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 2wu2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.316 176.300 0.026 0.000 1.140 1 M CA 0.000 55.318 55.300 0.030 0.000 0.988 1 M CB 0.000 32.627 32.600 0.045 0.000 1.302 2 K N 1.351 121.767 120.400 0.025 0.000 1.973 2 K HA 0.132 4.162 4.320 -0.483 0.000 0.210 2 K C 0.330 176.952 176.600 0.036 0.000 1.045 2 K CA 1.344 57.647 56.287 0.027 0.000 0.937 2 K CB 0.111 32.626 32.500 0.024 0.000 0.721 2 K HN 0.558 nan 8.250 nan 0.000 0.438 3 L N 2.320 123.572 121.223 0.049 0.000 2.456 3 L HA 0.111 4.161 4.340 -0.483 0.000 0.272 3 L C -2.077 174.826 176.870 0.055 0.000 1.189 3 L CA -1.419 53.459 54.840 0.064 0.000 0.846 3 L CB -0.006 42.109 42.059 0.093 0.000 1.111 3 L HN 0.101 nan 8.230 nan 0.000 0.475 4 P HA 0.060 nan 4.420 nan 0.000 0.266 4 P C -1.085 176.185 177.300 -0.051 0.000 1.195 4 P CA -0.064 63.030 63.100 -0.010 0.000 0.768 4 P CB 0.475 32.168 31.700 -0.012 0.000 0.838 5 V N 5.286 125.143 119.914 -0.095 0.000 2.357 5 V HA 0.348 4.179 4.120 -0.483 0.000 0.284 5 V C 0.443 176.361 176.094 -0.293 0.000 1.018 5 V CA -0.467 61.718 62.300 -0.192 0.000 0.841 5 V CB 1.074 32.827 31.823 -0.118 0.000 0.991 5 V HN 0.425 nan 8.190 nan 0.000 0.437 6 R N 3.515 123.751 120.500 -0.440 0.000 2.288 6 R HA 0.486 4.536 4.340 -0.483 0.000 0.326 6 R C -0.430 175.655 176.300 -0.357 0.000 0.959 6 R CA -0.475 55.370 56.100 -0.425 0.000 0.834 6 R CB 2.105 32.064 30.300 -0.568 0.000 1.157 6 R HN 0.736 nan 8.270 nan 0.000 0.470 7 E N 3.455 123.384 120.200 -0.452 0.000 2.191 7 E HA 0.403 4.463 4.350 -0.483 0.000 0.278 7 E C -1.192 175.038 176.600 -0.617 0.000 0.972 7 E CA -0.445 55.737 56.400 -0.364 0.000 0.804 7 E CB 0.830 30.360 29.700 -0.282 0.000 1.110 7 E HN 0.286 nan 8.360 nan 0.000 0.394 8 F N 1.457 121.365 119.950 -0.069 0.000 2.629 8 F HA 0.217 4.455 4.527 -0.483 0.000 0.316 8 F C 0.991 176.767 175.800 -0.040 0.000 1.081 8 F CA -0.874 57.104 58.000 -0.036 0.000 0.954 8 F CB 1.477 40.468 39.000 -0.016 0.000 1.337 8 F HN 0.416 nan 8.300 nan 0.000 0.474 9 D N 0.881 121.372 120.400 0.151 0.000 2.104 9 D HA -0.009 4.341 4.640 -0.483 0.000 0.194 9 D C 0.421 176.753 176.300 0.053 0.000 0.994 9 D CA 1.522 55.565 54.000 0.070 0.000 0.830 9 D CB -0.019 40.803 40.800 0.037 0.000 0.959 9 D HN 0.413 nan 8.370 nan 0.000 0.452 10 A N -0.016 122.837 122.820 0.056 0.000 2.414 10 A HA 0.569 4.600 4.320 -0.483 0.000 0.306 10 A C -0.993 176.547 177.584 -0.074 0.000 1.054 10 A CA -0.542 51.472 52.037 -0.037 0.000 0.724 10 A CB 2.252 21.186 19.000 -0.110 0.000 1.267 10 A HN -0.075 nan 8.150 nan 0.000 0.418 11 V N 2.450 122.299 119.914 -0.108 0.000 2.444 11 V HA 0.430 4.260 4.120 -0.483 0.000 0.294 11 V C -0.570 175.411 176.094 -0.189 0.000 1.022 11 V CA -0.498 61.675 62.300 -0.212 0.000 0.850 11 V CB 1.610 33.325 31.823 -0.180 0.000 0.992 11 V HN 0.669 nan 8.190 nan 0.000 0.426 12 V N 6.683 126.463 119.914 -0.223 0.000 2.347 12 V HA 0.466 4.296 4.120 -0.483 0.000 0.280 12 V C -0.034 175.949 176.094 -0.185 0.000 1.021 12 V CA -0.320 61.882 62.300 -0.163 0.000 0.847 12 V CB 1.603 33.346 31.823 -0.133 0.000 0.990 12 V HN 0.701 nan 8.190 nan 0.000 0.444 13 I N 5.085 125.567 120.570 -0.146 0.000 2.313 13 I HA 0.702 4.582 4.170 -0.483 0.000 0.286 13 I C 0.695 176.748 176.117 -0.107 0.000 1.091 13 I CA 0.032 61.240 61.300 -0.153 0.000 1.216 13 I CB 0.846 38.763 38.000 -0.139 0.000 1.434 13 I HN 0.832 nan 8.210 nan 0.000 0.487 14 G N 4.249 112.989 108.800 -0.100 0.000 2.760 14 G HA2 0.273 3.944 3.960 -0.483 0.000 0.540 14 G HA3 0.273 3.944 3.960 -0.483 0.000 0.540 14 G C -0.673 174.190 174.900 -0.062 0.000 1.476 14 G CA -0.331 44.729 45.100 -0.067 0.000 0.949 14 G HN 0.680 nan 8.290 nan 0.000 0.633 15 A N 1.314 124.099 122.820 -0.059 0.000 2.855 15 A HA 0.805 4.835 4.320 -0.483 0.000 0.301 15 A C 1.206 178.750 177.584 -0.066 0.000 1.076 15 A CA 0.979 52.975 52.037 -0.069 0.000 1.004 15 A CB -0.121 18.823 19.000 -0.095 0.000 1.152 15 A HN 2.001 nan 8.150 nan 0.000 0.531 16 G N -0.552 108.226 108.800 -0.037 0.000 2.494 16 G HA2 0.402 4.072 3.960 -0.483 0.000 0.270 16 G HA3 0.402 4.072 3.960 -0.483 0.000 0.270 16 G C 1.159 176.048 174.900 -0.019 0.000 1.423 16 G CA 0.183 45.269 45.100 -0.023 0.000 1.055 16 G HN 0.584 nan 8.290 nan 0.000 0.536 17 G N -0.374 108.424 108.800 -0.002 0.000 2.422 17 G HA2 0.055 3.725 3.960 -0.483 0.000 0.218 17 G HA3 0.055 3.725 3.960 -0.483 0.000 0.218 17 G C 1.914 176.825 174.900 0.018 0.000 1.146 17 G CA 1.867 46.969 45.100 0.004 0.000 0.769 17 G HN 0.866 nan 8.290 nan 0.000 0.547 18 A N 0.833 123.674 122.820 0.036 0.000 1.855 18 A HA 0.227 4.257 4.320 -0.483 0.000 0.215 18 A C 2.726 180.324 177.584 0.023 0.000 1.191 18 A CA 2.008 54.075 52.037 0.050 0.000 0.613 18 A CB -1.093 17.950 19.000 0.072 0.000 0.829 18 A HN 0.504 nan 8.150 nan 0.000 0.442 19 G N -0.859 107.942 108.800 0.001 0.000 2.408 19 G HA2 -0.176 3.495 3.960 -0.483 0.000 0.217 19 G HA3 -0.176 3.495 3.960 -0.483 0.000 0.217 19 G C 1.622 176.502 174.900 -0.033 0.000 1.150 19 G CA 1.098 46.184 45.100 -0.023 0.000 0.776 19 G HN 0.421 nan 8.290 nan 0.000 0.542 20 M N -0.330 119.253 119.600 -0.029 0.000 2.175 20 M HA 0.021 4.211 4.480 -0.483 0.000 0.264 20 M C 2.599 178.883 176.300 -0.027 0.000 1.063 20 M CA 1.132 56.413 55.300 -0.032 0.000 1.119 20 M CB -0.216 32.369 32.600 -0.026 0.000 1.377 20 M HN 0.157 nan 8.290 nan 0.000 0.415 21 R N 0.969 121.461 120.500 -0.013 0.000 2.092 21 R HA -0.029 4.022 4.340 -0.483 0.000 0.231 21 R C 2.036 178.330 176.300 -0.010 0.000 1.119 21 R CA 1.928 58.023 56.100 -0.008 0.000 0.970 21 R CB -0.649 29.656 30.300 0.008 0.000 0.864 21 R HN 0.328 nan 8.270 nan 0.000 0.440 22 A N 0.210 123.025 122.820 -0.008 0.000 1.854 22 A HA 0.042 4.072 4.320 -0.483 0.000 0.214 22 A C 2.382 179.942 177.584 -0.039 0.000 1.192 22 A CA 1.557 53.585 52.037 -0.016 0.000 0.611 22 A CB -1.193 17.798 19.000 -0.016 0.000 0.832 22 A HN 0.446 nan 8.150 nan 0.000 0.442 23 A N -0.529 122.261 122.820 -0.050 0.000 1.917 23 A HA -0.153 3.878 4.320 -0.483 0.000 0.219 23 A C 2.153 179.708 177.584 -0.049 0.000 1.182 23 A CA 1.972 53.972 52.037 -0.060 0.000 0.633 23 A CB -0.691 18.268 19.000 -0.068 0.000 0.819 23 A HN 0.581 nan 8.150 nan 0.000 0.448 24 L N -0.836 120.361 121.223 -0.044 0.000 2.017 24 L HA -0.171 3.879 4.340 -0.483 0.000 0.208 24 L C 2.571 179.421 176.870 -0.033 0.000 1.073 24 L CA 2.636 57.451 54.840 -0.043 0.000 0.745 24 L CB -0.734 41.299 42.059 -0.043 0.000 0.894 24 L HN 0.497 nan 8.230 nan 0.000 0.432 25 Q N -0.337 119.447 119.800 -0.027 0.000 2.084 25 Q HA -0.168 3.882 4.340 -0.483 0.000 0.202 25 Q C 2.117 178.101 176.000 -0.026 0.000 0.978 25 Q CA 2.066 57.857 55.803 -0.020 0.000 0.844 25 Q CB -0.353 28.381 28.738 -0.006 0.000 0.898 25 Q HN 0.622 nan 8.270 nan 0.000 0.426 26 I N -0.505 120.043 120.570 -0.037 0.000 2.179 26 I HA -0.274 3.606 4.170 -0.483 0.000 0.242 26 I C 2.434 178.533 176.117 -0.030 0.000 1.088 26 I CA 1.354 62.627 61.300 -0.046 0.000 1.357 26 I CB -0.485 37.472 38.000 -0.071 0.000 1.051 26 I HN 0.231 nan 8.210 nan 0.000 0.409 27 S N 0.260 115.945 115.700 -0.025 0.000 2.368 27 S HA -0.257 3.923 4.470 -0.483 0.000 0.225 27 S C 2.023 176.617 174.600 -0.009 0.000 1.030 27 S CA 1.585 59.778 58.200 -0.011 0.000 0.999 27 S CB -0.202 62.991 63.200 -0.012 0.000 0.844 27 S HN 0.439 nan 8.310 nan 0.000 0.459 28 Q N 0.269 120.060 119.800 -0.016 0.000 2.170 28 Q HA 0.033 4.084 4.340 -0.483 0.000 0.203 28 Q C 1.967 177.959 176.000 -0.013 0.000 0.976 28 Q CA 1.382 57.177 55.803 -0.013 0.000 0.858 28 Q CB -0.159 28.569 28.738 -0.017 0.000 0.907 28 Q HN 0.447 nan 8.270 nan 0.000 0.433 29 S N -0.910 114.781 115.700 -0.017 0.000 2.660 29 S HA 0.089 4.270 4.470 -0.483 0.000 0.223 29 S C 1.108 175.699 174.600 -0.015 0.000 0.963 29 S CA 0.628 58.817 58.200 -0.019 0.000 0.932 29 S CB 0.245 63.429 63.200 -0.026 0.000 0.775 29 S HN 0.679 nan 8.310 nan 0.000 0.531 30 G N 0.625 109.420 108.800 -0.008 0.000 2.195 30 G HA2 -0.206 3.464 3.960 -0.483 0.000 0.224 30 G HA3 -0.206 3.464 3.960 -0.483 0.000 0.224 30 G C -0.114 174.788 174.900 0.003 0.000 0.990 30 G CA -0.439 44.660 45.100 -0.002 0.000 0.639 30 G HN 0.497 nan 8.290 nan 0.000 0.514 31 Q N 1.308 121.109 119.800 0.001 0.000 2.230 31 Q HA 0.573 4.623 4.340 -0.483 0.000 0.248 31 Q C 0.788 176.810 176.000 0.036 0.000 0.915 31 Q CA 0.173 55.983 55.803 0.010 0.000 0.900 31 Q CB 1.283 30.017 28.738 -0.006 0.000 1.229 31 Q HN 0.451 nan 8.270 nan 0.000 0.439 32 T N -2.011 112.584 114.554 0.069 0.000 2.899 32 T HA 0.397 4.457 4.350 -0.483 0.000 0.295 32 T C -0.271 174.528 174.700 0.166 0.000 1.033 32 T CA -0.716 61.473 62.100 0.149 0.000 1.084 32 T CB 0.864 69.856 68.868 0.206 0.000 0.979 32 T HN 0.678 nan 8.240 nan 0.000 0.532 33 C N 2.614 122.013 119.300 0.165 0.000 2.832 33 C HA 0.716 4.886 4.460 -0.483 0.000 0.383 33 C C -0.225 174.627 174.990 -0.231 0.000 1.046 33 C CA -0.359 58.645 59.018 -0.023 0.000 1.242 33 C CB -0.162 27.551 27.740 -0.046 0.000 1.693 33 C HN 1.319 nan 8.230 nan 0.000 0.497 34 A N 5.233 127.671 122.820 -0.637 0.000 2.260 34 A HA 0.682 4.712 4.320 -0.483 0.000 0.308 34 A C -0.826 176.516 177.584 -0.405 0.000 1.254 34 A CA -0.370 51.204 52.037 -0.772 0.000 0.874 34 A CB 0.635 18.642 19.000 -1.655 0.000 1.153 34 A HN 1.236 nan 8.150 nan 0.000 0.527 35 L N 4.095 125.209 121.223 -0.182 0.000 2.262 35 L HA 0.592 4.642 4.340 -0.483 0.000 0.288 35 L C -1.129 175.670 176.870 -0.117 0.000 1.035 35 L CA -0.293 54.456 54.840 -0.151 0.000 0.820 35 L CB 0.652 42.652 42.059 -0.098 0.000 1.204 35 L HN 0.557 nan 8.230 nan 0.000 0.424 36 L N 3.935 125.031 121.223 -0.211 0.000 2.360 36 L HA 0.759 4.810 4.340 -0.483 0.000 0.271 36 L C 0.100 176.922 176.870 -0.081 0.000 1.057 36 L CA 0.161 54.890 54.840 -0.185 0.000 0.803 36 L CB 1.768 43.606 42.059 -0.369 0.000 1.207 36 L HN 0.711 nan 8.230 nan 0.000 0.445 37 S N 0.347 116.058 115.700 0.017 0.000 2.548 37 S HA 0.318 4.498 4.470 -0.483 0.000 0.278 37 S C 0.161 174.819 174.600 0.097 0.000 1.150 37 S CA -0.706 57.506 58.200 0.021 0.000 0.907 37 S CB 0.949 64.141 63.200 -0.013 0.000 1.108 37 S HN 0.716 nan 8.310 nan 0.000 0.459 38 K N 2.051 122.501 120.400 0.082 0.000 2.459 38 K HA 0.208 4.238 4.320 -0.483 0.000 0.193 38 K C 0.546 177.228 176.600 0.138 0.000 1.030 38 K CA 0.541 56.912 56.287 0.141 0.000 1.026 38 K CB -0.237 32.386 32.500 0.205 0.000 0.809 38 K HN 0.461 nan 8.250 nan 0.000 0.504 39 V N -2.367 117.621 119.914 0.123 0.000 3.102 39 V HA 0.457 4.288 4.120 -0.483 0.000 0.312 39 V C -0.315 175.874 176.094 0.158 0.000 1.135 39 V CA -1.544 60.849 62.300 0.155 0.000 1.022 39 V CB 0.997 32.900 31.823 0.134 0.000 1.056 39 V HN 0.093 nan 8.190 nan 0.000 0.436 40 F N 3.453 123.426 119.950 0.038 0.000 2.629 40 F HA 0.304 4.541 4.527 -0.483 0.000 0.377 40 F C -1.496 174.238 175.800 -0.110 0.000 1.101 40 F CA -0.911 57.071 58.000 -0.030 0.000 1.301 40 F CB 0.996 39.966 39.000 -0.051 0.000 1.062 40 F HN 0.439 nan 8.300 nan 0.000 0.583 41 P HA -0.204 nan 4.420 nan 0.000 0.216 41 P C 1.339 178.355 177.300 -0.474 0.000 1.150 41 P CA 2.567 65.327 63.100 -0.567 0.000 0.843 41 P CB -0.246 31.078 31.700 -0.627 0.000 0.787 42 T N -3.726 110.463 114.554 -0.608 0.000 3.160 42 T HA 0.043 4.103 4.350 -0.483 0.000 0.257 42 T C 1.251 175.884 174.700 -0.112 0.000 1.147 42 T CA 0.196 62.053 62.100 -0.405 0.000 1.064 42 T CB -0.538 68.007 68.868 -0.538 0.000 0.949 42 T HN 0.076 nan 8.240 nan 0.000 0.526 43 R N 1.238 121.742 120.500 0.007 0.000 2.359 43 R HA 0.321 4.371 4.340 -0.483 0.000 0.231 43 R C 0.373 176.710 176.300 0.061 0.000 0.913 43 R CA -0.122 56.024 56.100 0.077 0.000 1.075 43 R CB -0.152 30.230 30.300 0.137 0.000 1.087 43 R HN 0.315 nan 8.270 nan 0.000 0.515 44 S N 1.113 116.817 115.700 0.007 0.000 2.576 44 S HA -0.057 4.123 4.470 -0.483 0.000 0.272 44 S C 1.122 175.768 174.600 0.078 0.000 1.352 44 S CA -0.224 57.997 58.200 0.035 0.000 1.021 44 S CB 0.692 63.884 63.200 -0.013 0.000 0.887 44 S HN 0.402 nan 8.310 nan 0.000 0.542 45 H N 1.839 120.919 119.070 0.018 0.000 2.456 45 H HA -0.068 4.198 4.556 -0.484 0.000 0.296 45 H C 1.834 177.183 175.328 0.034 0.000 1.079 45 H CA 2.191 58.257 56.048 0.029 0.000 1.322 45 H CB -0.586 29.190 29.762 0.022 0.000 1.388 45 H HN 0.630 nan 8.280 nan 0.000 0.538 46 T N 0.269 114.807 114.554 -0.027 0.000 2.721 46 T HA -0.222 3.839 4.350 -0.483 0.000 0.268 46 T C 2.190 176.837 174.700 -0.088 0.000 1.038 46 T CA 1.944 64.003 62.100 -0.069 0.000 1.145 46 T CB -0.726 68.127 68.868 -0.025 0.000 0.858 46 T HN 0.459 nan 8.240 nan 0.000 0.459 47 V N -0.079 119.800 119.914 -0.058 0.000 2.568 47 V HA -0.123 3.707 4.120 -0.483 0.000 0.253 47 V C 2.218 178.329 176.094 0.030 0.000 1.072 47 V CA 1.879 64.189 62.300 0.017 0.000 1.084 47 V CB -1.016 30.861 31.823 0.090 0.000 0.676 47 V HN 0.336 nan 8.190 nan 0.000 0.469 48 S N 0.394 116.032 115.700 -0.105 0.000 2.562 48 S HA 0.473 4.654 4.470 -0.483 0.000 0.221 48 S C 1.230 175.773 174.600 -0.096 0.000 0.975 48 S CA 0.375 58.511 58.200 -0.107 0.000 0.918 48 S CB -0.340 62.749 63.200 -0.184 0.000 0.772 48 S HN 0.890 nan 8.310 nan 0.000 0.531 49 A N 1.376 124.136 122.820 -0.101 0.000 2.511 49 A HA 0.210 4.240 4.320 -0.483 0.000 0.242 49 A C 0.886 178.497 177.584 0.045 0.000 1.069 49 A CA 0.037 52.065 52.037 -0.015 0.000 0.763 49 A CB 0.290 19.288 19.000 -0.003 0.000 1.001 49 A HN 0.471 nan 8.150 nan 0.000 0.498 50 Q N 2.362 122.212 119.800 0.084 0.000 2.627 50 Q HA 0.105 4.155 4.340 -0.483 0.000 0.201 50 Q C 2.165 178.246 176.000 0.135 0.000 0.912 50 Q CA 0.600 56.462 55.803 0.099 0.000 0.877 50 Q CB -0.053 28.741 28.738 0.093 0.000 1.125 50 Q HN 0.870 nan 8.270 nan 0.000 0.637 51 G N 0.431 109.360 108.800 0.216 0.000 2.432 51 G HA2 0.187 3.857 3.960 -0.483 0.000 0.219 51 G HA3 0.187 3.857 3.960 -0.483 0.000 0.219 51 G C 0.638 175.545 174.900 0.010 0.000 1.135 51 G CA 0.896 46.165 45.100 0.282 0.000 0.767 51 G HN 0.561 nan 8.290 nan 0.000 0.550 52 G N -1.064 107.696 108.800 -0.066 0.000 2.270 52 G HA2 0.104 3.774 3.960 -0.483 0.000 0.268 52 G HA3 0.104 3.774 3.960 -0.483 0.000 0.268 52 G C -1.220 173.595 174.900 -0.141 0.000 1.312 52 G CA -0.490 44.563 45.100 -0.078 0.000 1.050 52 G HN 0.507 nan 8.290 nan 0.000 0.474 53 I N 1.148 121.658 120.570 -0.101 0.000 2.410 53 I HA 0.392 4.272 4.170 -0.483 0.000 0.286 53 I C -0.015 176.016 176.117 -0.143 0.000 1.009 53 I CA -0.633 60.627 61.300 -0.068 0.000 1.111 53 I CB 2.139 40.169 38.000 0.050 0.000 1.262 53 I HN 0.389 nan 8.210 nan 0.000 0.443 54 T N 5.867 120.332 114.554 -0.149 0.000 2.737 54 T HA 0.428 4.488 4.350 -0.483 0.000 0.296 54 T C -0.417 174.167 174.700 -0.194 0.000 0.922 54 T CA -0.177 61.796 62.100 -0.212 0.000 1.079 54 T CB 0.973 69.735 68.868 -0.177 0.000 0.892 54 T HN 0.367 nan 8.240 nan 0.000 0.514 55 V N 2.722 122.475 119.914 -0.268 0.000 2.950 55 V HA 0.627 4.457 4.120 -0.483 0.000 0.295 55 V C -0.876 175.111 176.094 -0.178 0.000 1.297 55 V CA -0.919 61.283 62.300 -0.163 0.000 0.962 55 V CB 1.888 33.658 31.823 -0.088 0.000 1.081 55 V HN 0.919 nan 8.190 nan 0.000 0.432 56 A N 6.537 129.313 122.820 -0.074 0.000 3.063 56 A HA 0.413 4.443 4.320 -0.483 0.000 0.263 56 A C 0.912 178.440 177.584 -0.093 0.000 1.736 56 A CA -0.054 51.942 52.037 -0.068 0.000 1.408 56 A CB -0.520 18.507 19.000 0.045 0.000 1.108 56 A HN 0.940 nan 8.150 nan 0.000 0.621 57 L N 0.866 121.999 121.223 -0.150 0.000 2.291 57 L HA 0.044 4.094 4.340 -0.483 0.000 0.214 57 L C 1.923 178.701 176.870 -0.152 0.000 1.120 57 L CA 0.891 55.638 54.840 -0.155 0.000 0.799 57 L CB -0.249 41.690 42.059 -0.200 0.000 0.925 57 L HN 0.814 nan 8.230 nan 0.000 0.446 58 G N 0.238 108.925 108.800 -0.189 0.000 2.198 58 G HA2 -0.291 3.379 3.960 -0.483 0.000 0.260 58 G HA3 -0.291 3.379 3.960 -0.483 0.000 0.260 58 G C 0.577 175.369 174.900 -0.180 0.000 1.025 58 G CA 0.584 45.569 45.100 -0.191 0.000 0.769 58 G HN 0.346 nan 8.290 nan 0.000 0.507 59 N N -0.278 118.297 118.700 -0.208 0.000 2.251 59 N HA 0.006 4.456 4.740 -0.483 0.000 0.181 59 N C 2.256 177.680 175.510 -0.143 0.000 1.019 59 N CA 1.702 54.659 53.050 -0.155 0.000 0.862 59 N CB -0.381 38.014 38.487 -0.153 0.000 0.992 59 N HN 0.362 nan 8.380 nan 0.000 0.429 60 T N 0.037 114.455 114.554 -0.226 0.000 3.014 60 T HA -0.003 4.057 4.350 -0.483 0.000 0.263 60 T C -0.042 174.630 174.700 -0.046 0.000 1.078 60 T CA 0.920 62.933 62.100 -0.146 0.000 1.135 60 T CB -0.054 68.706 68.868 -0.179 0.000 0.895 60 T HN 0.579 nan 8.240 nan 0.000 0.480 61 H N -1.488 117.573 119.070 -0.014 0.000 2.981 61 H HA 0.553 4.819 4.556 -0.483 0.000 0.327 61 H C -1.269 174.065 175.328 0.010 0.000 1.342 61 H CA -1.124 54.931 56.048 0.012 0.000 1.123 61 H CB 0.382 30.166 29.762 0.037 0.000 1.851 61 H HN -0.115 nan 8.280 nan 0.000 0.531 62 E N 0.677 120.998 120.200 0.201 0.000 2.465 62 E HA 0.062 4.123 4.350 -0.483 0.000 0.260 62 E C -0.640 176.072 176.600 0.187 0.000 0.980 62 E CA 0.727 57.191 56.400 0.106 0.000 0.927 62 E CB 0.540 30.288 29.700 0.080 0.000 0.934 62 E HN 0.453 nan 8.360 nan 0.000 0.459 63 D N 1.164 121.512 120.400 -0.088 0.000 2.758 63 D HA 0.389 4.739 4.640 -0.483 0.000 0.279 63 D C -1.293 174.635 176.300 -0.620 0.000 1.111 63 D CA -0.616 53.267 54.000 -0.194 0.000 1.109 63 D CB 1.459 42.206 40.800 -0.087 0.000 1.428 63 D HN 0.285 nan 8.370 nan 0.000 0.586 64 N N 0.629 118.907 118.700 -0.704 0.000 2.554 64 N HA 0.033 4.484 4.740 -0.483 0.000 0.271 64 N C 0.748 176.016 175.510 -0.403 0.000 1.081 64 N CA -0.604 51.959 53.050 -0.812 0.000 0.994 64 N CB 0.636 38.092 38.487 -1.718 0.000 1.641 64 N HN 0.635 nan 8.380 nan 0.000 0.511 65 W N 3.528 124.729 121.300 -0.164 0.000 2.350 65 W HA -0.057 4.313 4.660 -0.484 0.000 0.289 65 W C 0.474 177.052 176.519 0.099 0.000 1.215 65 W CA 0.833 58.183 57.345 0.008 0.000 1.236 65 W CB -0.355 29.102 29.460 -0.005 0.000 1.130 65 W HN 0.577 nan 8.180 nan 0.000 0.541 66 E N -0.048 119.659 120.200 -0.821 0.000 2.204 66 E HA -0.169 3.891 4.350 -0.483 0.000 0.194 66 E C 1.936 178.621 176.600 0.142 0.000 0.989 66 E CA 1.529 57.651 56.400 -0.463 0.000 0.824 66 E CB -0.494 28.928 29.700 -0.463 0.000 0.756 66 E HN 0.214 nan 8.360 nan 0.000 0.477 67 W N 0.402 121.552 121.300 -0.250 0.000 2.388 67 W HA -0.092 4.278 4.660 -0.482 0.000 0.294 67 W C 2.102 178.664 176.519 0.072 0.000 1.212 67 W CA 0.805 57.984 57.345 -0.277 0.000 1.271 67 W CB -1.272 27.986 29.460 -0.337 0.000 1.126 67 W HN 0.315 nan 8.180 nan 0.000 0.535 68 H N -0.620 118.599 119.070 0.247 0.000 2.357 68 H HA -0.152 4.114 4.556 -0.484 0.000 0.301 68 H C 2.334 177.807 175.328 0.242 0.000 1.082 68 H CA 1.552 57.735 56.048 0.225 0.000 1.342 68 H CB -0.101 29.781 29.762 0.199 0.000 1.389 68 H HN -0.026 nan 8.280 nan 0.000 0.511 69 M N 0.139 119.900 119.600 0.268 0.000 2.073 69 M HA -0.292 3.898 4.480 -0.483 0.000 0.258 69 M C 2.255 178.667 176.300 0.186 0.000 1.070 69 M CA 2.100 57.568 55.300 0.281 0.000 1.103 69 M CB -0.453 32.470 32.600 0.538 0.000 1.321 69 M HN 0.391 nan 8.290 nan 0.000 0.405 70 Y N 1.304 121.578 120.300 -0.045 0.000 2.081 70 Y HA -0.359 3.901 4.550 -0.484 0.000 0.280 70 Y C 1.909 177.679 175.900 -0.217 0.000 1.163 70 Y CA 2.430 60.216 58.100 -0.522 0.000 1.135 70 Y CB -0.504 37.756 38.460 -0.333 0.000 0.970 70 Y HN 0.373 nan 8.280 nan 0.000 0.498 71 D N -0.941 119.533 120.400 0.123 0.000 2.144 71 D HA -0.147 4.203 4.640 -0.483 0.000 0.199 71 D C 2.125 178.430 176.300 0.008 0.000 0.984 71 D CA 1.920 55.982 54.000 0.104 0.000 0.834 71 D CB -0.403 40.551 40.800 0.257 0.000 0.955 71 D HN 0.418 nan 8.370 nan 0.000 0.465 72 T N 0.447 115.024 114.554 0.038 0.000 2.737 72 T HA -0.069 3.991 4.350 -0.483 0.000 0.265 72 T C 2.303 176.955 174.700 -0.079 0.000 1.038 72 T CA 0.656 62.769 62.100 0.021 0.000 1.144 72 T CB -0.320 68.557 68.868 0.015 0.000 0.866 72 T HN -0.041 nan 8.240 nan 0.000 0.434 73 V N 1.931 121.757 119.914 -0.146 0.000 2.261 73 V HA -0.206 3.624 4.120 -0.483 0.000 0.246 73 V C 2.520 178.286 176.094 -0.548 0.000 1.047 73 V CA 1.999 64.168 62.300 -0.218 0.000 1.015 73 V CB -0.576 31.209 31.823 -0.063 0.000 0.642 73 V HN 0.475 nan 8.190 nan 0.000 0.446 74 K N 0.498 120.491 120.400 -0.677 0.000 2.057 74 K HA -0.123 3.908 4.320 -0.483 0.000 0.207 74 K C 2.127 178.469 176.600 -0.431 0.000 1.049 74 K CA 1.760 57.570 56.287 -0.795 0.000 0.931 74 K CB -0.687 31.389 32.500 -0.707 0.000 0.714 74 K HN 0.435 nan 8.250 nan 0.000 0.440 75 G N 0.411 109.104 108.800 -0.178 0.000 2.422 75 G HA2 -0.275 3.395 3.960 -0.483 0.000 0.218 75 G HA3 -0.275 3.395 3.960 -0.483 0.000 0.218 75 G C 1.457 176.343 174.900 -0.022 0.000 1.146 75 G CA 1.006 46.120 45.100 0.022 0.000 0.769 75 G HN 0.508 nan 8.290 nan 0.000 0.547 76 S N 0.024 115.667 115.700 -0.095 0.000 2.603 76 S HA 0.013 4.193 4.470 -0.483 0.000 0.229 76 S C 1.016 175.565 174.600 -0.086 0.000 0.972 76 S CA 0.956 59.127 58.200 -0.048 0.000 0.935 76 S CB -0.148 63.034 63.200 -0.030 0.000 0.769 76 S HN 0.294 nan 8.310 nan 0.000 0.536 77 D N 0.478 120.762 120.400 -0.193 0.000 2.708 77 D HA -0.264 4.086 4.640 -0.483 0.000 0.236 77 D C -0.461 175.842 176.300 0.005 0.000 1.146 77 D CA 1.072 55.006 54.000 -0.109 0.000 0.662 77 D CB -1.950 38.885 40.800 0.057 0.000 1.059 77 D HN 0.671 nan 8.370 nan 0.000 0.428 78 Y N -3.844 116.465 120.300 0.016 0.000 4.907 78 Y HA -0.357 3.902 4.550 -0.484 0.000 0.246 78 Y C 1.670 177.572 175.900 0.004 0.000 0.968 78 Y CA 1.215 59.325 58.100 0.017 0.000 1.961 78 Y CB -2.385 36.085 38.460 0.016 0.000 1.487 78 Y HN 0.499 nan 8.280 nan 0.000 0.575 79 I N -2.279 118.325 120.570 0.057 0.000 4.018 79 I HA 0.519 4.399 4.170 -0.483 0.000 0.337 79 I C 1.358 177.476 176.117 0.002 0.000 1.327 79 I CA 0.202 61.477 61.300 -0.042 0.000 1.100 79 I CB 0.213 38.140 38.000 -0.121 0.000 1.025 79 I HN 0.133 nan 8.210 nan 0.000 0.396 80 G N 1.920 110.751 108.800 0.052 0.000 2.398 80 G HA2 0.090 3.760 3.960 -0.483 0.000 0.246 80 G HA3 0.090 3.760 3.960 -0.483 0.000 0.246 80 G C -0.573 174.396 174.900 0.114 0.000 1.289 80 G CA -0.259 44.893 45.100 0.086 0.000 0.869 80 G HN 0.259 nan 8.290 nan 0.000 0.543 81 D N 2.233 122.717 120.400 0.139 0.000 2.358 81 D HA 0.033 4.383 4.640 -0.483 0.000 0.258 81 D C 1.362 177.733 176.300 0.119 0.000 1.223 81 D CA 0.222 54.304 54.000 0.136 0.000 0.886 81 D CB 1.665 42.533 40.800 0.114 0.000 1.120 81 D HN 0.510 nan 8.370 nan 0.000 0.482 82 Q N 1.532 121.414 119.800 0.136 0.000 2.079 82 Q HA -0.156 3.894 4.340 -0.483 0.000 0.200 82 Q C 1.508 177.605 176.000 0.162 0.000 0.974 82 Q CA 1.080 56.982 55.803 0.166 0.000 0.840 82 Q CB 0.150 28.997 28.738 0.182 0.000 0.898 82 Q HN 0.546 nan 8.270 nan 0.000 0.430 83 D N 0.789 121.265 120.400 0.126 0.000 2.123 83 D HA -0.178 4.173 4.640 -0.483 0.000 0.196 83 D C 1.715 178.108 176.300 0.155 0.000 0.992 83 D CA 1.581 55.655 54.000 0.123 0.000 0.833 83 D CB -0.397 40.450 40.800 0.079 0.000 0.954 83 D HN 0.176 nan 8.370 nan 0.000 0.455 84 A N 0.843 123.744 122.820 0.135 0.000 1.898 84 A HA -0.040 3.991 4.320 -0.483 0.000 0.216 84 A C 2.621 180.373 177.584 0.281 0.000 1.181 84 A CA 1.319 53.470 52.037 0.190 0.000 0.620 84 A CB -0.820 18.208 19.000 0.047 0.000 0.819 84 A HN 0.298 nan 8.150 nan 0.000 0.442 85 I N -0.515 120.169 120.570 0.189 0.000 2.226 85 I HA -0.271 3.609 4.170 -0.483 0.000 0.245 85 I C 2.577 178.803 176.117 0.182 0.000 1.100 85 I CA 1.800 63.199 61.300 0.164 0.000 1.374 85 I CB -0.377 37.703 38.000 0.134 0.000 1.057 85 I HN 0.577 nan 8.210 nan 0.000 0.413 86 E N 0.848 121.186 120.200 0.230 0.000 2.038 86 E HA -0.326 3.734 4.350 -0.483 0.000 0.195 86 E C 2.341 178.961 176.600 0.032 0.000 1.000 86 E CA 1.793 58.333 56.400 0.233 0.000 0.803 86 E CB -0.347 29.507 29.700 0.256 0.000 0.750 86 E HN 0.493 nan 8.360 nan 0.000 0.448 87 Y N 0.858 121.146 120.300 -0.020 0.000 2.128 87 Y HA -0.273 3.987 4.550 -0.484 0.000 0.284 87 Y C 2.419 178.218 175.900 -0.168 0.000 1.154 87 Y CA 2.410 60.453 58.100 -0.095 0.000 1.149 87 Y CB -0.277 38.181 38.460 -0.003 0.000 0.976 87 Y HN 0.117 nan 8.280 nan 0.000 0.505 88 M N -1.085 118.498 119.600 -0.030 0.000 2.086 88 M HA -0.248 3.943 4.480 -0.483 0.000 0.261 88 M C 2.139 178.316 176.300 -0.204 0.000 1.067 88 M CA 2.310 57.506 55.300 -0.173 0.000 1.116 88 M CB -0.556 32.094 32.600 0.084 0.000 1.348 88 M HN 0.457 nan 8.290 nan 0.000 0.407 89 C N 0.279 119.506 119.300 -0.121 0.000 2.440 89 C HA -0.092 4.078 4.460 -0.483 0.000 0.278 89 C C 2.631 177.578 174.990 -0.072 0.000 1.295 89 C CA 1.181 60.179 59.018 -0.033 0.000 1.738 89 C CB -0.996 26.779 27.740 0.058 0.000 1.987 89 C HN 0.587 nan 8.230 nan 0.000 0.492 90 K N 1.148 121.275 120.400 -0.457 0.000 2.062 90 K HA -0.075 3.955 4.320 -0.483 0.000 0.205 90 K C 1.815 178.061 176.600 -0.590 0.000 1.051 90 K CA 1.904 57.644 56.287 -0.911 0.000 0.941 90 K CB -0.622 31.036 32.500 -1.403 0.000 0.719 90 K HN 0.335 nan 8.250 nan 0.000 0.440 91 T N -0.054 114.147 114.554 -0.589 0.000 2.904 91 T HA 0.020 4.080 4.350 -0.483 0.000 0.267 91 T C 1.674 176.170 174.700 -0.340 0.000 1.059 91 T CA 0.953 62.736 62.100 -0.529 0.000 1.137 91 T CB -0.595 67.758 68.868 -0.858 0.000 0.879 91 T HN 0.506 nan 8.240 nan 0.000 0.467 92 G N 2.709 111.347 108.800 -0.269 0.000 2.599 92 G HA2 -0.236 3.434 3.960 -0.483 0.000 0.219 92 G HA3 -0.236 3.434 3.960 -0.483 0.000 0.219 92 G C -0.691 174.136 174.900 -0.122 0.000 1.193 92 G CA 0.948 45.962 45.100 -0.144 0.000 0.778 92 G HN 0.394 nan 8.290 nan 0.000 0.589 93 P HA -0.097 nan 4.420 nan 0.000 0.215 93 P C 1.701 178.922 177.300 -0.132 0.000 1.157 93 P CA 1.693 64.726 63.100 -0.112 0.000 0.874 93 P CB -0.076 31.567 31.700 -0.095 0.000 0.790 94 E N -0.350 119.761 120.200 -0.147 0.000 2.077 94 E HA -0.199 3.861 4.350 -0.483 0.000 0.193 94 E C 1.900 178.413 176.600 -0.145 0.000 0.989 94 E CA 1.320 57.630 56.400 -0.149 0.000 0.800 94 E CB -0.572 29.040 29.700 -0.148 0.000 0.746 94 E HN 0.054 nan 8.360 nan 0.000 0.452 95 A N 1.030 123.766 122.820 -0.141 0.000 1.972 95 A HA -0.134 3.896 4.320 -0.483 0.000 0.219 95 A C 2.058 179.596 177.584 -0.076 0.000 1.169 95 A CA 1.167 53.137 52.037 -0.112 0.000 0.635 95 A CB -0.336 18.589 19.000 -0.125 0.000 0.810 95 A HN 0.324 nan 8.150 nan 0.000 0.446 96 I N -0.222 120.305 120.570 -0.072 0.000 2.333 96 I HA -0.105 3.776 4.170 -0.483 0.000 0.246 96 I C 2.394 178.492 176.117 -0.031 0.000 1.106 96 I CA 0.769 62.057 61.300 -0.020 0.000 1.411 96 I CB -1.501 36.478 38.000 -0.035 0.000 1.082 96 I HN 0.260 nan 8.210 nan 0.000 0.420 97 L N 0.764 121.912 121.223 -0.126 0.000 2.079 97 L HA -0.238 3.812 4.340 -0.483 0.000 0.210 97 L C 2.550 179.228 176.870 -0.320 0.000 1.081 97 L CA 1.713 56.431 54.840 -0.203 0.000 0.752 97 L CB -0.587 41.322 42.059 -0.251 0.000 0.896 97 L HN 0.382 nan 8.230 nan 0.000 0.433 98 E N 0.840 120.889 120.200 -0.251 0.000 2.150 98 E HA -0.204 3.856 4.350 -0.483 0.000 0.193 98 E C 2.260 178.834 176.600 -0.044 0.000 0.985 98 E CA 0.866 57.142 56.400 -0.207 0.000 0.814 98 E CB -0.104 29.516 29.700 -0.134 0.000 0.752 98 E HN 0.518 nan 8.360 nan 0.000 0.466 99 L N 1.014 122.246 121.223 0.014 0.000 2.083 99 L HA -0.144 3.906 4.340 -0.483 0.000 0.209 99 L C 2.894 179.847 176.870 0.137 0.000 1.083 99 L CA 1.261 56.144 54.840 0.072 0.000 0.752 99 L CB -0.635 41.484 42.059 0.099 0.000 0.899 99 L HN 0.241 nan 8.230 nan 0.000 0.433 100 E N 0.402 120.750 120.200 0.246 0.000 2.077 100 E HA -0.234 3.826 4.350 -0.483 0.000 0.193 100 E C 2.000 178.774 176.600 0.290 0.000 0.989 100 E CA 1.528 58.128 56.400 0.333 0.000 0.800 100 E CB -0.107 29.815 29.700 0.371 0.000 0.746 100 E HN 0.647 nan 8.360 nan 0.000 0.452 101 H N -0.944 118.166 119.070 0.067 0.000 2.491 101 H HA 0.022 4.288 4.556 -0.483 0.000 0.290 101 H C 1.925 177.263 175.328 0.016 0.000 1.050 101 H CA 0.551 56.618 56.048 0.032 0.000 1.309 101 H CB 0.093 29.864 29.762 0.017 0.000 1.392 101 H HN 0.162 nan 8.280 nan 0.000 0.554 102 M N -0.360 119.322 119.600 0.137 0.000 2.686 102 M HA 0.020 4.210 4.480 -0.483 0.000 0.246 102 M C 1.368 177.689 176.300 0.035 0.000 1.096 102 M CA 0.893 56.227 55.300 0.057 0.000 1.076 102 M CB 0.724 33.338 32.600 0.025 0.000 1.504 102 M HN 0.512 nan 8.290 nan 0.000 0.524 103 G N 1.156 109.989 108.800 0.055 0.000 2.163 103 G HA2 -0.224 3.446 3.960 -0.483 0.000 0.213 103 G HA3 -0.224 3.446 3.960 -0.483 0.000 0.213 103 G C -0.014 174.886 174.900 -0.000 0.000 0.991 103 G CA -0.479 44.639 45.100 0.030 0.000 0.653 103 G HN 0.426 nan 8.290 nan 0.000 0.518 104 L N 2.626 123.829 121.223 -0.033 0.000 2.559 104 L HA 0.336 4.387 4.340 -0.483 0.000 0.274 104 L C -1.217 175.537 176.870 -0.194 0.000 1.205 104 L CA -0.908 53.824 54.840 -0.181 0.000 0.907 104 L CB 0.636 42.474 42.059 -0.368 0.000 1.153 104 L HN 0.011 nan 8.230 nan 0.000 0.490 105 P HA 0.099 nan 4.420 nan 0.000 0.225 105 P C -0.614 176.653 177.300 -0.056 0.000 1.813 105 P CA -0.249 62.814 63.100 -0.061 0.000 1.013 105 P CB -0.324 31.363 31.700 -0.022 0.000 1.961 106 F N 0.601 120.581 119.950 0.050 0.000 2.595 106 F HA -0.001 4.236 4.527 -0.484 0.000 0.359 106 F C 1.685 177.520 175.800 0.059 0.000 1.147 106 F CA 0.790 58.825 58.000 0.059 0.000 1.341 106 F CB 0.035 39.069 39.000 0.056 0.000 1.104 106 F HN 0.096 nan 8.300 nan 0.000 0.603 107 S N 2.908 118.793 115.700 0.307 0.000 2.596 107 S HA 0.454 4.634 4.470 -0.483 0.000 0.260 107 S C -0.010 174.709 174.600 0.199 0.000 1.336 107 S CA -0.697 57.606 58.200 0.172 0.000 0.993 107 S CB 0.572 63.813 63.200 0.068 0.000 0.923 107 S HN 0.322 nan 8.310 nan 0.000 0.567 108 R N 0.595 121.158 120.500 0.105 0.000 2.686 108 R HA 0.480 4.530 4.340 -0.483 0.000 0.283 108 R C -0.758 175.600 176.300 0.096 0.000 0.978 108 R CA -0.609 55.555 56.100 0.106 0.000 0.897 108 R CB 0.858 31.198 30.300 0.068 0.000 1.192 108 R HN 0.517 nan 8.270 nan 0.000 0.457 109 L N 1.407 122.704 121.223 0.123 0.000 2.475 109 L HA 0.141 4.191 4.340 -0.483 0.000 0.253 109 L C 1.188 178.093 176.870 0.057 0.000 1.198 109 L CA -0.374 54.532 54.840 0.109 0.000 0.814 109 L CB 0.497 42.612 42.059 0.094 0.000 1.134 109 L HN 0.473 nan 8.230 nan 0.000 0.478 110 D N 0.262 120.690 120.400 0.047 0.000 2.263 110 D HA -0.162 4.188 4.640 -0.483 0.000 0.208 110 D C 1.169 177.484 176.300 0.025 0.000 0.971 110 D CA 1.140 55.158 54.000 0.030 0.000 0.867 110 D CB -0.125 40.692 40.800 0.027 0.000 0.929 110 D HN 0.599 nan 8.370 nan 0.000 0.492 111 D N -1.567 118.849 120.400 0.027 0.000 2.339 111 D HA 0.138 4.488 4.640 -0.483 0.000 0.217 111 D C 1.518 177.829 176.300 0.018 0.000 1.050 111 D CA 0.716 54.727 54.000 0.019 0.000 0.856 111 D CB 0.172 40.981 40.800 0.016 0.000 0.922 111 D HN 0.196 nan 8.370 nan 0.000 0.518 112 G N 0.008 108.823 108.800 0.025 0.000 2.201 112 G HA2 -0.244 3.426 3.960 -0.483 0.000 0.212 112 G HA3 -0.244 3.426 3.960 -0.483 0.000 0.212 112 G C 0.316 175.233 174.900 0.029 0.000 0.994 112 G CA -0.333 44.783 45.100 0.027 0.000 0.644 112 G HN 0.385 nan 8.290 nan 0.000 0.508 113 R N -0.079 120.433 120.500 0.021 0.000 2.560 113 R HA 0.581 4.631 4.340 -0.483 0.000 0.270 113 R C 0.799 177.101 176.300 0.003 0.000 1.074 113 R CA -0.676 55.423 56.100 -0.001 0.000 1.140 113 R CB 0.775 31.062 30.300 -0.021 0.000 1.073 113 R HN 0.270 nan 8.270 nan 0.000 0.527 114 I N 2.347 122.881 120.570 -0.059 0.000 2.752 114 I HA -0.181 3.699 4.170 -0.483 0.000 0.289 114 I C 0.264 176.354 176.117 -0.046 0.000 1.197 114 I CA 0.456 61.690 61.300 -0.110 0.000 1.432 114 I CB -0.099 37.643 38.000 -0.429 0.000 1.359 114 I HN 0.439 nan 8.210 nan 0.000 0.571 115 Y N 7.492 127.750 120.300 -0.069 0.000 2.442 115 Y HA 0.167 4.427 4.550 -0.484 0.000 0.330 115 Y C -0.156 175.704 175.900 -0.067 0.000 1.129 115 Y CA -0.079 57.997 58.100 -0.041 0.000 1.365 115 Y CB 0.386 38.856 38.460 0.016 0.000 1.233 115 Y HN 0.497 nan 8.280 nan 0.000 0.529 116 Q N 6.750 126.100 119.800 -0.750 0.000 2.340 116 Q HA 0.442 4.493 4.340 -0.483 0.000 0.268 116 Q C -1.083 174.385 176.000 -0.887 0.000 1.031 116 Q CA -1.148 54.248 55.803 -0.677 0.000 0.804 116 Q CB 2.392 30.888 28.738 -0.403 0.000 1.286 116 Q HN 0.765 nan 8.270 nan 0.000 0.448 117 R N 0.738 120.891 120.500 -0.579 0.000 2.787 117 R HA 0.703 4.753 4.340 -0.483 0.000 0.271 117 R C -2.802 173.488 176.300 -0.017 0.000 0.993 117 R CA -2.246 53.701 56.100 -0.256 0.000 0.993 117 R CB 0.544 30.859 30.300 0.024 0.000 1.155 117 R HN 0.197 nan 8.270 nan 0.000 0.486 118 P HA 0.114 nan 4.420 nan 0.000 0.269 118 P C -1.275 176.203 177.300 0.295 0.000 1.215 118 P CA 0.075 63.260 63.100 0.141 0.000 0.780 118 P CB 0.315 32.073 31.700 0.097 0.000 0.898 119 F N -0.676 119.267 119.950 -0.011 0.000 2.779 119 F HA 0.509 4.751 4.527 -0.476 0.000 0.316 119 F C 0.316 176.097 175.800 -0.032 0.000 1.164 119 F CA -0.480 57.510 58.000 -0.017 0.000 0.924 119 F CB 1.026 40.016 39.000 -0.018 0.000 1.348 119 F HN 0.298 nan 8.300 nan 0.000 0.467 120 G N 0.381 109.164 108.800 -0.028 0.000 2.398 120 G HA2 0.425 4.095 3.960 -0.483 0.000 0.246 120 G HA3 0.425 4.095 3.960 -0.483 0.000 0.246 120 G C 0.563 175.462 174.900 -0.002 0.000 1.289 120 G CA 0.328 45.374 45.100 -0.089 0.000 0.869 120 G HN 1.681 nan 8.290 nan 0.000 0.543 121 G N 1.032 109.802 108.800 -0.050 0.000 2.298 121 G HA2 -0.200 3.470 3.960 -0.483 0.000 0.287 121 G HA3 -0.200 3.470 3.960 -0.483 0.000 0.287 121 G C 0.044 175.030 174.900 0.143 0.000 1.075 121 G CA 0.286 45.421 45.100 0.058 0.000 0.960 121 G HN 0.880 nan 8.290 nan 0.000 0.502 122 Q N -0.087 119.788 119.800 0.125 0.000 2.290 122 Q HA 0.606 4.656 4.340 -0.483 0.000 0.269 122 Q C -0.153 175.901 176.000 0.091 0.000 1.016 122 Q CA -0.162 55.716 55.803 0.125 0.000 0.754 122 Q CB 2.196 31.002 28.738 0.113 0.000 1.247 122 Q HN 0.754 nan 8.270 nan 0.000 0.451 123 S N 1.722 117.468 115.700 0.075 0.000 2.599 123 S HA 0.639 4.820 4.470 -0.483 0.000 0.287 123 S C -0.817 173.669 174.600 -0.190 0.000 1.105 123 S CA -1.026 57.145 58.200 -0.048 0.000 0.899 123 S CB 2.079 65.256 63.200 -0.039 0.000 1.100 123 S HN 0.403 nan 8.310 nan 0.000 0.482 124 K N 1.070 121.225 120.400 -0.410 0.000 2.110 124 K HA 0.435 4.465 4.320 -0.483 0.000 0.263 124 K C -0.550 175.236 176.600 -1.356 0.000 0.975 124 K CA -0.699 55.029 56.287 -0.933 0.000 0.895 124 K CB 0.343 32.410 32.500 -0.721 0.000 1.060 124 K HN 0.812 nan 8.250 nan 0.000 0.448 125 N N 1.414 118.519 118.700 -2.659 0.000 2.738 125 N HA -0.208 4.242 4.740 -0.483 0.000 0.249 125 N C -1.283 173.675 175.510 -0.920 0.000 1.047 125 N CA 0.540 52.621 53.050 -1.616 0.000 0.707 125 N CB -1.634 36.425 38.487 -0.713 0.000 0.937 125 N HN 0.620 nan 8.380 nan 0.000 0.545 126 F N -1.781 117.599 119.950 -0.949 0.000 2.803 126 F HA -0.119 4.117 4.527 -0.484 0.000 0.323 126 F C 1.444 176.613 175.800 -1.051 0.000 1.033 126 F CA 1.146 58.476 58.000 -1.116 0.000 1.066 126 F CB -1.766 36.764 39.000 -0.783 0.000 1.283 126 F HN 0.573 nan 8.300 nan 0.000 0.816 127 G N -1.030 107.448 108.800 -0.536 0.000 2.131 127 G HA2 0.106 3.776 3.960 -0.483 0.000 0.223 127 G HA3 0.106 3.776 3.960 -0.483 0.000 0.223 127 G C 0.821 175.640 174.900 -0.136 0.000 0.990 127 G CA 0.030 45.056 45.100 -0.123 0.000 0.671 127 G HN 1.374 nan 8.290 nan 0.000 0.521 128 G N -0.352 108.297 108.800 -0.251 0.000 3.086 128 G HA2 0.519 4.189 3.960 -0.483 0.000 0.159 128 G HA3 0.519 4.189 3.960 -0.483 0.000 0.159 128 G C 0.316 175.115 174.900 -0.168 0.000 1.654 128 G CA 0.395 45.367 45.100 -0.214 0.000 1.078 128 G HN 0.772 nan 8.290 nan 0.000 0.558 129 E N 0.133 120.215 120.200 -0.196 0.000 2.398 129 E HA 0.165 4.225 4.350 -0.483 0.000 0.263 129 E C 0.072 176.587 176.600 -0.141 0.000 1.046 129 E CA -0.407 55.904 56.400 -0.148 0.000 0.908 129 E CB 0.563 30.170 29.700 -0.155 0.000 0.963 129 E HN 0.268 nan 8.360 nan 0.000 0.431 130 Q N 1.944 121.695 119.800 -0.083 0.000 2.304 130 Q HA 0.129 4.179 4.340 -0.483 0.000 0.301 130 Q C -1.302 174.657 176.000 -0.067 0.000 1.063 130 Q CA 0.601 56.378 55.803 -0.044 0.000 0.947 130 Q CB 0.866 29.596 28.738 -0.013 0.000 1.201 130 Q HN 0.539 nan 8.270 nan 0.000 0.389 131 A N 3.101 125.922 122.820 0.002 0.000 2.282 131 A HA 0.877 4.908 4.320 -0.483 0.000 0.324 131 A C -1.014 176.691 177.584 0.202 0.000 1.119 131 A CA -0.276 51.821 52.037 0.099 0.000 0.880 131 A CB 1.343 20.455 19.000 0.186 0.000 1.294 131 A HN 0.998 nan 8.150 nan 0.000 0.493 132 A N 0.380 123.435 122.820 0.392 0.000 2.646 132 A HA 0.574 4.604 4.320 -0.483 0.000 0.312 132 A C 0.185 177.735 177.584 -0.056 0.000 1.245 132 A CA -0.392 51.715 52.037 0.118 0.000 0.755 132 A CB 0.084 19.129 19.000 0.075 0.000 1.132 132 A HN 1.037 nan 8.150 nan 0.000 0.458 133 R N 0.472 120.923 120.500 -0.083 0.000 2.572 133 R HA 0.195 4.245 4.340 -0.483 0.000 0.370 133 R C -0.785 175.371 176.300 -0.239 0.000 1.005 133 R CA 0.034 56.020 56.100 -0.190 0.000 1.146 133 R CB 0.206 30.402 30.300 -0.173 0.000 1.390 133 R HN 0.319 nan 8.270 nan 0.000 0.553 134 T N 1.807 116.217 114.554 -0.240 0.000 2.723 134 T HA 0.468 4.528 4.350 -0.483 0.000 0.297 134 T C 0.011 174.554 174.700 -0.260 0.000 0.925 134 T CA -0.203 61.704 62.100 -0.321 0.000 1.030 134 T CB 1.225 69.753 68.868 -0.566 0.000 0.905 134 T HN 0.378 nan 8.240 nan 0.000 0.502 135 A N 3.249 125.947 122.820 -0.204 0.000 2.366 135 A HA 0.755 4.785 4.320 -0.483 0.000 0.272 135 A C 0.319 177.965 177.584 0.103 0.000 1.135 135 A CA -0.618 51.331 52.037 -0.147 0.000 0.804 135 A CB 0.196 19.017 19.000 -0.300 0.000 1.064 135 A HN 1.009 nan 8.150 nan 0.000 0.499 136 A N 1.337 124.314 122.820 0.262 0.000 2.475 136 A HA 0.785 4.816 4.320 -0.483 0.000 0.301 136 A C -0.245 177.577 177.584 0.397 0.000 1.059 136 A CA 0.019 52.252 52.037 0.326 0.000 0.710 136 A CB 1.427 20.598 19.000 0.284 0.000 1.288 136 A HN 2.199 nan 8.150 nan 0.000 0.408 137 A N 1.533 124.488 122.820 0.224 0.000 2.394 137 A HA 0.737 4.768 4.320 -0.483 0.000 0.333 137 A C 0.979 178.623 177.584 0.100 0.000 1.397 137 A CA 0.686 52.800 52.037 0.129 0.000 0.884 137 A CB -0.854 18.153 19.000 0.013 0.000 1.147 137 A HN 2.836 nan 8.150 nan 0.000 0.505 138 A N 2.530 125.403 122.820 0.089 0.000 5.324 138 A HA -0.286 3.744 4.320 -0.483 0.000 0.337 138 A C 0.812 178.453 177.584 0.095 0.000 1.730 138 A CA 1.981 54.051 52.037 0.055 0.000 0.711 138 A CB -1.349 17.659 19.000 0.014 0.000 1.434 138 A HN 1.531 nan 8.150 nan 0.000 0.400 139 D N -0.545 119.897 120.400 0.070 0.000 2.788 139 D HA 0.394 4.744 4.640 -0.483 0.000 0.289 139 D C 0.349 176.689 176.300 0.067 0.000 1.340 139 D CA -0.028 54.026 54.000 0.089 0.000 0.831 139 D CB -0.235 40.615 40.800 0.083 0.000 1.103 139 D HN 0.601 nan 8.370 nan 0.000 0.476 140 R N -0.297 120.241 120.500 0.062 0.000 2.690 140 R HA 0.217 4.267 4.340 -0.483 0.000 0.419 140 R C 0.536 176.896 176.300 0.100 0.000 1.090 140 R CA -0.178 55.961 56.100 0.064 0.000 1.064 140 R CB 0.387 30.691 30.300 0.007 0.000 1.391 140 R HN -0.038 nan 8.270 nan 0.000 0.586 141 T N -0.209 114.394 114.554 0.081 0.000 2.788 141 T HA -0.116 3.944 4.350 -0.483 0.000 0.268 141 T C 1.983 176.706 174.700 0.039 0.000 1.044 141 T CA 1.738 63.870 62.100 0.053 0.000 1.139 141 T CB 0.005 68.912 68.868 0.066 0.000 0.867 141 T HN 0.548 nan 8.240 nan 0.000 0.454 142 G N 0.626 109.460 108.800 0.057 0.000 2.404 142 G HA2 -0.254 3.416 3.960 -0.483 0.000 0.215 142 G HA3 -0.254 3.416 3.960 -0.483 0.000 0.215 142 G C 1.208 176.143 174.900 0.058 0.000 1.174 142 G CA 1.123 46.243 45.100 0.034 0.000 0.780 142 G HN 0.638 nan 8.290 nan 0.000 0.537 143 H N 1.173 120.263 119.070 0.033 0.000 2.265 143 H HA -0.052 4.214 4.556 -0.483 0.000 0.293 143 H C 2.705 178.113 175.328 0.134 0.000 1.089 143 H CA 2.566 58.683 56.048 0.114 0.000 1.244 143 H CB -0.306 29.512 29.762 0.094 0.000 1.355 143 H HN 0.290 nan 8.280 nan 0.000 0.485 144 A N 0.526 123.415 122.820 0.114 0.000 1.908 144 A HA -0.146 3.884 4.320 -0.483 0.000 0.218 144 A C 2.466 180.002 177.584 -0.080 0.000 1.181 144 A CA 1.714 53.749 52.037 -0.002 0.000 0.627 144 A CB -1.016 17.955 19.000 -0.049 0.000 0.818 144 A HN 0.526 nan 8.150 nan 0.000 0.445 145 L N -0.912 120.261 121.223 -0.083 0.000 1.994 145 L HA -0.105 3.945 4.340 -0.483 0.000 0.208 145 L C 2.265 179.094 176.870 -0.069 0.000 1.071 145 L CA 2.163 56.953 54.840 -0.084 0.000 0.745 145 L CB -0.671 41.356 42.059 -0.053 0.000 0.892 145 L HN 0.312 nan 8.230 nan 0.000 0.431 146 L N -0.658 120.513 121.223 -0.087 0.000 2.017 146 L HA -0.234 3.816 4.340 -0.483 0.000 0.208 146 L C 2.665 179.426 176.870 -0.183 0.000 1.073 146 L CA 1.865 56.620 54.840 -0.140 0.000 0.745 146 L CB -0.969 40.975 42.059 -0.191 0.000 0.894 146 L HN 0.430 nan 8.230 nan 0.000 0.432 147 H N -1.379 117.606 119.070 -0.143 0.000 2.387 147 H HA -0.119 4.147 4.556 -0.483 0.000 0.299 147 H C 2.027 177.346 175.328 -0.015 0.000 1.090 147 H CA 1.907 57.907 56.048 -0.081 0.000 1.332 147 H CB -0.321 29.316 29.762 -0.209 0.000 1.386 147 H HN 0.388 nan 8.280 nan 0.000 0.516 148 T N 1.392 115.967 114.554 0.034 0.000 2.746 148 T HA -0.078 3.982 4.350 -0.483 0.000 0.267 148 T C 2.453 177.146 174.700 -0.012 0.000 1.039 148 T CA 0.673 62.774 62.100 0.002 0.000 1.142 148 T CB -0.276 68.568 68.868 -0.040 0.000 0.866 148 T HN 0.180 nan 8.240 nan 0.000 0.444 149 L N -0.403 120.809 121.223 -0.018 0.000 2.093 149 L HA -0.075 3.975 4.340 -0.483 0.000 0.208 149 L C 2.385 179.246 176.870 -0.016 0.000 1.085 149 L CA 1.349 56.174 54.840 -0.025 0.000 0.755 149 L CB -0.552 41.492 42.059 -0.025 0.000 0.904 149 L HN 0.251 nan 8.230 nan 0.000 0.435 150 Y N 1.152 121.376 120.300 -0.128 0.000 2.128 150 Y HA -0.327 3.933 4.550 -0.483 0.000 0.284 150 Y C 2.683 178.535 175.900 -0.081 0.000 1.154 150 Y CA 1.731 59.748 58.100 -0.137 0.000 1.149 150 Y CB -0.382 37.962 38.460 -0.193 0.000 0.976 150 Y HN 0.182 nan 8.280 nan 0.000 0.505 151 Q N -0.542 119.184 119.800 -0.124 0.000 2.112 151 Q HA -0.265 3.785 4.340 -0.483 0.000 0.206 151 Q C 2.210 178.087 176.000 -0.205 0.000 0.987 151 Q CA 1.852 57.552 55.803 -0.173 0.000 0.858 151 Q CB -0.187 28.528 28.738 -0.038 0.000 0.905 151 Q HN 0.524 nan 8.270 nan 0.000 0.420 152 Q N 0.141 119.852 119.800 -0.149 0.000 2.119 152 Q HA -0.083 3.967 4.340 -0.483 0.000 0.201 152 Q C 1.690 177.581 176.000 -0.181 0.000 0.972 152 Q CA 0.846 56.566 55.803 -0.137 0.000 0.847 152 Q CB -0.258 28.430 28.738 -0.083 0.000 0.903 152 Q HN 0.468 nan 8.270 nan 0.000 0.433 153 N N 0.624 119.195 118.700 -0.214 0.000 2.166 153 N HA -0.090 4.360 4.740 -0.483 0.000 0.186 153 N C 2.041 177.370 175.510 -0.303 0.000 1.019 153 N CA 0.777 53.689 53.050 -0.231 0.000 0.856 153 N CB -0.077 38.293 38.487 -0.194 0.000 0.993 153 N HN 0.239 nan 8.380 nan 0.000 0.426 154 L N 1.310 122.276 121.223 -0.429 0.000 1.994 154 L HA -0.158 3.892 4.340 -0.483 0.000 0.208 154 L C 2.587 179.229 176.870 -0.380 0.000 1.071 154 L CA 1.243 55.859 54.840 -0.374 0.000 0.745 154 L CB -0.476 41.355 42.059 -0.381 0.000 0.892 154 L HN 0.126 nan 8.230 nan 0.000 0.431 155 K N 0.638 120.840 120.400 -0.330 0.000 2.113 155 K HA -0.265 3.765 4.320 -0.483 0.000 0.208 155 K C 1.807 178.114 176.600 -0.489 0.000 1.047 155 K CA 2.123 58.200 56.287 -0.351 0.000 0.928 155 K CB -0.113 32.264 32.500 -0.205 0.000 0.716 155 K HN 0.197 nan 8.250 nan 0.000 0.446 156 N N -0.227 118.270 118.700 -0.337 0.000 2.463 156 N HA -0.128 4.322 4.740 -0.483 0.000 0.181 156 N C -0.643 174.773 175.510 -0.157 0.000 1.078 156 N CA 0.561 53.476 53.050 -0.225 0.000 0.902 156 N CB 0.188 38.602 38.487 -0.122 0.000 0.970 156 N HN 0.258 nan 8.380 nan 0.000 0.451 157 H N -1.624 117.404 119.070 -0.070 0.000 2.903 157 H HA -0.143 4.124 4.556 -0.483 0.000 0.285 157 H C -0.592 174.704 175.328 -0.053 0.000 1.231 157 H CA 1.157 57.170 56.048 -0.059 0.000 1.135 157 H CB -2.786 26.954 29.762 -0.036 0.000 1.328 157 H HN 0.200 nan 8.280 nan 0.000 0.388 158 T N 1.536 116.084 114.554 -0.010 0.000 2.933 158 T HA 0.034 4.094 4.350 -0.483 0.000 0.306 158 T C 1.020 175.707 174.700 -0.022 0.000 1.045 158 T CA 0.666 62.753 62.100 -0.022 0.000 1.143 158 T CB 0.587 69.416 68.868 -0.065 0.000 1.003 158 T HN 0.244 nan 8.240 nan 0.000 0.540 159 T N 5.162 119.709 114.554 -0.012 0.000 2.743 159 T HA 0.313 4.373 4.350 -0.483 0.000 0.290 159 T C 0.384 174.996 174.700 -0.147 0.000 0.908 159 T CA -0.057 62.008 62.100 -0.058 0.000 1.092 159 T CB -0.456 68.460 68.868 0.081 0.000 0.882 159 T HN 0.357 nan 8.240 nan 0.000 0.531 160 I N 3.596 124.018 120.570 -0.246 0.000 2.404 160 I HA 0.398 4.278 4.170 -0.483 0.000 0.293 160 I C -0.645 175.253 176.117 -0.364 0.000 0.992 160 I CA -0.872 60.321 61.300 -0.179 0.000 1.149 160 I CB 1.600 39.562 38.000 -0.064 0.000 1.315 160 I HN 0.516 nan 8.210 nan 0.000 0.446 161 F N 4.331 124.196 119.950 -0.141 0.000 2.307 161 F HA 0.253 4.490 4.527 -0.483 0.000 0.369 161 F C 0.779 176.667 175.800 0.147 0.000 1.076 161 F CA -0.402 57.514 58.000 -0.140 0.000 1.149 161 F CB 1.288 39.889 39.000 -0.665 0.000 1.410 161 F HN 0.335 nan 8.300 nan 0.000 0.481 162 S N 2.383 118.298 115.700 0.358 0.000 2.513 162 S HA 0.230 4.410 4.470 -0.483 0.000 0.276 162 S C 0.343 175.203 174.600 0.433 0.000 1.254 162 S CA -0.165 58.228 58.200 0.320 0.000 1.053 162 S CB 0.207 63.571 63.200 0.273 0.000 0.958 162 S HN 0.755 nan 8.310 nan 0.000 0.491 163 E N 1.755 122.143 120.200 0.313 0.000 2.340 163 E HA -0.190 3.870 4.350 -0.483 0.000 0.240 163 E C -1.594 175.075 176.600 0.115 0.000 1.154 163 E CA 0.569 57.085 56.400 0.194 0.000 0.717 163 E CB -1.364 28.434 29.700 0.163 0.000 1.250 163 E HN 0.598 nan 8.360 nan 0.000 0.386 164 W N 0.676 122.035 121.300 0.100 0.000 2.529 164 W HA 0.451 4.821 4.660 -0.484 0.000 0.321 164 W C -0.050 176.512 176.519 0.071 0.000 1.047 164 W CA -0.641 56.767 57.345 0.104 0.000 1.216 164 W CB 0.757 30.285 29.460 0.112 0.000 1.357 164 W HN 0.180 nan 8.180 nan 0.000 0.489 165 Y N 3.403 123.782 120.300 0.132 0.000 2.369 165 Y HA 0.626 4.886 4.550 -0.484 0.000 0.337 165 Y C 0.252 176.214 175.900 0.104 0.000 0.961 165 Y CA -1.096 57.042 58.100 0.062 0.000 1.186 165 Y CB 0.385 38.827 38.460 -0.030 0.000 1.139 165 Y HN 0.502 nan 8.280 nan 0.000 0.494 166 A N 7.008 129.609 122.820 -0.365 0.000 2.492 166 A HA 0.270 4.300 4.320 -0.483 0.000 0.254 166 A C 0.173 177.587 177.584 -0.283 0.000 1.091 166 A CA -0.108 51.793 52.037 -0.226 0.000 0.768 166 A CB 0.151 19.020 19.000 -0.219 0.000 1.028 166 A HN 1.086 nan 8.150 nan 0.000 0.498 167 L N 1.363 122.595 121.223 0.015 0.000 2.185 167 L HA 0.260 4.310 4.340 -0.483 0.000 0.198 167 L C 0.148 177.066 176.870 0.081 0.000 1.079 167 L CA 0.600 55.516 54.840 0.127 0.000 0.780 167 L CB 0.060 42.232 42.059 0.187 0.000 0.955 167 L HN 0.576 nan 8.230 nan 0.000 0.462 168 D N -1.208 119.231 120.400 0.066 0.000 2.706 168 D HA 0.368 4.718 4.640 -0.483 0.000 0.225 168 D C -1.007 175.320 176.300 0.046 0.000 1.241 168 D CA -0.469 53.561 54.000 0.050 0.000 0.784 168 D CB 2.483 43.316 40.800 0.056 0.000 1.521 168 D HN -0.153 nan 8.370 nan 0.000 0.461 169 L N 0.630 121.873 121.223 0.034 0.000 2.483 169 L HA 0.256 4.306 4.340 -0.483 0.000 0.275 169 L C 0.205 177.092 176.870 0.029 0.000 1.220 169 L CA -0.314 54.551 54.840 0.041 0.000 0.833 169 L CB 0.403 42.480 42.059 0.031 0.000 1.102 169 L HN 0.027 nan 8.230 nan 0.000 0.490 170 V N 2.805 122.742 119.914 0.037 0.000 2.398 170 V HA 0.344 4.174 4.120 -0.483 0.000 0.286 170 V C 0.063 176.158 176.094 0.002 0.000 1.026 170 V CA -0.743 61.540 62.300 -0.027 0.000 0.868 170 V CB 1.528 33.264 31.823 -0.145 0.000 0.982 170 V HN 0.643 nan 8.190 nan 0.000 0.443 171 K N 3.312 123.700 120.400 -0.020 0.000 2.203 171 K HA 0.489 4.519 4.320 -0.483 0.000 0.251 171 K C -0.324 176.269 176.600 -0.013 0.000 0.944 171 K CA -0.755 55.529 56.287 -0.005 0.000 0.829 171 K CB 1.709 34.203 32.500 -0.009 0.000 1.125 171 K HN 0.853 nan 8.250 nan 0.000 0.430 172 N N 0.329 119.031 118.700 0.003 0.000 2.448 172 N HA -0.041 4.410 4.740 -0.483 0.000 0.274 172 N C 0.690 176.197 175.510 -0.005 0.000 1.239 172 N CA -0.288 52.763 53.050 0.002 0.000 0.982 172 N CB 0.321 38.820 38.487 0.020 0.000 1.199 172 N HN 0.606 nan 8.380 nan 0.000 0.576 173 Q N -1.509 118.288 119.800 -0.005 0.000 2.291 173 Q HA -0.118 3.933 4.340 -0.483 0.000 0.206 173 Q C -0.288 175.708 176.000 -0.006 0.000 0.976 173 Q CA 1.510 57.309 55.803 -0.007 0.000 0.875 173 Q CB -0.285 28.450 28.738 -0.006 0.000 0.927 173 Q HN 0.548 nan 8.270 nan 0.000 0.450 174 D N 0.111 120.510 120.400 -0.003 0.000 2.340 174 D HA 0.085 4.435 4.640 -0.483 0.000 0.220 174 D C 0.974 177.269 176.300 -0.008 0.000 1.039 174 D CA 0.975 54.973 54.000 -0.004 0.000 0.866 174 D CB 0.724 41.524 40.800 -0.000 0.000 0.913 174 D HN 0.552 nan 8.370 nan 0.000 0.523 175 G N 0.645 109.440 108.800 -0.008 0.000 2.175 175 G HA2 -0.199 3.471 3.960 -0.483 0.000 0.244 175 G HA3 -0.199 3.471 3.960 -0.483 0.000 0.244 175 G C 0.497 175.391 174.900 -0.010 0.000 0.982 175 G CA 0.118 45.211 45.100 -0.013 0.000 0.641 175 G HN 0.588 nan 8.290 nan 0.000 0.527 176 A N -0.001 122.819 122.820 0.000 0.000 2.354 176 A HA 0.720 4.750 4.320 -0.483 0.000 0.269 176 A C 0.653 178.251 177.584 0.023 0.000 1.109 176 A CA 0.073 52.115 52.037 0.009 0.000 0.800 176 A CB 1.100 20.112 19.000 0.020 0.000 1.045 176 A HN 1.123 nan 8.150 nan 0.000 0.489 177 V N 2.817 122.749 119.914 0.029 0.000 2.555 177 V HA 0.240 4.070 4.120 -0.483 0.000 0.286 177 V C 0.892 177.042 176.094 0.093 0.000 1.044 177 V CA 0.636 62.968 62.300 0.054 0.000 1.026 177 V CB 1.160 33.012 31.823 0.049 0.000 0.981 177 V HN 1.024 nan 8.190 nan 0.000 0.480 178 V N 1.903 121.891 119.914 0.123 0.000 2.991 178 V HA 0.872 4.702 4.120 -0.483 0.000 0.355 178 V C 0.467 176.724 176.094 0.271 0.000 1.384 178 V CA 0.418 62.822 62.300 0.174 0.000 1.171 178 V CB -0.374 31.553 31.823 0.173 0.000 1.190 178 V HN 1.329 nan 8.190 nan 0.000 0.540 179 G N -0.205 108.739 108.800 0.239 0.000 2.280 179 G HA2 0.263 3.934 3.960 -0.483 0.000 0.277 179 G HA3 0.263 3.934 3.960 -0.483 0.000 0.277 179 G C -0.560 174.502 174.900 0.270 0.000 1.288 179 G CA 0.286 45.551 45.100 0.276 0.000 1.075 179 G HN 1.812 nan 8.290 nan 0.000 0.480 180 C N -1.694 117.800 119.300 0.323 0.000 3.288 180 C HA 0.961 5.131 4.460 -0.483 0.000 0.318 180 C C 0.434 175.631 174.990 0.345 0.000 1.356 180 C CA 0.272 59.431 59.018 0.234 0.000 1.359 180 C CB 1.122 28.928 27.740 0.110 0.000 1.688 180 C HN 2.019 nan 8.230 nan 0.000 0.467 181 T N 0.152 114.850 114.554 0.240 0.000 2.922 181 T HA 0.791 4.851 4.350 -0.483 0.000 0.285 181 T C -0.114 174.758 174.700 0.286 0.000 1.005 181 T CA 0.225 62.492 62.100 0.278 0.000 1.061 181 T CB 1.361 70.336 68.868 0.179 0.000 1.007 181 T HN 2.269 nan 8.240 nan 0.000 0.502 182 A N 1.764 124.823 122.820 0.399 0.000 2.572 182 A HA 0.708 4.738 4.320 -0.483 0.000 0.295 182 A C -1.331 176.541 177.584 0.480 0.000 1.072 182 A CA -0.992 51.309 52.037 0.441 0.000 0.691 182 A CB 1.647 20.980 19.000 0.556 0.000 1.291 182 A HN 1.030 nan 8.150 nan 0.000 0.404 183 L N 1.824 123.258 121.223 0.352 0.000 2.296 183 L HA 0.645 4.695 4.340 -0.483 0.000 0.286 183 L C -0.200 176.562 176.870 -0.180 0.000 1.023 183 L CA -0.397 54.516 54.840 0.121 0.000 0.812 183 L CB 1.126 43.239 42.059 0.090 0.000 1.223 183 L HN 0.852 nan 8.230 nan 0.000 0.421 184 C N 6.498 125.401 119.300 -0.663 0.000 2.540 184 C HA 0.280 4.451 4.460 -0.483 0.000 0.377 184 C C 1.863 176.458 174.990 -0.658 0.000 1.274 184 C CA -0.470 57.735 59.018 -1.355 0.000 1.718 184 C CB -1.486 25.302 27.740 -1.587 0.000 2.391 184 C HN 0.986 nan 8.230 nan 0.000 0.565 185 I N 3.465 123.694 120.570 -0.568 0.000 2.208 185 I HA -0.164 3.717 4.170 -0.483 0.000 0.245 185 I C 2.540 178.351 176.117 -0.511 0.000 1.097 185 I CA 1.757 62.727 61.300 -0.550 0.000 1.363 185 I CB -0.415 37.175 38.000 -0.682 0.000 1.051 185 I HN 0.829 nan 8.210 nan 0.000 0.413 186 E N 0.728 120.747 120.200 -0.302 0.000 2.051 186 E HA -0.258 3.802 4.350 -0.483 0.000 0.192 186 E C 2.004 178.589 176.600 -0.026 0.000 0.991 186 E CA 2.237 58.646 56.400 0.016 0.000 0.799 186 E CB 0.083 29.850 29.700 0.113 0.000 0.748 186 E HN 0.587 nan 8.360 nan 0.000 0.449 187 T N -4.568 109.917 114.554 -0.114 0.000 2.990 187 T HA 0.320 4.381 4.350 -0.483 0.000 0.250 187 T C 1.427 176.077 174.700 -0.083 0.000 1.041 187 T CA 0.607 62.670 62.100 -0.062 0.000 1.010 187 T CB 0.846 69.690 68.868 -0.039 0.000 1.003 187 T HN 0.340 nan 8.240 nan 0.000 0.499 188 G N 1.610 110.320 108.800 -0.151 0.000 2.179 188 G HA2 -0.279 3.392 3.960 -0.483 0.000 0.260 188 G HA3 -0.279 3.392 3.960 -0.483 0.000 0.260 188 G C -0.145 174.701 174.900 -0.090 0.000 0.977 188 G CA 0.298 45.324 45.100 -0.123 0.000 0.641 188 G HN 0.906 nan 8.290 nan 0.000 0.533 189 E N 0.257 120.397 120.200 -0.099 0.000 2.392 189 E HA 0.425 4.485 4.350 -0.483 0.000 0.264 189 E C 0.017 176.629 176.600 0.021 0.000 1.024 189 E CA -0.352 56.038 56.400 -0.015 0.000 0.903 189 E CB 0.769 30.493 29.700 0.040 0.000 0.963 189 E HN 0.167 nan 8.360 nan 0.000 0.432 190 V N 4.854 124.823 119.914 0.092 0.000 2.513 190 V HA 0.433 4.264 4.120 -0.483 0.000 0.299 190 V C -0.198 176.012 176.094 0.194 0.000 1.035 190 V CA -0.665 61.730 62.300 0.158 0.000 0.889 190 V CB 1.684 33.577 31.823 0.117 0.000 0.988 190 V HN 0.526 nan 8.190 nan 0.000 0.440 191 V N 3.569 123.641 119.914 0.263 0.000 3.078 191 V HA 0.438 4.268 4.120 -0.483 0.000 0.311 191 V C -1.544 174.642 176.094 0.154 0.000 1.138 191 V CA -0.844 61.538 62.300 0.135 0.000 1.007 191 V CB 2.534 34.371 31.823 0.024 0.000 1.045 191 V HN 0.755 nan 8.190 nan 0.000 0.432 192 Y N 3.299 123.544 120.300 -0.091 0.000 2.385 192 Y HA 0.586 4.846 4.550 -0.483 0.000 0.341 192 Y C -0.891 174.917 175.900 -0.152 0.000 0.965 192 Y CA -1.950 56.127 58.100 -0.039 0.000 1.180 192 Y CB 0.756 39.210 38.460 -0.009 0.000 1.139 192 Y HN 0.459 nan 8.280 nan 0.000 0.502 193 F N 6.423 126.320 119.950 -0.088 0.000 2.405 193 F HA 0.296 4.533 4.527 -0.483 0.000 0.358 193 F C 0.531 176.100 175.800 -0.384 0.000 1.151 193 F CA -0.245 57.609 58.000 -0.243 0.000 1.161 193 F CB 0.536 39.416 39.000 -0.200 0.000 1.245 193 F HN 0.378 nan 8.300 nan 0.000 0.545 194 K N 3.198 123.286 120.400 -0.520 0.000 2.172 194 K HA 0.813 4.843 4.320 -0.483 0.000 0.276 194 K C -0.967 175.587 176.600 -0.076 0.000 1.013 194 K CA -0.390 55.587 56.287 -0.516 0.000 0.913 194 K CB 0.941 33.018 32.500 -0.705 0.000 1.055 194 K HN 0.688 nan 8.250 nan 0.000 0.461 195 A N 3.755 126.592 122.820 0.027 0.000 2.594 195 A HA 0.356 4.386 4.320 -0.483 0.000 0.295 195 A C -0.221 177.410 177.584 0.079 0.000 1.071 195 A CA -0.811 51.269 52.037 0.071 0.000 0.685 195 A CB 1.578 20.627 19.000 0.081 0.000 1.285 195 A HN 0.922 nan 8.150 nan 0.000 0.405 196 R N 0.009 120.549 120.500 0.067 0.000 2.193 196 R HA 0.317 4.367 4.340 -0.483 0.000 0.213 196 R C 0.514 176.888 176.300 0.122 0.000 1.055 196 R CA 1.444 57.592 56.100 0.081 0.000 0.995 196 R CB 0.297 30.631 30.300 0.056 0.000 0.893 196 R HN 0.858 nan 8.270 nan 0.000 0.459 197 A N 0.179 123.045 122.820 0.078 0.000 2.414 197 A HA 0.409 4.439 4.320 -0.483 0.000 0.286 197 A C -0.977 176.634 177.584 0.045 0.000 1.073 197 A CA -0.602 51.477 52.037 0.069 0.000 0.727 197 A CB 1.448 20.246 19.000 -0.337 0.000 1.215 197 A HN -0.005 nan 8.150 nan 0.000 0.430 198 T N 2.398 117.056 114.554 0.174 0.000 2.770 198 T HA 0.468 4.528 4.350 -0.483 0.000 0.297 198 T C -0.282 174.502 174.700 0.140 0.000 0.997 198 T CA -0.227 61.934 62.100 0.101 0.000 0.949 198 T CB 0.859 69.788 68.868 0.102 0.000 0.941 198 T HN 0.458 nan 8.240 nan 0.000 0.457 199 V N 5.722 125.659 119.914 0.037 0.000 2.311 199 V HA 0.313 4.143 4.120 -0.483 0.000 0.275 199 V C 0.275 176.377 176.094 0.014 0.000 1.022 199 V CA -0.832 61.500 62.300 0.053 0.000 0.830 199 V CB 0.592 32.394 31.823 -0.035 0.000 1.012 199 V HN 0.786 nan 8.190 nan 0.000 0.452 200 L N 4.356 125.599 121.223 0.034 0.000 2.410 200 L HA 0.499 4.549 4.340 -0.483 0.000 0.273 200 L C 0.799 177.666 176.870 -0.005 0.000 1.144 200 L CA 0.292 55.129 54.840 -0.004 0.000 0.863 200 L CB 0.902 42.958 42.059 -0.005 0.000 1.140 200 L HN 0.781 nan 8.230 nan 0.000 0.463 201 A N 1.054 123.859 122.820 -0.024 0.000 2.897 201 A HA 0.200 4.230 4.320 -0.483 0.000 0.230 201 A C 0.848 178.418 177.584 -0.023 0.000 0.896 201 A CA -0.049 51.980 52.037 -0.014 0.000 1.114 201 A CB -0.111 18.881 19.000 -0.014 0.000 1.230 201 A HN 0.726 nan 8.150 nan 0.000 0.481 202 T N -3.113 111.421 114.554 -0.032 0.000 3.129 202 T HA 0.448 4.508 4.350 -0.483 0.000 0.251 202 T C 1.302 175.988 174.700 -0.023 0.000 1.117 202 T CA 1.064 63.142 62.100 -0.037 0.000 1.034 202 T CB -0.180 68.656 68.868 -0.052 0.000 0.968 202 T HN 2.081 nan 8.240 nan 0.000 0.526 203 G N 0.308 109.095 108.800 -0.022 0.000 2.642 203 G HA2 0.176 3.846 3.960 -0.483 0.000 0.231 203 G HA3 0.176 3.846 3.960 -0.483 0.000 0.231 203 G C 0.195 175.053 174.900 -0.071 0.000 1.338 203 G CA -0.454 44.630 45.100 -0.026 0.000 0.883 203 G HN 0.907 nan 8.290 nan 0.000 0.570 204 G N -1.997 106.750 108.800 -0.088 0.000 2.574 204 G HA2 0.743 4.413 3.960 -0.483 0.000 0.248 204 G HA3 0.743 4.413 3.960 -0.483 0.000 0.248 204 G C 0.559 175.450 174.900 -0.013 0.000 1.422 204 G CA 0.999 46.023 45.100 -0.128 0.000 1.051 204 G HN 2.239 nan 8.290 nan 0.000 0.560 205 A N -1.564 121.330 122.820 0.123 0.000 2.639 205 A HA 0.518 4.548 4.320 -0.483 0.000 0.221 205 A C 1.474 179.165 177.584 0.179 0.000 0.879 205 A CA 0.925 53.084 52.037 0.203 0.000 1.189 205 A CB -0.065 19.110 19.000 0.292 0.000 1.231 205 A HN 1.298 nan 8.150 nan 0.000 0.457 206 G N 0.223 109.086 108.800 0.104 0.000 2.501 206 G HA2 -0.171 3.499 3.960 -0.483 0.000 0.220 206 G HA3 -0.171 3.499 3.960 -0.483 0.000 0.220 206 G C 1.276 176.151 174.900 -0.042 0.000 1.114 206 G CA 0.540 45.642 45.100 0.002 0.000 0.757 206 G HN 0.377 nan 8.290 nan 0.000 0.559 207 R N 0.456 120.925 120.500 -0.050 0.000 2.323 207 R HA 0.083 4.133 4.340 -0.483 0.000 0.198 207 R C 2.365 178.616 176.300 -0.080 0.000 0.988 207 R CA 0.325 56.392 56.100 -0.055 0.000 1.041 207 R CB -0.432 29.844 30.300 -0.040 0.000 0.926 207 R HN 0.749 nan 8.270 nan 0.000 0.476 208 I N -2.912 117.564 120.570 -0.156 0.000 2.756 208 I HA -0.090 3.790 4.170 -0.483 0.000 0.262 208 I C 0.141 176.005 176.117 -0.423 0.000 1.225 208 I CA 0.770 61.894 61.300 -0.294 0.000 1.472 208 I CB -0.231 37.523 38.000 -0.410 0.000 1.094 208 I HN -0.193 nan 8.210 nan 0.000 0.454 209 Y N 0.901 121.073 120.300 -0.212 0.000 2.458 209 Y HA 0.274 4.537 4.550 -0.479 0.000 0.322 209 Y C 1.601 177.464 175.900 -0.063 0.000 1.259 209 Y CA -0.376 57.646 58.100 -0.130 0.000 1.302 209 Y CB 0.784 39.161 38.460 -0.139 0.000 1.314 209 Y HN -0.132 nan 8.280 nan 0.000 0.509 210 Q N 0.118 120.021 119.800 0.170 0.000 2.172 210 Q HA -0.011 4.039 4.340 -0.483 0.000 0.200 210 Q C -0.134 175.925 176.000 0.098 0.000 0.964 210 Q CA 0.763 56.630 55.803 0.107 0.000 0.855 210 Q CB 0.325 29.137 28.738 0.123 0.000 0.918 210 Q HN 0.477 nan 8.270 nan 0.000 0.444 211 S N -0.487 115.288 115.700 0.124 0.000 2.614 211 S HA 0.481 4.661 4.470 -0.483 0.000 0.288 211 S C -1.184 173.442 174.600 0.043 0.000 1.137 211 S CA -0.523 57.721 58.200 0.073 0.000 0.992 211 S CB 1.831 65.085 63.200 0.090 0.000 1.026 211 S HN 0.185 nan 8.310 nan 0.000 0.486 212 T N 1.263 115.813 114.554 -0.007 0.000 2.894 212 T HA 0.455 4.515 4.350 -0.483 0.000 0.309 212 T C 1.152 175.831 174.700 -0.035 0.000 1.208 212 T CA 0.099 62.179 62.100 -0.033 0.000 1.016 212 T CB 1.379 70.215 68.868 -0.054 0.000 1.192 212 T HN 0.701 nan 8.240 nan 0.000 0.491 213 T N 0.650 115.214 114.554 0.016 0.000 3.085 213 T HA 0.166 4.226 4.350 -0.483 0.000 0.263 213 T C 0.655 175.376 174.700 0.036 0.000 1.127 213 T CA 0.257 62.389 62.100 0.054 0.000 1.103 213 T CB -0.593 68.397 68.868 0.202 0.000 0.921 213 T HN 0.583 nan 8.240 nan 0.000 0.510 214 N N 1.505 120.141 118.700 -0.107 0.000 2.525 214 N HA 0.494 4.944 4.740 -0.483 0.000 0.271 214 N C 0.219 175.558 175.510 -0.285 0.000 1.194 214 N CA -0.491 52.319 53.050 -0.401 0.000 0.964 214 N CB 0.799 39.053 38.487 -0.389 0.000 1.126 214 N HN 0.424 nan 8.380 nan 0.000 0.452 215 A N 1.297 123.957 122.820 -0.266 0.000 2.521 215 A HA -0.092 3.938 4.320 -0.483 0.000 0.237 215 A C 1.099 178.622 177.584 -0.101 0.000 1.087 215 A CA 0.122 52.130 52.037 -0.048 0.000 0.777 215 A CB 0.030 19.110 19.000 0.132 0.000 1.035 215 A HN 0.803 nan 8.150 nan 0.000 0.510 216 H N 0.857 119.932 119.070 0.008 0.000 2.457 216 H HA -0.162 4.104 4.556 -0.482 0.000 0.297 216 H C 1.725 177.057 175.328 0.007 0.000 1.092 216 H CA 2.163 58.214 56.048 0.006 0.000 1.309 216 H CB -0.148 29.626 29.762 0.019 0.000 1.382 216 H HN 0.751 nan 8.280 nan 0.000 0.535 217 I N -1.234 119.412 120.570 0.127 0.000 3.564 217 I HA 0.025 3.905 4.170 -0.483 0.000 0.294 217 I C -0.174 175.972 176.117 0.049 0.000 1.289 217 I CA 0.230 61.587 61.300 0.095 0.000 1.325 217 I CB -0.142 37.920 38.000 0.104 0.000 1.039 217 I HN -0.175 nan 8.210 nan 0.000 0.474 218 N N 2.634 121.332 118.700 -0.004 0.000 2.739 218 N HA 0.091 4.541 4.740 -0.483 0.000 0.266 218 N C 0.776 176.286 175.510 -0.000 0.000 1.168 218 N CA 0.428 53.457 53.050 -0.035 0.000 1.055 218 N CB 0.380 38.783 38.487 -0.140 0.000 1.393 218 N HN 0.419 nan 8.380 nan 0.000 0.514 219 T N -2.860 111.711 114.554 0.029 0.000 3.132 219 T HA 0.266 4.326 4.350 -0.483 0.000 0.274 219 T C 1.187 175.916 174.700 0.049 0.000 1.011 219 T CA -0.070 62.055 62.100 0.042 0.000 0.899 219 T CB 0.091 68.996 68.868 0.062 0.000 1.089 219 T HN 0.343 nan 8.240 nan 0.000 0.543 220 G N 2.174 111.000 108.800 0.043 0.000 2.198 220 G HA2 -0.279 3.392 3.960 -0.483 0.000 0.260 220 G HA3 -0.279 3.392 3.960 -0.483 0.000 0.260 220 G C 0.443 175.361 174.900 0.029 0.000 1.025 220 G CA 0.330 45.454 45.100 0.040 0.000 0.769 220 G HN 0.498 nan 8.290 nan 0.000 0.507 221 D N 0.144 120.558 120.400 0.023 0.000 2.158 221 D HA -0.102 4.249 4.640 -0.483 0.000 0.197 221 D C 2.433 178.725 176.300 -0.014 0.000 0.995 221 D CA 1.857 55.862 54.000 0.008 0.000 0.846 221 D CB -0.692 40.083 40.800 -0.042 0.000 0.941 221 D HN 0.602 nan 8.370 nan 0.000 0.456 222 G N 0.310 109.095 108.800 -0.025 0.000 2.422 222 G HA2 -0.159 3.512 3.960 -0.483 0.000 0.218 222 G HA3 -0.159 3.512 3.960 -0.483 0.000 0.218 222 G C 1.833 176.727 174.900 -0.010 0.000 1.140 222 G CA 0.621 45.705 45.100 -0.026 0.000 0.775 222 G HN 0.257 nan 8.290 nan 0.000 0.545 223 V N 1.474 121.387 119.914 -0.002 0.000 2.307 223 V HA -0.043 3.787 4.120 -0.483 0.000 0.245 223 V C 3.111 179.225 176.094 0.034 0.000 1.045 223 V CA 1.987 64.294 62.300 0.012 0.000 1.024 223 V CB -1.009 30.823 31.823 0.015 0.000 0.651 223 V HN 0.413 nan 8.190 nan 0.000 0.449 224 G N -0.891 107.932 108.800 0.039 0.000 2.402 224 G HA2 -0.233 3.437 3.960 -0.483 0.000 0.216 224 G HA3 -0.233 3.437 3.960 -0.483 0.000 0.216 224 G C 1.645 176.574 174.900 0.047 0.000 1.162 224 G CA 0.926 46.059 45.100 0.054 0.000 0.777 224 G HN 0.399 nan 8.290 nan 0.000 0.539 225 M N 0.695 120.313 119.600 0.030 0.000 2.117 225 M HA 0.011 4.201 4.480 -0.483 0.000 0.262 225 M C 3.064 179.376 176.300 0.021 0.000 1.065 225 M CA 1.349 56.662 55.300 0.022 0.000 1.114 225 M CB -0.215 32.385 32.600 -0.000 0.000 1.361 225 M HN 0.323 nan 8.290 nan 0.000 0.408 226 A N 0.736 123.567 122.820 0.017 0.000 1.865 226 A HA -0.179 3.852 4.320 -0.483 0.000 0.217 226 A C 2.054 179.654 177.584 0.028 0.000 1.191 226 A CA 1.656 53.701 52.037 0.014 0.000 0.623 226 A CB -1.001 18.004 19.000 0.009 0.000 0.826 226 A HN 0.448 nan 8.150 nan 0.000 0.444 227 I N -0.988 119.615 120.570 0.055 0.000 2.208 227 I HA -0.282 3.599 4.170 -0.483 0.000 0.245 227 I C 2.766 178.913 176.117 0.051 0.000 1.097 227 I CA 1.511 62.861 61.300 0.083 0.000 1.363 227 I CB -0.279 37.810 38.000 0.149 0.000 1.051 227 I HN 0.296 nan 8.210 nan 0.000 0.413 228 R N 0.373 120.898 120.500 0.043 0.000 2.189 228 R HA -0.018 4.032 4.340 -0.483 0.000 0.218 228 R C 2.035 178.343 176.300 0.013 0.000 1.074 228 R CA 1.068 57.185 56.100 0.028 0.000 0.991 228 R CB -0.202 30.119 30.300 0.034 0.000 0.883 228 R HN 0.320 nan 8.270 nan 0.000 0.457 229 A N -0.044 122.782 122.820 0.011 0.000 2.238 229 A HA 0.216 4.247 4.320 -0.483 0.000 0.208 229 A C 1.346 178.924 177.584 -0.011 0.000 1.177 229 A CA 0.722 52.759 52.037 -0.000 0.000 0.804 229 A CB -0.014 18.987 19.000 0.002 0.000 0.823 229 A HN 0.417 nan 8.150 nan 0.000 0.482 230 G N -1.548 107.245 108.800 -0.012 0.000 2.143 230 G HA2 -0.199 3.471 3.960 -0.483 0.000 0.249 230 G HA3 -0.199 3.471 3.960 -0.483 0.000 0.249 230 G C 0.143 175.021 174.900 -0.037 0.000 0.981 230 G CA 0.165 45.247 45.100 -0.030 0.000 0.665 230 G HN 0.764 nan 8.290 nan 0.000 0.528 231 V N 2.956 122.855 119.914 -0.024 0.000 2.498 231 V HA 0.472 4.302 4.120 -0.483 0.000 0.279 231 V C -0.987 175.096 176.094 -0.018 0.000 1.048 231 V CA -1.238 61.044 62.300 -0.030 0.000 0.967 231 V CB 1.482 33.288 31.823 -0.028 0.000 0.988 231 V HN 0.230 nan 8.190 nan 0.000 0.473 232 P HA 0.365 nan 4.420 nan 0.000 0.276 232 P C -0.885 176.428 177.300 0.022 0.000 1.261 232 P CA -0.153 62.940 63.100 -0.013 0.000 0.800 232 P CB 1.265 32.939 31.700 -0.043 0.000 1.066 233 V N -2.616 117.346 119.914 0.081 0.000 2.914 233 V HA 0.668 4.498 4.120 -0.483 0.000 0.314 233 V C -0.650 175.473 176.094 0.048 0.000 1.084 233 V CA -0.983 61.346 62.300 0.049 0.000 0.963 233 V CB 1.563 33.421 31.823 0.058 0.000 1.025 233 V HN 0.642 nan 8.190 nan 0.000 0.432 234 Q N 0.702 120.499 119.800 -0.005 0.000 2.377 234 Q HA 0.435 4.485 4.340 -0.483 0.000 0.271 234 Q C -0.716 175.285 176.000 0.002 0.000 1.077 234 Q CA -0.353 55.453 55.803 0.004 0.000 0.820 234 Q CB 1.814 30.515 28.738 -0.061 0.000 1.347 234 Q HN 0.932 nan 8.270 nan 0.000 0.444 235 D N 2.794 123.230 120.400 0.059 0.000 2.811 235 D HA -0.193 4.157 4.640 -0.483 0.000 0.231 235 D C 0.605 176.884 176.300 -0.036 0.000 1.157 235 D CA 0.741 54.770 54.000 0.048 0.000 0.716 235 D CB -0.241 40.613 40.800 0.091 0.000 1.077 235 D HN 0.648 nan 8.370 nan 0.000 0.428 236 M N -0.292 119.286 119.600 -0.037 0.000 2.460 236 M HA -0.119 4.071 4.480 -0.483 0.000 0.263 236 M C 2.080 178.386 176.300 0.010 0.000 1.071 236 M CA 1.162 56.417 55.300 -0.075 0.000 1.096 236 M CB -0.453 32.118 32.600 -0.047 0.000 1.408 236 M HN 0.284 nan 8.290 nan 0.000 0.463 237 E N -0.434 119.789 120.200 0.037 0.000 2.427 237 E HA -0.090 3.970 4.350 -0.483 0.000 0.196 237 E C 0.186 176.913 176.600 0.212 0.000 1.028 237 E CA 0.461 56.945 56.400 0.140 0.000 0.864 237 E CB -0.153 29.509 29.700 -0.063 0.000 0.813 237 E HN 0.306 nan 8.360 nan 0.000 0.514 238 M N 1.264 120.890 119.600 0.043 0.000 2.664 238 M HA 0.222 4.412 4.480 -0.483 0.000 0.332 238 M C -1.355 174.915 176.300 -0.050 0.000 1.354 238 M CA 0.006 55.342 55.300 0.060 0.000 1.399 238 M CB -0.947 31.670 32.600 0.027 0.000 1.224 238 M HN 0.061 nan 8.290 nan 0.000 0.479 239 W N 1.981 123.363 121.300 0.136 0.000 2.417 239 W HA 0.413 4.781 4.660 -0.486 0.000 0.315 239 W C 0.419 176.952 176.519 0.023 0.000 1.045 239 W CA -0.468 56.901 57.345 0.040 0.000 1.221 239 W CB 1.125 30.604 29.460 0.031 0.000 1.309 239 W HN 0.477 nan 8.180 nan 0.000 0.453 240 Q N 3.298 123.227 119.800 0.215 0.000 2.288 240 Q HA 0.299 4.349 4.340 -0.483 0.000 0.258 240 Q C -1.219 174.799 176.000 0.031 0.000 0.957 240 Q CA -0.249 55.673 55.803 0.198 0.000 0.919 240 Q CB 0.530 29.410 28.738 0.238 0.000 1.185 240 Q HN 0.409 nan 8.270 nan 0.000 0.408 241 F N 3.747 123.766 119.950 0.114 0.000 2.371 241 F HA 0.172 4.412 4.527 -0.477 0.000 0.363 241 F C 0.651 176.487 175.800 0.060 0.000 1.122 241 F CA -0.693 57.344 58.000 0.061 0.000 1.129 241 F CB 0.623 39.596 39.000 -0.045 0.000 1.173 241 F HN 0.569 nan 8.300 nan 0.000 0.489 242 H N 5.809 124.925 119.070 0.078 0.000 3.034 242 H HA 0.018 4.284 4.556 -0.483 0.000 0.324 242 H C -1.687 173.626 175.328 -0.026 0.000 1.015 242 H CA -1.084 54.917 56.048 -0.079 0.000 1.429 242 H CB 1.521 31.062 29.762 -0.368 0.000 1.429 242 H HN 0.351 nan 8.280 nan 0.000 0.585 243 P HA -0.110 nan 4.420 nan 0.000 0.216 243 P C 0.349 177.723 177.300 0.123 0.000 1.150 243 P CA 1.808 64.903 63.100 -0.009 0.000 0.843 243 P CB 0.182 31.806 31.700 -0.127 0.000 0.787 244 T N -3.494 111.250 114.554 0.317 0.000 3.401 244 T HA 0.616 4.676 4.350 -0.483 0.000 0.341 244 T C 0.340 175.061 174.700 0.034 0.000 1.674 244 T CA -0.858 61.334 62.100 0.152 0.000 1.600 244 T CB 0.086 69.013 68.868 0.097 0.000 0.974 244 T HN -0.007 nan 8.240 nan 0.000 0.672 245 G N 1.617 110.427 108.800 0.017 0.000 2.476 245 G HA2 0.611 4.281 3.960 -0.483 0.000 0.286 245 G HA3 0.611 4.281 3.960 -0.483 0.000 0.286 245 G C -0.088 174.800 174.900 -0.019 0.000 1.177 245 G CA -1.100 43.976 45.100 -0.040 0.000 0.870 245 G HN 0.766 nan 8.290 nan 0.000 0.528 246 I N 1.520 122.070 120.570 -0.033 0.000 2.533 246 I HA 0.183 4.063 4.170 -0.483 0.000 0.284 246 I C 1.254 177.377 176.117 0.010 0.000 1.109 246 I CA -0.152 61.133 61.300 -0.026 0.000 1.412 246 I CB 1.021 39.027 38.000 0.010 0.000 1.396 246 I HN 0.514 nan 8.210 nan 0.000 0.543 247 A N 5.134 127.948 122.820 -0.009 0.000 2.520 247 A HA 0.416 4.446 4.320 -0.483 0.000 0.245 247 A C 1.287 178.967 177.584 0.159 0.000 1.072 247 A CA 0.579 52.659 52.037 0.071 0.000 0.761 247 A CB -0.269 18.767 19.000 0.061 0.000 1.004 247 A HN 1.223 nan 8.150 nan 0.000 0.499 248 G N 0.708 109.602 108.800 0.156 0.000 2.195 248 G HA2 0.037 3.707 3.960 -0.483 0.000 0.246 248 G HA3 0.037 3.707 3.960 -0.483 0.000 0.246 248 G C 0.806 175.783 174.900 0.130 0.000 0.984 248 G CA 1.094 46.291 45.100 0.162 0.000 0.633 248 G HN 2.087 nan 8.290 nan 0.000 0.525 249 A N -1.695 121.183 122.820 0.097 0.000 2.027 249 A HA 0.663 4.694 4.320 -0.483 0.000 0.196 249 A C 2.611 180.169 177.584 -0.044 0.000 1.573 249 A CA 1.908 53.971 52.037 0.043 0.000 1.097 249 A CB -0.159 18.879 19.000 0.063 0.000 1.196 249 A HN 2.293 nan 8.150 nan 0.000 0.462 250 G N -0.791 107.993 108.800 -0.026 0.000 2.284 250 G HA2 -0.219 3.451 3.960 -0.483 0.000 0.247 250 G HA3 -0.219 3.451 3.960 -0.483 0.000 0.247 250 G C 0.387 175.235 174.900 -0.087 0.000 1.012 250 G CA 0.188 45.264 45.100 -0.040 0.000 0.618 250 G HN 1.062 nan 8.290 nan 0.000 0.521 251 V N 2.375 122.189 119.914 -0.166 0.000 2.599 251 V HA 0.346 4.176 4.120 -0.483 0.000 0.300 251 V C 1.171 177.189 176.094 -0.126 0.000 1.034 251 V CA 0.218 62.392 62.300 -0.209 0.000 1.115 251 V CB 1.217 32.775 31.823 -0.441 0.000 0.934 251 V HN 0.575 nan 8.190 nan 0.000 0.485 252 L N 7.680 128.835 121.223 -0.114 0.000 2.453 252 L HA 0.353 4.403 4.340 -0.483 0.000 0.272 252 L C 0.039 176.828 176.870 -0.134 0.000 1.182 252 L CA 0.535 55.270 54.840 -0.176 0.000 0.858 252 L CB 1.085 43.029 42.059 -0.192 0.000 1.120 252 L HN 0.601 nan 8.230 nan 0.000 0.474 253 V N 2.090 121.914 119.914 -0.151 0.000 2.448 253 V HA 0.469 4.299 4.120 -0.483 0.000 0.295 253 V C 0.283 176.318 176.094 -0.098 0.000 1.025 253 V CA -0.457 61.791 62.300 -0.087 0.000 0.859 253 V CB 0.998 32.794 31.823 -0.045 0.000 0.988 253 V HN 0.901 nan 8.190 nan 0.000 0.431 254 T N 2.076 116.608 114.554 -0.038 0.000 2.937 254 T HA 0.019 4.079 4.350 -0.483 0.000 0.316 254 T C 1.072 175.781 174.700 0.015 0.000 1.079 254 T CA 1.107 63.225 62.100 0.030 0.000 1.131 254 T CB 0.581 69.526 68.868 0.129 0.000 1.000 254 T HN 1.104 nan 8.240 nan 0.000 0.549 255 E N 2.431 122.616 120.200 -0.024 0.000 2.267 255 E HA -0.107 3.953 4.350 -0.483 0.000 0.197 255 E C 2.093 178.375 176.600 -0.529 0.000 0.998 255 E CA 1.250 57.408 56.400 -0.403 0.000 0.830 255 E CB -0.765 28.437 29.700 -0.830 0.000 0.751 255 E HN 0.942 nan 8.360 nan 0.000 0.491 256 G N 0.537 109.208 108.800 -0.215 0.000 2.503 256 G HA2 -0.365 3.305 3.960 -0.483 0.000 0.221 256 G HA3 -0.365 3.305 3.960 -0.483 0.000 0.221 256 G C 1.627 176.538 174.900 0.018 0.000 1.131 256 G CA 1.092 46.252 45.100 0.100 0.000 0.756 256 G HN 0.425 nan 8.290 nan 0.000 0.572 257 C N -0.145 119.141 119.300 -0.024 0.000 2.413 257 C HA 0.010 4.180 4.460 -0.483 0.000 0.276 257 C C 2.999 177.962 174.990 -0.045 0.000 1.248 257 C CA 1.007 60.005 59.018 -0.033 0.000 1.742 257 C CB -0.841 26.873 27.740 -0.043 0.000 2.017 257 C HN 0.464 nan 8.230 nan 0.000 0.481 258 R N 0.582 121.033 120.500 -0.082 0.000 2.119 258 R HA 0.063 4.113 4.340 -0.483 0.000 0.222 258 R C 2.451 178.724 176.300 -0.046 0.000 1.088 258 R CA 1.183 57.246 56.100 -0.062 0.000 0.984 258 R CB -0.671 29.566 30.300 -0.105 0.000 0.884 258 R HN 0.581 nan 8.270 nan 0.000 0.447 259 G N 0.981 109.730 108.800 -0.085 0.000 2.450 259 G HA2 -0.227 3.443 3.960 -0.483 0.000 0.220 259 G HA3 -0.227 3.443 3.960 -0.483 0.000 0.220 259 G C 1.106 176.050 174.900 0.073 0.000 1.130 259 G CA 0.545 45.651 45.100 0.009 0.000 0.760 259 G HN 0.200 nan 8.290 nan 0.000 0.557 260 E N 0.106 120.348 120.200 0.070 0.000 2.502 260 E HA 0.169 4.229 4.350 -0.483 0.000 0.194 260 E C 1.777 178.412 176.600 0.058 0.000 1.062 260 E CA 0.652 57.101 56.400 0.081 0.000 0.867 260 E CB 0.310 30.050 29.700 0.067 0.000 0.888 260 E HN 0.499 nan 8.360 nan 0.000 0.510 261 G N 0.523 109.366 108.800 0.073 0.000 2.227 261 G HA2 -0.167 3.503 3.960 -0.483 0.000 0.168 261 G HA3 -0.167 3.503 3.960 -0.483 0.000 0.168 261 G C 0.654 175.707 174.900 0.254 0.000 1.006 261 G CA -0.264 44.925 45.100 0.149 0.000 0.684 261 G HN 0.462 nan 8.290 nan 0.000 0.489 262 G N -0.132 108.726 108.800 0.096 0.000 2.606 262 G HA2 0.721 4.391 3.960 -0.483 0.000 0.252 262 G HA3 0.721 4.391 3.960 -0.483 0.000 0.252 262 G C -0.319 174.647 174.900 0.109 0.000 1.206 262 G CA 0.287 45.410 45.100 0.037 0.000 0.861 262 G HN 1.525 nan 8.290 nan 0.000 0.561 263 Y N -2.295 118.027 120.300 0.037 0.000 2.656 263 Y HA 0.620 4.875 4.550 -0.493 0.000 0.334 263 Y C -1.135 174.707 175.900 -0.097 0.000 1.179 263 Y CA -1.696 56.366 58.100 -0.062 0.000 1.050 263 Y CB 0.936 39.344 38.460 -0.088 0.000 1.308 263 Y HN 0.442 nan 8.280 nan 0.000 0.456 264 L N 3.164 124.410 121.223 0.039 0.000 2.292 264 L HA 0.581 4.631 4.340 -0.483 0.000 0.284 264 L C -0.593 176.215 176.870 -0.103 0.000 1.065 264 L CA -0.528 54.247 54.840 -0.108 0.000 0.806 264 L CB 1.141 43.008 42.059 -0.321 0.000 1.175 264 L HN 0.562 nan 8.230 nan 0.000 0.431 265 L N 2.934 124.220 121.223 0.104 0.000 2.333 265 L HA 0.521 4.571 4.340 -0.483 0.000 0.269 265 L C -0.226 176.888 176.870 0.408 0.000 1.010 265 L CA -0.885 54.087 54.840 0.221 0.000 0.818 265 L CB 1.972 44.137 42.059 0.176 0.000 1.306 265 L HN 0.668 nan 8.230 nan 0.000 0.430 266 N N 0.704 119.655 118.700 0.418 0.000 2.604 266 N HA 0.168 4.618 4.740 -0.483 0.000 0.297 266 N C 0.397 175.934 175.510 0.045 0.000 1.266 266 N CA -0.861 52.301 53.050 0.186 0.000 0.961 266 N CB 0.447 38.964 38.487 0.050 0.000 1.166 266 N HN 0.583 nan 8.380 nan 0.000 0.601 267 K N -1.213 119.119 120.400 -0.112 0.000 2.281 267 K HA -0.174 3.856 4.320 -0.483 0.000 0.203 267 K C 0.167 176.781 176.600 0.024 0.000 1.046 267 K CA 1.344 57.567 56.287 -0.107 0.000 0.938 267 K CB -0.385 31.991 32.500 -0.206 0.000 0.737 267 K HN 0.481 nan 8.250 nan 0.000 0.458 268 H N -0.286 118.817 119.070 0.056 0.000 2.551 268 H HA 0.192 4.468 4.556 -0.466 0.000 0.271 268 H C 1.171 176.539 175.328 0.066 0.000 0.984 268 H CA 0.408 56.487 56.048 0.052 0.000 1.164 268 H CB 0.877 30.664 29.762 0.042 0.000 1.437 268 H HN 0.567 nan 8.280 nan 0.000 0.550 269 G N 1.003 109.917 108.800 0.190 0.000 2.136 269 G HA2 -0.274 3.396 3.960 -0.483 0.000 0.242 269 G HA3 -0.274 3.396 3.960 -0.483 0.000 0.242 269 G C 0.153 175.142 174.900 0.149 0.000 0.989 269 G CA 0.217 45.409 45.100 0.153 0.000 0.682 269 G HN 0.468 nan 8.290 nan 0.000 0.522 270 E N 0.235 120.549 120.200 0.189 0.000 2.259 270 E HA 0.305 4.365 4.350 -0.483 0.000 0.281 270 E C 0.720 177.428 176.600 0.180 0.000 1.037 270 E CA -0.763 55.742 56.400 0.174 0.000 0.854 270 E CB 0.330 30.155 29.700 0.210 0.000 1.051 270 E HN 0.325 nan 8.360 nan 0.000 0.409 271 R N 5.465 125.984 120.500 0.031 0.000 2.893 271 R HA 0.035 4.085 4.340 -0.483 0.000 0.243 271 R C 0.617 176.853 176.300 -0.107 0.000 1.481 271 R CA -0.122 55.906 56.100 -0.119 0.000 1.250 271 R CB -0.432 29.698 30.300 -0.283 0.000 1.213 271 R HN 0.517 nan 8.270 nan 0.000 0.609 272 F N 1.288 121.289 119.950 0.084 0.000 2.451 272 F HA -0.062 4.626 4.527 0.268 0.000 0.299 272 F C 1.322 177.240 175.800 0.198 0.000 1.101 272 F CA 0.091 58.164 58.000 0.122 0.000 1.436 272 F CB -0.232 38.904 39.000 0.225 0.000 1.074 272 F HN 0.263 nan 8.300 nan 0.000 0.553 273 M N 1.231 120.765 119.600 -0.111 0.000 2.279 273 M HA -0.145 4.045 4.480 -0.483 0.000 0.264 273 M C 1.913 178.253 176.300 0.067 0.000 1.062 273 M CA 1.090 56.423 55.300 0.054 0.000 1.099 273 M CB -1.298 31.231 32.600 -0.119 0.000 1.394 273 M HN 0.394 nan 8.290 nan 0.000 0.426 274 E N -0.659 119.534 120.200 -0.012 0.000 2.204 274 E HA -0.210 3.850 4.350 -0.483 0.000 0.195 274 E C 2.160 178.761 176.600 0.001 0.000 0.990 274 E CA 0.880 57.269 56.400 -0.019 0.000 0.821 274 E CB -0.110 29.553 29.700 -0.062 0.000 0.750 274 E HN 0.484 nan 8.360 nan 0.000 0.477 275 R N -0.220 120.279 120.500 -0.002 0.000 2.090 275 R HA -0.069 3.981 4.340 -0.483 0.000 0.219 275 R C 1.693 177.940 176.300 -0.089 0.000 1.100 275 R CA 0.816 56.859 56.100 -0.094 0.000 0.991 275 R CB 0.014 30.186 30.300 -0.213 0.000 0.893 275 R HN 0.125 nan 8.270 nan 0.000 0.443 276 Y N -0.339 120.030 120.300 0.115 0.000 2.337 276 Y HA 0.215 4.321 4.550 -0.740 0.000 0.293 276 Y C 0.760 176.723 175.900 0.105 0.000 1.123 276 Y CA 0.816 58.989 58.100 0.122 0.000 1.201 276 Y CB 0.394 38.955 38.460 0.169 0.000 1.011 276 Y HN 0.124 nan 8.280 nan 0.000 0.545 277 A N -0.408 122.553 122.820 0.236 0.000 3.030 277 A HA 0.430 4.460 4.320 -0.483 0.000 0.335 277 A C -2.153 175.495 177.584 0.108 0.000 1.089 277 A CA -1.205 50.938 52.037 0.178 0.000 0.807 277 A CB 0.255 19.362 19.000 0.178 0.000 1.099 277 A HN -0.013 nan 8.150 nan 0.000 0.474 278 P HA -0.169 nan 4.420 nan 0.000 0.216 278 P C 1.178 178.498 177.300 0.033 0.000 1.150 278 P CA 1.399 64.522 63.100 0.038 0.000 0.843 278 P CB 0.314 32.030 31.700 0.027 0.000 0.787 279 N N -0.608 118.125 118.700 0.054 0.000 2.132 279 N HA -0.037 4.413 4.740 -0.483 0.000 0.187 279 N C 1.675 177.218 175.510 0.056 0.000 1.038 279 N CA 1.637 54.717 53.050 0.049 0.000 0.846 279 N CB -0.959 37.562 38.487 0.057 0.000 1.012 279 N HN 0.054 nan 8.380 nan 0.000 0.429 280 A N 0.484 123.364 122.820 0.099 0.000 2.147 280 A HA 0.094 4.125 4.320 -0.483 0.000 0.211 280 A C 0.859 178.455 177.584 0.020 0.000 1.160 280 A CA 0.264 52.347 52.037 0.077 0.000 0.781 280 A CB 0.024 19.111 19.000 0.144 0.000 0.842 280 A HN 0.275 nan 8.150 nan 0.000 0.475 281 K N -1.207 119.208 120.400 0.025 0.000 1.779 281 K HA -0.283 3.747 4.320 -0.483 0.000 0.128 281 K C 0.267 176.842 176.600 -0.042 0.000 1.288 281 K CA 1.871 58.151 56.287 -0.011 0.000 0.398 281 K CB -1.339 31.136 32.500 -0.041 0.000 0.609 281 K HN 0.352 nan 8.250 nan 0.000 0.874 282 D N 0.955 121.315 120.400 -0.067 0.000 2.378 282 D HA 0.021 4.371 4.640 -0.483 0.000 0.227 282 D C 0.789 177.021 176.300 -0.114 0.000 1.012 282 D CA 0.799 54.746 54.000 -0.089 0.000 0.905 282 D CB -0.020 40.745 40.800 -0.059 0.000 0.895 282 D HN 0.196 nan 8.370 nan 0.000 0.532 283 L N 0.178 121.339 121.223 -0.104 0.000 2.928 283 L HA 0.411 4.461 4.340 -0.483 0.000 0.246 283 L C 0.717 177.472 176.870 -0.191 0.000 1.239 283 L CA -0.640 54.118 54.840 -0.136 0.000 1.035 283 L CB 0.071 42.085 42.059 -0.075 0.000 1.360 283 L HN -0.038 nan 8.230 nan 0.000 0.529 284 A N 0.057 122.732 122.820 -0.243 0.000 2.310 284 A HA 0.557 4.587 4.320 -0.483 0.000 0.260 284 A C 0.930 178.086 177.584 -0.713 0.000 1.112 284 A CA 0.240 51.970 52.037 -0.511 0.000 0.804 284 A CB 0.011 18.853 19.000 -0.263 0.000 1.081 284 A HN 0.298 nan 8.150 nan 0.000 0.499 285 G N -0.953 107.047 108.800 -1.334 0.000 2.559 285 G HA2 0.250 3.921 3.960 -0.483 0.000 0.235 285 G HA3 0.250 3.921 3.960 -0.483 0.000 0.235 285 G C 0.734 175.438 174.900 -0.327 0.000 1.266 285 G CA -0.172 44.523 45.100 -0.675 0.000 0.847 285 G HN 0.792 nan 8.290 nan 0.000 0.583 286 R N 0.334 120.706 120.500 -0.212 0.000 2.092 286 R HA -0.099 3.951 4.340 -0.483 0.000 0.231 286 R C 2.378 178.617 176.300 -0.102 0.000 1.119 286 R CA 1.554 57.547 56.100 -0.177 0.000 0.970 286 R CB -0.136 30.059 30.300 -0.175 0.000 0.864 286 R HN 0.817 nan 8.270 nan 0.000 0.440 287 D N 0.544 120.915 120.400 -0.048 0.000 2.133 287 D HA -0.151 4.199 4.640 -0.483 0.000 0.195 287 D C 1.785 178.051 176.300 -0.058 0.000 0.997 287 D CA 1.256 55.243 54.000 -0.023 0.000 0.840 287 D CB -0.462 40.353 40.800 0.024 0.000 0.947 287 D HN 0.101 nan 8.370 nan 0.000 0.452 288 V N 0.821 120.712 119.914 -0.039 0.000 2.323 288 V HA -0.181 3.649 4.120 -0.483 0.000 0.244 288 V C 2.974 179.026 176.094 -0.069 0.000 1.041 288 V CA 1.139 63.429 62.300 -0.016 0.000 1.025 288 V CB -0.268 31.603 31.823 0.080 0.000 0.656 288 V HN 0.103 nan 8.190 nan 0.000 0.451 289 V N 0.507 120.365 119.914 -0.093 0.000 2.343 289 V HA -0.251 3.580 4.120 -0.483 0.000 0.247 289 V C 2.718 178.771 176.094 -0.069 0.000 1.051 289 V CA 2.024 64.278 62.300 -0.077 0.000 1.036 289 V CB -1.189 30.567 31.823 -0.112 0.000 0.654 289 V HN 0.546 nan 8.190 nan 0.000 0.451 290 A N -0.204 122.561 122.820 -0.092 0.000 1.877 290 A HA -0.224 3.806 4.320 -0.483 0.000 0.216 290 A C 2.408 179.897 177.584 -0.158 0.000 1.186 290 A CA 1.825 53.806 52.037 -0.093 0.000 0.620 290 A CB -0.523 18.436 19.000 -0.069 0.000 0.822 290 A HN 0.466 nan 8.150 nan 0.000 0.443 291 R N -0.364 120.006 120.500 -0.218 0.000 2.096 291 R HA -0.076 3.975 4.340 -0.483 0.000 0.235 291 R C 2.510 178.733 176.300 -0.128 0.000 1.127 291 R CA 1.507 57.453 56.100 -0.256 0.000 0.968 291 R CB -0.286 29.870 30.300 -0.241 0.000 0.861 291 R HN 0.538 nan 8.270 nan 0.000 0.440 292 S N 0.861 116.406 115.700 -0.259 0.000 2.368 292 S HA -0.071 4.109 4.470 -0.483 0.000 0.224 292 S C 1.940 176.304 174.600 -0.394 0.000 1.029 292 S CA 0.979 58.806 58.200 -0.621 0.000 0.988 292 S CB -0.113 62.674 63.200 -0.689 0.000 0.838 292 S HN 0.220 nan 8.310 nan 0.000 0.462 293 I N 1.377 121.876 120.570 -0.118 0.000 2.226 293 I HA -0.204 3.676 4.170 -0.483 0.000 0.245 293 I C 2.279 178.320 176.117 -0.126 0.000 1.100 293 I CA 0.958 62.206 61.300 -0.086 0.000 1.374 293 I CB -0.333 37.710 38.000 0.071 0.000 1.057 293 I HN 0.276 nan 8.210 nan 0.000 0.413 294 M N 0.065 119.637 119.600 -0.045 0.000 2.175 294 M HA -0.124 4.067 4.480 -0.483 0.000 0.264 294 M C 2.414 178.751 176.300 0.061 0.000 1.063 294 M CA 1.779 57.113 55.300 0.057 0.000 1.119 294 M CB -0.962 31.749 32.600 0.185 0.000 1.377 294 M HN 0.210 nan 8.290 nan 0.000 0.415 295 I N -0.012 120.585 120.570 0.045 0.000 2.179 295 I HA -0.261 3.619 4.170 -0.483 0.000 0.242 295 I C 2.406 178.482 176.117 -0.068 0.000 1.088 295 I CA 1.000 62.300 61.300 -0.001 0.000 1.357 295 I CB -0.441 37.586 38.000 0.044 0.000 1.051 295 I HN 0.227 nan 8.210 nan 0.000 0.409 296 E N 0.867 120.961 120.200 -0.176 0.000 2.097 296 E HA -0.232 3.828 4.350 -0.483 0.000 0.196 296 E C 2.235 178.723 176.600 -0.187 0.000 1.000 296 E CA 1.552 57.798 56.400 -0.258 0.000 0.804 296 E CB -0.378 28.954 29.700 -0.614 0.000 0.740 296 E HN 0.544 nan 8.360 nan 0.000 0.454 297 I N 0.458 120.938 120.570 -0.149 0.000 2.163 297 I HA -0.252 3.629 4.170 -0.483 0.000 0.240 297 I C 2.590 178.661 176.117 -0.077 0.000 1.081 297 I CA 1.044 62.283 61.300 -0.101 0.000 1.353 297 I CB -0.230 37.733 38.000 -0.062 0.000 1.054 297 I HN -0.009 nan 8.210 nan 0.000 0.407 298 R N 0.751 121.214 120.500 -0.062 0.000 2.117 298 R HA -0.189 3.861 4.340 -0.483 0.000 0.243 298 R C 1.647 177.898 176.300 -0.081 0.000 1.143 298 R CA 1.404 57.461 56.100 -0.073 0.000 0.968 298 R CB -0.320 29.921 30.300 -0.098 0.000 0.863 298 R HN 0.467 nan 8.270 nan 0.000 0.444 299 E N -0.583 119.570 120.200 -0.079 0.000 2.476 299 E HA 0.065 4.125 4.350 -0.483 0.000 0.191 299 E C 0.489 177.048 176.600 -0.067 0.000 1.064 299 E CA 0.262 56.621 56.400 -0.069 0.000 0.866 299 E CB 0.625 30.294 29.700 -0.052 0.000 0.952 299 E HN 0.533 nan 8.360 nan 0.000 0.492 300 G N 2.047 110.799 108.800 -0.080 0.000 2.137 300 G HA2 -0.326 3.344 3.960 -0.483 0.000 0.237 300 G HA3 -0.326 3.344 3.960 -0.483 0.000 0.237 300 G C 0.672 175.500 174.900 -0.118 0.000 1.002 300 G CA 0.124 45.176 45.100 -0.079 0.000 0.702 300 G HN 0.276 nan 8.290 nan 0.000 0.515 301 R N -0.091 120.309 120.500 -0.166 0.000 2.472 301 R HA 0.320 4.371 4.340 -0.483 0.000 0.279 301 R C 1.616 177.760 176.300 -0.259 0.000 0.953 301 R CA 0.166 56.101 56.100 -0.276 0.000 1.088 301 R CB 0.708 30.844 30.300 -0.273 0.000 1.197 301 R HN 0.391 nan 8.270 nan 0.000 0.536 302 G N 0.610 109.289 108.800 -0.201 0.000 2.594 302 G HA2 0.182 3.852 3.960 -0.483 0.000 0.243 302 G HA3 0.182 3.852 3.960 -0.483 0.000 0.243 302 G C 0.069 174.839 174.900 -0.217 0.000 1.229 302 G CA -0.421 44.560 45.100 -0.199 0.000 0.843 302 G HN 0.162 nan 8.290 nan 0.000 0.578 303 C N 0.235 119.329 119.300 -0.343 0.000 2.335 303 C HA 0.676 4.846 4.460 -0.483 0.000 0.363 303 C C 0.258 175.058 174.990 -0.316 0.000 1.198 303 C CA -0.628 58.178 59.018 -0.353 0.000 2.279 303 C CB 1.440 28.892 27.740 -0.480 0.000 2.334 303 C HN 0.768 nan 8.230 nan 0.000 0.559 304 D N -1.553 118.841 120.400 -0.009 0.000 2.614 304 D HA 0.770 5.120 4.640 -0.483 0.000 0.264 304 D C 0.038 176.583 176.300 0.407 0.000 1.092 304 D CA 0.519 54.633 54.000 0.191 0.000 1.071 304 D CB 2.282 43.139 40.800 0.095 0.000 1.443 304 D HN 0.991 nan 8.370 nan 0.000 0.528 305 G N -0.378 108.605 108.800 0.305 0.000 2.345 305 G HA2 0.092 3.763 3.960 -0.483 0.000 0.285 305 G HA3 0.092 3.763 3.960 -0.483 0.000 0.285 305 G C -2.295 172.528 174.900 -0.129 0.000 1.297 305 G CA -0.388 44.770 45.100 0.095 0.000 0.875 305 G HN 0.312 nan 8.290 nan 0.000 0.506 306 P HA -0.058 nan 4.420 nan 0.000 0.218 306 P C 1.272 178.360 177.300 -0.353 0.000 1.148 306 P CA 1.404 64.205 63.100 -0.499 0.000 0.822 306 P CB -0.032 31.231 31.700 -0.727 0.000 0.784 307 W N 0.483 121.776 121.300 -0.011 0.000 2.611 307 W HA 0.193 4.564 4.660 -0.481 0.000 0.251 307 W C 1.205 177.749 176.519 0.042 0.000 1.265 307 W CA 1.048 58.379 57.345 -0.024 0.000 1.295 307 W CB -1.206 28.166 29.460 -0.148 0.000 1.129 307 W HN 0.088 nan 8.180 nan 0.000 0.630 308 G N 0.465 109.428 108.800 0.272 0.000 2.760 308 G HA2 -0.228 3.442 3.960 -0.483 0.000 0.246 308 G HA3 -0.228 3.442 3.960 -0.483 0.000 0.246 308 G C -2.873 172.246 174.900 0.365 0.000 1.359 308 G CA -1.231 44.012 45.100 0.238 0.000 0.861 308 G HN -0.193 nan 8.290 nan 0.000 0.541 309 P HA 0.318 nan 4.420 nan 0.000 0.266 309 P C -0.063 177.372 177.300 0.226 0.000 1.195 309 P CA 0.849 64.043 63.100 0.157 0.000 0.768 309 P CB 0.534 32.273 31.700 0.065 0.000 0.838 310 H N -0.165 118.942 119.070 0.061 0.000 2.969 310 H HA 0.656 4.929 4.556 -0.472 0.000 0.304 310 H C -1.794 173.552 175.328 0.030 0.000 1.400 310 H CA -1.167 54.906 56.048 0.041 0.000 1.182 310 H CB 0.347 30.125 29.762 0.028 0.000 1.865 310 H HN 0.432 nan 8.280 nan 0.000 0.512 311 A N 1.412 124.305 122.820 0.122 0.000 2.269 311 A HA 0.543 4.573 4.320 -0.483 0.000 0.319 311 A C -0.259 177.458 177.584 0.222 0.000 1.110 311 A CA -0.923 51.200 52.037 0.142 0.000 0.847 311 A CB 0.881 20.040 19.000 0.265 0.000 1.161 311 A HN 0.489 nan 8.150 nan 0.000 0.497 312 K N 0.677 121.179 120.400 0.171 0.000 2.183 312 K HA 0.402 4.432 4.320 -0.483 0.000 0.274 312 K C -1.379 175.245 176.600 0.040 0.000 1.009 312 K CA -0.453 55.894 56.287 0.100 0.000 0.888 312 K CB 1.504 34.051 32.500 0.080 0.000 1.078 312 K HN 0.478 nan 8.250 nan 0.000 0.459 313 L N 3.220 124.429 121.223 -0.023 0.000 2.277 313 L HA 0.284 4.334 4.340 -0.483 0.000 0.284 313 L C -0.199 176.605 176.870 -0.109 0.000 1.028 313 L CA -0.162 54.642 54.840 -0.060 0.000 0.835 313 L CB 0.705 42.732 42.059 -0.054 0.000 1.215 313 L HN 0.449 nan 8.230 nan 0.000 0.425 314 K N 5.283 125.569 120.400 -0.189 0.000 2.248 314 K HA 0.390 4.420 4.320 -0.483 0.000 0.281 314 K C -0.213 176.273 176.600 -0.189 0.000 1.054 314 K CA -0.321 55.830 56.287 -0.227 0.000 0.903 314 K CB 0.652 32.909 32.500 -0.404 0.000 1.077 314 K HN 0.875 nan 8.250 nan 0.000 0.474 315 L N 3.178 124.328 121.223 -0.121 0.000 2.993 315 L HA 0.082 4.132 4.340 -0.483 0.000 0.264 315 L C 1.153 177.869 176.870 -0.257 0.000 1.154 315 L CA 0.039 54.754 54.840 -0.207 0.000 0.972 315 L CB 0.196 42.164 42.059 -0.152 0.000 1.373 315 L HN 0.739 nan 8.230 nan 0.000 0.564 316 D N -0.378 119.975 120.400 -0.078 0.000 2.221 316 D HA -0.283 4.068 4.640 -0.483 0.000 0.204 316 D C 1.953 178.224 176.300 -0.048 0.000 0.982 316 D CA 1.454 55.425 54.000 -0.047 0.000 0.857 316 D CB -0.292 40.512 40.800 0.007 0.000 0.934 316 D HN 0.506 nan 8.370 nan 0.000 0.475 317 H N 0.643 119.683 119.070 -0.050 0.000 2.524 317 H HA 0.051 4.317 4.556 -0.483 0.000 0.282 317 H C 1.929 177.255 175.328 -0.003 0.000 1.016 317 H CA 0.429 56.470 56.048 -0.013 0.000 1.270 317 H CB -0.525 29.244 29.762 0.012 0.000 1.394 317 H HN 0.270 nan 8.280 nan 0.000 0.568 318 L N 0.608 121.522 121.223 -0.515 0.000 2.201 318 L HA 0.054 4.105 4.340 -0.483 0.000 0.212 318 L C 1.094 177.891 176.870 -0.122 0.000 1.105 318 L CA 0.849 55.519 54.840 -0.285 0.000 0.775 318 L CB -0.560 41.323 42.059 -0.294 0.000 0.913 318 L HN 0.593 nan 8.230 nan 0.000 0.440 319 G N 0.093 108.834 108.800 -0.098 0.000 2.692 319 G HA2 -0.246 3.425 3.960 -0.483 0.000 0.686 319 G HA3 -0.246 3.425 3.960 -0.483 0.000 0.686 319 G C 0.267 175.138 174.900 -0.049 0.000 1.243 319 G CA 0.047 45.117 45.100 -0.050 0.000 0.782 319 G HN 0.139 nan 8.290 nan 0.000 0.625 320 K N 0.019 120.398 120.400 -0.034 0.000 2.074 320 K HA -0.152 3.878 4.320 -0.483 0.000 0.209 320 K C 2.119 178.699 176.600 -0.034 0.000 1.048 320 K CA 2.171 58.439 56.287 -0.032 0.000 0.926 320 K CB -0.172 32.314 32.500 -0.023 0.000 0.713 320 K HN 0.639 nan 8.250 nan 0.000 0.444 321 E N -0.063 120.119 120.200 -0.031 0.000 2.031 321 E HA -0.161 3.899 4.350 -0.483 0.000 0.193 321 E C 2.004 178.581 176.600 -0.039 0.000 0.994 321 E CA 1.483 57.864 56.400 -0.031 0.000 0.800 321 E CB 0.092 29.777 29.700 -0.025 0.000 0.752 321 E HN 0.151 nan 8.360 nan 0.000 0.447 322 V N 1.528 121.417 119.914 -0.041 0.000 2.343 322 V HA -0.274 3.557 4.120 -0.483 0.000 0.247 322 V C 2.443 178.508 176.094 -0.048 0.000 1.051 322 V CA 1.408 63.680 62.300 -0.045 0.000 1.036 322 V CB -0.449 31.349 31.823 -0.041 0.000 0.654 322 V HN 0.282 nan 8.190 nan 0.000 0.451 323 L N -0.406 120.786 121.223 -0.051 0.000 2.017 323 L HA -0.215 3.836 4.340 -0.483 0.000 0.208 323 L C 2.572 179.420 176.870 -0.038 0.000 1.073 323 L CA 1.882 56.693 54.840 -0.048 0.000 0.745 323 L CB -0.638 41.388 42.059 -0.055 0.000 0.894 323 L HN 0.349 nan 8.230 nan 0.000 0.432 324 E N -0.800 119.378 120.200 -0.038 0.000 2.204 324 E HA -0.188 3.872 4.350 -0.483 0.000 0.194 324 E C 2.321 178.898 176.600 -0.039 0.000 0.989 324 E CA 1.275 57.654 56.400 -0.035 0.000 0.824 324 E CB 0.033 29.713 29.700 -0.033 0.000 0.756 324 E HN 0.366 nan 8.360 nan 0.000 0.477 325 S N 0.200 115.871 115.700 -0.048 0.000 2.371 325 S HA -0.028 4.152 4.470 -0.483 0.000 0.221 325 S C 1.869 176.426 174.600 -0.071 0.000 1.036 325 S CA 0.495 58.657 58.200 -0.062 0.000 0.965 325 S CB 0.203 63.357 63.200 -0.076 0.000 0.845 325 S HN 0.068 nan 8.310 nan 0.000 0.475 326 R N 0.100 120.563 120.500 -0.063 0.000 2.237 326 R HA 0.385 4.435 4.340 -0.483 0.000 0.195 326 R C 0.467 176.771 176.300 0.007 0.000 0.956 326 R CA 0.372 56.444 56.100 -0.046 0.000 1.029 326 R CB -0.139 30.139 30.300 -0.036 0.000 0.972 326 R HN 0.409 nan 8.270 nan 0.000 0.493 327 L N 1.581 122.803 121.223 -0.003 0.000 3.313 327 L HA 0.240 4.290 4.340 -0.483 0.000 0.320 327 L C -1.727 175.141 176.870 -0.004 0.000 1.304 327 L CA -0.834 54.012 54.840 0.009 0.000 0.920 327 L CB 1.499 43.562 42.059 0.006 0.000 1.357 327 L HN -0.133 nan 8.230 nan 0.000 0.602 328 P HA -0.115 nan 4.420 nan 0.000 0.220 328 P C 1.596 178.890 177.300 -0.011 0.000 1.148 328 P CA 1.363 64.452 63.100 -0.018 0.000 0.803 328 P CB 0.330 32.014 31.700 -0.026 0.000 0.782 329 G N 1.322 110.120 108.800 -0.004 0.000 2.418 329 G HA2 -0.225 3.445 3.960 -0.483 0.000 0.217 329 G HA3 -0.225 3.445 3.960 -0.483 0.000 0.217 329 G C 1.486 176.398 174.900 0.020 0.000 1.158 329 G CA 1.102 46.204 45.100 0.004 0.000 0.771 329 G HN 0.403 nan 8.290 nan 0.000 0.545 330 I N -1.267 119.313 120.570 0.017 0.000 2.617 330 I HA 0.170 4.050 4.170 -0.483 0.000 0.256 330 I C 2.363 178.488 176.117 0.014 0.000 1.167 330 I CA 0.590 61.901 61.300 0.018 0.000 1.469 330 I CB -0.331 37.672 38.000 0.006 0.000 1.098 330 I HN 0.039 nan 8.210 nan 0.000 0.436 331 L N 0.603 121.826 121.223 0.000 0.000 2.012 331 L HA -0.204 3.846 4.340 -0.483 0.000 0.210 331 L C 2.761 179.631 176.870 -0.000 0.000 1.073 331 L CA 1.974 56.810 54.840 -0.008 0.000 0.748 331 L CB -0.697 41.352 42.059 -0.018 0.000 0.891 331 L HN 0.335 nan 8.230 nan 0.000 0.431 332 E N 0.646 120.849 120.200 0.005 0.000 2.077 332 E HA -0.184 3.876 4.350 -0.483 0.000 0.193 332 E C 2.187 178.813 176.600 0.044 0.000 0.989 332 E CA 1.321 57.724 56.400 0.006 0.000 0.800 332 E CB -0.254 29.448 29.700 0.004 0.000 0.746 332 E HN 0.351 nan 8.360 nan 0.000 0.452 333 L N -0.127 121.156 121.223 0.099 0.000 2.017 333 L HA -0.149 3.901 4.340 -0.483 0.000 0.208 333 L C 2.659 179.664 176.870 0.225 0.000 1.073 333 L CA 1.451 56.429 54.840 0.230 0.000 0.745 333 L CB -0.666 41.503 42.059 0.183 0.000 0.894 333 L HN 0.174 nan 8.230 nan 0.000 0.432 334 S N -0.199 115.567 115.700 0.110 0.000 2.368 334 S HA -0.172 4.008 4.470 -0.483 0.000 0.225 334 S C 2.124 176.767 174.600 0.070 0.000 1.030 334 S CA 1.259 59.507 58.200 0.080 0.000 0.999 334 S CB -0.066 63.145 63.200 0.018 0.000 0.844 334 S HN 0.313 nan 8.310 nan 0.000 0.459 335 R N -0.150 120.360 120.500 0.016 0.000 2.092 335 R HA 0.006 4.056 4.340 -0.483 0.000 0.231 335 R C 2.449 178.675 176.300 -0.124 0.000 1.119 335 R CA 1.818 57.892 56.100 -0.043 0.000 0.970 335 R CB -0.616 29.645 30.300 -0.066 0.000 0.864 335 R HN 0.371 nan 8.270 nan 0.000 0.440 336 T N 0.024 114.494 114.554 -0.139 0.000 2.770 336 T HA -0.014 4.047 4.350 -0.483 0.000 0.258 336 T C 1.119 175.626 174.700 -0.322 0.000 1.039 336 T CA 1.154 63.042 62.100 -0.353 0.000 1.143 336 T CB -0.074 68.465 68.868 -0.548 0.000 0.866 336 T HN 0.084 nan 8.240 nan 0.000 0.428 337 F N 0.320 120.351 119.950 0.136 0.000 2.746 337 F HA 0.525 4.762 4.527 -0.484 0.000 0.297 337 F C 2.048 177.994 175.800 0.244 0.000 1.113 337 F CA -0.135 57.972 58.000 0.177 0.000 1.367 337 F CB 0.112 39.177 39.000 0.107 0.000 1.111 337 F HN 0.141 nan 8.300 nan 0.000 0.590 338 A N -2.045 121.013 122.820 0.397 0.000 2.287 338 A HA 0.195 4.225 4.320 -0.483 0.000 0.214 338 A C 0.496 178.425 177.584 0.574 0.000 1.228 338 A CA 0.054 52.346 52.037 0.426 0.000 0.939 338 A CB -0.501 18.572 19.000 0.122 0.000 0.992 338 A HN 0.456 nan 8.150 nan 0.000 0.502 339 H N -1.018 118.160 119.070 0.181 0.000 2.770 339 H HA -0.133 4.132 4.556 -0.484 0.000 0.309 339 H C -0.909 174.518 175.328 0.164 0.000 1.206 339 H CA 0.503 56.635 56.048 0.140 0.000 1.147 339 H CB -1.772 28.068 29.762 0.130 0.000 1.422 339 H HN 0.241 nan 8.280 nan 0.000 0.420 340 V N 1.420 121.449 119.914 0.192 0.000 2.525 340 V HA 0.096 3.926 4.120 -0.483 0.000 0.299 340 V C 0.039 176.155 176.094 0.037 0.000 1.034 340 V CA -0.705 61.659 62.300 0.106 0.000 0.863 340 V CB 2.223 34.059 31.823 0.021 0.000 0.999 340 V HN 0.227 nan 8.190 nan 0.000 0.423 341 D N 6.931 127.347 120.400 0.026 0.000 2.365 341 D HA 0.328 4.678 4.640 -0.483 0.000 0.237 341 D C -1.656 174.638 176.300 -0.011 0.000 1.190 341 D CA -2.071 51.930 54.000 0.001 0.000 0.867 341 D CB 2.067 42.868 40.800 0.002 0.000 1.050 341 D HN 0.196 nan 8.370 nan 0.000 0.491 342 P HA -0.111 nan 4.420 nan 0.000 0.222 342 P C 1.452 178.727 177.300 -0.041 0.000 1.147 342 P CA 0.320 63.396 63.100 -0.040 0.000 0.790 342 P CB 0.363 32.035 31.700 -0.046 0.000 0.780 343 V N 0.174 120.069 119.914 -0.032 0.000 2.594 343 V HA -0.211 3.620 4.120 -0.483 0.000 0.253 343 V C 2.028 178.111 176.094 -0.019 0.000 1.069 343 V CA 1.770 64.051 62.300 -0.031 0.000 1.082 343 V CB -0.788 31.020 31.823 -0.025 0.000 0.680 343 V HN 0.252 nan 8.190 nan 0.000 0.469 344 K N -0.904 119.491 120.400 -0.009 0.000 2.387 344 K HA 0.292 4.323 4.320 -0.483 0.000 0.197 344 K C 0.713 177.318 176.600 0.008 0.000 1.127 344 K CA 0.089 56.379 56.287 0.005 0.000 0.950 344 K CB 1.180 33.688 32.500 0.013 0.000 1.017 344 K HN 0.386 nan 8.250 nan 0.000 0.519 345 E N 1.618 121.818 120.200 -0.000 0.000 2.317 345 E HA 0.318 4.378 4.350 -0.483 0.000 0.270 345 E C -2.821 173.757 176.600 -0.036 0.000 0.885 345 E CA -2.484 53.916 56.400 -0.001 0.000 0.760 345 E CB 2.735 32.448 29.700 0.022 0.000 1.227 345 E HN -0.214 nan 8.360 nan 0.000 0.434 346 P HA 0.131 nan 4.420 nan 0.000 0.271 346 P C -0.558 176.656 177.300 -0.144 0.000 1.218 346 P CA 0.130 63.182 63.100 -0.081 0.000 0.780 346 P CB 0.456 32.123 31.700 -0.054 0.000 0.901 347 I N 4.546 125.028 120.570 -0.147 0.000 2.416 347 I HA 0.169 4.049 4.170 -0.483 0.000 0.288 347 I C -1.834 174.113 176.117 -0.283 0.000 1.051 347 I CA -2.120 59.053 61.300 -0.210 0.000 1.375 347 I CB 0.650 38.570 38.000 -0.134 0.000 1.407 347 I HN 0.157 nan 8.210 nan 0.000 0.516 348 P HA 0.152 nan 4.420 nan 0.000 0.282 348 P C -0.791 176.310 177.300 -0.331 0.000 1.274 348 P CA -0.053 62.639 63.100 -0.680 0.000 0.770 348 P CB 1.001 31.644 31.700 -1.761 0.000 0.867 349 V N 2.451 122.326 119.914 -0.064 0.000 2.962 349 V HA 0.756 4.586 4.120 -0.483 0.000 0.313 349 V C -0.671 175.476 176.094 0.089 0.000 1.099 349 V CA -1.185 61.118 62.300 0.004 0.000 0.971 349 V CB 2.576 34.404 31.823 0.010 0.000 1.028 349 V HN 0.479 nan 8.190 nan 0.000 0.430 350 I N 2.107 122.723 120.570 0.078 0.000 2.841 350 I HA 0.637 4.517 4.170 -0.483 0.000 0.298 350 I C -2.840 173.329 176.117 0.088 0.000 1.304 350 I CA -2.313 59.041 61.300 0.091 0.000 1.019 350 I CB 3.349 41.411 38.000 0.103 0.000 1.282 350 I HN 0.557 nan 8.210 nan 0.000 0.432 351 P HA 0.177 nan 4.420 nan 0.000 0.266 351 P C -1.466 175.942 177.300 0.179 0.000 1.195 351 P CA 0.183 63.353 63.100 0.116 0.000 0.768 351 P CB 0.497 32.226 31.700 0.048 0.000 0.838 352 T N 1.778 116.478 114.554 0.244 0.000 3.032 352 T HA 0.145 4.205 4.350 -0.483 0.000 0.312 352 T C -0.707 174.056 174.700 0.106 0.000 1.078 352 T CA -0.353 61.865 62.100 0.196 0.000 1.028 352 T CB 0.763 69.686 68.868 0.090 0.000 1.091 352 T HN 0.436 nan 8.240 nan 0.000 0.457 353 C N 3.557 122.777 119.300 -0.134 0.000 2.437 353 C HA 0.148 4.318 4.460 -0.483 0.000 0.399 353 C C 1.427 176.333 174.990 -0.141 0.000 1.478 353 C CA 1.099 59.727 59.018 -0.650 0.000 1.538 353 C CB -1.167 26.062 27.740 -0.852 0.000 2.506 353 C HN 1.137 nan 8.230 nan 0.000 0.603 354 H N 2.232 121.213 119.070 -0.148 0.000 2.312 354 H HA 0.281 4.549 4.556 -0.480 0.000 0.215 354 H C -0.875 174.575 175.328 0.203 0.000 0.870 354 H CA 0.604 56.694 56.048 0.070 0.000 0.982 354 H CB 0.253 30.112 29.762 0.161 0.000 1.330 354 H HN 0.741 nan 8.280 nan 0.000 0.399 355 Y N 0.847 121.149 120.300 0.002 0.000 2.479 355 Y HA 0.354 4.613 4.550 -0.484 0.000 0.338 355 Y C -1.392 174.391 175.900 -0.194 0.000 1.055 355 Y CA -1.155 56.868 58.100 -0.128 0.000 1.023 355 Y CB 1.618 39.967 38.460 -0.186 0.000 1.287 355 Y HN 0.123 nan 8.280 nan 0.000 0.447 356 M N 7.413 126.312 119.600 -1.169 0.000 2.206 356 M HA 0.221 4.411 4.480 -0.483 0.000 0.353 356 M C -0.398 175.327 176.300 -0.958 0.000 1.242 356 M CA -0.299 54.181 55.300 -1.366 0.000 1.179 356 M CB 0.773 32.603 32.600 -1.283 0.000 1.374 356 M HN 1.053 nan 8.290 nan 0.000 0.427 357 M N 2.845 122.180 119.600 -0.441 0.000 2.296 357 M HA 0.093 4.283 4.480 -0.483 0.000 0.265 357 M C 1.249 177.469 176.300 -0.133 0.000 1.064 357 M CA 0.965 56.250 55.300 -0.025 0.000 1.109 357 M CB -0.307 32.340 32.600 0.077 0.000 1.396 357 M HN 0.729 nan 8.290 nan 0.000 0.430 358 G N -1.140 107.467 108.800 -0.321 0.000 2.588 358 G HA2 0.532 4.202 3.960 -0.483 0.000 0.278 358 G HA3 0.532 4.202 3.960 -0.483 0.000 0.278 358 G C 0.126 174.889 174.900 -0.228 0.000 1.307 358 G CA -0.096 44.865 45.100 -0.232 0.000 1.016 358 G HN 0.601 nan 8.290 nan 0.000 0.503 359 G N -1.835 106.872 108.800 -0.156 0.000 2.339 359 G HA2 0.233 3.903 3.960 -0.483 0.000 0.275 359 G HA3 0.233 3.903 3.960 -0.483 0.000 0.275 359 G C -0.915 173.930 174.900 -0.091 0.000 1.323 359 G CA -0.752 44.271 45.100 -0.129 0.000 0.927 359 G HN 0.730 nan 8.290 nan 0.000 0.486 360 I N 3.280 123.800 120.570 -0.082 0.000 2.471 360 I HA 0.259 4.139 4.170 -0.483 0.000 0.286 360 I C -1.619 174.436 176.117 -0.104 0.000 1.079 360 I CA -1.468 59.787 61.300 -0.074 0.000 1.398 360 I CB 1.359 39.322 38.000 -0.062 0.000 1.403 360 I HN 0.189 nan 8.210 nan 0.000 0.530 361 P HA 0.096 nan 4.420 nan 0.000 0.271 361 P C -0.565 176.644 177.300 -0.152 0.000 1.216 361 P CA -0.042 62.967 63.100 -0.152 0.000 0.771 361 P CB 0.835 32.446 31.700 -0.148 0.000 0.864 362 T N -0.151 114.296 114.554 -0.179 0.000 2.883 362 T HA 0.534 4.594 4.350 -0.483 0.000 0.296 362 T C -0.145 174.441 174.700 -0.190 0.000 1.117 362 T CA -0.994 61.001 62.100 -0.176 0.000 1.006 362 T CB 1.746 70.514 68.868 -0.167 0.000 1.191 362 T HN 0.165 nan 8.240 nan 0.000 0.508 363 K N 0.391 120.689 120.400 -0.170 0.000 2.127 363 K HA 0.517 4.548 4.320 -0.483 0.000 0.240 363 K C 1.343 177.829 176.600 -0.190 0.000 1.024 363 K CA -0.863 55.324 56.287 -0.166 0.000 0.918 363 K CB 0.627 33.043 32.500 -0.139 0.000 1.108 363 K HN 0.317 nan 8.250 nan 0.000 0.485 364 V N 0.921 120.717 119.914 -0.198 0.000 2.469 364 V HA -0.253 3.577 4.120 -0.483 0.000 0.251 364 V C 2.269 178.245 176.094 -0.197 0.000 1.064 364 V CA 2.436 64.617 62.300 -0.199 0.000 1.066 364 V CB -1.039 30.563 31.823 -0.368 0.000 0.667 364 V HN 1.036 nan 8.190 nan 0.000 0.461 365 T N -2.653 111.764 114.554 -0.228 0.000 3.072 365 T HA 0.166 4.226 4.350 -0.483 0.000 0.266 365 T C 1.625 176.361 174.700 0.060 0.000 1.127 365 T CA 1.240 63.239 62.100 -0.168 0.000 1.107 365 T CB 0.273 69.097 68.868 -0.074 0.000 0.910 365 T HN 0.953 nan 8.240 nan 0.000 0.513 366 G N 0.589 109.412 108.800 0.038 0.000 2.213 366 G HA2 -0.248 3.423 3.960 -0.483 0.000 0.236 366 G HA3 -0.248 3.423 3.960 -0.483 0.000 0.236 366 G C -0.039 174.918 174.900 0.095 0.000 0.991 366 G CA -0.073 45.107 45.100 0.133 0.000 0.629 366 G HN 0.666 nan 8.290 nan 0.000 0.517 367 Q N 1.058 120.816 119.800 -0.070 0.000 2.286 367 Q HA 0.496 4.546 4.340 -0.483 0.000 0.290 367 Q C 0.728 176.542 176.000 -0.310 0.000 1.049 367 Q CA 0.403 55.939 55.803 -0.445 0.000 0.923 367 Q CB 0.881 29.403 28.738 -0.360 0.000 1.183 367 Q HN 0.816 nan 8.270 nan 0.000 0.383 368 A N 3.677 126.284 122.820 -0.355 0.000 2.340 368 A HA 0.557 4.587 4.320 -0.483 0.000 0.268 368 A C -0.555 176.916 177.584 -0.188 0.000 1.100 368 A CA -0.456 51.454 52.037 -0.212 0.000 0.803 368 A CB 0.483 19.382 19.000 -0.168 0.000 1.043 368 A HN 0.702 nan 8.150 nan 0.000 0.488 369 L N 0.636 121.774 121.223 -0.143 0.000 2.333 369 L HA 0.722 4.772 4.340 -0.483 0.000 0.269 369 L C 0.531 177.343 176.870 -0.096 0.000 1.010 369 L CA -0.400 54.368 54.840 -0.119 0.000 0.818 369 L CB 2.294 44.285 42.059 -0.113 0.000 1.306 369 L HN 0.839 nan 8.230 nan 0.000 0.430 370 T N 0.460 114.964 114.554 -0.083 0.000 2.693 370 T HA 0.771 4.832 4.350 -0.483 0.000 0.278 370 T C -1.450 173.214 174.700 -0.060 0.000 0.994 370 T CA -0.403 61.656 62.100 -0.068 0.000 1.033 370 T CB 1.895 70.725 68.868 -0.065 0.000 1.342 370 T HN 0.466 nan 8.240 nan 0.000 0.538 371 V N 1.557 121.439 119.914 -0.054 0.000 2.962 371 V HA 0.817 4.647 4.120 -0.483 0.000 0.313 371 V C -0.482 175.586 176.094 -0.043 0.000 1.099 371 V CA -1.176 61.097 62.300 -0.045 0.000 0.971 371 V CB 1.558 33.358 31.823 -0.038 0.000 1.028 371 V HN 1.043 nan 8.190 nan 0.000 0.430 372 N N 1.409 120.087 118.700 -0.036 0.000 2.476 372 N HA 0.272 4.722 4.740 -0.483 0.000 0.287 372 N C 0.874 176.365 175.510 -0.032 0.000 1.262 372 N CA -0.134 52.896 53.050 -0.034 0.000 0.980 372 N CB 0.067 38.536 38.487 -0.029 0.000 1.163 372 N HN 0.856 nan 8.380 nan 0.000 0.592 373 E N -0.218 119.964 120.200 -0.029 0.000 2.130 373 E HA -0.257 3.803 4.350 -0.483 0.000 0.196 373 E C 0.682 177.269 176.600 -0.022 0.000 0.998 373 E CA 1.274 57.659 56.400 -0.026 0.000 0.806 373 E CB -0.407 29.279 29.700 -0.023 0.000 0.738 373 E HN 0.574 nan 8.360 nan 0.000 0.459 374 K N 0.110 120.498 120.400 -0.020 0.000 2.525 374 K HA 0.065 4.095 4.320 -0.483 0.000 0.192 374 K C 1.034 177.624 176.600 -0.016 0.000 1.029 374 K CA 0.481 56.758 56.287 -0.017 0.000 1.029 374 K CB 0.283 32.774 32.500 -0.015 0.000 0.814 374 K HN 0.389 nan 8.250 nan 0.000 0.503 375 G N 2.134 110.922 108.800 -0.019 0.000 2.143 375 G HA2 -0.279 3.391 3.960 -0.483 0.000 0.248 375 G HA3 -0.279 3.391 3.960 -0.483 0.000 0.248 375 G C -0.434 174.457 174.900 -0.015 0.000 0.991 375 G CA 0.006 45.097 45.100 -0.016 0.000 0.689 375 G HN 0.396 nan 8.290 nan 0.000 0.522 376 E N 0.845 121.034 120.200 -0.019 0.000 2.301 376 E HA 0.384 4.444 4.350 -0.483 0.000 0.275 376 E C -0.396 176.188 176.600 -0.026 0.000 1.030 376 E CA -0.818 55.571 56.400 -0.019 0.000 0.852 376 E CB 0.716 30.405 29.700 -0.019 0.000 1.060 376 E HN 0.211 nan 8.360 nan 0.000 0.401 377 D N 1.571 121.954 120.400 -0.028 0.000 2.458 377 D HA 0.099 4.449 4.640 -0.483 0.000 0.243 377 D C -0.821 175.452 176.300 -0.045 0.000 1.146 377 D CA 0.329 54.305 54.000 -0.040 0.000 0.877 377 D CB 0.909 41.684 40.800 -0.043 0.000 1.176 377 D HN -0.031 nan 8.370 nan 0.000 0.461 378 V N 2.843 122.725 119.914 -0.054 0.000 2.623 378 V HA 0.145 3.976 4.120 -0.483 0.000 0.304 378 V C 0.228 176.276 176.094 -0.076 0.000 1.054 378 V CA -1.036 61.229 62.300 -0.057 0.000 0.882 378 V CB 2.121 33.914 31.823 -0.049 0.000 1.002 378 V HN 0.255 nan 8.190 nan 0.000 0.424 379 V N 4.994 124.857 119.914 -0.085 0.000 2.673 379 V HA 0.048 3.878 4.120 -0.483 0.000 0.303 379 V C 0.397 176.421 176.094 -0.116 0.000 1.046 379 V CA 0.020 62.248 62.300 -0.119 0.000 1.126 379 V CB 1.421 33.165 31.823 -0.132 0.000 0.934 379 V HN 0.637 nan 8.190 nan 0.000 0.487 380 V N 8.372 128.200 119.914 -0.143 0.000 2.387 380 V HA 0.190 4.020 4.120 -0.483 0.000 0.260 380 V C -2.002 174.005 176.094 -0.144 0.000 1.054 380 V CA -1.532 60.696 62.300 -0.121 0.000 0.967 380 V CB 0.636 32.391 31.823 -0.114 0.000 1.036 380 V HN 0.794 nan 8.190 nan 0.000 0.481 381 P HA 0.258 nan 4.420 nan 0.000 0.268 381 P C 1.073 178.351 177.300 -0.036 0.000 1.205 381 P CA 1.003 64.061 63.100 -0.070 0.000 0.771 381 P CB 0.805 32.491 31.700 -0.023 0.000 0.858 382 G N 0.792 109.604 108.800 0.019 0.000 2.205 382 G HA2 -0.241 3.429 3.960 -0.483 0.000 0.261 382 G HA3 -0.241 3.429 3.960 -0.483 0.000 0.261 382 G C -0.340 174.680 174.900 0.200 0.000 0.980 382 G CA 0.052 45.248 45.100 0.161 0.000 0.632 382 G HN 0.586 nan 8.290 nan 0.000 0.533 383 L N 0.366 121.550 121.223 -0.064 0.000 2.346 383 L HA 0.916 4.966 4.340 -0.483 0.000 0.276 383 L C -0.742 175.926 176.870 -0.337 0.000 1.006 383 L CA -1.346 53.471 54.840 -0.040 0.000 0.817 383 L CB 1.173 43.196 42.059 -0.060 0.000 1.272 383 L HN 0.058 nan 8.230 nan 0.000 0.421 384 F N 3.049 122.985 119.950 -0.023 0.000 2.613 384 F HA 0.877 5.114 4.527 -0.483 0.000 0.314 384 F C -0.172 175.606 175.800 -0.036 0.000 1.075 384 F CA -0.615 57.367 58.000 -0.029 0.000 0.945 384 F CB 2.268 41.257 39.000 -0.018 0.000 1.310 384 F HN 0.573 nan 8.300 nan 0.000 0.467 385 A N 1.230 124.133 122.820 0.139 0.000 2.488 385 A HA 0.792 4.822 4.320 -0.483 0.000 0.295 385 A C -1.733 175.877 177.584 0.043 0.000 1.045 385 A CA -0.735 51.334 52.037 0.054 0.000 0.703 385 A CB 1.467 20.462 19.000 -0.009 0.000 1.271 385 A HN 1.178 nan 8.150 nan 0.000 0.400 386 V N -0.163 119.777 119.914 0.044 0.000 2.841 386 V HA 1.015 4.845 4.120 -0.483 0.000 0.310 386 V C 0.389 176.519 176.094 0.061 0.000 1.090 386 V CA 0.250 62.588 62.300 0.064 0.000 0.930 386 V CB 0.839 32.723 31.823 0.102 0.000 1.014 386 V HN 2.941 nan 8.190 nan 0.000 0.425 387 G N 2.468 111.325 108.800 0.094 0.000 2.512 387 G HA2 -0.188 3.482 3.960 -0.483 0.000 0.210 387 G HA3 -0.188 3.482 3.960 -0.483 0.000 0.210 387 G C 0.476 175.431 174.900 0.091 0.000 1.295 387 G CA 0.679 45.848 45.100 0.115 0.000 0.934 387 G HN 1.375 nan 8.290 nan 0.000 0.554 388 E N -0.814 119.432 120.200 0.076 0.000 2.171 388 E HA -0.172 3.888 4.350 -0.483 0.000 0.197 388 E C 2.491 179.015 176.600 -0.126 0.000 0.997 388 E CA 1.778 58.154 56.400 -0.040 0.000 0.810 388 E CB -0.130 29.488 29.700 -0.138 0.000 0.738 388 E HN 0.512 nan 8.360 nan 0.000 0.467 389 I N 0.536 121.061 120.570 -0.075 0.000 2.614 389 I HA -0.021 3.859 4.170 -0.483 0.000 0.258 389 I C 0.685 176.751 176.117 -0.085 0.000 1.189 389 I CA 0.515 61.762 61.300 -0.088 0.000 1.462 389 I CB -0.360 37.608 38.000 -0.054 0.000 1.092 389 I HN 0.073 nan 8.210 nan 0.000 0.442 390 A N -0.544 122.239 122.820 -0.063 0.000 2.286 390 A HA 0.458 4.488 4.320 -0.483 0.000 0.286 390 A C -0.268 177.259 177.584 -0.096 0.000 1.097 390 A CA -0.278 51.709 52.037 -0.083 0.000 0.821 390 A CB 0.496 19.442 19.000 -0.091 0.000 1.076 390 A HN 0.397 nan 8.150 nan 0.000 0.490 391 C N 2.769 121.991 119.300 -0.130 0.000 2.653 391 C HA 0.473 4.643 4.460 -0.483 0.000 0.291 391 C C 1.217 176.081 174.990 -0.209 0.000 1.064 391 C CA -0.421 58.515 59.018 -0.136 0.000 1.469 391 C CB -1.084 26.577 27.740 -0.132 0.000 1.861 391 C HN 0.640 nan 8.230 nan 0.000 0.434 392 V N 3.364 123.120 119.914 -0.262 0.000 2.379 392 V HA 0.005 3.836 4.120 -0.483 0.000 0.245 392 V C 1.477 177.412 176.094 -0.265 0.000 1.044 392 V CA 1.733 63.820 62.300 -0.355 0.000 1.036 392 V CB -0.264 31.178 31.823 -0.634 0.000 0.664 392 V HN 0.834 nan 8.190 nan 0.000 0.453 393 S N -0.066 115.522 115.700 -0.187 0.000 2.433 393 S HA 0.358 4.538 4.470 -0.483 0.000 0.310 393 S C 0.467 174.990 174.600 -0.129 0.000 1.097 393 S CA -0.282 57.835 58.200 -0.138 0.000 1.103 393 S CB 1.761 64.964 63.200 0.006 0.000 0.992 393 S HN 0.248 nan 8.310 nan 0.000 0.469 394 V N 2.853 122.583 119.914 -0.307 0.000 3.650 394 V HA 0.339 4.170 4.120 -0.483 0.000 0.271 394 V C 1.035 176.919 176.094 -0.348 0.000 1.281 394 V CA 0.436 62.540 62.300 -0.326 0.000 1.120 394 V CB -0.808 30.830 31.823 -0.309 0.000 0.856 394 V HN 0.938 nan 8.190 nan 0.000 0.443 395 H N 0.526 119.635 119.070 0.064 0.000 2.874 395 H HA 0.453 4.719 4.556 -0.483 0.000 0.264 395 H C 1.821 177.185 175.328 0.059 0.000 1.007 395 H CA 0.375 56.458 56.048 0.058 0.000 1.207 395 H CB 0.695 30.498 29.762 0.068 0.000 1.487 395 H HN 0.513 nan 8.280 nan 0.000 0.505 396 G N 1.665 110.556 108.800 0.151 0.000 2.660 396 G HA2 -0.419 3.251 3.960 -0.483 0.000 0.321 396 G HA3 -0.419 3.251 3.960 -0.483 0.000 0.321 396 G C 1.234 176.209 174.900 0.125 0.000 1.246 396 G CA 1.518 46.694 45.100 0.128 0.000 1.000 396 G HN 0.580 nan 8.290 nan 0.000 0.550 397 A N 0.152 123.028 122.820 0.093 0.000 2.308 397 A HA 0.558 4.588 4.320 -0.483 0.000 0.217 397 A C 0.772 178.418 177.584 0.104 0.000 1.216 397 A CA 1.581 53.675 52.037 0.096 0.000 0.864 397 A CB -0.203 18.850 19.000 0.088 0.000 0.902 397 A HN 1.763 nan 8.150 nan 0.000 0.499 398 N N -0.848 117.913 118.700 0.101 0.000 2.839 398 N HA 0.154 4.604 4.740 -0.483 0.000 0.258 398 N C -1.018 174.537 175.510 0.076 0.000 1.150 398 N CA -0.398 52.704 53.050 0.088 0.000 0.957 398 N CB 0.840 39.372 38.487 0.074 0.000 1.560 398 N HN 0.241 nan 8.380 nan 0.000 0.588 399 R N 3.840 124.359 120.500 0.031 0.000 2.390 399 R HA 0.412 4.462 4.340 -0.483 0.000 0.291 399 R C -0.398 175.883 176.300 -0.033 0.000 1.070 399 R CA -0.410 55.656 56.100 -0.055 0.000 1.014 399 R CB 0.538 30.563 30.300 -0.459 0.000 1.007 399 R HN 0.547 nan 8.270 nan 0.000 0.466 400 L N 3.478 124.724 121.223 0.038 0.000 2.380 400 L HA 0.225 4.276 4.340 -0.483 0.000 0.273 400 L C 1.143 178.055 176.870 0.070 0.000 1.138 400 L CA -0.306 54.575 54.840 0.068 0.000 0.832 400 L CB 0.869 43.012 42.059 0.140 0.000 1.124 400 L HN 0.845 nan 8.230 nan 0.000 0.454 401 G N 1.199 110.095 108.800 0.160 0.000 2.321 401 G HA2 0.300 3.971 3.960 -0.483 0.000 0.237 401 G HA3 0.300 3.971 3.960 -0.483 0.000 0.237 401 G C 1.016 175.992 174.900 0.127 0.000 1.282 401 G CA 0.385 45.683 45.100 0.330 0.000 0.886 401 G HN 1.083 nan 8.290 nan 0.000 0.528 402 G N 2.223 111.007 108.800 -0.026 0.000 2.253 402 G HA2 -0.331 3.339 3.960 -0.483 0.000 0.251 402 G HA3 -0.331 3.339 3.960 -0.483 0.000 0.251 402 G C 1.242 176.125 174.900 -0.027 0.000 0.998 402 G CA 0.702 45.703 45.100 -0.164 0.000 0.621 402 G HN 0.693 nan 8.290 nan 0.000 0.524 403 N N 0.528 119.251 118.700 0.039 0.000 2.494 403 N HA 0.124 4.574 4.740 -0.483 0.000 0.182 403 N C 2.124 177.725 175.510 0.151 0.000 1.076 403 N CA 1.376 54.517 53.050 0.152 0.000 0.908 403 N CB 0.014 38.655 38.487 0.257 0.000 0.967 403 N HN 0.493 nan 8.380 nan 0.000 0.449 404 S N 0.244 115.925 115.700 -0.031 0.000 2.348 404 S HA 0.110 4.290 4.470 -0.483 0.000 0.219 404 S C 1.844 176.500 174.600 0.093 0.000 1.033 404 S CA 0.396 58.580 58.200 -0.026 0.000 0.974 404 S CB -0.219 62.857 63.200 -0.206 0.000 0.868 404 S HN 0.197 nan 8.310 nan 0.000 0.459 405 L N 1.181 122.438 121.223 0.056 0.000 2.081 405 L HA -0.134 3.916 4.340 -0.483 0.000 0.212 405 L C 2.565 179.484 176.870 0.082 0.000 1.080 405 L CA 1.150 56.029 54.840 0.065 0.000 0.754 405 L CB -0.679 41.404 42.059 0.040 0.000 0.893 405 L HN 0.381 nan 8.230 nan 0.000 0.433 406 L N 0.530 121.807 121.223 0.090 0.000 2.017 406 L HA -0.247 3.803 4.340 -0.483 0.000 0.208 406 L C 2.198 179.136 176.870 0.112 0.000 1.073 406 L CA 2.191 57.084 54.840 0.089 0.000 0.745 406 L CB -0.657 41.471 42.059 0.116 0.000 0.894 406 L HN 0.282 nan 8.230 nan 0.000 0.432 407 D N -0.510 120.024 120.400 0.224 0.000 2.092 407 D HA -0.247 4.103 4.640 -0.483 0.000 0.193 407 D C 2.163 178.656 176.300 0.323 0.000 0.994 407 D CA 2.171 56.401 54.000 0.384 0.000 0.828 407 D CB -0.354 40.740 40.800 0.491 0.000 0.963 407 D HN 0.453 nan 8.370 nan 0.000 0.450 408 L N -0.213 121.144 121.223 0.223 0.000 2.010 408 L HA -0.234 3.817 4.340 -0.483 0.000 0.219 408 L C 2.763 179.703 176.870 0.117 0.000 1.077 408 L CA 1.358 56.294 54.840 0.161 0.000 0.773 408 L CB -0.849 41.276 42.059 0.109 0.000 0.892 408 L HN 0.076 nan 8.230 nan 0.000 0.436 409 V N -0.958 118.999 119.914 0.072 0.000 2.302 409 V HA -0.184 3.647 4.120 -0.483 0.000 0.243 409 V C 2.407 178.491 176.094 -0.016 0.000 1.036 409 V CA 1.274 63.588 62.300 0.025 0.000 1.020 409 V CB -0.024 31.805 31.823 0.011 0.000 0.657 409 V HN 0.151 nan 8.190 nan 0.000 0.453 410 V N -0.405 119.456 119.914 -0.088 0.000 2.287 410 V HA -0.254 3.576 4.120 -0.483 0.000 0.248 410 V C 2.205 178.152 176.094 -0.244 0.000 1.053 410 V CA 2.351 64.496 62.300 -0.259 0.000 1.027 410 V CB -0.690 30.829 31.823 -0.506 0.000 0.646 410 V HN 0.462 nan 8.190 nan 0.000 0.447 411 F N 0.859 120.874 119.950 0.108 0.000 2.234 411 F HA 0.155 4.391 4.527 -0.484 0.000 0.296 411 F C 2.387 178.224 175.800 0.062 0.000 1.089 411 F CA 0.945 58.999 58.000 0.090 0.000 1.343 411 F CB -1.408 37.632 39.000 0.066 0.000 1.040 411 F HN 0.165 nan 8.300 nan 0.000 0.498 412 G N 0.041 108.957 108.800 0.192 0.000 2.491 412 G HA2 -0.320 3.350 3.960 -0.483 0.000 0.218 412 G HA3 -0.320 3.350 3.960 -0.483 0.000 0.218 412 G C 1.853 176.799 174.900 0.077 0.000 1.180 412 G CA 1.020 46.184 45.100 0.108 0.000 0.774 412 G HN 0.239 nan 8.290 nan 0.000 0.562 413 R N 0.493 121.026 120.500 0.056 0.000 2.081 413 R HA -0.009 4.041 4.340 -0.483 0.000 0.235 413 R C 2.929 179.284 176.300 0.093 0.000 1.131 413 R CA 1.503 57.631 56.100 0.045 0.000 0.960 413 R CB -0.395 29.913 30.300 0.013 0.000 0.856 413 R HN 0.317 nan 8.270 nan 0.000 0.436 414 A N 0.684 123.581 122.820 0.128 0.000 1.877 414 A HA -0.125 3.905 4.320 -0.483 0.000 0.216 414 A C 2.358 180.053 177.584 0.185 0.000 1.186 414 A CA 1.726 53.874 52.037 0.185 0.000 0.620 414 A CB -0.836 18.241 19.000 0.128 0.000 0.822 414 A HN 0.533 nan 8.150 nan 0.000 0.443 415 A N -0.513 122.391 122.820 0.140 0.000 1.940 415 A HA 0.071 4.101 4.320 -0.483 0.000 0.219 415 A C 2.398 180.015 177.584 0.054 0.000 1.176 415 A CA 2.083 54.187 52.037 0.112 0.000 0.631 415 A CB -1.376 17.683 19.000 0.098 0.000 0.814 415 A HN 0.733 nan 8.150 nan 0.000 0.446 416 G N -0.312 108.514 108.800 0.043 0.000 2.404 416 G HA2 -0.138 3.532 3.960 -0.483 0.000 0.215 416 G HA3 -0.138 3.532 3.960 -0.483 0.000 0.215 416 G C 1.551 176.470 174.900 0.032 0.000 1.174 416 G CA 0.943 46.046 45.100 0.005 0.000 0.780 416 G HN 0.423 nan 8.290 nan 0.000 0.537 417 L N -0.404 120.872 121.223 0.088 0.000 2.079 417 L HA -0.098 3.952 4.340 -0.483 0.000 0.210 417 L C 2.352 179.208 176.870 -0.022 0.000 1.081 417 L CA 1.110 55.976 54.840 0.044 0.000 0.752 417 L CB -0.262 41.849 42.059 0.086 0.000 0.896 417 L HN 0.263 nan 8.230 nan 0.000 0.433 418 H N -2.068 117.010 119.070 0.013 0.000 2.551 418 H HA 0.047 4.313 4.556 -0.483 0.000 0.271 418 H C 1.560 176.904 175.328 0.027 0.000 0.984 418 H CA -0.140 55.923 56.048 0.025 0.000 1.164 418 H CB 0.428 30.214 29.762 0.041 0.000 1.437 418 H HN 0.046 nan 8.280 nan 0.000 0.550 419 L N 0.523 121.785 121.223 0.065 0.000 2.042 419 L HA -0.221 3.829 4.340 -0.483 0.000 0.210 419 L C 2.178 179.048 176.870 0.000 0.000 1.076 419 L CA 1.790 56.609 54.840 -0.035 0.000 0.749 419 L CB -0.282 41.689 42.059 -0.146 0.000 0.893 419 L HN 0.297 nan 8.230 nan 0.000 0.432 420 Q N -0.906 118.892 119.800 -0.003 0.000 2.061 420 Q HA -0.262 3.788 4.340 -0.483 0.000 0.204 420 Q C 2.142 178.161 176.000 0.031 0.000 0.984 420 Q CA 2.096 57.902 55.803 0.004 0.000 0.846 420 Q CB -0.073 28.658 28.738 -0.012 0.000 0.902 420 Q HN 0.600 nan 8.270 nan 0.000 0.421 421 E N -0.378 119.846 120.200 0.039 0.000 2.077 421 E HA -0.146 3.914 4.350 -0.483 0.000 0.193 421 E C 2.136 178.792 176.600 0.094 0.000 0.989 421 E CA 1.303 57.736 56.400 0.056 0.000 0.800 421 E CB 0.076 29.809 29.700 0.055 0.000 0.746 421 E HN 0.156 nan 8.360 nan 0.000 0.452 422 S N 0.677 116.467 115.700 0.151 0.000 2.368 422 S HA -0.125 4.055 4.470 -0.483 0.000 0.225 422 S C 2.021 176.746 174.600 0.208 0.000 1.030 422 S CA 0.830 59.163 58.200 0.222 0.000 0.999 422 S CB -0.156 63.313 63.200 0.448 0.000 0.844 422 S HN 0.192 nan 8.310 nan 0.000 0.459 423 I N 1.496 122.169 120.570 0.172 0.000 2.394 423 I HA -0.176 3.704 4.170 -0.483 0.000 0.251 423 I C 2.529 178.695 176.117 0.082 0.000 1.136 423 I CA 1.008 62.385 61.300 0.129 0.000 1.425 423 I CB -0.307 37.737 38.000 0.075 0.000 1.079 423 I HN 0.271 nan 8.210 nan 0.000 0.425 424 A N -0.013 122.846 122.820 0.064 0.000 1.930 424 A HA -0.196 3.834 4.320 -0.483 0.000 0.215 424 A C 2.316 179.925 177.584 0.041 0.000 1.176 424 A CA 1.367 53.429 52.037 0.042 0.000 0.632 424 A CB -0.465 18.554 19.000 0.030 0.000 0.819 424 A HN 0.475 nan 8.150 nan 0.000 0.445 425 E N 0.483 120.712 120.200 0.049 0.000 2.106 425 E HA -0.276 3.784 4.350 -0.483 0.000 0.192 425 E C 2.139 178.757 176.600 0.029 0.000 0.984 425 E CA 1.373 57.795 56.400 0.037 0.000 0.806 425 E CB -0.234 29.490 29.700 0.039 0.000 0.750 425 E HN 0.861 nan 8.360 nan 0.000 0.458 426 Q N 0.204 120.030 119.800 0.042 0.000 2.369 426 Q HA 0.050 4.100 4.340 -0.483 0.000 0.206 426 Q C 0.989 177.006 176.000 0.029 0.000 0.963 426 Q CA 0.757 56.578 55.803 0.030 0.000 0.894 426 Q CB -0.092 28.672 28.738 0.044 0.000 0.965 426 Q HN 0.234 nan 8.270 nan 0.000 0.475 427 G N 1.152 109.972 108.800 0.033 0.000 2.796 427 G HA2 -0.167 3.503 3.960 -0.483 0.000 0.226 427 G HA3 -0.167 3.503 3.960 -0.483 0.000 0.226 427 G C -0.291 174.628 174.900 0.031 0.000 1.381 427 G CA -0.274 44.842 45.100 0.027 0.000 0.867 427 G HN 0.881 nan 8.290 nan 0.000 0.552 428 A N -0.456 122.379 122.820 0.024 0.000 2.488 428 A HA 0.583 4.613 4.320 -0.483 0.000 0.249 428 A C 0.702 178.302 177.584 0.028 0.000 1.083 428 A CA 0.217 52.269 52.037 0.026 0.000 0.768 428 A CB -0.000 19.011 19.000 0.019 0.000 1.017 428 A HN 1.222 nan 8.150 nan 0.000 0.496 429 L N 3.064 124.309 121.223 0.036 0.000 2.289 429 L HA 0.427 4.477 4.340 -0.483 0.000 0.285 429 L C 0.977 177.869 176.870 0.037 0.000 1.049 429 L CA -0.576 54.287 54.840 0.039 0.000 0.804 429 L CB 1.015 43.106 42.059 0.053 0.000 1.195 429 L HN 0.863 nan 8.230 nan 0.000 0.428 430 R N 1.480 121.998 120.500 0.031 0.000 2.734 430 R HA 0.039 4.089 4.340 -0.483 0.000 0.266 430 R C -0.521 175.804 176.300 0.041 0.000 1.044 430 R CA -0.490 55.627 56.100 0.029 0.000 1.128 430 R CB 0.569 30.881 30.300 0.020 0.000 1.010 430 R HN 0.514 nan 8.270 nan 0.000 0.461 431 D N 1.197 121.622 120.400 0.042 0.000 2.382 431 D HA 0.127 4.478 4.640 -0.483 0.000 0.240 431 D C -0.445 175.888 176.300 0.054 0.000 1.146 431 D CA 0.314 54.351 54.000 0.062 0.000 0.897 431 D CB 1.096 41.929 40.800 0.054 0.000 1.197 431 D HN 0.617 nan 8.370 nan 0.000 0.432 432 A N 1.515 124.381 122.820 0.076 0.000 2.440 432 A HA 0.386 4.416 4.320 -0.483 0.000 0.251 432 A C 0.677 178.262 177.584 0.001 0.000 1.089 432 A CA -0.423 51.622 52.037 0.013 0.000 0.779 432 A CB 0.022 18.988 19.000 -0.057 0.000 1.022 432 A HN 0.518 nan 8.150 nan 0.000 0.492 433 S N 1.365 117.053 115.700 -0.020 0.000 2.600 433 S HA 0.179 4.359 4.470 -0.483 0.000 0.265 433 S C 0.972 175.548 174.600 -0.040 0.000 1.325 433 S CA 0.450 58.639 58.200 -0.018 0.000 1.002 433 S CB 0.845 64.034 63.200 -0.018 0.000 0.921 433 S HN 0.814 nan 8.310 nan 0.000 0.554 434 E N 1.495 121.680 120.200 -0.025 0.000 2.070 434 E HA -0.210 3.850 4.350 -0.483 0.000 0.197 434 E C 2.082 178.655 176.600 -0.044 0.000 1.004 434 E CA 2.262 58.644 56.400 -0.030 0.000 0.805 434 E CB -0.709 28.985 29.700 -0.011 0.000 0.744 434 E HN 0.808 nan 8.360 nan 0.000 0.451 435 S N -0.165 115.513 115.700 -0.036 0.000 2.402 435 S HA -0.159 4.021 4.470 -0.483 0.000 0.229 435 S C 1.587 176.156 174.600 -0.051 0.000 1.021 435 S CA 1.180 59.358 58.200 -0.036 0.000 0.974 435 S CB -0.390 62.795 63.200 -0.025 0.000 0.800 435 S HN 0.269 nan 8.310 nan 0.000 0.484 436 D N 1.590 121.951 120.400 -0.064 0.000 2.123 436 D HA -0.076 4.274 4.640 -0.483 0.000 0.196 436 D C 2.146 178.370 176.300 -0.127 0.000 0.992 436 D CA 1.379 55.328 54.000 -0.084 0.000 0.833 436 D CB -0.464 40.283 40.800 -0.088 0.000 0.954 436 D HN 0.391 nan 8.370 nan 0.000 0.455 437 V N 0.901 120.711 119.914 -0.175 0.000 2.307 437 V HA -0.192 3.638 4.120 -0.483 0.000 0.245 437 V C 2.446 178.470 176.094 -0.117 0.000 1.045 437 V CA 1.452 63.608 62.300 -0.240 0.000 1.024 437 V CB -0.419 31.224 31.823 -0.300 0.000 0.651 437 V HN 0.037 nan 8.190 nan 0.000 0.449 438 E N 0.793 120.949 120.200 -0.073 0.000 2.118 438 E HA -0.206 3.855 4.350 -0.483 0.000 0.195 438 E C 2.154 178.738 176.600 -0.026 0.000 0.992 438 E CA 1.552 57.931 56.400 -0.034 0.000 0.804 438 E CB -0.535 29.151 29.700 -0.024 0.000 0.741 438 E HN 0.531 nan 8.360 nan 0.000 0.458 439 A N -0.263 122.535 122.820 -0.036 0.000 1.940 439 A HA -0.193 3.837 4.320 -0.483 0.000 0.219 439 A C 2.342 179.919 177.584 -0.012 0.000 1.176 439 A CA 1.883 53.905 52.037 -0.024 0.000 0.631 439 A CB -0.658 18.324 19.000 -0.030 0.000 0.814 439 A HN 0.247 nan 8.150 nan 0.000 0.446 440 S N -0.681 115.007 115.700 -0.021 0.000 2.547 440 S HA 0.076 4.256 4.470 -0.483 0.000 0.235 440 S C 1.243 175.864 174.600 0.035 0.000 0.980 440 S CA 0.830 59.032 58.200 0.004 0.000 0.941 440 S CB -0.243 62.950 63.200 -0.013 0.000 0.763 440 S HN 0.532 nan 8.310 nan 0.000 0.532 441 L N 0.221 121.462 121.223 0.029 0.000 2.693 441 L HA 0.184 4.234 4.340 -0.483 0.000 0.235 441 L C 1.197 178.098 176.870 0.052 0.000 1.127 441 L CA -0.007 54.864 54.840 0.052 0.000 0.914 441 L CB -0.114 41.971 42.059 0.044 0.000 1.193 441 L HN 0.042 nan 8.230 nan 0.000 0.502 442 D N 1.034 121.455 120.400 0.034 0.000 2.123 442 D HA -0.211 4.139 4.640 -0.483 0.000 0.196 442 D C 2.135 178.455 176.300 0.034 0.000 0.992 442 D CA 1.200 55.213 54.000 0.021 0.000 0.833 442 D CB 0.069 40.871 40.800 0.003 0.000 0.954 442 D HN 0.205 nan 8.370 nan 0.000 0.455 443 R N 0.146 120.683 120.500 0.063 0.000 2.081 443 R HA -0.116 3.934 4.340 -0.483 0.000 0.235 443 R C 2.304 178.726 176.300 0.204 0.000 1.131 443 R CA 0.799 56.959 56.100 0.101 0.000 0.960 443 R CB -0.364 30.017 30.300 0.135 0.000 0.856 443 R HN 0.144 nan 8.270 nan 0.000 0.436 444 L N 1.439 122.781 121.223 0.198 0.000 2.093 444 L HA -0.120 3.930 4.340 -0.483 0.000 0.208 444 L C 1.388 178.363 176.870 0.175 0.000 1.085 444 L CA 1.804 56.775 54.840 0.218 0.000 0.755 444 L CB -0.557 41.589 42.059 0.145 0.000 0.904 444 L HN 0.190 nan 8.230 nan 0.000 0.435 445 N N -0.122 118.639 118.700 0.102 0.000 2.244 445 N HA -0.188 4.262 4.740 -0.483 0.000 0.183 445 N C 1.950 177.488 175.510 0.047 0.000 1.016 445 N CA 1.160 54.250 53.050 0.066 0.000 0.866 445 N CB -0.424 38.084 38.487 0.035 0.000 0.980 445 N HN 0.433 nan 8.380 nan 0.000 0.430 446 R N 0.088 120.593 120.500 0.008 0.000 2.073 446 R HA -0.134 3.916 4.340 -0.483 0.000 0.234 446 R C 1.911 178.167 176.300 -0.072 0.000 1.134 446 R CA 1.409 57.454 56.100 -0.091 0.000 0.952 446 R CB -0.314 29.862 30.300 -0.207 0.000 0.850 446 R HN 0.254 nan 8.270 nan 0.000 0.433 447 W N 1.281 122.574 121.300 -0.011 0.000 2.335 447 W HA -0.164 4.205 4.660 -0.484 0.000 0.311 447 W C 2.085 178.593 176.519 -0.018 0.000 1.213 447 W CA 0.788 58.123 57.345 -0.018 0.000 1.274 447 W CB -0.454 28.992 29.460 -0.025 0.000 1.148 447 W HN 0.207 nan 8.180 nan 0.000 0.498 448 N N -0.079 118.747 118.700 0.210 0.000 2.364 448 N HA -0.136 4.314 4.740 -0.483 0.000 0.183 448 N C 0.759 176.314 175.510 0.075 0.000 1.022 448 N CA 1.370 54.489 53.050 0.116 0.000 0.883 448 N CB -0.612 37.922 38.487 0.080 0.000 0.965 448 N HN 0.411 nan 8.380 nan 0.000 0.438 449 N N -0.392 118.341 118.700 0.056 0.000 2.322 449 N HA 0.014 4.464 4.740 -0.483 0.000 0.181 449 N C -0.103 175.416 175.510 0.014 0.000 1.088 449 N CA -0.126 52.939 53.050 0.025 0.000 0.885 449 N CB 0.313 38.803 38.487 0.006 0.000 1.013 449 N HN 0.048 nan 8.380 nan 0.000 0.472 450 N N 1.539 120.249 118.700 0.017 0.000 2.415 450 N HA 0.112 4.562 4.740 -0.483 0.000 0.246 450 N C 0.168 175.702 175.510 0.040 0.000 1.078 450 N CA 0.125 53.174 53.050 -0.002 0.000 0.942 450 N CB 0.486 38.928 38.487 -0.074 0.000 1.140 450 N HN 0.097 nan 8.380 nan 0.000 0.501 451 R N 2.353 122.868 120.500 0.025 0.000 2.250 451 R HA 0.194 4.244 4.340 -0.483 0.000 0.194 451 R C 0.225 176.539 176.300 0.024 0.000 0.927 451 R CA 0.327 56.447 56.100 0.032 0.000 1.052 451 R CB 0.207 30.521 30.300 0.022 0.000 1.055 451 R HN 0.495 nan 8.270 nan 0.000 0.537 452 N N 0.231 118.937 118.700 0.010 0.000 2.205 452 N HA 0.085 4.535 4.740 -0.483 0.000 0.201 452 N C 0.773 176.284 175.510 0.001 0.000 1.128 452 N CA 0.192 53.246 53.050 0.006 0.000 0.867 452 N CB 0.911 39.398 38.487 0.000 0.000 0.996 452 N HN 0.101 nan 8.380 nan 0.000 0.503 453 G N 0.177 108.975 108.800 -0.003 0.000 2.486 453 G HA2 0.080 3.751 3.960 -0.483 0.000 0.272 453 G HA3 0.080 3.751 3.960 -0.483 0.000 0.272 453 G C 0.058 174.962 174.900 0.006 0.000 1.426 453 G CA -0.343 44.749 45.100 -0.014 0.000 1.058 453 G HN 0.076 nan 8.290 nan 0.000 0.531 454 E N -0.233 119.969 120.200 0.002 0.000 2.390 454 E HA 0.043 4.103 4.350 -0.483 0.000 0.261 454 E C -0.596 176.036 176.600 0.054 0.000 1.076 454 E CA -0.345 56.068 56.400 0.021 0.000 0.905 454 E CB 0.744 30.451 29.700 0.011 0.000 0.984 454 E HN 0.314 nan 8.360 nan 0.000 0.427 455 D N 3.237 123.667 120.400 0.049 0.000 2.412 455 D HA -0.015 4.335 4.640 -0.483 0.000 0.257 455 D C -1.580 174.766 176.300 0.077 0.000 1.217 455 D CA -1.665 52.371 54.000 0.059 0.000 0.897 455 D CB 0.940 41.763 40.800 0.039 0.000 1.132 455 D HN 0.151 nan 8.370 nan 0.000 0.493 456 P HA -0.102 nan 4.420 nan 0.000 0.226 456 P C 1.503 178.844 177.300 0.067 0.000 1.153 456 P CA 0.232 63.410 63.100 0.129 0.000 0.777 456 P CB 0.456 32.253 31.700 0.162 0.000 0.794 457 V N 1.001 120.940 119.914 0.043 0.000 2.358 457 V HA -0.209 3.621 4.120 -0.483 0.000 0.246 457 V C 2.799 178.909 176.094 0.027 0.000 1.047 457 V CA 2.206 64.522 62.300 0.027 0.000 1.035 457 V CB -1.588 30.247 31.823 0.019 0.000 0.658 457 V HN 0.114 nan 8.190 nan 0.000 0.452 458 A N -0.209 122.628 122.820 0.030 0.000 1.898 458 A HA -0.143 3.887 4.320 -0.483 0.000 0.216 458 A C 2.180 179.778 177.584 0.023 0.000 1.181 458 A CA 1.740 53.791 52.037 0.023 0.000 0.620 458 A CB -0.501 18.512 19.000 0.023 0.000 0.819 458 A HN 0.495 nan 8.150 nan 0.000 0.442 459 I N -0.940 119.651 120.570 0.035 0.000 2.179 459 I HA -0.249 3.631 4.170 -0.483 0.000 0.242 459 I C 2.726 178.858 176.117 0.025 0.000 1.088 459 I CA 1.678 62.999 61.300 0.035 0.000 1.357 459 I CB -0.279 37.756 38.000 0.058 0.000 1.051 459 I HN 0.381 nan 8.210 nan 0.000 0.409 460 R N 1.492 122.010 120.500 0.029 0.000 2.081 460 R HA -0.196 3.854 4.340 -0.483 0.000 0.235 460 R C 2.233 178.533 176.300 0.001 0.000 1.131 460 R CA 1.588 57.698 56.100 0.016 0.000 0.960 460 R CB -0.063 30.249 30.300 0.019 0.000 0.856 460 R HN 0.273 nan 8.270 nan 0.000 0.436 461 K N 0.001 120.404 120.400 0.006 0.000 2.057 461 K HA -0.103 3.928 4.320 -0.483 0.000 0.207 461 K C 2.134 178.721 176.600 -0.021 0.000 1.049 461 K CA 1.508 57.794 56.287 -0.002 0.000 0.931 461 K CB -0.171 32.333 32.500 0.007 0.000 0.714 461 K HN 0.238 nan 8.250 nan 0.000 0.440 462 A N 1.677 124.488 122.820 -0.016 0.000 1.902 462 A HA -0.152 3.878 4.320 -0.483 0.000 0.217 462 A C 2.127 179.688 177.584 -0.040 0.000 1.181 462 A CA 1.162 53.183 52.037 -0.028 0.000 0.623 462 A CB -0.644 18.351 19.000 -0.009 0.000 0.818 462 A HN 0.330 nan 8.150 nan 0.000 0.443 463 L N -0.626 120.579 121.223 -0.031 0.000 1.989 463 L HA -0.291 3.759 4.340 -0.483 0.000 0.211 463 L C 2.724 179.540 176.870 -0.090 0.000 1.071 463 L CA 2.228 57.039 54.840 -0.049 0.000 0.749 463 L CB -0.513 41.522 42.059 -0.041 0.000 0.890 463 L HN 0.488 nan 8.230 nan 0.000 0.431 464 Q N -0.434 119.315 119.800 -0.085 0.000 2.096 464 Q HA -0.308 3.742 4.340 -0.483 0.000 0.204 464 Q C 2.121 178.075 176.000 -0.077 0.000 0.982 464 Q CA 2.165 57.911 55.803 -0.095 0.000 0.850 464 Q CB -0.208 28.505 28.738 -0.042 0.000 0.901 464 Q HN 0.602 nan 8.270 nan 0.000 0.422 465 E N 0.059 120.202 120.200 -0.095 0.000 2.077 465 E HA -0.232 3.828 4.350 -0.483 0.000 0.193 465 E C 2.115 178.561 176.600 -0.257 0.000 0.989 465 E CA 1.205 57.483 56.400 -0.204 0.000 0.800 465 E CB -0.148 29.401 29.700 -0.253 0.000 0.746 465 E HN 0.397 nan 8.360 nan 0.000 0.452 466 C N 0.585 119.805 119.300 -0.134 0.000 2.413 466 C HA -0.147 4.023 4.460 -0.483 0.000 0.276 466 C C 2.631 177.687 174.990 0.109 0.000 1.248 466 C CA 0.885 59.889 59.018 -0.024 0.000 1.742 466 C CB -0.780 26.978 27.740 0.030 0.000 2.017 466 C HN 0.513 nan 8.230 nan 0.000 0.481 467 M N 0.004 119.621 119.600 0.028 0.000 2.132 467 M HA -0.088 4.102 4.480 -0.483 0.000 0.263 467 M C 2.092 178.536 176.300 0.240 0.000 1.065 467 M CA 1.574 56.884 55.300 0.016 0.000 1.122 467 M CB -1.817 30.400 32.600 -0.637 0.000 1.365 467 M HN 0.434 nan 8.290 nan 0.000 0.411 468 Q N 0.003 119.951 119.800 0.247 0.000 2.061 468 Q HA -0.149 3.901 4.340 -0.483 0.000 0.204 468 Q C 1.956 178.177 176.000 0.368 0.000 0.984 468 Q CA 1.892 57.937 55.803 0.403 0.000 0.846 468 Q CB -0.322 28.619 28.738 0.339 0.000 0.902 468 Q HN 0.651 nan 8.270 nan 0.000 0.421 469 H N -1.321 117.812 119.070 0.105 0.000 2.395 469 H HA 0.036 4.304 4.556 -0.481 0.000 0.299 469 H C 0.984 176.298 175.328 -0.022 0.000 1.070 469 H CA 0.952 57.025 56.048 0.042 0.000 1.356 469 H CB 0.399 30.177 29.762 0.028 0.000 1.401 469 H HN 0.295 nan 8.280 nan 0.000 0.524 470 N N -0.385 118.345 118.700 0.051 0.000 2.227 470 N HA 0.017 4.467 4.740 -0.483 0.000 0.196 470 N C -0.288 174.774 175.510 -0.746 0.000 1.142 470 N CA 0.360 53.188 53.050 -0.370 0.000 0.887 470 N CB 0.807 38.962 38.487 -0.553 0.000 1.022 470 N HN 0.188 nan 8.380 nan 0.000 0.500 471 F N -0.064 119.986 119.950 0.167 0.000 2.811 471 F HA 0.343 4.581 4.527 -0.482 0.000 0.342 471 F C 1.005 176.995 175.800 0.317 0.000 1.203 471 F CA -0.521 57.607 58.000 0.214 0.000 1.173 471 F CB 0.239 39.338 39.000 0.165 0.000 1.094 471 F HN -0.231 nan 8.300 nan 0.000 0.510 472 S N -0.481 115.345 115.700 0.210 0.000 2.397 472 S HA 0.299 4.479 4.470 -0.483 0.000 0.261 472 S C 1.723 176.016 174.600 -0.512 0.000 1.187 472 S CA -0.065 58.039 58.200 -0.161 0.000 1.023 472 S CB 0.474 63.583 63.200 -0.151 0.000 1.103 472 S HN -0.058 nan 8.310 nan 0.000 0.474 473 V N 0.391 119.763 119.914 -0.904 0.000 2.287 473 V HA 0.001 3.832 4.120 -0.483 0.000 0.248 473 V C 0.339 175.997 176.094 -0.727 0.000 1.053 473 V CA 1.490 63.267 62.300 -0.871 0.000 1.027 473 V CB -0.713 30.594 31.823 -0.859 0.000 0.646 473 V HN 0.552 nan 8.190 nan 0.000 0.447 474 F N -0.410 119.378 119.950 -0.270 0.000 2.469 474 F HA 0.666 4.884 4.527 -0.516 0.000 0.332 474 F C 0.432 176.099 175.800 -0.221 0.000 1.103 474 F CA -0.825 56.999 58.000 -0.292 0.000 0.979 474 F CB 1.205 40.091 39.000 -0.190 0.000 1.137 474 F HN -0.151 nan 8.300 nan 0.000 0.463 475 R N 1.389 121.831 120.500 -0.096 0.000 2.750 475 R HA 0.538 4.588 4.340 -0.483 0.000 0.281 475 R C -1.107 175.180 176.300 -0.022 0.000 0.972 475 R CA -1.105 54.950 56.100 -0.075 0.000 0.912 475 R CB 2.722 32.968 30.300 -0.091 0.000 1.187 475 R HN 0.768 nan 8.270 nan 0.000 0.464 476 E N 0.370 120.587 120.200 0.028 0.000 2.266 476 E HA 0.360 4.421 4.350 -0.483 0.000 0.268 476 E C 0.147 176.776 176.600 0.048 0.000 0.879 476 E CA -0.954 55.500 56.400 0.090 0.000 0.762 476 E CB 1.833 31.604 29.700 0.118 0.000 1.199 476 E HN 0.566 nan 8.360 nan 0.000 0.422 477 G N 2.997 111.850 108.800 0.088 0.000 2.459 477 G HA2 -0.290 3.380 3.960 -0.483 0.000 0.217 477 G HA3 -0.290 3.380 3.960 -0.483 0.000 0.217 477 G C 0.769 175.716 174.900 0.078 0.000 1.183 477 G CA 1.170 46.337 45.100 0.112 0.000 0.776 477 G HN 0.643 nan 8.290 nan 0.000 0.552 478 D N 1.017 121.450 120.400 0.056 0.000 2.097 478 D HA -0.035 4.315 4.640 -0.483 0.000 0.195 478 D C 2.826 179.140 176.300 0.022 0.000 0.989 478 D CA 1.398 55.423 54.000 0.042 0.000 0.827 478 D CB -0.637 40.181 40.800 0.030 0.000 0.966 478 D HN 0.304 nan 8.370 nan 0.000 0.456 479 A N 0.442 123.258 122.820 -0.006 0.000 1.972 479 A HA -0.149 3.881 4.320 -0.483 0.000 0.219 479 A C 2.240 179.752 177.584 -0.121 0.000 1.169 479 A CA 1.247 53.255 52.037 -0.048 0.000 0.635 479 A CB -0.504 18.458 19.000 -0.063 0.000 0.810 479 A HN 0.160 nan 8.150 nan 0.000 0.446 480 M N -0.853 118.665 119.600 -0.136 0.000 2.200 480 M HA -0.098 4.092 4.480 -0.483 0.000 0.265 480 M C 2.561 178.925 176.300 0.106 0.000 1.066 480 M CA 1.277 56.478 55.300 -0.166 0.000 1.127 480 M CB -0.417 32.170 32.600 -0.022 0.000 1.379 480 M HN 0.489 nan 8.290 nan 0.000 0.420 481 A N 0.570 123.449 122.820 0.098 0.000 1.902 481 A HA -0.210 3.820 4.320 -0.483 0.000 0.217 481 A C 2.134 179.785 177.584 0.111 0.000 1.181 481 A CA 2.013 54.122 52.037 0.120 0.000 0.623 481 A CB -0.583 18.478 19.000 0.101 0.000 0.818 481 A HN 0.460 nan 8.150 nan 0.000 0.443 482 K N -0.647 119.801 120.400 0.079 0.000 2.062 482 K HA -0.026 4.004 4.320 -0.483 0.000 0.205 482 K C 2.041 178.703 176.600 0.104 0.000 1.051 482 K CA 1.224 57.556 56.287 0.076 0.000 0.941 482 K CB -0.558 31.973 32.500 0.050 0.000 0.719 482 K HN 0.329 nan 8.250 nan 0.000 0.440 483 G N 1.874 110.743 108.800 0.115 0.000 2.476 483 G HA2 -0.287 3.383 3.960 -0.483 0.000 0.218 483 G HA3 -0.287 3.383 3.960 -0.483 0.000 0.218 483 G C 1.386 176.455 174.900 0.282 0.000 1.164 483 G CA 1.029 46.266 45.100 0.228 0.000 0.768 483 G HN 0.308 nan 8.290 nan 0.000 0.560 484 L N 0.695 122.094 121.223 0.294 0.000 2.012 484 L HA -0.053 3.997 4.340 -0.483 0.000 0.210 484 L C 2.652 179.615 176.870 0.155 0.000 1.073 484 L CA 2.096 57.040 54.840 0.172 0.000 0.748 484 L CB -0.570 41.566 42.059 0.129 0.000 0.891 484 L HN 0.142 nan 8.230 nan 0.000 0.431 485 E N -0.330 119.953 120.200 0.138 0.000 2.085 485 E HA -0.263 3.798 4.350 -0.483 0.000 0.194 485 E C 2.180 178.846 176.600 0.110 0.000 0.994 485 E CA 1.440 57.911 56.400 0.119 0.000 0.801 485 E CB -0.334 29.422 29.700 0.094 0.000 0.743 485 E HN 0.676 nan 8.360 nan 0.000 0.453 486 Q N 0.186 120.050 119.800 0.107 0.000 2.096 486 Q HA -0.113 3.937 4.340 -0.483 0.000 0.204 486 Q C 2.481 178.536 176.000 0.091 0.000 0.982 486 Q CA 1.070 56.926 55.803 0.088 0.000 0.850 486 Q CB -0.190 28.598 28.738 0.083 0.000 0.901 486 Q HN 0.264 nan 8.270 nan 0.000 0.422 487 L N 0.502 121.799 121.223 0.123 0.000 2.083 487 L HA -0.214 3.836 4.340 -0.483 0.000 0.209 487 L C 2.297 179.254 176.870 0.145 0.000 1.083 487 L CA 1.194 56.115 54.840 0.134 0.000 0.752 487 L CB -0.339 41.820 42.059 0.167 0.000 0.899 487 L HN 0.161 nan 8.230 nan 0.000 0.433 488 K N -0.390 120.117 120.400 0.177 0.000 2.063 488 K HA -0.151 3.879 4.320 -0.483 0.000 0.208 488 K C 2.024 178.648 176.600 0.040 0.000 1.048 488 K CA 1.297 57.653 56.287 0.115 0.000 0.928 488 K CB -0.200 32.387 32.500 0.145 0.000 0.713 488 K HN 0.131 nan 8.250 nan 0.000 0.442 489 V N 1.599 121.542 119.914 0.048 0.000 2.307 489 V HA -0.225 3.605 4.120 -0.483 0.000 0.245 489 V C 2.173 178.275 176.094 0.012 0.000 1.045 489 V CA 1.557 63.873 62.300 0.026 0.000 1.024 489 V CB -0.374 31.467 31.823 0.031 0.000 0.651 489 V HN 0.251 nan 8.190 nan 0.000 0.449 490 I N -0.281 120.302 120.570 0.022 0.000 2.163 490 I HA -0.258 3.623 4.170 -0.483 0.000 0.243 490 I C 2.779 178.895 176.117 -0.002 0.000 1.085 490 I CA 1.684 62.992 61.300 0.014 0.000 1.347 490 I CB -0.482 37.531 38.000 0.022 0.000 1.044 490 I HN 0.196 nan 8.210 nan 0.000 0.408 491 R N 0.826 121.319 120.500 -0.013 0.000 2.105 491 R HA -0.187 3.863 4.340 -0.483 0.000 0.239 491 R C 2.065 178.325 176.300 -0.066 0.000 1.135 491 R CA 1.400 57.468 56.100 -0.053 0.000 0.967 491 R CB -0.083 30.146 30.300 -0.118 0.000 0.861 491 R HN 0.355 nan 8.270 nan 0.000 0.442 492 E N 0.402 120.570 120.200 -0.053 0.000 2.072 492 E HA -0.161 3.900 4.350 -0.483 0.000 0.191 492 E C 2.100 178.667 176.600 -0.054 0.000 0.985 492 E CA 0.993 57.360 56.400 -0.055 0.000 0.801 492 E CB -0.121 29.556 29.700 -0.038 0.000 0.750 492 E HN 0.368 nan 8.360 nan 0.000 0.452 493 R N 0.349 120.827 120.500 -0.036 0.000 2.096 493 R HA -0.123 3.927 4.340 -0.483 0.000 0.235 493 R C 2.391 178.660 176.300 -0.052 0.000 1.127 493 R CA 0.766 56.846 56.100 -0.033 0.000 0.968 493 R CB -0.374 29.920 30.300 -0.011 0.000 0.861 493 R HN 0.063 nan 8.270 nan 0.000 0.440 494 L N 1.671 122.865 121.223 -0.048 0.000 2.131 494 L HA -0.156 3.894 4.340 -0.483 0.000 0.210 494 L C 1.538 178.294 176.870 -0.189 0.000 1.092 494 L CA 1.799 56.602 54.840 -0.062 0.000 0.759 494 L CB -0.254 41.803 42.059 -0.005 0.000 0.903 494 L HN -0.022 nan 8.230 nan 0.000 0.435 495 K N -0.858 119.440 120.400 -0.170 0.000 2.280 495 K HA -0.137 3.893 4.320 -0.483 0.000 0.202 495 K C 0.930 177.385 176.600 -0.242 0.000 1.047 495 K CA 1.117 57.275 56.287 -0.215 0.000 0.942 495 K CB -0.114 32.298 32.500 -0.146 0.000 0.739 495 K HN 0.257 nan 8.250 nan 0.000 0.457 496 N N 0.066 118.650 118.700 -0.192 0.000 2.328 496 N HA 0.133 4.583 4.740 -0.483 0.000 0.247 496 N C -1.342 174.072 175.510 -0.161 0.000 1.165 496 N CA -0.251 52.701 53.050 -0.163 0.000 0.873 496 N CB 0.637 39.067 38.487 -0.095 0.000 1.125 496 N HN 0.049 nan 8.380 nan 0.000 0.513 497 A N 0.832 123.496 122.820 -0.259 0.000 2.327 497 A HA 0.506 4.536 4.320 -0.483 0.000 0.283 497 A C 0.380 177.910 177.584 -0.090 0.000 1.127 497 A CA -0.653 51.298 52.037 -0.143 0.000 0.810 497 A CB 0.337 19.297 19.000 -0.065 0.000 1.066 497 A HN 0.538 nan 8.150 nan 0.000 0.492 498 R N 1.261 121.830 120.500 0.116 0.000 2.500 498 R HA 0.636 4.686 4.340 -0.483 0.000 0.275 498 R C -1.050 175.460 176.300 0.351 0.000 1.051 498 R CA -0.666 55.535 56.100 0.169 0.000 1.088 498 R CB 0.646 31.002 30.300 0.093 0.000 1.063 498 R HN 0.461 nan 8.270 nan 0.000 0.511 499 L N 2.416 123.823 121.223 0.306 0.000 2.294 499 L HA 0.296 4.346 4.340 -0.483 0.000 0.283 499 L C -0.423 176.505 176.870 0.097 0.000 1.015 499 L CA -0.035 54.931 54.840 0.211 0.000 0.831 499 L CB 1.502 43.700 42.059 0.231 0.000 1.217 499 L HN 0.724 nan 8.230 nan 0.000 0.420 500 D N 1.733 122.165 120.400 0.053 0.000 2.349 500 D HA 0.034 4.384 4.640 -0.483 0.000 0.215 500 D C -0.451 175.857 176.300 0.013 0.000 1.016 500 D CA 0.633 54.652 54.000 0.032 0.000 0.870 500 D CB 0.372 41.186 40.800 0.024 0.000 0.917 500 D HN 0.583 nan 8.370 nan 0.000 0.524 501 D N -0.658 119.742 120.400 -0.000 0.000 2.471 501 D HA 0.101 4.451 4.640 -0.483 0.000 0.245 501 D C 0.309 176.603 176.300 -0.011 0.000 1.116 501 D CA -0.231 53.763 54.000 -0.010 0.000 0.853 501 D CB 1.513 42.297 40.800 -0.026 0.000 1.123 501 D HN -0.307 nan 8.370 nan 0.000 0.540 502 T N 1.346 115.900 114.554 -0.001 0.000 3.086 502 T HA 0.111 4.171 4.350 -0.483 0.000 0.250 502 T C 0.668 175.364 174.700 -0.006 0.000 1.074 502 T CA 0.219 62.321 62.100 0.003 0.000 0.988 502 T CB -0.150 68.726 68.868 0.013 0.000 0.988 502 T HN 0.478 nan 8.240 nan 0.000 0.530 503 S N 0.591 116.285 115.700 -0.010 0.000 2.596 503 S HA 0.229 4.410 4.470 -0.483 0.000 0.260 503 S C 1.450 176.038 174.600 -0.020 0.000 1.336 503 S CA 0.062 58.257 58.200 -0.009 0.000 0.993 503 S CB 1.224 64.423 63.200 -0.002 0.000 0.923 503 S HN 0.358 nan 8.310 nan 0.000 0.567 504 S N -1.071 114.621 115.700 -0.015 0.000 2.539 504 S HA 0.205 4.386 4.470 -0.483 0.000 0.226 504 S C 0.219 174.802 174.600 -0.028 0.000 1.054 504 S CA -0.205 57.978 58.200 -0.028 0.000 0.910 504 S CB -0.439 62.751 63.200 -0.018 0.000 0.818 504 S HN 0.759 nan 8.310 nan 0.000 0.490 505 E N 1.396 121.598 120.200 0.005 0.000 2.052 505 E HA 0.415 4.475 4.350 -0.483 0.000 0.283 505 E C -0.855 175.812 176.600 0.112 0.000 1.071 505 E CA -0.683 55.743 56.400 0.044 0.000 0.851 505 E CB -0.514 29.218 29.700 0.052 0.000 1.066 505 E HN 0.284 nan 8.360 nan 0.000 0.396 506 F N 3.423 123.336 119.950 -0.061 0.000 2.943 506 F HA -0.291 3.945 4.527 -0.483 0.000 0.258 506 F C -0.232 175.527 175.800 -0.069 0.000 0.995 506 F CA 0.406 58.367 58.000 -0.064 0.000 0.896 506 F CB -0.439 38.533 39.000 -0.047 0.000 0.821 506 F HN 0.465 nan 8.300 nan 0.000 0.828 507 N N 1.328 119.980 118.700 -0.080 0.000 2.482 507 N HA 0.118 4.568 4.740 -0.483 0.000 0.242 507 N C 1.182 176.602 175.510 -0.149 0.000 1.100 507 N CA 0.573 53.578 53.050 -0.075 0.000 0.946 507 N CB 0.887 39.319 38.487 -0.092 0.000 1.227 507 N HN 0.378 nan 8.380 nan 0.000 0.508 508 T N 0.583 115.093 114.554 -0.075 0.000 3.055 508 T HA -0.119 3.941 4.350 -0.483 0.000 0.265 508 T C 1.444 176.047 174.700 -0.161 0.000 1.111 508 T CA 0.681 62.712 62.100 -0.116 0.000 1.118 508 T CB 0.113 68.979 68.868 -0.003 0.000 0.909 508 T HN 0.392 nan 8.240 nan 0.000 0.501 509 Q N 1.911 121.626 119.800 -0.141 0.000 2.046 509 Q HA 0.002 4.052 4.340 -0.483 0.000 0.200 509 Q C 2.468 178.302 176.000 -0.276 0.000 0.975 509 Q CA 1.519 57.220 55.803 -0.170 0.000 0.836 509 Q CB -0.382 28.287 28.738 -0.114 0.000 0.896 509 Q HN 0.611 nan 8.270 nan 0.000 0.428 510 R N -0.679 119.657 120.500 -0.273 0.000 2.091 510 R HA -0.132 3.918 4.340 -0.483 0.000 0.238 510 R C 1.958 177.961 176.300 -0.494 0.000 1.136 510 R CA 1.686 57.571 56.100 -0.358 0.000 0.959 510 R CB -0.334 29.817 30.300 -0.248 0.000 0.856 510 R HN 0.266 nan 8.270 nan 0.000 0.437 511 V N 1.325 120.959 119.914 -0.467 0.000 2.295 511 V HA -0.229 3.601 4.120 -0.483 0.000 0.246 511 V C 2.039 177.809 176.094 -0.539 0.000 1.049 511 V CA 2.184 64.103 62.300 -0.634 0.000 1.024 511 V CB -0.473 31.034 31.823 -0.526 0.000 0.648 511 V HN 0.442 nan 8.190 nan 0.000 0.447 512 E N -1.024 118.948 120.200 -0.380 0.000 2.152 512 E HA -0.168 3.892 4.350 -0.483 0.000 0.192 512 E C 2.242 178.627 176.600 -0.358 0.000 0.983 512 E CA 1.399 57.632 56.400 -0.279 0.000 0.818 512 E CB -0.241 29.347 29.700 -0.188 0.000 0.758 512 E HN 0.612 nan 8.360 nan 0.000 0.467 513 C N 0.651 119.597 119.300 -0.590 0.000 2.432 513 C HA -0.102 4.068 4.460 -0.483 0.000 0.277 513 C C 2.564 176.995 174.990 -0.933 0.000 1.249 513 C CA 0.431 58.816 59.018 -1.054 0.000 1.725 513 C CB -0.893 25.722 27.740 -1.876 0.000 2.028 513 C HN 0.394 nan 8.230 nan 0.000 0.477 514 L N 0.732 121.489 121.223 -0.776 0.000 2.042 514 L HA -0.199 3.851 4.340 -0.483 0.000 0.210 514 L C 2.622 179.462 176.870 -0.049 0.000 1.076 514 L CA 1.685 56.332 54.840 -0.322 0.000 0.749 514 L CB -0.785 41.084 42.059 -0.318 0.000 0.893 514 L HN 0.439 nan 8.230 nan 0.000 0.432 515 E N -0.119 120.020 120.200 -0.102 0.000 2.118 515 E HA -0.278 3.782 4.350 -0.483 0.000 0.195 515 E C 2.119 178.742 176.600 0.037 0.000 0.992 515 E CA 1.200 57.622 56.400 0.036 0.000 0.804 515 E CB -0.248 29.457 29.700 0.009 0.000 0.741 515 E HN 0.264 nan 8.360 nan 0.000 0.458 516 L N 1.813 123.034 121.223 -0.004 0.000 2.079 516 L HA -0.198 3.852 4.340 -0.483 0.000 0.210 516 L C 1.491 178.435 176.870 0.124 0.000 1.081 516 L CA 1.874 56.748 54.840 0.057 0.000 0.752 516 L CB -0.391 41.707 42.059 0.065 0.000 0.896 516 L HN -0.006 nan 8.230 nan 0.000 0.433 517 D N -0.310 120.209 120.400 0.198 0.000 2.158 517 D HA -0.188 4.162 4.640 -0.483 0.000 0.197 517 D C 1.749 178.120 176.300 0.118 0.000 0.995 517 D CA 1.338 55.454 54.000 0.192 0.000 0.846 517 D CB -0.222 40.732 40.800 0.258 0.000 0.941 517 D HN 0.490 nan 8.370 nan 0.000 0.456 518 N N 0.386 119.151 118.700 0.109 0.000 2.300 518 N HA -0.009 4.441 4.740 -0.483 0.000 0.179 518 N C 2.205 177.749 175.510 0.057 0.000 1.016 518 N CA 0.116 53.215 53.050 0.082 0.000 0.876 518 N CB -0.183 38.357 38.487 0.089 0.000 0.979 518 N HN 0.246 nan 8.380 nan 0.000 0.432 519 L N 0.403 121.654 121.223 0.047 0.000 2.042 519 L HA -0.173 3.877 4.340 -0.483 0.000 0.210 519 L C 2.435 179.307 176.870 0.002 0.000 1.076 519 L CA 1.143 55.992 54.840 0.013 0.000 0.749 519 L CB -0.304 41.756 42.059 0.002 0.000 0.893 519 L HN 0.142 nan 8.230 nan 0.000 0.432 520 M N -0.296 119.320 119.600 0.026 0.000 2.132 520 M HA -0.162 4.028 4.480 -0.483 0.000 0.263 520 M C 2.147 178.468 176.300 0.036 0.000 1.065 520 M CA 1.725 57.039 55.300 0.023 0.000 1.122 520 M CB -0.343 32.275 32.600 0.030 0.000 1.365 520 M HN 0.055 nan 8.290 nan 0.000 0.411 521 E N -0.656 119.570 120.200 0.042 0.000 2.072 521 E HA -0.126 3.934 4.350 -0.483 0.000 0.191 521 E C 2.037 178.658 176.600 0.035 0.000 0.985 521 E CA 1.939 58.373 56.400 0.056 0.000 0.801 521 E CB -0.829 28.909 29.700 0.063 0.000 0.750 521 E HN 0.540 nan 8.360 nan 0.000 0.452 522 T N 1.586 116.155 114.554 0.025 0.000 2.708 522 T HA -0.123 3.937 4.350 -0.483 0.000 0.266 522 T C 2.024 176.709 174.700 -0.026 0.000 1.037 522 T CA 1.653 63.768 62.100 0.024 0.000 1.146 522 T CB -0.305 68.609 68.868 0.076 0.000 0.865 522 T HN 0.277 nan 8.240 nan 0.000 0.435 523 A N 0.536 123.311 122.820 -0.075 0.000 1.908 523 A HA -0.132 3.898 4.320 -0.483 0.000 0.218 523 A C 2.132 179.589 177.584 -0.212 0.000 1.181 523 A CA 1.702 53.626 52.037 -0.190 0.000 0.627 523 A CB -1.102 17.784 19.000 -0.191 0.000 0.818 523 A HN 0.582 nan 8.150 nan 0.000 0.445 524 Y N 0.436 120.601 120.300 -0.225 0.000 2.145 524 Y HA -0.072 4.188 4.550 -0.482 0.000 0.286 524 Y C 2.687 178.354 175.900 -0.388 0.000 1.145 524 Y CA 1.323 59.276 58.100 -0.245 0.000 1.148 524 Y CB -0.463 37.908 38.460 -0.149 0.000 0.981 524 Y HN 0.310 nan 8.280 nan 0.000 0.507 525 A N -0.934 121.626 122.820 -0.434 0.000 1.933 525 A HA -0.170 3.860 4.320 -0.483 0.000 0.218 525 A C 2.218 179.508 177.584 -0.490 0.000 1.175 525 A CA 2.150 53.692 52.037 -0.826 0.000 0.628 525 A CB -1.312 17.279 19.000 -0.681 0.000 0.814 525 A HN 0.491 nan 8.150 nan 0.000 0.444 526 T N 0.352 114.737 114.554 -0.281 0.000 2.720 526 T HA -0.098 3.962 4.350 -0.483 0.000 0.268 526 T C 2.178 176.662 174.700 -0.360 0.000 1.037 526 T CA 1.800 63.805 62.100 -0.159 0.000 1.144 526 T CB -0.411 68.449 68.868 -0.013 0.000 0.864 526 T HN 0.605 nan 8.240 nan 0.000 0.444 527 A N 0.648 123.082 122.820 -0.643 0.000 1.929 527 A HA 0.035 4.065 4.320 -0.483 0.000 0.216 527 A C 2.574 179.942 177.584 -0.361 0.000 1.176 527 A CA 1.034 52.538 52.037 -0.888 0.000 0.628 527 A CB -0.775 17.636 19.000 -0.981 0.000 0.816 527 A HN 0.356 nan 8.150 nan 0.000 0.444 528 V N -0.020 119.641 119.914 -0.422 0.000 2.307 528 V HA -0.206 3.624 4.120 -0.483 0.000 0.245 528 V C 2.773 178.836 176.094 -0.052 0.000 1.045 528 V CA 2.289 64.445 62.300 -0.240 0.000 1.024 528 V CB -0.894 30.742 31.823 -0.311 0.000 0.651 528 V HN 0.543 nan 8.190 nan 0.000 0.449 529 S N 0.520 116.169 115.700 -0.085 0.000 2.359 529 S HA -0.208 3.972 4.470 -0.483 0.000 0.224 529 S C 2.219 176.866 174.600 0.079 0.000 1.035 529 S CA 1.553 59.780 58.200 0.044 0.000 1.018 529 S CB -0.560 62.640 63.200 0.001 0.000 0.876 529 S HN 0.656 nan 8.310 nan 0.000 0.448 530 A N 2.362 125.222 122.820 0.066 0.000 1.930 530 A HA -0.111 3.919 4.320 -0.483 0.000 0.217 530 A C 1.961 179.697 177.584 0.254 0.000 1.175 530 A CA 1.258 53.402 52.037 0.179 0.000 0.627 530 A CB -0.649 18.610 19.000 0.432 0.000 0.815 530 A HN 0.494 nan 8.150 nan 0.000 0.443 531 N N -1.289 117.564 118.700 0.255 0.000 2.166 531 N HA -0.148 4.303 4.740 -0.483 0.000 0.186 531 N C 1.552 177.171 175.510 0.182 0.000 1.019 531 N CA 1.551 54.737 53.050 0.227 0.000 0.856 531 N CB -0.294 38.320 38.487 0.211 0.000 0.993 531 N HN 0.524 nan 8.380 nan 0.000 0.426 532 F N 2.103 122.054 119.950 0.001 0.000 2.113 532 F HA -0.013 4.224 4.527 -0.483 0.000 0.297 532 F C 1.268 176.939 175.800 -0.216 0.000 1.103 532 F CA 0.899 58.897 58.000 -0.003 0.000 1.248 532 F CB -0.248 38.785 39.000 0.055 0.000 0.999 532 F HN -0.224 nan 8.300 nan 0.000 0.475 533 R N 1.412 121.591 120.500 -0.534 0.000 2.357 533 R HA 0.084 4.134 4.340 -0.483 0.000 0.330 533 R C -0.434 175.315 176.300 -0.917 0.000 1.102 533 R CA 0.478 55.813 56.100 -1.274 0.000 0.974 533 R CB -0.368 29.347 30.300 -0.975 0.000 1.002 533 R HN 0.276 nan 8.270 nan 0.000 0.463 534 T N 1.790 115.598 114.554 -1.243 0.000 3.855 534 T HA 0.211 4.272 4.350 -0.483 0.000 0.306 534 T C -0.275 173.912 174.700 -0.854 0.000 1.575 534 T CA -0.572 60.905 62.100 -1.038 0.000 1.214 534 T CB -0.331 67.771 68.868 -1.276 0.000 1.262 534 T HN 0.770 nan 8.240 nan 0.000 0.883 535 E N -0.480 119.428 120.200 -0.488 0.000 2.435 535 E HA 0.576 4.636 4.350 -0.483 0.000 0.277 535 E C -1.608 174.977 176.600 -0.025 0.000 1.106 535 E CA -1.236 55.075 56.400 -0.147 0.000 0.868 535 E CB 0.558 30.145 29.700 -0.189 0.000 1.454 535 E HN 0.057 nan 8.360 nan 0.000 0.452 536 S N -0.005 115.709 115.700 0.023 0.000 2.478 536 S HA 0.626 4.807 4.470 -0.483 0.000 0.312 536 S C -0.914 173.722 174.600 0.060 0.000 1.094 536 S CA -0.750 57.452 58.200 0.003 0.000 1.081 536 S CB 1.002 64.180 63.200 -0.036 0.000 1.007 536 S HN 0.469 nan 8.310 nan 0.000 0.475 537 R N 1.724 122.283 120.500 0.099 0.000 2.522 537 R HA 0.542 4.593 4.340 -0.483 0.000 0.283 537 R C 0.773 177.139 176.300 0.111 0.000 1.074 537 R CA 0.272 56.434 56.100 0.105 0.000 0.925 537 R CB 0.920 31.281 30.300 0.103 0.000 1.205 537 R HN 0.885 nan 8.270 nan 0.000 0.436 538 G N 2.523 111.380 108.800 0.095 0.000 2.672 538 G HA2 -0.470 3.200 3.960 -0.483 0.000 0.324 538 G HA3 -0.470 3.200 3.960 -0.483 0.000 0.324 538 G C 0.753 175.703 174.900 0.082 0.000 1.286 538 G CA 0.721 45.876 45.100 0.092 0.000 1.004 538 G HN 0.865 nan 8.290 nan 0.000 0.548 539 A N -0.338 122.550 122.820 0.113 0.000 2.206 539 A HA 0.340 4.370 4.320 -0.483 0.000 0.211 539 A C 1.118 178.789 177.584 0.144 0.000 1.158 539 A CA 1.792 53.904 52.037 0.125 0.000 0.761 539 A CB -0.304 18.815 19.000 0.197 0.000 0.801 539 A HN 1.354 nan 8.150 nan 0.000 0.473 540 H N 0.132 119.228 119.070 0.044 0.000 2.690 540 H HA 0.585 4.853 4.556 -0.480 0.000 0.289 540 H C -0.706 174.602 175.328 -0.032 0.000 1.089 540 H CA 0.013 56.078 56.048 0.029 0.000 1.299 540 H CB 0.467 30.248 29.762 0.031 0.000 1.405 540 H HN 0.041 nan 8.280 nan 0.000 0.463 541 S N 5.371 120.840 115.700 -0.385 0.000 2.605 541 S HA 0.552 4.732 4.470 -0.483 0.000 0.308 541 S C -0.858 173.480 174.600 -0.436 0.000 1.113 541 S CA -0.811 57.171 58.200 -0.362 0.000 1.049 541 S CB 0.325 63.349 63.200 -0.294 0.000 1.001 541 S HN 0.780 nan 8.310 nan 0.000 0.480 542 R N 3.051 123.320 120.500 -0.385 0.000 2.561 542 R HA 0.388 4.438 4.340 -0.483 0.000 0.297 542 R C -0.197 175.971 176.300 -0.221 0.000 0.969 542 R CA -0.574 55.356 56.100 -0.284 0.000 0.879 542 R CB 0.945 31.176 30.300 -0.115 0.000 1.178 542 R HN 0.582 nan 8.270 nan 0.000 0.445 543 F N 1.185 121.134 119.950 -0.002 0.000 2.234 543 F HA -0.161 4.067 4.527 -0.498 0.000 0.299 543 F C 2.096 177.845 175.800 -0.085 0.000 1.087 543 F CA 1.232 59.206 58.000 -0.043 0.000 1.340 543 F CB -0.023 38.930 39.000 -0.078 0.000 1.031 543 F HN 0.593 nan 8.300 nan 0.000 0.500 544 D N -0.896 119.533 120.400 0.048 0.000 2.277 544 D HA -0.154 4.196 4.640 -0.483 0.000 0.208 544 D C 0.228 176.199 176.300 -0.548 0.000 0.962 544 D CA 0.794 54.669 54.000 -0.208 0.000 0.865 544 D CB -0.632 40.062 40.800 -0.176 0.000 0.939 544 D HN 0.243 nan 8.370 nan 0.000 0.510 545 F N 0.600 120.555 119.950 0.010 0.000 2.622 545 F HA 0.318 4.554 4.527 -0.484 0.000 0.338 545 F C -1.806 173.981 175.800 -0.022 0.000 1.334 545 F CA -2.031 55.968 58.000 -0.001 0.000 1.179 545 F CB 1.978 40.966 39.000 -0.020 0.000 1.471 545 F HN -0.194 nan 8.300 nan 0.000 0.576 546 P HA -0.027 nan 4.420 nan 0.000 0.229 546 P C -0.224 177.119 177.300 0.072 0.000 1.160 546 P CA 0.889 64.025 63.100 0.059 0.000 0.777 546 P CB 0.456 32.199 31.700 0.072 0.000 0.814 547 D N 0.211 120.672 120.400 0.101 0.000 2.229 547 D HA 0.207 4.557 4.640 -0.483 0.000 0.249 547 D C 0.243 176.605 176.300 0.104 0.000 1.027 547 D CA -0.495 53.564 54.000 0.098 0.000 0.923 547 D CB 1.311 42.172 40.800 0.102 0.000 1.174 547 D HN -0.142 nan 8.370 nan 0.000 0.443 548 R N 0.984 121.541 120.500 0.095 0.000 2.340 548 R HA 0.113 4.163 4.340 -0.483 0.000 0.300 548 R C -0.760 175.611 176.300 0.119 0.000 1.069 548 R CA -0.233 55.929 56.100 0.104 0.000 0.984 548 R CB 0.536 30.897 30.300 0.100 0.000 1.003 548 R HN 0.266 nan 8.270 nan 0.000 0.459 549 D N 2.978 123.473 120.400 0.158 0.000 2.462 549 D HA 0.107 4.457 4.640 -0.483 0.000 0.249 549 D C -0.416 175.985 176.300 0.167 0.000 1.117 549 D CA -0.413 53.698 54.000 0.185 0.000 0.900 549 D CB 1.053 42.033 40.800 0.300 0.000 1.039 549 D HN 0.444 nan 8.370 nan 0.000 0.516 550 D N 1.925 122.382 120.400 0.096 0.000 2.317 550 D HA -0.068 4.282 4.640 -0.483 0.000 0.211 550 D C 1.438 177.753 176.300 0.025 0.000 0.966 550 D CA 0.478 54.514 54.000 0.059 0.000 0.876 550 D CB 0.482 41.292 40.800 0.018 0.000 0.927 550 D HN 0.591 nan 8.370 nan 0.000 0.519 551 E N 0.125 120.337 120.200 0.020 0.000 2.072 551 E HA -0.062 3.998 4.350 -0.483 0.000 0.191 551 E C 1.330 177.886 176.600 -0.074 0.000 0.985 551 E CA 0.655 57.044 56.400 -0.018 0.000 0.801 551 E CB 0.258 29.952 29.700 -0.009 0.000 0.750 551 E HN 0.197 nan 8.360 nan 0.000 0.452 552 N N -1.666 116.974 118.700 -0.099 0.000 2.407 552 N HA 0.010 4.460 4.740 -0.483 0.000 0.182 552 N C 0.252 175.420 175.510 -0.571 0.000 1.079 552 N CA 0.348 53.181 53.050 -0.362 0.000 0.882 552 N CB 0.408 38.626 38.487 -0.449 0.000 1.106 552 N HN 0.161 nan 8.380 nan 0.000 0.461 553 W N 0.860 122.126 121.300 -0.057 0.000 2.407 553 W HA 0.386 4.758 4.660 -0.480 0.000 0.370 553 W C -0.190 176.303 176.519 -0.045 0.000 0.928 553 W CA -0.493 56.811 57.345 -0.069 0.000 2.005 553 W CB 0.285 29.694 29.460 -0.085 0.000 1.171 553 W HN -0.163 nan 8.180 nan 0.000 0.572 554 L N 3.554 124.843 121.223 0.111 0.000 2.399 554 L HA 0.391 4.441 4.340 -0.483 0.000 0.257 554 L C 0.188 177.068 176.870 0.016 0.000 1.236 554 L CA -0.236 54.643 54.840 0.066 0.000 1.144 554 L CB -1.063 41.019 42.059 0.038 0.000 1.379 554 L HN 0.183 nan 8.230 nan 0.000 0.414 555 C N -0.101 119.206 119.300 0.011 0.000 3.231 555 C HA 0.420 4.591 4.460 -0.483 0.000 0.343 555 C C -0.541 174.414 174.990 -0.058 0.000 1.349 555 C CA -1.153 57.845 59.018 -0.033 0.000 1.209 555 C CB 1.155 28.922 27.740 0.044 0.000 1.475 555 C HN 0.544 nan 8.230 nan 0.000 0.460 556 H N 1.319 120.468 119.070 0.132 0.000 2.511 556 H HA 0.593 4.859 4.556 -0.483 0.000 0.346 556 H C 0.537 175.984 175.328 0.198 0.000 1.128 556 H CA 0.791 56.918 56.048 0.131 0.000 1.342 556 H CB 1.876 31.684 29.762 0.077 0.000 1.470 556 H HN 0.958 nan 8.280 nan 0.000 0.546 557 S N 2.304 118.207 115.700 0.337 0.000 2.554 557 S HA 0.418 4.598 4.470 -0.483 0.000 0.278 557 S C -0.407 174.327 174.600 0.224 0.000 1.242 557 S CA -0.846 57.579 58.200 0.375 0.000 1.051 557 S CB 1.115 64.552 63.200 0.396 0.000 0.986 557 S HN 0.371 nan 8.310 nan 0.000 0.502 558 L N 3.279 124.595 121.223 0.156 0.000 2.404 558 L HA 0.481 4.531 4.340 -0.483 0.000 0.272 558 L C -1.490 175.395 176.870 0.025 0.000 0.980 558 L CA -0.751 54.132 54.840 0.072 0.000 0.836 558 L CB 1.614 43.698 42.059 0.041 0.000 1.238 558 L HN 0.863 nan 8.230 nan 0.000 0.408 559 Y N 5.799 126.059 120.300 -0.067 0.000 2.383 559 Y HA 0.563 4.823 4.550 -0.482 0.000 0.344 559 Y C -1.000 174.864 175.900 -0.060 0.000 0.986 559 Y CA -0.595 57.454 58.100 -0.085 0.000 1.175 559 Y CB 0.628 39.053 38.460 -0.059 0.000 1.152 559 Y HN 0.519 nan 8.280 nan 0.000 0.511 560 L N 9.980 130.860 121.223 -0.572 0.000 2.261 560 L HA 0.327 4.377 4.340 -0.483 0.000 0.289 560 L C -1.638 174.839 176.870 -0.653 0.000 1.059 560 L CA -1.790 52.772 54.840 -0.463 0.000 0.816 560 L CB 1.130 43.027 42.059 -0.271 0.000 1.191 560 L HN 0.547 nan 8.230 nan 0.000 0.431 561 P HA -0.074 nan 4.420 nan 0.000 0.222 561 P C 1.096 178.293 177.300 -0.171 0.000 1.153 561 P CA 0.750 63.663 63.100 -0.311 0.000 0.798 561 P CB 0.548 32.198 31.700 -0.082 0.000 0.796 562 E N 0.294 120.408 120.200 -0.144 0.000 2.077 562 E HA -0.119 3.941 4.350 -0.483 0.000 0.193 562 E C 1.921 178.467 176.600 -0.091 0.000 0.989 562 E CA 1.920 58.264 56.400 -0.094 0.000 0.800 562 E CB -0.485 29.169 29.700 -0.078 0.000 0.746 562 E HN 0.287 nan 8.360 nan 0.000 0.452 563 S N -0.691 114.934 115.700 -0.125 0.000 2.535 563 S HA 0.108 4.288 4.470 -0.483 0.000 0.214 563 S C 0.247 174.794 174.600 -0.088 0.000 0.980 563 S CA 0.066 58.210 58.200 -0.093 0.000 0.907 563 S CB 0.096 63.241 63.200 -0.091 0.000 0.790 563 S HN 0.232 nan 8.310 nan 0.000 0.510 564 E N 1.439 121.542 120.200 -0.162 0.000 2.440 564 E HA -0.183 3.877 4.350 -0.483 0.000 0.246 564 E C -0.204 176.376 176.600 -0.034 0.000 1.165 564 E CA 0.613 56.968 56.400 -0.075 0.000 0.726 564 E CB -1.886 27.920 29.700 0.178 0.000 1.271 564 E HN 0.828 nan 8.360 nan 0.000 0.397 565 S N -1.204 114.385 115.700 -0.184 0.000 2.715 565 S HA 0.794 4.975 4.470 -0.483 0.000 0.307 565 S C -0.008 174.452 174.600 -0.234 0.000 1.119 565 S CA -1.213 56.905 58.200 -0.136 0.000 0.937 565 S CB 2.079 65.218 63.200 -0.102 0.000 1.150 565 S HN 0.080 nan 8.310 nan 0.000 0.521 566 M N 1.395 120.800 119.600 -0.325 0.000 2.537 566 M HA 0.654 4.844 4.480 -0.483 0.000 0.324 566 M C 0.177 176.206 176.300 -0.452 0.000 1.187 566 M CA -0.286 54.672 55.300 -0.571 0.000 0.993 566 M CB 1.451 33.193 32.600 -1.431 0.000 1.666 566 M HN 1.025 nan 8.290 nan 0.000 0.461 567 T N 0.768 115.151 114.554 -0.286 0.000 2.618 567 T HA 0.673 4.733 4.350 -0.483 0.000 0.293 567 T C -1.273 173.518 174.700 0.152 0.000 1.093 567 T CA -0.642 61.440 62.100 -0.030 0.000 1.061 567 T CB 1.875 70.728 68.868 -0.026 0.000 1.498 567 T HN 0.698 nan 8.240 nan 0.000 0.494 568 R N 0.369 120.962 120.500 0.155 0.000 2.807 568 R HA 0.727 4.777 4.340 -0.483 0.000 0.276 568 R C -0.810 175.565 176.300 0.124 0.000 0.979 568 R CA -0.903 55.309 56.100 0.188 0.000 0.928 568 R CB 2.008 32.384 30.300 0.127 0.000 1.191 568 R HN 0.425 nan 8.270 nan 0.000 0.471 569 R N 0.293 120.891 120.500 0.163 0.000 2.686 569 R HA 0.358 4.408 4.340 -0.483 0.000 0.286 569 R C -0.633 175.781 176.300 0.189 0.000 0.969 569 R CA -0.638 55.550 56.100 0.146 0.000 0.898 569 R CB 2.446 32.822 30.300 0.128 0.000 1.183 569 R HN 0.592 nan 8.270 nan 0.000 0.456 570 S N 0.962 116.739 115.700 0.128 0.000 2.558 570 S HA 0.016 4.196 4.470 -0.483 0.000 0.287 570 S C 0.134 174.849 174.600 0.191 0.000 1.321 570 S CA -0.353 57.913 58.200 0.110 0.000 1.048 570 S CB 0.631 63.873 63.200 0.070 0.000 0.844 570 S HN 0.238 nan 8.310 nan 0.000 0.512 571 V N 4.276 124.236 119.914 0.076 0.000 2.432 571 V HA 0.166 3.996 4.120 -0.483 0.000 0.275 571 V C 0.755 176.911 176.094 0.103 0.000 1.043 571 V CA -0.833 61.511 62.300 0.073 0.000 0.925 571 V CB 1.071 32.854 31.823 -0.067 0.000 0.985 571 V HN 0.822 nan 8.190 nan 0.000 0.466 572 N N 5.787 124.568 118.700 0.134 0.000 2.468 572 N HA 0.093 4.543 4.740 -0.483 0.000 0.265 572 N C -0.127 175.440 175.510 0.095 0.000 1.199 572 N CA 0.004 53.111 53.050 0.095 0.000 0.928 572 N CB 0.822 39.358 38.487 0.083 0.000 1.059 572 N HN 0.530 nan 8.380 nan 0.000 0.467 573 M N 3.032 122.678 119.600 0.076 0.000 2.963 573 M HA 0.216 4.406 4.480 -0.483 0.000 0.350 573 M C -0.786 175.550 176.300 0.059 0.000 1.253 573 M CA 0.059 55.406 55.300 0.079 0.000 0.856 573 M CB -0.303 32.337 32.600 0.067 0.000 1.356 573 M HN 0.436 nan 8.290 nan 0.000 0.510 574 E N 2.421 122.658 120.200 0.060 0.000 3.386 574 E HA 0.267 4.327 4.350 -0.483 0.000 0.236 574 E C -2.403 174.232 176.600 0.058 0.000 1.227 574 E CA -1.410 55.017 56.400 0.046 0.000 0.970 574 E CB 1.719 31.440 29.700 0.035 0.000 1.343 574 E HN 0.174 nan 8.360 nan 0.000 0.397 575 P HA 0.050 nan 4.420 nan 0.000 0.272 575 P C 0.202 177.550 177.300 0.080 0.000 1.230 575 P CA -0.346 62.811 63.100 0.096 0.000 0.788 575 P CB 1.391 33.160 31.700 0.115 0.000 0.949 576 K N 0.921 121.380 120.400 0.098 0.000 2.334 576 K HA 0.208 4.238 4.320 -0.483 0.000 0.195 576 K C 1.642 178.298 176.600 0.093 0.000 1.045 576 K CA 0.729 57.063 56.287 0.079 0.000 1.004 576 K CB -0.118 32.424 32.500 0.070 0.000 0.837 576 K HN 0.420 nan 8.250 nan 0.000 0.510 577 L N 0.658 121.970 121.223 0.148 0.000 2.590 577 L HA 0.206 4.256 4.340 -0.483 0.000 0.227 577 L C 0.611 177.589 176.870 0.180 0.000 1.099 577 L CA -0.140 54.816 54.840 0.194 0.000 0.872 577 L CB 0.225 42.471 42.059 0.312 0.000 1.088 577 L HN 0.073 nan 8.230 nan 0.000 0.479 578 R N -1.191 119.382 120.500 0.121 0.000 2.716 578 R HA 0.539 4.589 4.340 -0.483 0.000 0.271 578 R C -3.105 173.152 176.300 -0.072 0.000 1.028 578 R CA -1.527 54.580 56.100 0.012 0.000 0.883 578 R CB 0.459 30.747 30.300 -0.021 0.000 1.250 578 R HN -0.347 nan 8.270 nan 0.000 0.465 579 P HA 0.133 nan 4.420 nan 0.000 0.272 579 P C -0.697 176.426 177.300 -0.294 0.000 1.230 579 P CA -0.246 62.749 63.100 -0.175 0.000 0.788 579 P CB 0.663 32.260 31.700 -0.172 0.000 0.949 580 A N 1.850 124.567 122.820 -0.171 0.000 2.462 580 A HA 0.257 4.287 4.320 -0.483 0.000 0.243 580 A C -0.416 177.066 177.584 -0.169 0.000 1.076 580 A CA -0.007 51.954 52.037 -0.126 0.000 0.773 580 A CB -0.702 18.297 19.000 -0.003 0.000 1.010 580 A HN 0.373 nan 8.150 nan 0.000 0.493 581 F N 3.668 123.699 119.950 0.134 0.000 2.444 581 F HA 0.325 4.563 4.527 -0.481 0.000 0.360 581 F C -1.451 174.427 175.800 0.131 0.000 1.106 581 F CA -1.936 56.161 58.000 0.161 0.000 1.170 581 F CB 0.649 39.791 39.000 0.236 0.000 1.113 581 F HN 0.375 nan 8.300 nan 0.000 0.521 582 P HA 0.180 nan 4.420 nan 0.000 0.274 582 P C -2.713 174.462 177.300 -0.208 0.000 1.231 582 P CA -1.659 61.458 63.100 0.028 0.000 0.790 582 P CB 0.162 31.861 31.700 -0.001 0.000 0.951 583 P HA 0.134 nan 4.420 nan 0.000 0.267 583 P C -0.160 176.770 177.300 -0.617 0.000 1.205 583 P CA 0.382 62.889 63.100 -0.988 0.000 0.765 583 P CB 0.264 31.673 31.700 -0.485 0.000 0.828 584 K N 1.975 121.953 120.400 -0.704 0.000 2.469 584 K HA 0.537 4.567 4.320 -0.483 0.000 0.268 584 K C -0.608 175.919 176.600 -0.123 0.000 1.027 584 K CA -1.102 55.035 56.287 -0.250 0.000 0.893 584 K CB 1.025 33.462 32.500 -0.105 0.000 1.460 584 K HN 0.110 nan 8.250 nan 0.000 0.449 585 I N 1.567 122.115 120.570 -0.036 0.000 2.710 585 I HA 0.010 3.890 4.170 -0.483 0.000 0.286 585 I C 0.508 176.646 176.117 0.034 0.000 1.181 585 I CA 0.128 61.435 61.300 0.011 0.000 1.430 585 I CB 0.324 38.330 38.000 0.010 0.000 1.367 585 I HN 0.486 nan 8.210 nan 0.000 0.577 586 R N 5.648 126.175 120.500 0.044 0.000 2.312 586 R HA 0.367 4.417 4.340 -0.483 0.000 0.310 586 R C -1.000 175.241 176.300 -0.099 0.000 1.064 586 R CA -0.353 55.734 56.100 -0.020 0.000 0.983 586 R CB 0.835 31.166 30.300 0.051 0.000 1.139 586 R HN 0.816 nan 8.270 nan 0.000 0.536 587 T N 0.125 114.582 114.554 -0.162 0.000 2.907 587 T HA 0.467 4.528 4.350 -0.483 0.000 0.292 587 T C -0.668 173.885 174.700 -0.244 0.000 1.043 587 T CA -0.581 61.452 62.100 -0.112 0.000 1.003 587 T CB 1.397 70.266 68.868 0.001 0.000 1.084 587 T HN 0.304 nan 8.240 nan 0.000 0.483 588 Y N 0.000 120.336 120.300 0.059 0.000 2.660 588 Y HA 0.000 4.259 4.550 -0.485 0.000 0.201 588 Y CA 0.000 58.129 58.100 0.049 0.000 1.940 588 Y CB 0.000 38.484 38.460 0.040 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758