.145 224 Y CA 0.914 59.115 58.100 0.170 0.000 1.203 224 Y CB -0.705 37.909 38.460 0.256 0.000 0.984 224 Y HN 0.171 nan 8.280 nan 0.000 0.533 225 A N -0.144 122.876 122.820 0.334 0.000 1.858 225 A HA -0.303 4.016 4.320 -0.000 0.000 0.216 225 A C 2.181 179.933 177.584 0.280 0.000 1.190 225 A CA 2.009 54.241 52.037 0.325 0.000 0.617 225 A CB -0.861 18.223 19.000 0.141 0.000 0.827 225 A HN 0.405 nan 8.150 nan 0.000 0.443 226 Q N 0.251 120.130 119.800 0.131 0.000 2.061 226 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 226 Q C 2.027 178.059 176.000 0.054 0.000 0.984 226 Q CA 2.605 58.451 55.803 0.073 0.000 0.846 226 Q CB -0.362 28.378 28.738 0.003 0.000 0.902 226 Q HN 0.675 nan 8.270 nan 0.000 0.421 227 K N -1.342 119.046 120.400 -0.020 0.000 1.991 227 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 227 K C 1.620 178.096 176.600 -0.206 0.000 1.049 227 K CA 1.774 57.944 56.287 -0.195 0.000 0.932 227 K CB -0.274 31.984 32.500 -0.403 0.000 0.717 227 K HN 0.322 nan 8.250 nan 0.000 0.441 228 Y N -1.649 118.736 120.300 0.143 0.000 2.510 228 Y HA 0.109 4.659 4.550 -0.000 0.000 0.273 228 Y C 1.101 176.970 175.900 -0.052 0.000 1.119 228 Y CA 0.280 58.399 58.100 0.032 0.000 1.286 228 Y CB 0.415 38.862 38.460 -0.022 0.000 1.061 228 Y HN 0.032 nan 8.280 nan 0.000 0.542 229 F N -1.953 118.142 119.950 0.242 0.000 2.728 229 F HA 0.315 4.842 4.527 -0.000 0.000 0.314 229 F C 2.166 177.946 175.800 -0.033 0.000 1.094 229 F CA 0.057 58.106 58.000 0.082 0.000 1.217 229 F CB -0.071 38.956 39.000 0.045 0.000 1.056 229 F HN -0.061 nan 8.300 nan 0.000 0.577 230 G N 0.567 109.484 108.800 0.195 0.000 2.442 230 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 230 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 230 G C 1.544 176.484 174.900 0.066 0.000 1.141 230 G CA 1.321 46.483 45.100 0.104 0.000 0.763 230 G HN 0.555 nan 8.290 nan 0.000 0.554 231 H N -0.155 118.940 119.070 0.042 0.000 2.567 231 H HA 0.116 4.672 4.556 -0.000 0.000 0.276 231 H C 0.183 175.541 175.328 0.049 0.000 1.016 231 H CA 0.300 56.365 56.048 0.027 0.000 1.186 231 H CB -0.879 28.884 29.762 0.003 0.000 1.351 231 H HN 0.116 nan 8.280 nan 0.000 0.605 232 V N 3.789 123.489 119.914 -0.357 0.000 2.488 232 V HA 0.126 4.245 4.120 -0.000 0.000 0.277 232 V C -1.797 174.267 176.094 -0.049 0.000 1.046 232 V CA -1.428 60.741 62.300 -0.219 0.000 0.986 232 V CB 1.162 32.903 31.823 -0.137 0.000 0.989 232 V HN 0.243 nan 8.190 nan 0.000 0.475 233 P HA 0.048 nan 4.420 nan 0.000 0.266 233 P C -0.441 176.866 177.300 0.013 0.000 1.193 233 P CA 0.091 63.199 63.100 0.012 0.000 0.770 233 P CB 0.495 32.209 31.700 0.022 0.000 0.836 234 K N 1.597 122.003 120.400 0.011 0.000 2.095 234 K HA 0.409 4.729 4.320 -0.000 0.000 0.252 234 K C -0.022 176.584 176.600 0.010 0.000 0.977 234 K CA -0.539 55.754 56.287 0.010 0.000 0.900 234 K CB 0.692 33.197 32.500 0.008 0.000 1.060 234 K HN 0.328 nan 8.250 nan 0.000 0.449 235 S N 0.852 116.557 115.700 0.009 0.000 2.624 235 S HA -0.000 4.470 4.470 -0.000 0.000 0.263 235 S C 0.801 175.404 174.600 0.005 0.000 1.287 235 S CA -0.502 57.702 58.200 0.006 0.000 0.990 235 S CB 0.983 64.186 63.200 0.006 0.000 0.950 235 S HN 0.732 nan 8.310 nan 0.000 0.561 236 E N -0.235 119.966 120.200 0.003 0.000 2.447 236 E HA 0.123 4.472 4.350 -0.000 0.000 0.195 236 E C -0.199 176.403 176.600 0.003 0.000 1.028 236 E CA 0.123 56.525 56.400 0.003 0.000 0.876 236 E CB 0.203 29.904 29.700 0.002 0.000 0.885 236 E HN 0.225 nan 8.360 nan 0.000 0.500 237 S N 2.270 117.972 115.700 0.003 0.000 2.128 237 S HA 0.289 4.759 4.470 -0.000 0.000 0.157 237 S C -2.515 172.089 174.600 0.005 0.000 1.650 237 S CA -0.984 57.218 58.200 0.004 0.000 1.269 237 S CB 0.981 64.184 63.200 0.004 0.000 1.227 237 S HN 0.090 nan 8.310 nan 0.000 0.405 238 P HA 0.138 nan 4.420 nan 0.000 0.264 238 P C -0.619 176.685 177.300 0.007 0.000 1.193 238 P CA -0.114 62.990 63.100 0.006 0.000 0.763 238 P CB 0.534 32.237 31.700 0.005 0.000 0.810 239 V N 1.680 121.599 119.914 0.007 0.000 2.656 239 V HA 0.615 4.735 4.120 -0.000 0.000 0.307 239 V C -2.626 173.473 176.094 0.008 0.000 1.051 239 V CA -2.978 59.328 62.300 0.009 0.000 0.893 239 V CB 1.507 33.337 31.823 0.012 0.000 0.999 239 V HN 0.295 nan 8.190 nan 0.000 0.426 240 P HA 0.277 nan 4.420 nan 0.000 0.268 240 P C 1.157 178.459 177.300 0.004 0.000 1.208 240 P CA -0.174 62.928 63.100 0.003 0.000 0.777 240 P CB 0.650 32.352 31.700 0.004 0.000 0.875 241 L N 1.241 122.462 121.223 -0.003 0.000 2.137 241 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 241 L C 2.118 178.990 176.870 0.003 0.000 1.085 241 L CA 2.073 56.910 54.840 -0.005 0.000 0.760 241 L CB -0.861 41.184 42.059 -0.023 0.000 0.893 241 L HN 0.608 nan 8.230 nan 0.000 0.434 242 G N -1.421 107.381 108.800 0.004 0.000 3.088 242 G HA2 0.020 3.980 3.960 -0.000 0.000 0.217 242 G HA3 0.020 3.980 3.960 -0.000 0.000 0.217 242 G C 0.526 175.444 174.900 0.030 0.000 1.159 242 G CA 0.282 45.392 45.100 0.016 0.000 0.760 242 G HN 0.386 nan 8.290 nan 0.000 0.550 243 S N 1.733 117.448 115.700 0.026 0.000 2.580 243 S HA 0.474 4.944 4.470 -0.000 0.000 0.274 243 S C -2.241 172.381 174.600 0.037 0.000 1.329 243 S CA -1.338 56.880 58.200 0.030 0.000 1.036 243 S CB 1.278 64.492 63.200 0.022 0.000 0.919 243 S HN 0.113 nan 8.310 nan 0.000 0.515 244 P HA 0.026 nan 4.420 nan 0.000 0.256 244 P C 0.446 177.768 177.300 0.038 0.000 1.173 244 P CA -0.012 63.115 63.100 0.044 0.000 0.768 244 P CB 0.465 32.189 31.700 0.041 0.000 0.758 245 R N 3.439 123.964 120.500 0.042 0.000 2.117 245 R HA -0.046 4.294 4.340 -0.000 0.000 0.243 245 R C 1.264 177.581 176.300 0.027 0.000 1.143 245 R CA 2.242 58.362 56.100 0.034 0.000 0.968 245 R CB -0.467 29.855 30.300 0.036 0.000 0.863 245 R HN 0.779 nan 8.270 nan 0.000 0.444 246 G N -2.279 106.539 108.800 0.031 0.000 2.600 246 G HA2 0.129 4.089 3.960 -0.000 0.000 0.103 246 G HA3 0.129 4.089 3.960 -0.000 0.000 0.103 246 G C -2.422 172.498 174.900 0.033 0.000 1.090 246 G CA -0.593 44.523 45.100 0.028 0.000 1.090 246 G HN 0.136 nan 8.290 nan 0.000 0.500 247 P HA 0.549 nan 4.420 nan 0.000 0.276 247 P C -0.353 176.975 177.300 0.048 0.000 1.243 247 P CA -0.499 62.624 63.100 0.039 0.000 0.768 247 P CB 0.663 32.384 31.700 0.035 0.000 0.856 248 L N 6.553 127.811 121.223 0.058 0.000 2.559 248 L HA 0.075 4.415 4.340 -0.000 0.000 0.282 248 L C -1.612 175.312 176.870 0.090 0.000 1.232 248 L CA -0.638 54.248 54.840 0.075 0.000 0.885 248 L CB -1.244 40.865 42.059 0.083 0.000 1.131 248 L HN 0.392 nan 8.230 nan 0.000 0.498 249 P HA 0.139 nan 4.420 nan 0.000 0.270 249 P C -1.104 176.318 177.300 0.203 0.000 1.227 249 P CA -0.253 62.930 63.100 0.138 0.000 0.788 249 P CB 0.671 32.435 31.700 0.107 0.000 0.926 250 V N 2.960 123.011 119.914 0.228 0.000 2.588 250 V HA 0.464 4.584 4.120 -0.000 0.000 0.304 250 V C -1.213 175.005 176.094 0.208 0.000 1.042 250 V CA -1.037 61.385 62.300 0.204 0.000 0.877 250 V CB 0.823 32.725 31.823 0.130 0.000 0.996 250 V HN 0.321 nan 8.190 nan 0.000 0.425 251 F N 7.368 127.342 119.950 0.040 0.000 2.471 251 F HA 0.505 5.032 4.527 -0.000 0.000 0.365 251 F C 0.306 176.068 175.800 -0.062 0.000 1.095 251 F CA -0.257 57.700 58.000 -0.073 0.000 1.174 251 F CB 0.072 39.029 39.000 -0.072 0.000 1.105 251 F HN 0.591 nan 8.300 nan 0.000 0.535 252 C N 7.373 126.496 119.300 -0.295 0.000 2.273 252 C HA 0.493 4.953 4.460 -0.000 0.000 0.328 252 C C 0.141 175.032 174.990 -0.164 0.000 1.275 252 C CA -1.073 57.870 59.018 -0.125 0.000 1.704 252 C CB 0.318 27.983 27.740 -0.124 0.000 2.326 252 C HN 0.882 nan 8.230 nan 0.000 0.517 253 R N 2.553 123.091 120.500 0.064 0.000 2.490 253 R HA 0.675 5.015 4.340 -0.000 0.000 0.280 253 R C 0.099 176.402 176.300 0.005 0.000 1.077 253 R CA 0.189 56.351 56.100 0.103 0.000 1.065 253 R CB 0.538 30.927 30.300 0.148 0.000 1.003 253 R HN 0.952 nan 8.270 nan 0.000 0.470 254 G N 1.215 110.009 108.800 -0.010 0.000 2.441 254 G HA2 0.329 4.289 3.960 -0.000 0.000 0.294 254 G HA3 0.329 4.289 3.960 -0.000 0.000 0.294 254 G C -1.918 172.944 174.900 -0.064 0.000 1.393 254 G CA -0.910 44.169 45.100 -0.034 0.000 0.796 254 G HN 0.786 nan 8.290 nan 0.000 0.494 255 E N -0.741 119.397 120.200 -0.103 0.000 2.366 255 E HA 0.698 5.048 4.350 -0.000 0.000 0.278 255 E C -1.195 175.237 176.600 -0.281 0.000 0.923 255 E CA -1.146 55.103 56.400 -0.251 0.000 0.761 255 E CB 2.938 32.441 29.700 -0.329 0.000 1.231 255 E HN 0.482 nan 8.360 nan 0.000 0.443 256 R N 2.870 123.138 120.500 -0.386 0.000 2.507 256 R HA 0.317 4.656 4.340 -0.000 0.000 0.298 256 R C -1.717 174.400 176.300 -0.305 0.000 1.087 256 R CA -0.624 55.344 56.100 -0.221 0.000 0.917 256 R CB 0.847 31.120 30.300 -0.045 0.000 1.173 256 R HN 0.461 nan 8.270 nan 0.000 0.472 257 F N 5.403 125.359 119.950 0.011 0.000 2.391 257 F HA 0.419 4.946 4.527 -0.000 0.000 0.359 257 F C 0.534 176.322 175.800 -0.020 0.000 1.122 257 F CA -0.532 57.462 58.000 -0.009 0.000 1.120 257 F CB 1.135 40.130 39.000 -0.008 0.000 1.142 257 F HN 0.282 nan 8.300 nan 0.000 0.483 258 I N 4.245 124.881 120.570 0.110 0.000 2.388 258 I HA 0.195 4.365 4.170 -0.000 0.000 0.281 258 I C 0.065 176.197 176.117 0.026 0.000 1.046 258 I CA -0.691 60.627 61.300 0.029 0.000 1.187 258 I CB 0.796 38.744 38.000 -0.086 0.000 1.351 258 I HN 0.480 nan 8.210 nan 0.000 0.472 259 K N 4.779 125.202 120.400 0.038 0.000 2.416 259 K HA 0.118 4.438 4.320 -0.000 0.000 0.283 259 K C -0.156 176.436 176.600 -0.012 0.000 1.037 259 K CA 0.290 56.583 56.287 0.010 0.000 0.995 259 K CB 0.559 33.062 32.500 0.006 0.000 0.938 259 K HN 0.400 nan 8.250 nan 0.000 0.475 260 E N 3.924 124.107 120.200 -0.028 0.000 2.829 260 E HA 0.128 4.478 4.350 -0.000 0.000 0.350 260 E C -0.830 175.744 176.600 -0.044 0.000 1.119 260 E CA -0.268 56.108 56.400 -0.041 0.000 0.764 260 E CB -0.056 29.602 29.700 -0.072 0.000 1.576 260 E HN 0.565 nan 8.360 nan 0.000 0.379 261 N N 1.164 119.845 118.700 -0.031 0.000 2.571 261 N HA -0.082 4.658 4.740 -0.000 0.000 0.189 261 N C 1.155 176.649 175.510 -0.028 0.000 1.154 261 N CA 1.175 54.207 53.050 -0.030 0.000 0.907 261 N CB 0.339 38.811 38.487 -0.025 0.000 0.977 261 N HN 0.605 nan 8.380 nan 0.000 0.449 262 T N -2.223 112.314 114.554 -0.028 0.000 3.054 262 T HA 0.140 4.490 4.350 -0.000 0.000 0.259 262 T C 0.934 175.620 174.700 -0.023 0.000 1.092 262 T CA -0.110 61.979 62.100 -0.019 0.000 1.121 262 T CB 0.052 68.915 68.868 -0.008 0.000 0.912 262 T HN -0.010 nan 8.240 nan 0.000 0.489 263 L N 2.398 123.590 121.223 -0.052 0.000 2.410 263 L HA 0.252 4.592 4.340 -0.000 0.000 0.273 263 L C -1.342 175.506 176.870 -0.037 0.000 1.152 263 L CA -1.762 53.035 54.840 -0.072 0.000 0.855 263 L CB 0.916 42.871 42.059 -0.174 0.000 1.129 263 L HN 0.058 nan 8.230 nan 0.000 0.463 264 P HA -0.027 nan 4.420 nan 0.000 0.222 264 P C 0.178 177.472 177.300 -0.011 0.000 1.153 264 P CA 0.678 63.779 63.100 0.001 0.000 0.798 264 P CB 0.176 31.894 31.700 0.029 0.000 0.796 265 T N -4.047 110.505 114.554 -0.002 0.000 2.887 265 T HA 0.586 4.936 4.350 -0.000 0.000 0.288 265 T C -0.411 174.230 174.700 -0.099 0.000 1.021 265 T CA -0.593 61.469 62.100 -0.062 0.000 1.000 265 T CB 1.488 70.316 68.868 -0.067 0.000 1.034 265 T HN -0.314 nan 8.240 nan 0.000 0.467 266 T N 2.495 116.940 114.554 -0.183 0.000 2.823 266 T HA 0.465 4.815 4.350 -0.000 0.000 0.279 266 T C -0.779 173.748 174.700 -0.288 0.000 0.998 266 T CA -0.665 61.368 62.100 -0.110 0.000 0.994 266 T CB 0.520 69.354 68.868 -0.057 0.000 0.960 266 T HN 0.658 nan 8.240 nan 0.000 0.448 267 H N 2.531 121.560 119.070 -0.069 0.000 2.547 267 H HA 0.525 5.081 4.556 -0.000 0.000 0.342 267 H C -0.918 174.384 175.328 -0.044 0.000 1.048 267 H CA -0.626 55.385 56.048 -0.062 0.000 1.204 267 H CB 1.594 31.393 29.762 0.063 0.000 1.493 267 H HN 0.329 nan 8.280 nan 0.000 0.511 268 I N 2.021 122.587 120.570 -0.006 0.000 2.545 268 I HA 0.478 4.648 4.170 -0.000 0.000 0.292 268 I C -0.289 175.890 176.117 0.104 0.000 1.040 268 I CA -0.531 60.788 61.300 0.032 0.000 1.068 268 I CB 2.115 40.121 38.000 0.009 0.000 1.251 268 I HN 0.615 nan 8.210 nan 0.000 0.424 269 A N 6.921 129.815 122.820 0.124 0.000 2.343 269 A HA 0.916 5.236 4.320 -0.000 0.000 0.308 269 A C -0.870 176.873 177.584 0.265 0.000 1.092 269 A CA -0.410 51.771 52.037 0.240 0.000 0.751 269 A CB 0.814 19.809 19.000 -0.008 0.000 1.203 269 A HN 0.650 nan 8.150 nan 0.000 0.452 270 I N 2.017 122.823 120.570 0.394 0.000 2.418 270 I HA 0.630 4.800 4.170 -0.000 0.000 0.287 270 I C 0.257 176.651 176.117 0.462 0.000 1.008 270 I CA -0.280 61.231 61.300 0.351 0.000 1.104 270 I CB 1.975 40.152 38.000 0.295 0.000 1.264 270 I HN 0.772 nan 8.210 nan 0.000 0.438 271 A N 6.703 129.779 122.820 0.427 0.000 2.469 271 A HA 0.977 5.297 4.320 -0.000 0.000 0.299 271 A C -1.418 176.400 177.584 0.391 0.000 1.098 271 A CA -0.452 51.845 52.037 0.434 0.000 0.737 271 A CB 1.743 21.080 19.000 0.562 0.000 1.312 271 A HN 0.537 nan 8.150 nan 0.000 0.414 272 L N -0.106 121.252 121.223 0.225 0.000 2.327 272 L HA 0.518 4.857 4.340 -0.000 0.000 0.258 272 L C 0.165 176.842 176.870 -0.321 0.000 1.024 272 L CA -0.555 54.169 54.840 -0.195 0.000 0.825 272 L CB 1.854 43.743 42.059 -0.283 0.000 1.386 272 L HN 0.895 nan 8.230 nan 0.000 0.417 273 E N 0.109 119.688 120.200 -1.035 0.000 2.558 273 E HA 0.307 4.657 4.350 -0.000 0.000 0.255 273 E C 0.209 176.708 176.600 -0.169 0.000 0.968 273 E CA 0.531 56.638 56.400 -0.488 0.000 0.939 273 E CB 0.613 29.978 29.700 -0.559 0.000 0.921 273 E HN 0.659 nan 8.360 nan 0.000 0.477 274 G N 3.032 111.886 108.800 0.089 0.000 2.773 274 G HA2 0.387 4.347 3.960 -0.000 0.000 0.186 274 G HA3 0.387 4.347 3.960 -0.000 0.000 0.186 274 G C -0.816 174.177 174.900 0.155 0.000 1.411 274 G CA -0.433 44.767 45.100 0.167 0.000 1.054 274 G HN 0.529 nan 8.290 nan 0.000 0.579 275 V N -0.080 119.942 119.914 0.180 0.000 2.715 275 V HA 0.621 4.741 4.120 -0.000 0.000 0.310 275 V C 0.365 176.510 176.094 0.085 0.000 1.054 275 V CA -0.280 62.119 62.300 0.166 0.000 0.928 275 V CB 1.971 33.914 31.823 0.200 0.000 1.007 275 V HN 1.076 nan 8.190 nan 0.000 0.437 276 S N 3.244 118.993 115.700 0.082 0.000 2.707 276 S HA 0.309 4.779 4.470 -0.000 0.000 0.276 276 S C 0.548 175.125 174.600 -0.038 0.000 1.179 276 S CA -0.346 57.843 58.200 -0.018 0.000 0.992 276 S CB 0.729 63.974 63.200 0.076 0.000 1.030 276 S HN 0.740 nan 8.310 nan 0.000 0.554 277 W N 0.828 122.085 121.300 -0.071 0.000 2.325 277 W HA -0.109 4.551 4.660 -0.000 0.000 0.299 277 W C 2.651 178.919 176.519 -0.419 0.000 1.215 277 W CA 1.167 58.289 57.345 -0.371 0.000 1.244 277 W CB -0.371 28.945 29.460 -0.240 0.000 1.140 277 W HN 0.866 nan 8.180 nan 0.000 0.523 278 S N -0.715 115.023 115.700 0.062 0.000 2.556 278 S HA 0.465 4.935 4.470 -0.000 0.000 0.216 278 S C 0.932 175.562 174.600 0.049 0.000 0.970 278 S CA -0.088 58.129 58.200 0.029 0.000 0.912 278 S CB -0.521 62.717 63.200 0.063 0.000 0.790 278 S HN 0.121 nan 8.310 nan 0.000 0.504 279 A N 3.216 126.081 122.820 0.075 0.000 2.565 279 A HA 0.352 4.672 4.320 -0.000 0.000 0.237 279 A C -0.937 176.720 177.584 0.123 0.000 1.053 279 A CA -0.865 51.238 52.037 0.111 0.000 0.755 279 A CB -0.148 18.943 19.000 0.151 0.000 0.980 279 A HN 0.300 nan 8.150 nan 0.000 0.506 280 P HA -0.115 nan 4.420 nan 0.000 0.220 280 P C 0.446 177.836 177.300 0.151 0.000 1.148 280 P CA 1.510 64.683 63.100 0.123 0.000 0.803 280 P CB 0.066 31.815 31.700 0.082 0.000 0.782 281 D N -2.335 118.152 120.400 0.144 0.000 2.325 281 D HA -0.094 4.546 4.640 -0.000 0.000 0.225 281 D C 1.558 177.877 176.300 0.031 0.000 1.096 281 D CA -0.475 53.602 54.000 0.128 0.000 0.844 281 D CB -1.126 39.822 40.800 0.248 0.000 0.925 281 D HN 0.150 nan 8.370 nan 0.000 0.513 282 Y N 1.445 121.687 120.300 -0.097 0.000 2.040 282 Y HA -0.304 4.246 4.550 -0.000 0.000 0.275 282 Y C 1.454 177.134 175.900 -0.366 0.000 1.171 282 Y CA 1.911 59.844 58.100 -0.279 0.000 1.123 282 Y CB -0.585 37.598 38.460 -0.461 0.000 0.963 282 Y HN -0.099 nan 8.280 nan 0.000 0.493 283 F N -1.045 118.830 119.950 -0.126 0.000 2.234 283 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 283 F C 2.421 178.035 175.800 -0.309 0.000 1.087 283 F CA 1.322 59.182 58.000 -0.233 0.000 1.340 283 F CB -1.099 37.879 39.000 -0.038 0.000 1.031 283 F HN -0.090 nan 8.300 nan 0.000 0.500 284 V N -0.108 119.714 119.914 -0.153 0.000 2.515 284 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 284 V C 2.545 178.203 176.094 -0.726 0.000 1.058 284 V CA 1.606 63.713 62.300 -0.322 0.000 1.064 284 V CB -1.236 30.438 31.823 -0.249 0.000 0.675 284 V HN 0.361 nan 8.190 nan 0.000 0.461 285 A N -0.237 122.010 122.820 -0.955 0.000 1.898 285 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 285 A C 2.200 179.445 177.584 -0.564 0.000 1.181 285 A CA 1.555 52.817 52.037 -1.291 0.000 0.620 285 A CB -0.423 18.117 19.000 -0.767 0.000 0.819 285 A HN 0.486 nan 8.150 nan 0.000 0.442 286 L N -0.925 120.034 121.223 -0.440 0.000 2.056 286 L HA -0.160 4.179 4.340 -0.000 0.000 0.207 286 L C 3.128 179.909 176.870 -0.148 0.000 1.078 286 L CA 1.007 55.696 54.840 -0.252 0.000 0.749 286 L CB -0.713 41.173 42.059 -0.288 0.000 0.901 286 L HN 0.454 nan 8.230 nan 0.000 0.433 287 A N 0.028 122.743 122.820 -0.175 0.000 1.908 287 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 287 A C 2.346 179.883 177.584 -0.077 0.000 1.181 287 A CA 2.504 54.476 52.037 -0.109 0.000 0.627 287 A CB -0.937 17.993 19.000 -0.117 0.000 0.818 287 A HN 0.405 nan 8.150 nan 0.000 0.445 288 T N -0.554 113.912 114.554 -0.146 0.000 2.821 288 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 288 T C 2.047 176.869 174.700 0.203 0.000 1.046 288 T CA 1.380 63.477 62.100 -0.006 0.000 1.139 288 T CB -0.241 68.515 68.868 -0.186 0.000 0.871 288 T HN 0.619 nan 8.240 nan 0.000 0.454 289 Q N 0.852 120.774 119.800 0.203 0.000 2.061 289 Q HA -0.143 4.196 4.340 -0.000 0.000 0.204 289 Q C 2.535 178.561 176.000 0.044 0.000 0.984 289 Q CA 1.689 57.530 55.803 0.063 0.000 0.846 289 Q CB -0.327 28.353 28.738 -0.096 0.000 0.902 289 Q HN 0.548 nan 8.270 nan 0.000 0.421 290 A N 0.523 123.362 122.820 0.033 0.000 2.019 290 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 290 A C 1.959 179.585 177.584 0.070 0.000 1.164 290 A CA 1.025 53.087 52.037 0.041 0.000 0.644 290 A CB -0.521 18.490 19.000 0.018 0.000 0.805 290 A HN 0.488 nan 8.150 nan 0.000 0.449 291 I N -0.704 119.916 120.570 0.083 0.000 2.353 291 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 291 I C 2.209 178.404 176.117 0.130 0.000 1.119 291 I CA 0.929 62.286 61.300 0.096 0.000 1.417 291 I CB 0.017 38.073 38.000 0.094 0.000 1.078 291 I HN 0.177 nan 8.210 nan 0.000 0.421 292 V N 0.405 120.421 119.914 0.170 0.000 2.407 292 V HA 0.069 4.189 4.120 -0.000 0.000 0.245 292 V C 1.462 177.668 176.094 0.187 0.000 1.041 292 V CA 1.052 63.462 62.300 0.183 0.000 1.040 292 V CB -1.409 30.563 31.823 0.248 0.000 0.671 292 V HN 0.671 nan 8.190 nan 0.000 0.455 293 G N 0.980 109.881 108.800 0.169 0.000 2.601 293 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.261 293 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.261 293 G C -0.340 174.754 174.900 0.323 0.000 1.289 293 G CA 0.177 45.394 45.100 0.196 0.000 0.920 293 G HN 0.481 nan 8.290 nan 0.000 0.571 294 N N -1.130 117.730 118.700 0.267 0.000 2.453 294 N HA 0.688 5.428 4.740 -0.000 0.000 0.290 294 N C -1.249 174.257 175.510 -0.006 0.000 1.250 294 N CA -0.057 53.116 53.050 0.205 0.000 0.815 294 N CB 2.320 40.875 38.487 0.113 0.000 1.381 294 N HN 0.907 nan 8.380 nan 0.000 0.510 295 W N 0.667 121.587 121.300 -0.633 0.000 3.479 295 W HA 0.308 4.967 4.660 -0.000 0.000 0.304 295 W C -2.160 174.076 176.519 -0.472 0.000 1.243 295 W CA -0.454 56.500 57.345 -0.652 0.000 1.202 295 W CB 1.177 29.977 29.460 -1.099 0.000 1.346 295 W HN 0.296 nan 8.180 nan 0.000 0.539 296 D N 4.986 124.565 120.400 -1.368 0.000 2.757 296 D HA 0.208 4.848 4.640 -0.000 0.000 0.249 296 D C 0.920 176.231 176.300 -1.648 0.000 1.168 296 D CA -0.445 52.798 54.000 -1.262 0.000 0.870 296 D CB 2.109 42.559 40.800 -0.583 0.000 1.411 296 D HN 0.734 nan 8.370 nan 0.000 0.525 297 R N 2.758 122.299 120.500 -1.598 0.000 2.153 297 R HA -0.254 4.086 4.340 -0.000 0.000 0.252 297 R C 1.511 177.593 176.300 -0.363 0.000 1.158 297 R CA 2.462 58.067 56.100 -0.826 0.000 0.975 297 R CB 0.069 30.165 30.300 -0.341 0.000 0.871 297 R HN 0.473 nan 8.270 nan 0.000 0.450 298 A N -0.100 122.518 122.820 -0.336 0.000 1.901 298 A HA 0.073 4.393 4.320 -0.000 0.000 0.210 298 A C 1.887 179.370 177.584 -0.168 0.000 1.208 298 A CA 0.400 52.328 52.037 -0.182 0.000 0.644 298 A CB 0.116 19.033 19.000 -0.138 0.000 0.863 298 A HN 0.219 nan 8.150 nan 0.000 0.454 299 I N -0.832 119.600 120.570 -0.231 0.000 2.876 299 I HA 0.159 4.329 4.170 -0.000 0.000 0.264 299 I C 1.635 177.664 176.117 -0.148 0.000 1.204 299 I CA 1.401 62.601 61.300 -0.167 0.000 1.485 299 I CB -1.682 36.222 38.000 -0.160 0.000 1.103 299 I HN 0.505 nan 8.210 nan 0.000 0.446 300 G N 1.552 110.207 108.800 -0.242 0.000 2.481 300 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.230 300 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.230 300 G C 0.672 175.551 174.900 -0.035 0.000 1.210 300 G CA 0.486 45.549 45.100 -0.062 0.000 0.936 300 G HN 0.261 nan 8.290 nan 0.000 0.583 301 T N -2.302 112.309 114.554 0.095 0.000 3.001 301 T HA 0.487 4.837 4.350 -0.000 0.000 0.251 301 T C 2.392 177.120 174.700 0.048 0.000 1.040 301 T CA 1.669 63.831 62.100 0.102 0.000 0.985 301 T CB 0.581 69.545 68.868 0.160 0.000 1.011 301 T HN 2.826 nan 8.240 nan 0.000 0.509 302 G N 0.785 109.601 108.800 0.027 0.000 2.136 302 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.242 302 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.242 302 G C 0.082 175.001 174.900 0.032 0.000 0.989 302 G CA 0.265 45.376 45.100 0.019 0.000 0.682 302 G HN 0.784 nan 8.290 nan 0.000 0.522 303 T N -0.331 114.250 114.554 0.045 0.000 2.893 303 T HA 0.441 4.791 4.350 -0.000 0.000 0.291 303 T C 1.111 175.837 174.700 0.044 0.000 1.028 303 T CA -0.022 62.107 62.100 0.047 0.000 0.995 303 T CB 1.637 70.541 68.868 0.061 0.000 1.051 303 T HN 0.155 nan 8.240 nan 0.000 0.470 304 N N 1.308 120.030 118.700 0.036 0.000 2.188 304 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 304 N C -0.048 175.484 175.510 0.037 0.000 1.018 304 N CA 0.712 53.781 53.050 0.033 0.000 0.858 304 N CB 0.270 38.773 38.487 0.026 0.000 0.989 304 N HN 0.366 nan 8.380 nan 0.000 0.426 305 S N 1.663 117.387 115.700 0.040 0.000 2.640 305 S HA 0.460 4.930 4.470 -0.000 0.000 0.320 305 S C -2.559 172.071 174.600 0.051 0.000 1.097 305 S CA -0.983 57.241 58.200 0.040 0.000 1.092 305 S CB 2.170 65.389 63.200 0.032 0.000 0.988 305 S HN 0.162 nan 8.310 nan 0.000 0.470 306 P HA 0.240 nan 4.420 nan 0.000 0.275 306 P C -0.072 177.257 177.300 0.048 0.000 1.228 306 P CA -0.468 62.671 63.100 0.066 0.000 0.786 306 P CB 0.546 32.286 31.700 0.067 0.000 0.927 307 S N 2.343 118.078 115.700 0.058 0.000 2.624 307 S HA 0.253 4.723 4.470 -0.000 0.000 0.263 307 S C -1.711 172.891 174.600 0.003 0.000 1.287 307 S CA -0.834 57.391 58.200 0.041 0.000 0.990 307 S CB -0.003 63.236 63.200 0.064 0.000 0.950 307 S HN 0.216 nan 8.310 nan 0.000 0.561 308 P HA -0.036 nan 4.420 nan 0.000 0.220 308 P C 1.570 178.825 177.300 -0.075 0.000 1.148 308 P CA 0.365 63.443 63.100 -0.037 0.000 0.803 308 P CB -0.029 31.655 31.700 -0.027 0.000 0.782 309 L N -0.103 121.073 121.223 -0.078 0.000 2.027 309 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 309 L C 2.189 178.963 176.870 -0.160 0.000 1.074 309 L CA 2.114 56.871 54.840 -0.139 0.000 0.745 309 L CB -1.590 40.360 42.059 -0.181 0.000 0.898 309 L HN -0.117 nan 8.230 nan 0.000 0.433 310 A N -0.872 121.893 122.820 -0.092 0.000 1.902 310 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 310 A C 2.282 179.620 177.584 -0.410 0.000 1.181 310 A CA 2.078 53.934 52.037 -0.302 0.000 0.623 310 A CB -1.201 17.764 19.000 -0.058 0.000 0.818 310 A HN 0.330 nan 8.150 nan 0.000 0.443 311 V N -0.141 119.659 119.914 -0.189 0.000 2.287 311 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 311 V C 3.087 179.070 176.094 -0.186 0.000 1.053 311 V CA 2.093 64.309 62.300 -0.139 0.000 1.027 311 V CB -1.262 30.519 31.823 -0.070 0.000 0.646 311 V HN 0.634 nan 8.190 nan 0.000 0.447 312 A N -0.100 122.606 122.820 -0.190 0.000 1.908 312 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 312 A C 2.446 179.873 177.584 -0.262 0.000 1.181 312 A CA 2.259 54.187 52.037 -0.182 0.000 0.627 312 A CB -0.907 17.997 19.000 -0.160 0.000 0.818 312 A HN 0.605 nan 8.150 nan 0.000 0.445 313 A N 0.269 122.824 122.820 -0.441 0.000 1.917 313 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 313 A C 2.500 179.720 177.584 -0.606 0.000 1.182 313 A CA 2.629 54.255 52.037 -0.686 0.000 0.633 313 A CB -0.990 17.216 19.000 -1.323 0.000 0.819 313 A HN 1.137 nan 8.150 nan 0.000 0.448 314 S N -0.880 114.516 115.700 -0.506 0.000 2.522 314 S HA 0.039 4.509 4.470 -0.000 0.000 0.227 314 S C 0.926 175.528 174.600 0.003 0.000 0.986 314 S CA 0.085 58.259 58.200 -0.044 0.000 0.929 314 S CB -0.273 62.994 63.200 0.112 0.000 0.769 314 S HN 0.665 nan 8.310 nan 0.000 0.529 315 Q N 2.170 121.932 119.800 -0.062 0.000 2.396 315 Q HA 0.197 4.537 4.340 -0.000 0.000 0.221 315 Q C -0.177 175.822 176.000 -0.001 0.000 1.025 315 Q CA -0.272 55.517 55.803 -0.023 0.000 0.946 315 Q CB 0.167 28.879 28.738 -0.042 0.000 1.224 315 Q HN 0.669 nan 8.270 nan 0.000 0.539 316 N N 0.169 118.874 118.700 0.008 0.000 2.725 316 N HA -0.305 4.435 4.740 -0.000 0.000 0.280 316 N C 0.473 176.005 175.510 0.037 0.000 1.017 316 N CA 0.907 53.967 53.050 0.017 0.000 0.813 316 N CB -1.527 36.964 38.487 0.006 0.000 0.931 316 N HN 1.026 nan 8.380 nan 0.000 0.570 317 G N -0.802 108.030 108.800 0.053 0.000 2.268 317 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.240 317 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.240 317 G C 0.044 175.028 174.900 0.140 0.000 1.010 317 G CA 1.109 46.255 45.100 0.077 0.000 0.618 317 G HN 2.480 nan 8.290 nan 0.000 0.516 318 S N -2.333 113.451 115.700 0.139 0.000 2.922 318 S HA -0.026 4.444 4.470 -0.000 0.000 0.854 318 S C 0.303 174.986 174.600 0.138 0.000 0.921 318 S CA 0.435 58.746 58.200 0.185 0.000 1.418 318 S CB -1.085 62.316 63.200 0.335 0.000 1.015 318 S HN 1.316 nan 8.310 nan 0.000 0.230 319 L N 1.395 122.572 121.223 -0.076 0.000 2.616 319 L HA 0.673 5.013 4.340 -0.000 0.000 0.229 319 L C 1.158 177.627 176.870 -0.668 0.000 1.110 319 L CA 0.776 55.486 54.840 -0.218 0.000 0.884 319 L CB -0.114 41.838 42.059 -0.179 0.000 1.115 319 L HN 1.148 nan 8.230 nan 0.000 0.481 320 A N -1.037 121.331 122.820 -0.754 0.000 2.483 320 A HA 0.395 4.715 4.320 -0.000 0.000 0.294 320 A C -0.511 177.030 177.584 -0.073 0.000 1.077 320 A CA -0.542 51.062 52.037 -0.722 0.000 0.633 320 A CB 0.492 19.397 19.000 -0.158 0.000 1.318 320 A HN -0.097 nan 8.150 nan 0.000 0.455 321 N N 0.001 118.714 118.700 0.021 0.000 2.409 321 N HA 0.185 4.925 4.740 -0.000 0.000 0.174 321 N C 0.285 175.672 175.510 -0.204 0.000 1.037 321 N CA 1.412 54.456 53.050 -0.010 0.000 0.898 321 N CB 0.302 38.779 38.487 -0.016 0.000 1.010 321 N HN 1.177 nan 8.380 nan 0.000 0.445 322 S N -1.205 114.454 115.700 -0.068 0.000 2.633 322 S HA 0.482 4.952 4.470 -0.000 0.000 0.271 322 S C -1.910 172.747 174.600 0.096 0.000 1.112 322 S CA -1.070 57.055 58.200 -0.126 0.000 0.828 322 S CB 0.798 63.865 63.200 -0.222 0.000 1.086 322 S HN 0.191 nan 8.310 nan 0.000 0.461 323 Y N -0.534 119.869 120.300 0.172 0.000 2.544 323 Y HA 0.855 5.405 4.550 -0.000 0.000 0.342 323 Y C -1.023 174.979 175.900 0.169 0.000 1.062 323 Y CA -1.517 56.654 58.100 0.118 0.000 1.023 323 Y CB 1.495 40.022 38.460 0.110 0.000 1.308 323 Y HN 1.040 nan 8.280 nan 0.000 0.457 324 M N 3.249 123.147 119.600 0.497 0.000 2.224 324 M HA 0.557 5.037 4.480 -0.000 0.000 0.281 324 M C -1.607 174.949 176.300 0.427 0.000 1.025 324 M CA -0.365 55.201 55.300 0.444 0.000 0.954 324 M CB 1.938 34.803 32.600 0.440 0.000 1.639 324 M HN 0.840 nan 8.290 nan 0.000 0.461 325 S N 4.653 120.515 115.700 0.270 0.000 2.545 325 S HA 0.656 5.126 4.470 -0.000 0.000 0.275 325 S C -0.865 173.758 174.600 0.039 0.000 1.299 325 S CA -0.342 57.876 58.200 0.030 0.000 1.048 325 S CB 0.323 63.479 63.200 -0.073 0.000 0.938 325 S HN 0.506 nan 8.310 nan 0.000 0.496 326 F N -0.190 119.647 119.950 -0.188 0.000 2.599 326 F HA 0.835 5.362 4.527 -0.000 0.000 0.311 326 F C -0.447 175.149 175.800 -0.341 0.000 1.076 326 F CA -1.020 56.865 58.000 -0.192 0.000 0.937 326 F CB 1.545 40.493 39.000 -0.088 0.000 1.282 326 F HN 0.396 nan 8.300 nan 0.000 0.460 327 S N 1.295 116.985 115.700 -0.016 0.000 2.750 327 S HA 0.628 5.098 4.470 -0.000 0.000 0.276 327 S C -1.444 173.166 174.600 0.017 0.000 1.165 327 S CA -0.286 57.896 58.200 -0.030 0.000 1.047 327 S CB 1.044 64.206 63.200 -0.064 0.000 1.056 327 S HN 0.866 nan 8.310 nan 0.000 0.481 328 T N 3.752 118.331 114.554 0.042 0.000 2.797 328 T HA 0.624 4.974 4.350 -0.000 0.000 0.279 328 T C -0.516 173.934 174.700 -0.416 0.000 0.991 328 T CA -0.500 61.490 62.100 -0.185 0.000 0.979 328 T CB 1.605 70.389 68.868 -0.140 0.000 0.943 328 T HN 0.465 nan 8.240 nan 0.000 0.444 329 S N 1.548 116.766 115.700 -0.804 0.000 2.536 329 S HA 0.762 5.232 4.470 -0.000 0.000 0.298 329 S C -1.432 172.268 174.600 -1.499 0.000 1.083 329 S CA -0.650 56.870 58.200 -1.134 0.000 0.995 329 S CB 0.772 63.144 63.200 -1.380 0.000 1.058 329 S HN 0.561 nan 8.310 nan 0.000 0.488 330 Y N -0.161 119.802 120.300 -0.561 0.000 2.633 330 Y HA 0.587 5.137 4.550 -0.000 0.000 0.339 330 Y C 1.094 176.995 175.900 0.001 0.000 1.045 330 Y CA -1.061 56.961 58.100 -0.129 0.000 1.098 330 Y CB 0.742 39.215 38.460 0.021 0.000 1.296 330 Y HN 0.687 nan 8.280 nan 0.000 0.494 331 A N 0.210 123.354 122.820 0.541 0.000 1.940 331 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 331 A C 0.971 178.700 177.584 0.242 0.000 1.176 331 A CA 2.346 54.647 52.037 0.440 0.000 0.631 331 A CB -0.648 18.542 19.000 0.317 0.000 0.814 331 A HN 0.784 nan 8.150 nan 0.000 0.446 332 D N -2.616 117.907 120.400 0.205 0.000 2.513 332 D HA 0.377 5.017 4.640 -0.000 0.000 0.222 332 D C 0.214 176.614 176.300 0.168 0.000 1.210 332 D CA 0.568 54.658 54.000 0.151 0.000 0.825 332 D CB 0.028 40.895 40.800 0.112 0.000 1.037 332 D HN 0.186 nan 8.370 nan 0.000 0.506 333 S N -1.743 114.085 115.700 0.213 0.000 2.655 333 S HA 0.729 5.199 4.470 -0.000 0.000 0.266 333 S C -1.436 173.328 174.600 0.274 0.000 1.149 333 S CA -0.228 58.137 58.200 0.275 0.000 0.818 333 S CB 1.198 64.614 63.200 0.359 0.000 1.130 333 S HN 0.509 nan 8.310 nan 0.000 0.476 334 G N 0.508 109.502 108.800 0.322 0.000 2.632 334 G HA2 0.585 4.545 3.960 -0.000 0.000 0.292 334 G HA3 0.585 4.545 3.960 -0.000 0.000 0.292 334 G C -2.367 172.716 174.900 0.306 0.000 1.465 334 G CA -0.614 44.608 45.100 0.203 0.000 0.824 334 G HN 0.738 nan 8.290 nan 0.000 0.509 335 L N 0.006 121.393 121.223 0.274 0.000 2.386 335 L HA 0.712 5.051 4.340 -0.000 0.000 0.271 335 L C -1.276 175.821 176.870 0.379 0.000 0.993 335 L CA -0.671 54.393 54.840 0.373 0.000 0.819 335 L CB 2.684 44.978 42.059 0.391 0.000 1.294 335 L HN 0.677 nan 8.230 nan 0.000 0.414 336 W N 3.205 124.539 121.300 0.057 0.000 2.839 336 W HA 0.700 5.360 4.660 -0.000 0.000 0.334 336 W C -0.179 176.067 176.519 -0.456 0.000 1.064 336 W CA -0.024 57.201 57.345 -0.199 0.000 1.236 336 W CB 2.030 31.459 29.460 -0.053 0.000 1.405 336 W HN 0.612 nan 8.180 nan 0.000 0.478 337 G N 3.325 111.305 108.800 -1.366 0.000 2.450 337 G HA2 0.452 4.412 3.960 -0.000 0.000 0.273 337 G HA3 0.452 4.412 3.960 -0.000 0.000 0.273 337 G C -2.075 172.268 174.900 -0.929 0.000 1.221 337 G CA -0.994 43.539 45.100 -0.945 0.000 0.900 337 G HN 0.490 nan 8.290 nan 0.000 0.483 338 M N 0.141 119.717 119.600 -0.040 0.000 2.393 338 M HA 0.737 5.217 4.480 -0.000 0.000 0.299 338 M C -2.060 174.624 176.300 0.639 0.000 1.103 338 M CA -1.061 54.399 55.300 0.267 0.000 0.910 338 M CB 1.966 34.634 32.600 0.113 0.000 1.659 338 M HN 0.645 nan 8.290 nan 0.000 0.445 339 Y N 5.718 126.335 120.300 0.530 0.000 2.328 339 Y HA 0.781 5.331 4.550 -0.000 0.000 0.337 339 Y C -1.606 174.448 175.900 0.257 0.000 0.966 339 Y CA -1.255 57.076 58.100 0.384 0.000 1.136 339 Y CB 0.784 39.507 38.460 0.438 0.000 1.170 339 Y HN 0.690 nan 8.280 nan 0.000 0.470 340 I N 6.583 126.965 120.570 -0.315 0.000 2.474 340 I HA 0.517 4.687 4.170 -0.000 0.000 0.294 340 I C -1.103 174.699 176.117 -0.525 0.000 1.005 340 I CA -1.210 59.907 61.300 -0.305 0.000 1.113 340 I CB 2.003 39.936 38.000 -0.112 0.000 1.289 340 I HN 0.283 nan 8.210 nan 0.000 0.436 341 V N 4.079 123.752 119.914 -0.403 0.000 2.407 341 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 341 V C 0.148 176.108 176.094 -0.225 0.000 1.018 341 V CA -0.408 61.638 62.300 -0.424 0.000 0.842 341 V CB 1.683 33.286 31.823 -0.367 0.000 0.996 341 V HN 0.933 nan 8.190 nan 0.000 0.426 342 T N -0.035 114.404 114.554 -0.192 0.000 2.927 342 T HA 0.488 4.838 4.350 -0.000 0.000 0.286 342 T C -0.671 174.075 174.700 0.075 0.000 1.040 342 T CA -0.746 61.364 62.100 0.016 0.000 1.010 342 T CB 2.132 71.025 68.868 0.040 0.000 1.177 342 T HN 0.531 nan 8.240 nan 0.000 0.546 343 D N 0.320 120.898 120.400 0.297 0.000 2.295 343 D HA 0.220 4.860 4.640 -0.000 0.000 0.248 343 D C 0.965 177.250 176.300 -0.024 0.000 1.154 343 D CA -0.243 53.768 54.000 0.019 0.000 0.857 343 D CB 1.444 42.129 40.800 -0.191 0.000 1.117 343 D HN 0.524 nan 8.370 nan 0.000 0.468 344 S N 3.534 119.210 115.700 -0.040 0.000 2.402 344 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 344 S C 1.373 175.943 174.600 -0.050 0.000 1.030 344 S CA 0.934 59.110 58.200 -0.040 0.000 1.003 344 S CB 0.066 63.242 63.200 -0.041 0.000 0.813 344 S HN 0.589 nan 8.310 nan 0.000 0.477 345 N N 0.146 118.803 118.700 -0.071 0.000 2.432 345 N HA 0.089 4.829 4.740 -0.000 0.000 0.174 345 N C 1.491 176.938 175.510 -0.104 0.000 1.037 345 N CA 0.524 53.529 53.050 -0.075 0.000 0.892 345 N CB -0.055 38.392 38.487 -0.067 0.000 1.049 345 N HN 0.218 nan 8.380 nan 0.000 0.442 346 E N 0.118 120.207 120.200 -0.185 0.000 2.276 346 E HA 0.119 4.469 4.350 -0.000 0.000 0.193 346 E C -0.260 176.185 176.600 -0.258 0.000 0.983 346 E CA 0.504 56.743 56.400 -0.268 0.000 0.861 346 E CB 0.170 29.624 29.700 -0.409 0.000 0.817 346 E HN 0.453 nan 8.360 nan 0.000 0.485 347 H N -0.412 118.644 119.070 -0.025 0.000 2.463 347 H HA 0.333 4.889 4.556 -0.000 0.000 0.332 347 H C -0.362 174.943 175.328 -0.038 0.000 1.127 347 H CA -0.894 55.138 56.048 -0.026 0.000 1.238 347 H CB 0.931 30.680 29.762 -0.021 0.000 1.478 347 H HN -0.136 nan 8.280 nan 0.000 0.499 348 N N 3.094 121.858 118.700 0.107 0.000 2.558 348 N HA 0.004 4.744 4.740 -0.000 0.000 0.233 348 N C 0.680 176.187 175.510 -0.005 0.000 1.038 348 N CA -0.099 52.964 53.050 0.021 0.000 0.934 348 N CB 0.565 39.052 38.487 -0.000 0.000 1.175 348 N HN 0.430 nan 8.380 nan 0.000 0.512 349 V N 4.151 124.054 119.914 -0.018 0.000 2.313 349 V HA -0.305 3.815 4.120 -0.000 0.000 0.253 349 V C 2.557 178.604 176.094 -0.079 0.000 1.070 349 V CA 1.876 64.148 62.300 -0.047 0.000 1.057 349 V CB -0.577 31.221 31.823 -0.041 0.000 0.653 349 V HN 0.699 nan 8.190 nan 0.000 0.450 350 R N -0.467 119.971 120.500 -0.103 0.000 2.133 350 R HA -0.193 4.147 4.340 -0.000 0.000 0.247 350 R C 2.245 178.494 176.300 -0.086 0.000 1.151 350 R CA 1.763 57.775 56.100 -0.147 0.000 0.971 350 R CB -0.303 29.885 30.300 -0.187 0.000 0.866 350 R HN 0.507 nan 8.270 nan 0.000 0.447 351 L N -0.110 121.074 121.223 -0.064 0.000 2.056 351 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 351 L C 2.467 179.286 176.870 -0.085 0.000 1.078 351 L CA 0.765 55.572 54.840 -0.055 0.000 0.749 351 L CB -0.430 41.604 42.059 -0.041 0.000 0.901 351 L HN 0.247 nan 8.230 nan 0.000 0.433 352 I N -0.669 119.838 120.570 -0.105 0.000 2.439 352 I HA -0.149 4.021 4.170 -0.000 0.000 0.251 352 I C 2.183 178.203 176.117 -0.161 0.000 1.139 352 I CA 1.182 62.398 61.300 -0.140 0.000 1.438 352 I CB -0.025 37.893 38.000 -0.137 0.000 1.085 352 I HN -0.132 nan 8.210 nan 0.000 0.427 353 V N 1.192 121.029 119.914 -0.128 0.000 2.343 353 V HA -0.298 3.821 4.120 -0.000 0.000 0.247 353 V C 2.212 178.231 176.094 -0.125 0.000 1.051 353 V CA 2.366 64.586 62.300 -0.133 0.000 1.036 353 V CB -1.104 30.675 31.823 -0.073 0.000 0.654 353 V HN 0.509 nan 8.190 nan 0.000 0.451 354 N N -0.224 118.441 118.700 -0.058 0.000 2.061 354 N HA -0.216 4.524 4.740 -0.000 0.000 0.193 354 N C 1.809 177.252 175.510 -0.112 0.000 1.030 354 N CA 1.410 54.442 53.050 -0.029 0.000 0.856 354 N CB -0.124 38.365 38.487 0.004 0.000 1.023 354 N HN 0.460 nan 8.380 nan 0.000 0.424 355 E N 0.951 121.059 120.200 -0.153 0.000 2.110 355 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 355 E C 2.063 178.485 176.600 -0.296 0.000 0.988 355 E CA 0.663 56.945 56.400 -0.196 0.000 0.804 355 E CB -0.166 29.410 29.700 -0.206 0.000 0.745 355 E HN 0.511 nan 8.360 nan 0.000 0.458 356 I N 0.726 121.054 120.570 -0.403 0.000 2.252 356 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 356 I C 2.415 178.082 176.117 -0.751 0.000 1.102 356 I CA 0.774 61.671 61.300 -0.671 0.000 1.385 356 I CB -0.264 37.273 38.000 -0.772 0.000 1.064 356 I HN 0.039 nan 8.210 nan 0.000 0.414 357 L N 0.652 121.591 121.223 -0.474 0.000 2.083 357 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 357 L C 2.627 179.445 176.870 -0.087 0.000 1.083 357 L CA 1.389 56.092 54.840 -0.229 0.000 0.752 357 L CB -0.662 41.355 42.059 -0.070 0.000 0.899 357 L HN 0.248 nan 8.230 nan 0.000 0.433 358 K N 0.575 120.907 120.400 -0.114 0.000 2.103 358 K HA -0.266 4.054 4.320 -0.000 0.000 0.207 358 K C 2.056 178.636 176.600 -0.032 0.000 1.048 358 K CA 1.785 58.037 56.287 -0.058 0.000 0.930 358 K CB 0.088 32.543 32.500 -0.074 0.000 0.716 358 K HN 0.113 nan 8.250 nan 0.000 0.444 359 E N -0.196 119.948 120.200 -0.093 0.000 2.106 359 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 359 E C 1.518 178.217 176.600 0.164 0.000 0.984 359 E CA 1.318 57.704 56.400 -0.023 0.000 0.806 359 E CB -0.188 29.436 29.700 -0.126 0.000 0.750 359 E HN 0.366 nan 8.360 nan 0.000 0.458 360 W N 1.130 122.442 121.300 0.020 0.000 2.381 360 W HA 0.019 4.679 4.660 -0.000 0.000 0.301 360 W C 1.948 178.481 176.519 0.024 0.000 1.205 360 W CA 0.987 58.366 57.345 0.057 0.000 1.285 360 W CB -0.660 28.846 29.460 0.077 0.000 1.133 360 W HN 0.168 nan 8.180 nan 0.000 0.521 361 K N -0.046 120.491 120.400 0.227 0.000 2.148 361 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 361 K C 2.086 178.736 176.600 0.083 0.000 1.050 361 K CA 1.204 57.561 56.287 0.117 0.000 0.942 361 K CB -0.285 32.258 32.500 0.071 0.000 0.724 361 K HN -0.003 nan 8.250 nan 0.000 0.446 362 R N 1.420 121.970 120.500 0.084 0.000 2.081 362 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 362 R C 2.068 178.411 176.300 0.072 0.000 1.131 362 R CA 1.378 57.515 56.100 0.061 0.000 0.960 362 R CB -0.203 30.128 30.300 0.052 0.000 0.856 362 R HN 0.128 nan 8.270 nan 0.000 0.436 363 I N 0.787 121.422 120.570 0.108 0.000 2.202 363 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 363 I C 2.308 178.466 176.117 0.067 0.000 1.091 363 I CA 1.409 62.769 61.300 0.100 0.000 1.368 363 I CB -0.356 37.730 38.000 0.143 0.000 1.058 363 I HN 0.181 nan 8.210 nan 0.000 0.410 364 K N 0.793 121.230 120.400 0.062 0.000 2.160 364 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 364 K C 2.103 178.714 176.600 0.019 0.000 1.047 364 K CA 1.893 58.195 56.287 0.024 0.000 0.930 364 K CB -0.228 32.277 32.500 0.009 0.000 0.720 364 K HN 0.405 nan 8.250 nan 0.000 0.450 365 S N -0.814 114.902 115.700 0.027 0.000 2.603 365 S HA 0.067 4.537 4.470 -0.000 0.000 0.220 365 S C 1.362 175.973 174.600 0.019 0.000 0.967 365 S CA 0.591 58.802 58.200 0.018 0.000 0.920 365 S CB 0.235 63.446 63.200 0.018 0.000 0.773 365 S HN 0.461 nan 8.310 nan 0.000 0.529 366 G N 0.969 109.784 108.800 0.026 0.000 2.184 366 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.264 366 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.264 366 G C 0.225 175.139 174.900 0.024 0.000 0.975 366 G CA 0.330 45.444 45.100 0.024 0.000 0.642 366 G HN 0.519 nan 8.290 nan 0.000 0.536 367 K N 1.184 121.599 120.400 0.026 0.000 2.686 367 K HA 0.467 4.787 4.320 -0.000 0.000 0.244 367 K C 0.757 177.374 176.600 0.028 0.000 1.262 367 K CA 0.302 56.602 56.287 0.023 0.000 1.199 367 K CB -0.738 31.774 32.500 0.020 0.000 1.428 367 K HN 0.744 nan 8.250 nan 0.000 0.247 368 I N -2.549 118.038 120.570 0.028 0.000 2.647 368 I HA 0.489 4.659 4.170 -0.000 0.000 0.295 368 I C 0.044 176.175 176.117 0.024 0.000 1.078 368 I CA -1.154 60.165 61.300 0.031 0.000 1.048 368 I CB 2.243 40.268 38.000 0.041 0.000 1.239 368 I HN 0.042 nan 8.210 nan 0.000 0.421 369 S N 2.092 117.806 115.700 0.023 0.000 2.614 369 S HA 0.234 4.704 4.470 -0.000 0.000 0.265 369 S C 0.373 174.983 174.600 0.016 0.000 1.303 369 S CA -0.292 57.919 58.200 0.018 0.000 1.000 369 S CB 1.383 64.593 63.200 0.017 0.000 0.935 369 S HN 0.707 nan 8.310 nan 0.000 0.551 370 D N 1.367 121.774 120.400 0.012 0.000 2.117 370 D HA -0.005 4.635 4.640 -0.000 0.000 0.197 370 D C 2.228 178.533 176.300 0.009 0.000 0.987 370 D CA 1.740 55.745 54.000 0.008 0.000 0.829 370 D CB -0.901 39.903 40.800 0.007 0.000 0.961 370 D HN 0.692 nan 8.370 nan 0.000 0.460 371 A N 1.513 124.340 122.820 0.012 0.000 1.883 371 A HA -0.247 4.072 4.320 -0.000 0.000 0.217 371 A C 2.045 179.638 177.584 0.016 0.000 1.186 371 A CA 2.108 54.153 52.037 0.013 0.000 0.624 371 A CB -0.744 18.264 19.000 0.015 0.000 0.822 371 A HN 0.474 nan 8.150 nan 0.000 0.444 372 E N -0.406 119.807 120.200 0.020 0.000 2.274 372 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 372 E C 1.652 178.265 176.600 0.021 0.000 0.996 372 E CA 1.183 57.599 56.400 0.026 0.000 0.840 372 E CB -0.410 29.311 29.700 0.035 0.000 0.772 372 E HN 0.316 nan 8.360 nan 0.000 0.491 373 V N 2.035 121.958 119.914 0.014 0.000 2.323 373 V HA -0.248 3.872 4.120 -0.000 0.000 0.244 373 V C 1.904 177.994 176.094 -0.006 0.000 1.041 373 V CA 2.215 64.517 62.300 0.004 0.000 1.025 373 V CB -0.782 31.041 31.823 0.001 0.000 0.656 373 V HN 0.331 nan 8.190 nan 0.000 0.451 374 N N -0.476 118.221 118.700 -0.005 0.000 2.223 374 N HA -0.189 4.551 4.740 -0.000 0.000 0.185 374 N C 2.100 177.605 175.510 -0.008 0.000 1.016 374 N CA 0.933 53.976 53.050 -0.012 0.000 0.863 374 N CB -0.123 38.361 38.487 -0.004 0.000 0.983 374 N HN 0.307 nan 8.380 nan 0.000 0.429 375 R N 1.032 121.534 120.500 0.004 0.000 2.062 375 R HA -0.040 4.300 4.340 -0.000 0.000 0.231 375 R C 2.169 178.473 176.300 0.007 0.000 1.136 375 R CA 1.320 57.426 56.100 0.010 0.000 0.948 375 R CB -0.298 30.015 30.300 0.021 0.000 0.845 375 R HN 0.180 nan 8.270 nan 0.000 0.430 376 A N 1.650 124.474 122.820 0.008 0.000 1.908 376 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 376 A C 2.031 179.605 177.584 -0.017 0.000 1.181 376 A CA 1.666 53.705 52.037 0.005 0.000 0.627 376 A CB -0.344 18.661 19.000 0.008 0.000 0.818 376 A HN 0.330 nan 8.150 nan 0.000 0.445 377 K N -0.391 119.988 120.400 -0.035 0.000 2.097 377 K HA -0.033 4.287 4.320 -0.000 0.000 0.205 377 K C 2.296 178.852 176.600 -0.073 0.000 1.050 377 K CA 1.069 57.314 56.287 -0.070 0.000 0.938 377 K CB -0.328 32.114 32.500 -0.097 0.000 0.718 377 K HN 0.447 nan 8.250 nan 0.000 0.442 378 A N 1.631 124.425 122.820 -0.044 0.000 1.898 378 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 378 A C 2.186 179.767 177.584 -0.005 0.000 1.181 378 A CA 1.287 53.310 52.037 -0.024 0.000 0.620 378 A CB -0.451 18.549 19.000 -0.001 0.000 0.819 378 A HN 0.326 nan 8.150 nan 0.000 0.442 379 Q N -0.909 118.892 119.800 0.001 0.000 2.050 379 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 379 Q C 2.038 178.046 176.000 0.014 0.000 0.980 379 Q CA 1.727 57.538 55.803 0.014 0.000 0.840 379 Q CB -0.227 28.523 28.738 0.020 0.000 0.898 379 Q HN 0.526 nan 8.270 nan 0.000 0.424 380 L N 1.279 122.504 121.223 0.002 0.000 2.046 380 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 380 L C 2.020 178.899 176.870 0.014 0.000 1.077 380 L CA 1.882 56.729 54.840 0.011 0.000 0.747 380 L CB -0.376 41.682 42.059 -0.002 0.000 0.896 380 L HN 0.074 nan 8.230 nan 0.000 0.432 381 K N -0.705 119.679 120.400 -0.027 0.000 2.063 381 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 381 K C 2.063 178.691 176.600 0.046 0.000 1.048 381 K CA 1.436 57.708 56.287 -0.025 0.000 0.928 381 K CB -0.377 32.072 32.500 -0.085 0.000 0.713 381 K HN 0.496 nan 8.250 nan 0.000 0.442 382 A N 1.349 124.195 122.820 0.043 0.000 1.873 382 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 382 A C 2.369 179.984 177.584 0.052 0.000 1.186 382 A CA 1.696 53.764 52.037 0.053 0.000 0.616 382 A CB -0.706 18.319 19.000 0.042 0.000 0.823 382 A HN 0.325 nan 8.150 nan 0.000 0.442 383 A N -0.349 122.500 122.820 0.049 0.000 1.940 383 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 383 A C 2.134 179.761 177.584 0.072 0.000 1.176 383 A CA 1.616 53.685 52.037 0.054 0.000 0.631 383 A CB -0.540 18.491 19.000 0.051 0.000 0.814 383 A HN 0.475 nan 8.150 nan 0.000 0.446 384 L N -1.591 119.685 121.223 0.089 0.000 2.209 384 L HA 0.046 4.386 4.340 -0.000 0.000 0.207 384 L C 2.181 179.111 176.870 0.100 0.000 1.094 384 L CA 0.570 55.481 54.840 0.119 0.000 0.790 384 L CB -0.170 41.988 42.059 0.165 0.000 0.932 384 L HN 0.330 nan 8.230 nan 0.000 0.447 385 L N -1.581 119.695 121.223 0.088 0.000 2.526 385 L HA 0.070 4.410 4.340 -0.000 0.000 0.210 385 L C 2.030 178.936 176.870 0.061 0.000 1.048 385 L CA 0.123 55.013 54.840 0.083 0.000 0.852 385 L CB -0.045 42.085 42.059 0.119 0.000 1.128 385 L HN 0.078 nan 8.230 nan 0.000 0.482 386 L N 0.183 121.441 121.223 0.057 0.000 2.465 386 L HA -0.057 4.283 4.340 -0.000 0.000 0.224 386 L C 2.445 179.334 176.870 0.030 0.000 1.145 386 L CA 0.946 55.810 54.840 0.040 0.000 0.834 386 L CB -0.423 41.660 42.059 0.040 0.000 0.944 386 L HN 0.348 nan 8.230 nan 0.000 0.451 387 S N -0.611 115.110 115.700 0.035 0.000 2.496 387 S HA 0.050 4.520 4.470 -0.000 0.000 0.224 387 S C 1.068 175.681 174.600 0.021 0.000 0.996 387 S CA -0.051 58.165 58.200 0.027 0.000 0.927 387 S CB -0.317 62.902 63.200 0.032 0.000 0.774 387 S HN 0.311 nan 8.310 nan 0.000 0.524 388 L N 2.602 123.840 121.223 0.025 0.000 2.376 388 L HA 0.281 4.621 4.340 -0.000 0.000 0.250 388 L C 1.043 177.917 176.870 0.007 0.000 1.335 388 L CA -0.258 54.591 54.840 0.016 0.000 1.214 388 L CB -0.114 41.957 42.059 0.020 0.000 1.395 388 L HN 0.161 nan 8.230 nan 0.000 0.424 389 D N 0.882 121.284 120.400 0.003 0.000 2.652 389 D HA 0.074 4.714 4.640 -0.000 0.000 0.261 389 D C 1.098 177.394 176.300 -0.007 0.000 1.024 389 D CA 0.612 54.611 54.000 -0.002 0.000 0.958 389 D CB 0.490 41.290 40.800 -0.001 0.000 1.113 389 D HN 0.339 nan 8.370 nan 0.000 0.471 390 G N -0.343 108.454 108.800 -0.004 0.000 2.547 390 G HA2 0.321 4.281 3.960 -0.000 0.000 0.291 390 G HA3 0.321 4.281 3.960 -0.000 0.000 0.291 390 G C 1.098 175.998 174.900 -0.000 0.000 1.211 390 G CA 0.475 45.573 45.100 -0.003 0.000 0.950 390 G HN 0.189 nan 8.290 nan 0.000 0.504 391 S N -0.925 114.779 115.700 0.007 0.000 2.399 391 S HA -0.149 4.321 4.470 -0.000 0.000 0.231 391 S C 2.112 176.728 174.600 0.027 0.000 1.022 391 S CA 2.033 60.243 58.200 0.016 0.000 0.983 391 S CB -0.636 62.582 63.200 0.029 0.000 0.803 391 S HN 0.479 nan 8.310 nan 0.000 0.480 392 T N 2.756 117.327 114.554 0.028 0.000 2.708 392 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 392 T C 2.237 176.924 174.700 -0.021 0.000 1.037 392 T CA 1.544 63.650 62.100 0.010 0.000 1.146 392 T CB -0.876 68.004 68.868 0.020 0.000 0.865 392 T HN 0.646 nan 8.240 nan 0.000 0.435 393 A N 0.859 123.670 122.820 -0.014 0.000 1.933 393 A HA 0.010 4.330 4.320 -0.000 0.000 0.218 393 A C 2.286 179.866 177.584 -0.006 0.000 1.175 393 A CA 1.128 53.157 52.037 -0.014 0.000 0.628 393 A CB -0.729 18.267 19.000 -0.007 0.000 0.814 393 A HN 0.534 nan 8.150 nan 0.000 0.444 394 I N -0.814 119.754 120.570 -0.003 0.000 2.252 394 I HA -0.184 3.986 4.170 -0.000 0.000 0.245 394 I C 2.347 178.456 176.117 -0.014 0.000 1.102 394 I CA 0.899 62.194 61.300 -0.008 0.000 1.385 394 I CB -0.308 37.688 38.000 -0.007 0.000 1.064 394 I HN 0.144 nan 8.210 nan 0.000 0.414 395 V N 1.089 121.010 119.914 0.012 0.000 2.343 395 V HA -0.300 3.820 4.120 -0.000 0.000 0.247 395 V C 2.583 178.705 176.094 0.047 0.000 1.051 395 V CA 2.285 64.608 62.300 0.038 0.000 1.036 395 V CB -0.586 31.307 31.823 0.117 0.000 0.654 395 V HN 0.486 nan 8.190 nan 0.000 0.451 396 E N 0.945 121.195 120.200 0.084 0.000 2.070 396 E HA -0.305 4.045 4.350 -0.000 0.000 0.197 396 E C 1.776 178.376 176.600 0.001 0.000 1.004 396 E CA 2.326 58.806 56.400 0.134 0.000 0.805 396 E CB -0.537 29.188 29.700 0.042 0.000 0.744 396 E HN 0.674 nan 8.360 nan 0.000 0.451 397 D N -0.870 119.500 120.400 -0.050 0.000 2.149 397 D HA -0.053 4.587 4.640 -0.000 0.000 0.201 397 D C 1.963 178.158 176.300 -0.174 0.000 0.972 397 D CA 1.345 55.289 54.000 -0.092 0.000 0.835 397 D CB -0.101 40.673 40.800 -0.043 0.000 0.966 397 D HN 0.362 nan 8.370 nan 0.000 0.476 398 I N 0.189 120.645 120.570 -0.189 0.000 2.113 398 I HA -0.097 4.073 4.170 -0.000 0.000 0.238 398 I C 2.545 178.398 176.117 -0.440 0.000 1.070 398 I CA 1.299 62.454 61.300 -0.242 0.000 1.332 398 I CB -0.719 37.169 38.000 -0.187 0.000 1.044 398 I HN 0.130 nan 8.210 nan 0.000 0.402 399 G N 0.581 108.912 108.800 -0.782 0.000 2.514 399 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 399 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 399 G C 1.806 176.145 174.900 -0.934 0.000 1.198 399 G CA 0.714 44.847 45.100 -1.611 0.000 0.780 399 G HN 0.217 nan 8.290 nan 0.000 0.565 400 R N 0.181 120.363 120.500 -0.531 0.000 2.091 400 R HA -0.077 4.263 4.340 -0.000 0.000 0.238 400 R C 2.686 178.736 176.300 -0.417 0.000 1.136 400 R CA 1.775 57.700 56.100 -0.291 0.000 0.959 400 R CB -0.439 29.729 30.300 -0.220 0.000 0.856 400 R HN 0.486 nan 8.270 nan 0.000 0.437 401 Q N -0.339 119.223 119.800 -0.395 0.000 2.050 401 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 401 Q C 2.196 178.032 176.000 -0.273 0.000 0.980 401 Q CA 1.723 57.313 55.803 -0.355 0.000 0.840 401 Q CB 0.061 28.654 28.738 -0.243 0.000 0.898 401 Q HN 0.204 nan 8.270 nan 0.000 0.424 402 V N 0.031 119.791 119.914 -0.257 0.000 2.307 402 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 402 V C 2.162 178.158 176.094 -0.162 0.000 1.045 402 V CA 1.373 63.559 62.300 -0.190 0.000 1.024 402 V CB -0.355 31.352 31.823 -0.193 0.000 0.651 402 V HN 0.223 nan 8.190 nan 0.000 0.449 403 V N 0.908 120.710 119.914 -0.187 0.000 2.594 403 V HA -0.192 3.928 4.120 -0.000 0.000 0.253 403 V C 2.407 178.459 176.094 -0.070 0.000 1.069 403 V CA 2.628 64.870 62.300 -0.097 0.000 1.082 403 V CB -0.224 31.579 31.823 -0.034 0.000 0.680 403 V HN 0.854 nan 8.190 nan 0.000 0.469 404 T N -6.311 108.160 114.554 -0.140 0.000 3.023 404 T HA 0.081 4.431 4.350 -0.000 0.000 0.253 404 T C 1.367 176.027 174.700 -0.067 0.000 1.038 404 T CA 0.912 62.953 62.100 -0.099 0.000 0.962 404 T CB 0.615 69.324 68.868 -0.265 0.000 1.018 404 T HN 0.343 nan 8.240 nan 0.000 0.521 405 T N -0.416 114.075 114.554 -0.106 0.000 2.992 405 T HA 0.478 4.828 4.350 -0.000 0.000 0.255 405 T C 1.437 176.110 174.700 -0.044 0.000 0.938 405 T CA 0.602 62.665 62.100 -0.061 0.000 0.895 405 T CB 0.138 68.945 68.868 -0.102 0.000 1.221 405 T HN 0.637 nan 8.240 nan 0.000 0.512 406 G N 2.655 111.417 108.800 -0.062 0.000 2.176 406 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 406 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 406 G C 0.009 174.879 174.900 -0.051 0.000 0.979 406 G CA 0.707 45.779 45.100 -0.046 0.000 0.641 406 G HN 0.750 nan 8.290 nan 0.000 0.530 407 K N -1.812 118.549 120.400 -0.066 0.000 2.578 407 K HA 0.771 5.091 4.320 -0.000 0.000 0.287 407 K C -1.192 175.361 176.600 -0.078 0.000 1.010 407 K CA -1.348 54.904 56.287 -0.059 0.000 0.889 407 K CB 1.387 33.868 32.500 -0.032 0.000 1.514 407 K HN 0.054 nan 8.250 nan 0.000 0.424 408 R N 2.015 122.476 120.500 -0.065 0.000 2.409 408 R HA 0.375 4.715 4.340 -0.000 0.000 0.313 408 R C -0.988 175.296 176.300 -0.026 0.000 0.953 408 R CA -0.663 55.397 56.100 -0.066 0.000 0.849 408 R CB 0.813 31.065 30.300 -0.080 0.000 1.171 408 R HN 0.707 nan 8.270 nan 0.000 0.458 409 L N 3.230 124.454 121.223 0.002 0.000 2.367 409 L HA 0.149 4.489 4.340 -0.000 0.000 0.275 409 L C 1.148 178.034 176.870 0.027 0.000 1.129 409 L CA -0.050 54.812 54.840 0.036 0.000 0.839 409 L CB 1.075 43.194 42.059 0.100 0.000 1.133 409 L HN 0.667 nan 8.230 nan 0.000 0.453 410 S N 2.931 118.641 115.700 0.017 0.000 2.600 410 S HA 0.235 4.705 4.470 -0.000 0.000 0.265 410 S C -1.836 172.780 174.600 0.026 0.000 1.325 410 S CA -1.080 57.127 58.200 0.011 0.000 1.002 410 S CB 0.999 64.200 63.200 0.002 0.000 0.921 410 S HN 0.401 nan 8.310 nan 0.000 0.554 411 P HA -0.108 nan 4.420 nan 0.000 0.215 411 P C 1.122 178.458 177.300 0.059 0.000 1.157 411 P CA 1.404 64.530 63.100 0.042 0.000 0.874 411 P CB -0.027 31.687 31.700 0.023 0.000 0.790 412 E N -0.361 119.854 120.200 0.025 0.000 2.110 412 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 412 E C 1.942 178.580 176.600 0.063 0.000 0.988 412 E CA 1.207 57.621 56.400 0.023 0.000 0.804 412 E CB -0.771 28.916 29.700 -0.022 0.000 0.745 412 E HN 0.429 nan 8.360 nan 0.000 0.458 413 E N 0.005 120.224 120.200 0.033 0.000 2.047 413 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 413 E C 2.109 178.694 176.600 -0.026 0.000 0.987 413 E CA 1.184 57.595 56.400 0.018 0.000 0.799 413 E CB -0.028 29.683 29.700 0.020 0.000 0.752 413 E HN 0.068 nan 8.360 nan 0.000 0.449 414 V N 1.226 121.124 119.914 -0.026 0.000 2.343 414 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 414 V C 2.015 177.989 176.094 -0.200 0.000 1.051 414 V CA 1.748 63.946 62.300 -0.169 0.000 1.036 414 V CB -0.529 31.286 31.823 -0.014 0.000 0.654 414 V HN 0.239 nan 8.190 nan 0.000 0.451 415 F N 1.520 121.377 119.950 -0.154 0.000 2.091 415 F HA -0.258 4.269 4.527 -0.000 0.000 0.299 415 F C 2.458 178.167 175.800 -0.151 0.000 1.103 415 F CA 2.399 60.322 58.000 -0.128 0.000 1.228 415 F CB -0.212 38.744 39.000 -0.074 0.000 0.984 415 F HN 0.174 nan 8.300 nan 0.000 0.477 416 E N 0.200 120.466 120.200 0.110 0.000 2.085 416 E HA -0.225 4.124 4.350 -0.000 0.000 0.194 416 E C 2.117 178.627 176.600 -0.150 0.000 0.994 416 E CA 1.533 57.947 56.400 0.022 0.000 0.801 416 E CB -0.430 29.303 29.700 0.055 0.000 0.743 416 E HN 0.397 nan 8.360 nan 0.000 0.453 417 Q N -0.332 119.310 119.800 -0.263 0.000 2.170 417 Q HA -0.081 4.259 4.340 -0.000 0.000 0.203 417 Q C 2.272 178.037 176.000 -0.391 0.000 0.976 417 Q CA 1.253 56.840 55.803 -0.359 0.000 0.858 417 Q CB -0.242 28.067 28.738 -0.715 0.000 0.907 417 Q HN 0.288 nan 8.270 nan 0.000 0.433 418 V N 0.454 120.080 119.914 -0.479 0.000 2.379 418 V HA -0.160 3.960 4.120 -0.000 0.000 0.243 418 V C 1.901 177.810 176.094 -0.308 0.000 1.035 418 V CA 1.572 63.656 62.300 -0.360 0.000 1.035 418 V CB -0.520 31.080 31.823 -0.372 0.000 0.673 418 V HN 0.238 nan 8.190 nan 0.000 0.457 419 D N 1.054 121.200 120.400 -0.423 0.000 2.190 419 D HA -0.246 4.394 4.640 -0.000 0.000 0.200 419 D C 2.090 178.291 176.300 -0.164 0.000 0.992 419 D CA 1.525 55.318 54.000 -0.345 0.000 0.854 419 D CB -0.071 40.511 40.800 -0.362 0.000 0.936 419 D HN 0.622 nan 8.370 nan 0.000 0.462 420 K N -0.110 120.214 120.400 -0.127 0.000 2.459 420 K HA 0.033 4.353 4.320 -0.000 0.000 0.193 420 K C 0.587 177.154 176.600 -0.054 0.000 1.030 420 K CA -0.048 56.199 56.287 -0.067 0.000 1.026 420 K CB 0.002 32.476 32.500 -0.043 0.000 0.809 420 K HN 0.168 nan 8.250 nan 0.000 0.504 421 I N 3.416 123.943 120.570 -0.071 0.000 2.752 421 I HA -0.065 4.105 4.170 -0.000 0.000 0.287 421 I C 0.592 176.686 176.117 -0.038 0.000 1.188 421 I CA 0.175 61.446 61.300 -0.048 0.000 1.427 421 I CB 0.801 38.766 38.000 -0.059 0.000 1.365 421 I HN 0.283 nan 8.210 nan 0.000 0.585 422 T N 1.842 116.383 114.554 -0.022 0.000 2.930 422 T HA 0.274 4.624 4.350 -0.000 0.000 0.290 422 T C 0.678 175.374 174.700 -0.007 0.000 1.052 422 T CA -0.996 61.096 62.100 -0.013 0.000 1.017 422 T CB 2.119 70.984 68.868 -0.006 0.000 1.137 422 T HN 0.653 nan 8.240 nan 0.000 0.511 423 K N 0.306 120.704 120.400 -0.002 0.000 2.103 423 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 423 K C 1.406 178.013 176.600 0.013 0.000 1.048 423 K CA 2.172 58.463 56.287 0.006 0.000 0.930 423 K CB -0.430 32.075 32.500 0.008 0.000 0.716 423 K HN 0.726 nan 8.250 nan 0.000 0.444 424 D N 0.731 121.137 120.400 0.011 0.000 2.097 424 D HA -0.151 4.489 4.640 -0.000 0.000 0.195 424 D C 1.519 177.833 176.300 0.024 0.000 0.989 424 D CA 1.353 55.361 54.000 0.015 0.000 0.827 424 D CB -0.006 40.799 40.800 0.009 0.000 0.966 424 D HN 0.211 nan 8.370 nan 0.000 0.456 425 D N -0.047 120.365 120.400 0.020 0.000 2.116 425 D HA -0.173 4.466 4.640 -0.000 0.000 0.193 425 D C 2.274 178.612 176.300 0.062 0.000 0.998 425 D CA 0.785 54.805 54.000 0.034 0.000 0.836 425 D CB -0.293 40.516 40.800 0.014 0.000 0.951 425 D HN 0.354 nan 8.370 nan 0.000 0.449 426 I N 0.765 121.356 120.570 0.036 0.000 2.179 426 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 426 I C 2.506 178.682 176.117 0.098 0.000 1.088 426 I CA 0.776 62.105 61.300 0.049 0.000 1.357 426 I CB -0.184 37.823 38.000 0.012 0.000 1.051 426 I HN -0.045 nan 8.210 nan 0.000 0.409 427 I N -0.082 120.526 120.570 0.063 0.000 2.208 427 I HA -0.321 3.849 4.170 -0.000 0.000 0.245 427 I C 2.628 178.775 176.117 0.051 0.000 1.097 427 I CA 1.191 62.523 61.300 0.052 0.000 1.363 427 I CB -0.309 37.710 38.000 0.032 0.000 1.051 427 I HN 0.249 nan 8.210 nan 0.000 0.413 428 M N -0.735 118.900 119.600 0.059 0.000 2.067 428 M HA -0.262 4.218 4.480 -0.000 0.000 0.260 428 M C 2.301 178.642 176.300 0.068 0.000 1.069 428 M CA 1.984 57.312 55.300 0.046 0.000 1.117 428 M CB -1.268 31.356 32.600 0.040 0.000 1.334 428 M HN 0.439 nan 8.290 nan 0.000 0.407 429 W N 1.059 122.311 121.300 -0.079 0.000 2.342 429 W HA -0.184 4.476 4.660 -0.000 0.000 0.297 429 W C 2.458 178.865 176.519 -0.185 0.000 1.213 429 W CA 2.536 59.816 57.345 -0.109 0.000 1.251 429 W CB -0.192 29.175 29.460 -0.155 0.000 1.136 429 W HN 0.267 nan 8.180 nan 0.000 0.526 430 A N 0.210 123.071 122.820 0.068 0.000 1.930 430 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 430 A C 1.900 179.312 177.584 -0.286 0.000 1.175 430 A CA 1.744 53.678 52.037 -0.171 0.000 0.627 430 A CB -0.975 18.015 19.000 -0.015 0.000 0.815 430 A HN 0.411 nan 8.150 nan 0.000 0.443 431 N N -1.688 116.921 118.700 -0.151 0.000 2.309 431 N HA -0.142 4.598 4.740 -0.000 0.000 0.182 431 N C 1.555 176.962 175.510 -0.172 0.000 1.018 431 N CA 1.529 54.499 53.050 -0.133 0.000 0.876 431 N CB -0.297 38.156 38.487 -0.057 0.000 0.972 431 N HN 0.683 nan 8.380 nan 0.000 0.434 432 Y N 1.844 121.929 120.300 -0.358 0.000 2.206 432 Y HA 0.065 4.615 4.550 -0.000 0.000 0.292 432 Y C 2.103 177.683 175.900 -0.533 0.000 1.123 432 Y CA 1.265 59.129 58.100 -0.394 0.000 1.142 432 Y CB 0.015 38.238 38.460 -0.394 0.000 1.006 432 Y HN -0.156 nan 8.280 nan 0.000 0.518 433 R N 0.173 120.081 120.500 -0.988 0.000 2.161 433 R HA 0.151 4.491 4.340 -0.000 0.000 0.213 433 R C 1.152 176.918 176.300 -0.890 0.000 1.055 433 R CA 0.830 56.212 56.100 -1.197 0.000 0.996 433 R CB -0.281 28.926 30.300 -1.821 0.000 0.901 433 R HN 0.393 nan 8.270 nan 0.000 0.456 434 L N 0.609 121.407 121.223 -0.708 0.000 2.965 434 L HA 0.294 4.634 4.340 -0.000 0.000 0.254 434 L C -0.105 176.593 176.870 -0.287 0.000 1.220 434 L CA -0.249 54.299 54.840 -0.486 0.000 1.023 434 L CB 0.309 42.077 42.059 -0.486 0.000 1.355 434 L HN -0.121 nan 8.230 nan 0.000 0.545 435 Q N 1.133 120.750 119.800 -0.305 0.000 2.304 435 Q HA 0.333 4.673 4.340 -0.000 0.000 0.270 435 Q C -0.315 175.559 176.000 -0.210 0.000 1.035 435 Q CA -0.344 55.340 55.803 -0.198 0.000 0.781 435 Q CB 1.076 29.719 28.738 -0.158 0.000 1.261 435 Q HN 0.149 nan 8.270 nan 0.000 0.444 436 N N 2.832 121.442 118.700 -0.151 0.000 2.714 436 N HA -0.182 4.558 4.740 -0.000 0.000 0.252 436 N C -1.198 174.199 175.510 -0.188 0.000 1.014 436 N CA 0.992 53.960 53.050 -0.137 0.000 0.735 436 N CB -0.398 38.022 38.487 -0.112 0.000 0.924 436 N HN 0.542 nan 8.380 nan 0.000 0.540 437 K N 0.142 120.410 120.400 -0.219 0.000 2.385 437 K HA 0.510 4.830 4.320 -0.000 0.000 0.248 437 K C -2.279 174.192 176.600 -0.215 0.000 0.955 437 K CA -1.418 54.698 56.287 -0.285 0.000 0.816 437 K CB 2.459 34.695 32.500 -0.440 0.000 1.250 437 K HN -0.075 nan 8.250 nan 0.000 0.434 438 P HA 0.137 nan 4.420 nan 0.000 0.275 438 P C -0.511 176.753 177.300 -0.061 0.000 1.228 438 P CA -0.411 62.646 63.100 -0.072 0.000 0.786 438 P CB 1.008 32.730 31.700 0.035 0.000 0.927 439 V N 0.287 120.288 119.914 0.145 0.000 2.789 439 V HA 0.760 4.880 4.120 -0.000 0.000 0.311 439 V C -0.613 175.661 176.094 0.301 0.000 1.073 439 V CA -0.632 61.817 62.300 0.247 0.000 0.921 439 V CB 1.970 33.897 31.823 0.173 0.000 1.009 439 V HN 0.787 nan 8.190 nan 0.000 0.426 440 S N 6.637 122.534 115.700 0.327 0.000 2.566 440 S HA 0.882 5.352 4.470 -0.000 0.000 0.298 440 S C -0.663 173.996 174.600 0.099 0.000 1.083 440 S CA -0.771 57.491 58.200 0.104 0.000 0.978 440 S CB 1.995 65.126 63.200 -0.117 0.000 1.073 440 S HN 1.424 nan 8.310 nan 0.000 0.491 441 M N 2.381 121.982 119.600 0.001 0.000 2.470 441 M HA 0.588 5.068 4.480 -0.000 0.000 0.285 441 M C -2.384 173.839 176.300 -0.129 0.000 1.213 441 M CA -0.617 54.673 55.300 -0.017 0.000 0.901 441 M CB 2.144 34.733 32.600 -0.018 0.000 1.718 441 M HN 0.681 nan 8.290 nan 0.000 0.469 442 V N 2.638 122.500 119.914 -0.087 0.000 2.709 442 V HA 0.909 5.029 4.120 -0.000 0.000 0.308 442 V C -0.751 175.288 176.094 -0.090 0.000 1.062 442 V CA -0.653 61.572 62.300 -0.124 0.000 0.901 442 V CB 1.768 33.556 31.823 -0.057 0.000 1.003 442 V HN 0.949 nan 8.190 nan 0.000 0.425 443 A N 4.578 127.341 122.820 -0.095 0.000 2.374 443 A HA 0.915 5.235 4.320 -0.000 0.000 0.305 443 A C -1.550 176.051 177.584 0.028 0.000 1.053 443 A CA -0.491 51.561 52.037 0.026 0.000 0.726 443 A CB 1.575 20.679 19.000 0.174 0.000 1.229 443 A HN 0.970 nan 8.150 nan 0.000 0.431 444 L N 2.739 123.974 121.223 0.020 0.000 2.381 444 L HA 0.862 5.202 4.340 -0.000 0.000 0.274 444 L C 0.367 177.233 176.870 -0.008 0.000 0.988 444 L CA 1.388 56.211 54.840 -0.029 0.000 0.824 444 L CB 1.469 43.467 42.059 -0.103 0.000 1.263 444 L HN 1.973 nan 8.230 nan 0.000 0.410 445 G N 3.802 112.582 108.800 -0.034 0.000 2.317 445 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.196 445 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.196 445 G C -0.917 173.968 174.900 -0.026 0.000 1.255 445 G CA -0.216 44.858 45.100 -0.043 0.000 1.243 445 G HN 0.863 nan 8.290 nan 0.000 0.535 446 N N 1.388 120.071 118.700 -0.028 0.000 2.549 446 N HA 0.315 5.054 4.740 -0.000 0.000 0.267 446 N C 1.275 176.769 175.510 -0.026 0.000 1.182 446 N CA 1.057 54.089 53.050 -0.031 0.000 1.019 446 N CB 0.668 39.134 38.487 -0.035 0.000 1.380 446 N HN 0.599 nan 8.380 nan 0.000 0.505 447 T N 0.651 115.190 114.554 -0.024 0.000 3.072 447 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 447 T C 1.726 176.347 174.700 -0.130 0.000 1.127 447 T CA 1.491 63.572 62.100 -0.031 0.000 1.107 447 T CB -0.057 68.811 68.868 0.000 0.000 0.910 447 T HN 0.614 nan 8.240 nan 0.000 0.513 448 S N -0.333 115.300 115.700 -0.112 0.000 2.442 448 S HA -0.099 4.371 4.470 -0.000 0.000 0.236 448 S C 2.065 176.586 174.600 -0.130 0.000 1.007 448 S CA 1.681 59.803 58.200 -0.131 0.000 0.965 448 S CB -0.757 62.389 63.200 -0.091 0.000 0.773 448 S HN 0.510 nan 8.310 nan 0.000 0.504 449 T N 0.689 115.182 114.554 -0.101 0.000 3.040 449 T HA 0.297 4.647 4.350 -0.000 0.000 0.250 449 T C 0.204 174.840 174.700 -0.107 0.000 1.058 449 T CA -0.193 61.851 62.100 -0.093 0.000 0.988 449 T CB -0.289 68.545 68.868 -0.056 0.000 0.993 449 T HN 0.188 nan 8.240 nan 0.000 0.519 450 V N 5.702 125.558 119.914 -0.096 0.000 2.470 450 V HA 0.329 4.449 4.120 -0.000 0.000 0.276 450 V C -1.781 174.268 176.094 -0.074 0.000 1.040 450 V CA -1.713 60.568 62.300 -0.032 0.000 1.008 450 V CB 0.752 32.661 31.823 0.144 0.000 0.990 450 V HN 0.425 nan 8.190 nan 0.000 0.477 451 P HA 0.089 nan 4.420 nan 0.000 0.274 451 P C -0.182 177.160 177.300 0.070 0.000 1.237 451 P CA -0.485 62.467 63.100 -0.248 0.000 0.793 451 P CB 0.707 31.969 31.700 -0.730 0.000 0.977 452 N N 0.522 119.288 118.700 0.110 0.000 2.371 452 N HA -0.022 4.718 4.740 -0.000 0.000 0.243 452 N C 1.278 176.947 175.510 0.265 0.000 1.287 452 N CA -0.079 53.141 53.050 0.284 0.000 0.911 452 N CB 0.825 39.445 38.487 0.222 0.000 1.142 452 N HN 0.009 nan 8.380 nan 0.000 0.451 453 V N 1.634 121.678 119.914 0.216 0.000 2.427 453 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 453 V C 2.330 178.522 176.094 0.163 0.000 1.051 453 V CA 2.194 64.590 62.300 0.160 0.000 1.048 453 V CB -0.624 31.259 31.823 0.099 0.000 0.666 453 V HN 0.866 nan 8.190 nan 0.000 0.456 454 S N -0.797 114.996 115.700 0.155 0.000 2.428 454 S HA -0.231 4.239 4.470 -0.000 0.000 0.230 454 S C 1.956 176.635 174.600 0.131 0.000 1.014 454 S CA 1.366 59.636 58.200 0.117 0.000 0.957 454 S CB -0.686 62.570 63.200 0.093 0.000 0.784 454 S HN 0.653 nan 8.310 nan 0.000 0.499 455 Y N 2.478 122.813 120.300 0.059 0.000 2.145 455 Y HA 0.009 4.559 4.550 -0.000 0.000 0.286 455 Y C 1.917 177.843 175.900 0.043 0.000 1.145 455 Y CA 1.229 59.356 58.100 0.045 0.000 1.148 455 Y CB -0.527 37.963 38.460 0.049 0.000 0.981 455 Y HN 0.223 nan 8.280 nan 0.000 0.507 456 I N 0.379 121.177 120.570 0.381 0.000 2.163 456 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 456 I C 2.294 178.482 176.117 0.117 0.000 1.085 456 I CA 1.956 63.416 61.300 0.266 0.000 1.347 456 I CB -0.492 37.650 38.000 0.238 0.000 1.044 456 I HN 0.343 nan 8.210 nan 0.000 0.408 457 E N 0.459 120.715 120.200 0.093 0.000 2.077 457 E HA -0.289 4.060 4.350 -0.000 0.000 0.193 457 E C 2.047 178.642 176.600 -0.008 0.000 0.989 457 E CA 1.336 57.762 56.400 0.044 0.000 0.800 457 E CB -0.177 29.545 29.700 0.036 0.000 0.746 457 E HN 0.505 nan 8.360 nan 0.000 0.452 458 E N 1.128 121.300 120.200 -0.045 0.000 2.038 458 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 458 E C 1.924 178.451 176.600 -0.122 0.000 1.000 458 E CA 1.224 57.565 56.400 -0.098 0.000 0.803 458 E CB 0.222 29.829 29.700 -0.155 0.000 0.750 458 E HN -0.040 nan 8.360 nan 0.000 0.448 459 K N 0.378 120.669 120.400 -0.182 0.000 2.097 459 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 459 K C 2.209 178.782 176.600 -0.045 0.000 1.049 459 K CA 0.627 56.826 56.287 -0.147 0.000 0.933 459 K CB -0.595 31.799 32.500 -0.178 0.000 0.717 459 K HN 0.213 nan 8.250 nan 0.000 0.442 460 L N 2.178 123.404 121.223 0.005 0.000 2.027 460 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 460 L C 1.438 178.320 176.870 0.019 0.000 1.074 460 L CA 1.823 56.698 54.840 0.059 0.000 0.745 460 L CB -0.687 41.446 42.059 0.124 0.000 0.898 460 L HN 0.117 nan 8.230 nan 0.000 0.433 461 N N -0.533 118.160 118.700 -0.012 0.000 2.409 461 N HA -0.084 4.656 4.740 -0.000 0.000 0.179 461 N C 0.851 176.341 175.510 -0.034 0.000 1.032 461 N CA 0.198 53.229 53.050 -0.033 0.000 0.898 461 N CB -0.161 38.300 38.487 -0.044 0.000 0.971 461 N HN 0.559 nan 8.380 nan 0.000 0.441 462 Q N 0.000 119.778 119.800 -0.037 0.000 2.315 462 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 462 Q CA 0.000 55.778 55.803 -0.041 0.000 1.022 462 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481