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 2xay_1_A DATA FIRST_RESID 4 DATA SEQUENCE NLLVTKRDGS TERINLDKIH RVLDWAAEGL HNVSISQVEL RSHIQFYDGI DATA SEQUENCE KTSDIHETII KAAADLISRD APDYQYLAAR LAIFHLRKKA YGQFEPPALY DATA SEQUENCE DHVVKMVEMG KYDNHLLEDY TEEEFKQMDT FIDHDRDMTF SYAAVKQLEG DATA SEQUENCE KYLVQNRVTG EIYESAQFLY ILVAACLFSN YPRETRLQYV KRFYDAVSTF DATA SEQUENCE KISLPTPIMS GVRTPTRQFS SCVLIECGDS LDSINATSSA IVKYVSQRAG DATA SEQUENCE IGINAGRIRA LGSPXXXXXX FHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV RQSNLALEIA LPTKPLNDVN DATA SEQUENCE DENGEIALCT LSAFNLGAIN NLDELEELAI LAVRALDALL DYQDYPIPAA DATA SEQUENCE KRGAMGRRTL GIGVINFAYY LAKHGKRYSD GSANNLTHKT FEAIQYYLLK DATA SEQUENCE ASNELAKEQG ACPWFNETTY AKGILPIDTY KKDLDTIANE PLHYDWEALR DATA SEQUENCE ESIKTHGLRN STLSALMPSE TSSQISNATN GIEPPRGYVS IKASKDGILR DATA SEQUENCE QVVPDYEHLH DAYELLWEMP GNDGYLQLVG IMQKFIDQSI SANTNYDPSR DATA SEQUENCE FPSGKVPMQQ LLKDLLTAYK FGVKTLXYQN TRDG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.507 175.510 -0.005 0.000 1.280 4 N CA 0.000 53.053 53.050 0.005 0.000 0.885 4 N CB 0.000 38.492 38.487 0.008 0.000 1.341 5 L N 1.308 122.529 121.223 -0.004 0.000 2.728 5 L HA -0.146 4.194 4.340 0.001 0.000 0.527 5 L C -1.119 175.721 176.870 -0.050 0.000 1.002 5 L CA 0.039 54.868 54.840 -0.019 0.000 1.273 5 L CB -0.280 41.770 42.059 -0.016 0.000 1.435 5 L HN 0.336 nan 8.230 nan 0.000 0.711 6 L N 4.936 126.130 121.223 -0.047 0.000 2.439 6 L HA 0.722 5.062 4.340 0.001 0.000 0.261 6 L C 0.024 176.828 176.870 -0.110 0.000 1.153 6 L CA -0.634 54.169 54.840 -0.061 0.000 0.808 6 L CB 1.490 43.530 42.059 -0.033 0.000 1.126 6 L HN 0.335 nan 8.230 nan 0.000 0.460 7 V N 0.215 120.061 119.914 -0.114 0.000 2.760 7 V HA 0.335 4.455 4.120 0.001 0.000 0.309 7 V C -0.480 175.550 176.094 -0.107 0.000 1.077 7 V CA -0.556 61.650 62.300 -0.157 0.000 0.910 7 V CB 2.452 34.158 31.823 -0.195 0.000 1.008 7 V HN 0.765 nan 8.190 nan 0.000 0.424 8 T N 4.950 119.441 114.554 -0.106 0.000 2.753 8 T HA 0.337 4.688 4.350 0.001 0.000 0.297 8 T C 0.144 174.809 174.700 -0.058 0.000 0.981 8 T CA -0.471 61.591 62.100 -0.063 0.000 0.956 8 T CB 0.683 69.528 68.868 -0.038 0.000 0.936 8 T HN 0.444 nan 8.240 nan 0.000 0.463 9 K N 1.930 122.306 120.400 -0.041 0.000 2.143 9 K HA 0.177 4.497 4.320 0.001 0.000 0.239 9 K C 0.901 177.496 176.600 -0.008 0.000 1.048 9 K CA -0.508 55.765 56.287 -0.024 0.000 0.867 9 K CB 0.396 32.888 32.500 -0.013 0.000 1.088 9 K HN 0.410 nan 8.250 nan 0.000 0.510 10 R N 2.365 122.869 120.500 0.007 0.000 4.624 10 R HA 0.006 4.346 4.340 0.001 0.000 0.214 10 R C -0.240 176.065 176.300 0.009 0.000 2.026 10 R CA 0.417 56.525 56.100 0.013 0.000 1.676 10 R CB -0.367 29.946 30.300 0.022 0.000 1.291 10 R HN 0.521 nan 8.270 nan 0.000 0.739 11 D N -1.441 118.962 120.400 0.005 0.000 2.119 11 D HA 0.078 4.718 4.640 0.001 0.000 0.311 11 D C 1.141 177.443 176.300 0.003 0.000 1.155 11 D CA 0.800 54.802 54.000 0.004 0.000 1.036 11 D CB 0.782 41.583 40.800 0.003 0.000 1.855 11 D HN 0.342 nan 8.370 nan 0.000 0.523 12 G N 1.569 110.370 108.800 0.000 0.000 2.227 12 G HA2 -0.195 3.766 3.960 0.001 0.000 0.168 12 G HA3 -0.195 3.766 3.960 0.001 0.000 0.168 12 G C 0.260 175.158 174.900 -0.003 0.000 1.006 12 G CA 0.290 45.390 45.100 0.000 0.000 0.684 12 G HN 0.439 nan 8.290 nan 0.000 0.489 13 S N -0.078 115.619 115.700 -0.005 0.000 2.562 13 S HA 0.672 5.142 4.470 0.001 0.000 0.275 13 S C -0.030 174.561 174.600 -0.016 0.000 1.281 13 S CA 0.348 58.543 58.200 -0.008 0.000 1.045 13 S CB 2.237 65.433 63.200 -0.006 0.000 0.962 13 S HN 1.168 nan 8.310 nan 0.000 0.503 14 T N 1.677 116.222 114.554 -0.016 0.000 2.892 14 T HA 0.418 4.768 4.350 0.001 0.000 0.311 14 T C -0.754 173.930 174.700 -0.026 0.000 1.033 14 T CA -0.649 61.436 62.100 -0.025 0.000 0.991 14 T CB 0.361 69.217 68.868 -0.020 0.000 0.981 14 T HN 0.859 nan 8.240 nan 0.000 0.457 15 E N 4.389 124.567 120.200 -0.035 0.000 2.378 15 E HA 0.473 4.824 4.350 0.001 0.000 0.265 15 E C -0.685 175.887 176.600 -0.047 0.000 0.932 15 E CA -1.082 55.298 56.400 -0.033 0.000 0.795 15 E CB 1.443 31.128 29.700 -0.026 0.000 1.296 15 E HN 0.587 nan 8.360 nan 0.000 0.438 16 R N 0.797 121.274 120.500 -0.039 0.000 2.638 16 R HA 0.105 4.446 4.340 0.001 0.000 0.268 16 R C 0.713 176.974 176.300 -0.065 0.000 1.006 16 R CA -0.122 55.951 56.100 -0.045 0.000 1.088 16 R CB 0.236 30.519 30.300 -0.028 0.000 0.950 16 R HN 0.495 nan 8.270 nan 0.000 0.419 17 I N 2.534 123.052 120.570 -0.088 0.000 2.692 17 I HA -0.082 4.088 4.170 0.001 0.000 0.284 17 I C -0.207 175.863 176.117 -0.077 0.000 1.159 17 I CA 0.277 61.502 61.300 -0.125 0.000 1.423 17 I CB 0.620 38.509 38.000 -0.184 0.000 1.380 17 I HN 0.588 nan 8.210 nan 0.000 0.580 18 N N 7.649 126.305 118.700 -0.073 0.000 2.609 18 N HA 0.225 4.965 4.740 0.001 0.000 0.234 18 N C 0.784 176.296 175.510 0.004 0.000 1.001 18 N CA -0.364 52.671 53.050 -0.025 0.000 0.926 18 N CB 0.681 39.160 38.487 -0.013 0.000 1.130 18 N HN 0.610 nan 8.380 nan 0.000 0.510 19 L N 1.539 122.782 121.223 0.033 0.000 1.989 19 L HA -0.218 4.122 4.340 0.001 0.000 0.211 19 L C 1.165 178.113 176.870 0.130 0.000 1.071 19 L CA 1.667 56.570 54.840 0.105 0.000 0.749 19 L CB -0.257 41.868 42.059 0.111 0.000 0.890 19 L HN 0.458 nan 8.230 nan 0.000 0.431 20 D N -1.317 119.135 120.400 0.087 0.000 2.317 20 D HA -0.137 4.503 4.640 0.001 0.000 0.211 20 D C 2.006 178.370 176.300 0.108 0.000 0.966 20 D CA 0.282 54.345 54.000 0.105 0.000 0.876 20 D CB -0.160 40.669 40.800 0.049 0.000 0.927 20 D HN 0.024 nan 8.370 nan 0.000 0.519 21 K N 0.962 121.402 120.400 0.067 0.000 2.026 21 K HA -0.030 4.291 4.320 0.001 0.000 0.208 21 K C 1.994 178.616 176.600 0.036 0.000 1.048 21 K CA 0.659 56.970 56.287 0.041 0.000 0.929 21 K CB -0.488 32.028 32.500 0.027 0.000 0.713 21 K HN 0.268 nan 8.250 nan 0.000 0.439 22 I N -0.084 120.525 120.570 0.066 0.000 2.127 22 I HA -0.337 3.833 4.170 0.001 0.000 0.241 22 I C 2.504 178.682 176.117 0.101 0.000 1.075 22 I CA 1.744 63.096 61.300 0.087 0.000 1.334 22 I CB -0.410 37.685 38.000 0.159 0.000 1.040 22 I HN 0.323 nan 8.210 nan 0.000 0.405 23 H N 1.026 120.134 119.070 0.063 0.000 2.352 23 H HA -0.157 4.399 4.556 0.001 0.000 0.299 23 H C 2.414 177.759 175.328 0.029 0.000 1.097 23 H CA 1.824 57.900 56.048 0.047 0.000 1.311 23 H CB 0.060 29.849 29.762 0.044 0.000 1.377 23 H HN 0.115 nan 8.280 nan 0.000 0.504 24 R N -0.542 120.001 120.500 0.072 0.000 2.073 24 R HA -0.109 4.231 4.340 0.001 0.000 0.234 24 R C 2.450 178.727 176.300 -0.039 0.000 1.134 24 R CA 1.521 57.631 56.100 0.017 0.000 0.952 24 R CB -0.356 29.962 30.300 0.030 0.000 0.850 24 R HN 0.202 nan 8.270 nan 0.000 0.433 25 V N 1.560 121.410 119.914 -0.107 0.000 2.287 25 V HA -0.261 3.859 4.120 0.001 0.000 0.248 25 V C 2.323 178.423 176.094 0.010 0.000 1.053 25 V CA 1.768 63.952 62.300 -0.194 0.000 1.027 25 V CB -0.468 31.056 31.823 -0.498 0.000 0.646 25 V HN 0.292 nan 8.190 nan 0.000 0.447 26 L N -0.265 120.926 121.223 -0.053 0.000 2.083 26 L HA -0.187 4.153 4.340 0.001 0.000 0.209 26 L C 2.478 179.290 176.870 -0.096 0.000 1.083 26 L CA 1.692 56.498 54.840 -0.057 0.000 0.752 26 L CB -0.650 41.356 42.059 -0.088 0.000 0.899 26 L HN 0.382 nan 8.230 nan 0.000 0.433 27 D N -0.519 119.784 120.400 -0.162 0.000 2.092 27 D HA -0.266 4.374 4.640 0.001 0.000 0.193 27 D C 1.869 178.162 176.300 -0.012 0.000 0.994 27 D CA 1.271 55.190 54.000 -0.135 0.000 0.828 27 D CB -0.131 40.583 40.800 -0.143 0.000 0.963 27 D HN 0.400 nan 8.370 nan 0.000 0.450 28 W N 1.880 123.100 121.300 -0.133 0.000 2.317 28 W HA -0.262 4.398 4.660 0.000 0.000 0.318 28 W C 2.283 178.759 176.519 -0.072 0.000 1.227 28 W CA 2.956 60.242 57.345 -0.098 0.000 1.269 28 W CB -0.660 28.723 29.460 -0.128 0.000 1.155 28 W HN 0.009 nan 8.180 nan 0.000 0.484 29 A N 0.541 123.220 122.820 -0.236 0.000 1.972 29 A HA 0.015 4.335 4.320 0.001 0.000 0.219 29 A C 2.068 179.454 177.584 -0.329 0.000 1.169 29 A CA 2.271 54.020 52.037 -0.479 0.000 0.635 29 A CB -1.448 17.461 19.000 -0.152 0.000 0.810 29 A HN 0.530 nan 8.150 nan 0.000 0.446 30 A N -0.534 122.157 122.820 -0.214 0.000 2.119 30 A HA 0.100 4.421 4.320 0.001 0.000 0.216 30 A C 0.931 178.397 177.584 -0.196 0.000 1.152 30 A CA 0.406 52.333 52.037 -0.184 0.000 0.708 30 A CB -0.347 18.567 19.000 -0.143 0.000 0.805 30 A HN 0.578 nan 8.150 nan 0.000 0.460 31 E N -0.599 119.474 120.200 -0.212 0.000 2.868 31 E HA 0.216 4.566 4.350 0.001 0.000 0.246 31 E C 1.343 177.821 176.600 -0.203 0.000 0.962 31 E CA 0.952 57.243 56.400 -0.181 0.000 0.955 31 E CB -0.181 29.406 29.700 -0.187 0.000 0.903 31 E HN 0.650 nan 8.360 nan 0.000 0.524 32 G N 3.342 112.028 108.800 -0.190 0.000 2.284 32 G HA2 -0.300 3.660 3.960 0.001 0.000 0.247 32 G HA3 -0.300 3.660 3.960 0.001 0.000 0.247 32 G C 0.226 174.865 174.900 -0.434 0.000 1.012 32 G CA 0.194 45.144 45.100 -0.250 0.000 0.618 32 G HN 0.470 nan 8.290 nan 0.000 0.521 33 L N 0.945 121.952 121.223 -0.360 0.000 2.395 33 L HA 0.618 4.958 4.340 0.001 0.000 0.269 33 L C 0.620 177.254 176.870 -0.393 0.000 1.133 33 L CA -0.805 53.811 54.840 -0.373 0.000 0.812 33 L CB 0.688 42.611 42.059 -0.226 0.000 1.125 33 L HN 0.259 nan 8.230 nan 0.000 0.452 34 H N 1.305 120.329 119.070 -0.078 0.000 2.529 34 H HA 0.243 4.799 4.556 0.001 0.000 0.348 34 H C 0.197 175.463 175.328 -0.103 0.000 1.152 34 H CA -0.689 55.316 56.048 -0.072 0.000 1.202 34 H CB 1.116 30.856 29.762 -0.037 0.000 1.562 34 H HN 0.659 nan 8.280 nan 0.000 0.515 35 N N 0.187 118.909 118.700 0.037 0.000 2.776 35 N HA -0.183 4.558 4.740 0.001 0.000 0.250 35 N C -1.233 174.193 175.510 -0.140 0.000 1.112 35 N CA 0.875 53.912 53.050 -0.022 0.000 0.733 35 N CB -1.031 37.463 38.487 0.012 0.000 1.097 35 N HN 0.388 nan 8.380 nan 0.000 0.558 36 V N -2.685 117.082 119.914 -0.245 0.000 2.513 36 V HA 0.820 4.940 4.120 0.001 0.000 0.299 36 V C 0.394 176.406 176.094 -0.138 0.000 1.035 36 V CA -0.429 61.589 62.300 -0.470 0.000 0.889 36 V CB 1.970 33.319 31.823 -0.789 0.000 0.988 36 V HN 0.201 nan 8.190 nan 0.000 0.440 37 S N 3.733 119.464 115.700 0.051 0.000 2.438 37 S HA 0.544 5.015 4.470 0.001 0.000 0.316 37 S C 0.797 175.445 174.600 0.080 0.000 1.084 37 S CA -0.748 57.496 58.200 0.074 0.000 1.107 37 S CB 0.688 63.948 63.200 0.099 0.000 0.981 37 S HN 0.718 nan 8.310 nan 0.000 0.466 38 I N 4.130 124.717 120.570 0.027 0.000 2.315 38 I HA -0.138 4.032 4.170 0.001 0.000 0.248 38 I C 2.614 178.744 176.117 0.021 0.000 1.117 38 I CA 1.347 62.655 61.300 0.013 0.000 1.404 38 I CB -0.347 37.631 38.000 -0.037 0.000 1.071 38 I HN 0.781 nan 8.210 nan 0.000 0.419 39 S N 0.180 115.895 115.700 0.026 0.000 2.383 39 S HA -0.186 4.284 4.470 0.001 0.000 0.227 39 S C 1.987 176.564 174.600 -0.037 0.000 1.026 39 S CA 0.629 58.825 58.200 -0.006 0.000 0.981 39 S CB -0.364 62.838 63.200 0.003 0.000 0.818 39 S HN 0.376 nan 8.310 nan 0.000 0.472 40 Q N 1.004 120.801 119.800 -0.005 0.000 2.112 40 Q HA -0.057 4.283 4.340 0.001 0.000 0.206 40 Q C 2.521 178.492 176.000 -0.048 0.000 0.987 40 Q CA 1.612 57.403 55.803 -0.020 0.000 0.858 40 Q CB -0.856 27.891 28.738 0.015 0.000 0.905 40 Q HN 0.588 nan 8.270 nan 0.000 0.420 41 V N 0.873 120.778 119.914 -0.015 0.000 2.358 41 V HA -0.226 3.894 4.120 0.001 0.000 0.246 41 V C 2.131 178.180 176.094 -0.074 0.000 1.047 41 V CA 1.768 64.052 62.300 -0.027 0.000 1.035 41 V CB -0.493 31.352 31.823 0.037 0.000 0.658 41 V HN 0.347 nan 8.190 nan 0.000 0.452 42 E N 0.205 120.329 120.200 -0.128 0.000 2.031 42 E HA -0.202 4.148 4.350 0.001 0.000 0.193 42 E C 2.250 178.590 176.600 -0.434 0.000 0.994 42 E CA 1.489 57.667 56.400 -0.370 0.000 0.800 42 E CB -0.270 29.181 29.700 -0.415 0.000 0.752 42 E HN 0.476 nan 8.360 nan 0.000 0.447 43 L N 0.392 121.462 121.223 -0.256 0.000 2.013 43 L HA -0.250 4.090 4.340 0.001 0.000 0.212 43 L C 2.617 179.400 176.870 -0.144 0.000 1.073 43 L CA 1.469 56.206 54.840 -0.173 0.000 0.753 43 L CB -0.391 41.603 42.059 -0.108 0.000 0.890 43 L HN 0.060 nan 8.230 nan 0.000 0.432 44 R N -0.425 119.996 120.500 -0.131 0.000 2.148 44 R HA -0.094 4.246 4.340 0.001 0.000 0.223 44 R C 2.533 178.745 176.300 -0.146 0.000 1.088 44 R CA 1.483 57.512 56.100 -0.119 0.000 0.985 44 R CB -0.147 30.088 30.300 -0.109 0.000 0.880 44 R HN 0.504 nan 8.270 nan 0.000 0.451 45 S N -0.917 114.682 115.700 -0.168 0.000 2.441 45 S HA -0.019 4.452 4.470 0.001 0.000 0.224 45 S C 1.646 175.811 174.600 -0.724 0.000 1.043 45 S CA 0.299 58.339 58.200 -0.267 0.000 0.948 45 S CB -0.338 62.816 63.200 -0.075 0.000 0.810 45 S HN 0.413 nan 8.310 nan 0.000 0.504 46 H N 0.392 119.003 119.070 -0.765 0.000 2.423 46 H HA 0.119 4.675 4.556 0.001 0.000 0.297 46 H C 1.901 176.879 175.328 -0.584 0.000 1.075 46 H CA 1.139 56.632 56.048 -0.925 0.000 1.342 46 H CB -0.066 29.525 29.762 -0.286 0.000 1.395 46 H HN 0.326 nan 8.280 nan 0.000 0.530 47 I N 1.475 121.910 120.570 -0.225 0.000 2.850 47 I HA -0.211 3.959 4.170 0.001 0.000 0.266 47 I C 1.341 177.403 176.117 -0.092 0.000 1.257 47 I CA 1.343 62.576 61.300 -0.111 0.000 1.465 47 I CB -0.043 37.912 38.000 -0.074 0.000 1.091 47 I HN 0.213 nan 8.210 nan 0.000 0.467 48 Q N -0.796 118.889 119.800 -0.191 0.000 2.282 48 Q HA 0.155 4.495 4.340 0.001 0.000 0.206 48 Q C -0.408 175.699 176.000 0.179 0.000 0.878 48 Q CA -0.239 55.555 55.803 -0.015 0.000 0.944 48 Q CB 0.280 29.004 28.738 -0.023 0.000 1.100 48 Q HN 0.204 nan 8.270 nan 0.000 0.509 49 F N 1.366 121.328 119.950 0.020 0.000 2.399 49 F HA 0.277 4.804 4.527 0.001 0.000 0.342 49 F C 0.044 175.842 175.800 -0.002 0.000 1.106 49 F CA -1.759 56.177 58.000 -0.106 0.000 1.196 49 F CB 0.097 38.987 39.000 -0.183 0.000 1.163 49 F HN -0.025 nan 8.300 nan 0.000 0.547 50 Y N -1.629 118.764 120.300 0.155 0.000 2.545 50 Y HA 0.490 5.040 4.550 0.001 0.000 0.348 50 Y C -0.695 175.220 175.900 0.024 0.000 1.002 50 Y CA -2.143 55.999 58.100 0.070 0.000 1.039 50 Y CB 0.517 39.006 38.460 0.049 0.000 1.271 50 Y HN 0.528 nan 8.280 nan 0.000 0.467 51 D N 1.417 121.916 120.400 0.165 0.000 2.520 51 D HA 0.341 4.981 4.640 0.001 0.000 0.243 51 D C 1.205 177.561 176.300 0.093 0.000 1.160 51 D CA 2.757 56.801 54.000 0.073 0.000 0.877 51 D CB 0.216 41.060 40.800 0.072 0.000 1.150 51 D HN 1.081 nan 8.370 nan 0.000 0.494 52 G N 3.514 112.306 108.800 -0.014 0.000 2.175 52 G HA2 -0.299 3.661 3.960 0.001 0.000 0.244 52 G HA3 -0.299 3.661 3.960 0.001 0.000 0.244 52 G C 0.647 175.507 174.900 -0.067 0.000 0.982 52 G CA -0.054 45.042 45.100 -0.006 0.000 0.641 52 G HN 0.709 nan 8.290 nan 0.000 0.527 53 I N 2.089 122.474 120.570 -0.309 0.000 2.821 53 I HA 0.202 4.372 4.170 0.001 0.000 0.294 53 I C 1.278 177.213 176.117 -0.303 0.000 1.210 53 I CA 0.258 61.221 61.300 -0.563 0.000 1.430 53 I CB 0.297 37.626 38.000 -1.119 0.000 1.356 53 I HN 0.403 nan 8.210 nan 0.000 0.563 54 K N 5.199 125.497 120.400 -0.169 0.000 2.258 54 K HA 0.139 4.460 4.320 0.001 0.000 0.264 54 K C 0.486 176.977 176.600 -0.181 0.000 1.007 54 K CA -0.308 55.906 56.287 -0.121 0.000 0.941 54 K CB 1.043 33.521 32.500 -0.037 0.000 0.966 54 K HN 0.654 nan 8.250 nan 0.000 0.480 55 T N 1.088 115.549 114.554 -0.156 0.000 2.777 55 T HA -0.158 4.192 4.350 0.001 0.000 0.266 55 T C 1.924 176.472 174.700 -0.254 0.000 1.040 55 T CA 1.790 63.749 62.100 -0.235 0.000 1.141 55 T CB -0.347 68.440 68.868 -0.135 0.000 0.868 55 T HN 0.805 nan 8.240 nan 0.000 0.444 56 S N 2.202 117.884 115.700 -0.030 0.000 2.383 56 S HA -0.183 4.287 4.470 0.001 0.000 0.229 56 S C 1.609 176.207 174.600 -0.002 0.000 1.030 56 S CA 1.154 59.437 58.200 0.138 0.000 1.002 56 S CB -0.495 62.827 63.200 0.203 0.000 0.829 56 S HN 0.381 nan 8.310 nan 0.000 0.467 57 D N 1.496 121.857 120.400 -0.065 0.000 2.219 57 D HA 0.101 4.741 4.640 0.001 0.000 0.205 57 D C 1.831 178.067 176.300 -0.105 0.000 0.970 57 D CA 0.680 54.645 54.000 -0.059 0.000 0.851 57 D CB -0.233 40.548 40.800 -0.033 0.000 0.943 57 D HN 0.449 nan 8.370 nan 0.000 0.488 58 I N 0.317 120.722 120.570 -0.274 0.000 2.315 58 I HA -0.239 3.931 4.170 0.001 0.000 0.248 58 I C 2.017 178.051 176.117 -0.137 0.000 1.117 58 I CA 1.033 62.131 61.300 -0.337 0.000 1.404 58 I CB -0.227 37.374 38.000 -0.664 0.000 1.071 58 I HN 0.082 nan 8.210 nan 0.000 0.419 59 H N 0.439 119.481 119.070 -0.047 0.000 2.357 59 H HA -0.120 4.437 4.556 0.001 0.000 0.301 59 H C 2.023 177.289 175.328 -0.103 0.000 1.082 59 H CA 1.193 57.209 56.048 -0.054 0.000 1.342 59 H CB 0.025 29.741 29.762 -0.077 0.000 1.389 59 H HN 0.318 nan 8.280 nan 0.000 0.511 60 E N -0.029 120.137 120.200 -0.058 0.000 2.204 60 E HA -0.119 4.231 4.350 0.001 0.000 0.195 60 E C 1.769 178.391 176.600 0.037 0.000 0.990 60 E CA 1.383 57.755 56.400 -0.046 0.000 0.821 60 E CB 0.064 29.735 29.700 -0.048 0.000 0.750 60 E HN 0.410 nan 8.360 nan 0.000 0.477 61 T N 1.729 116.333 114.554 0.083 0.000 2.851 61 T HA -0.055 4.295 4.350 0.001 0.000 0.262 61 T C 1.927 176.688 174.700 0.101 0.000 1.043 61 T CA 0.776 62.947 62.100 0.118 0.000 1.140 61 T CB -0.052 68.957 68.868 0.235 0.000 0.872 61 T HN 0.249 nan 8.240 nan 0.000 0.446 62 I N 0.833 121.494 120.570 0.152 0.000 2.394 62 I HA -0.046 4.124 4.170 0.001 0.000 0.251 62 I C 1.992 178.146 176.117 0.061 0.000 1.136 62 I CA 1.521 62.896 61.300 0.125 0.000 1.425 62 I CB -0.942 37.170 38.000 0.187 0.000 1.079 62 I HN 0.239 nan 8.210 nan 0.000 0.425 63 I N 1.781 122.389 120.570 0.063 0.000 2.113 63 I HA -0.312 3.858 4.170 0.001 0.000 0.238 63 I C 2.777 178.851 176.117 -0.070 0.000 1.070 63 I CA 1.952 63.269 61.300 0.028 0.000 1.332 63 I CB -0.479 37.575 38.000 0.090 0.000 1.044 63 I HN 0.227 nan 8.210 nan 0.000 0.402 64 K N 1.248 121.630 120.400 -0.029 0.000 2.103 64 K HA -0.190 4.130 4.320 0.001 0.000 0.207 64 K C 2.103 178.640 176.600 -0.105 0.000 1.048 64 K CA 1.489 57.740 56.287 -0.060 0.000 0.930 64 K CB -0.116 32.385 32.500 0.002 0.000 0.716 64 K HN 0.317 nan 8.250 nan 0.000 0.444 65 A N 0.930 123.705 122.820 -0.076 0.000 1.898 65 A HA -0.068 4.253 4.320 0.001 0.000 0.216 65 A C 2.359 179.852 177.584 -0.152 0.000 1.181 65 A CA 1.744 53.721 52.037 -0.099 0.000 0.620 65 A CB -0.903 18.058 19.000 -0.066 0.000 0.819 65 A HN 0.477 nan 8.150 nan 0.000 0.442 66 A N -0.044 122.704 122.820 -0.119 0.000 1.902 66 A HA 0.132 4.453 4.320 0.001 0.000 0.217 66 A C 2.516 179.958 177.584 -0.235 0.000 1.181 66 A CA 2.188 54.160 52.037 -0.108 0.000 0.623 66 A CB -1.072 17.930 19.000 0.003 0.000 0.818 66 A HN 1.091 nan 8.150 nan 0.000 0.443 67 A N -0.084 122.528 122.820 -0.346 0.000 1.940 67 A HA -0.197 4.123 4.320 0.001 0.000 0.219 67 A C 1.686 179.106 177.584 -0.273 0.000 1.176 67 A CA 1.882 53.633 52.037 -0.476 0.000 0.631 67 A CB -0.598 17.954 19.000 -0.747 0.000 0.814 67 A HN 0.449 nan 8.150 nan 0.000 0.446 68 D N -0.494 119.771 120.400 -0.226 0.000 2.310 68 D HA -0.031 4.609 4.640 0.001 0.000 0.212 68 D C 1.412 177.568 176.300 -0.240 0.000 0.965 68 D CA 0.686 54.577 54.000 -0.181 0.000 0.879 68 D CB -0.092 40.622 40.800 -0.143 0.000 0.921 68 D HN 0.450 nan 8.370 nan 0.000 0.510 69 L N 0.321 121.313 121.223 -0.385 0.000 2.592 69 L HA 0.177 4.517 4.340 0.001 0.000 0.227 69 L C 0.579 177.195 176.870 -0.423 0.000 1.127 69 L CA -0.131 54.353 54.840 -0.593 0.000 0.884 69 L CB 0.290 41.589 42.059 -1.266 0.000 1.065 69 L HN -0.152 nan 8.230 nan 0.000 0.457 70 I N 0.534 120.983 120.570 -0.201 0.000 2.587 70 I HA -0.009 4.161 4.170 0.001 0.000 0.284 70 I C 0.593 176.677 176.117 -0.056 0.000 1.134 70 I CA 0.499 61.775 61.300 -0.040 0.000 1.410 70 I CB 0.205 38.186 38.000 -0.032 0.000 1.392 70 I HN 0.183 nan 8.210 nan 0.000 0.545 71 S N 6.073 121.756 115.700 -0.028 0.000 2.638 71 S HA 0.442 4.912 4.470 0.001 0.000 0.274 71 S C 0.735 175.259 174.600 -0.127 0.000 1.157 71 S CA -1.130 57.026 58.200 -0.074 0.000 0.826 71 S CB 1.753 64.916 63.200 -0.062 0.000 1.139 71 S HN 0.697 nan 8.310 nan 0.000 0.474 72 R N 0.623 120.978 120.500 -0.243 0.000 2.189 72 R HA -0.048 4.292 4.340 0.001 0.000 0.223 72 R C 0.179 176.299 176.300 -0.301 0.000 1.092 72 R CA 1.519 57.299 56.100 -0.533 0.000 0.989 72 R CB -0.919 28.795 30.300 -0.977 0.000 0.876 72 R HN 0.695 nan 8.270 nan 0.000 0.457 73 D N 1.271 121.602 120.400 -0.116 0.000 2.213 73 D HA 0.043 4.683 4.640 0.001 0.000 0.205 73 D C 0.172 176.490 176.300 0.031 0.000 0.961 73 D CA 1.140 55.132 54.000 -0.013 0.000 0.853 73 D CB 0.366 41.161 40.800 -0.008 0.000 0.967 73 D HN 0.353 nan 8.370 nan 0.000 0.496 74 A N 1.670 124.525 122.820 0.058 0.000 2.978 74 A HA 0.322 4.642 4.320 0.001 0.000 0.341 74 A C -1.858 175.804 177.584 0.131 0.000 1.105 74 A CA -0.999 51.112 52.037 0.123 0.000 0.819 74 A CB 0.960 20.133 19.000 0.288 0.000 1.080 74 A HN -0.116 nan 8.150 nan 0.000 0.476 75 P HA -0.073 nan 4.420 nan 0.000 0.229 75 P C 0.196 177.539 177.300 0.073 0.000 1.160 75 P CA 0.911 64.043 63.100 0.054 0.000 0.777 75 P CB 0.368 32.105 31.700 0.062 0.000 0.814 76 D N -1.203 119.224 120.400 0.046 0.000 2.348 76 D HA -0.098 4.542 4.640 0.001 0.000 0.216 76 D C 1.508 177.783 176.300 -0.042 0.000 0.970 76 D CA 0.671 54.694 54.000 0.037 0.000 0.889 76 D CB -0.752 40.021 40.800 -0.045 0.000 0.912 76 D HN 0.193 nan 8.370 nan 0.000 0.524 77 Y N 0.883 121.176 120.300 -0.011 0.000 2.403 77 Y HA -0.120 4.430 4.550 0.001 0.000 0.291 77 Y C 2.412 178.254 175.900 -0.097 0.000 1.143 77 Y CA 0.803 58.868 58.100 -0.058 0.000 1.257 77 Y CB -0.250 38.160 38.460 -0.083 0.000 0.984 77 Y HN 0.051 nan 8.280 nan 0.000 0.550 78 Q N -1.227 118.583 119.800 0.017 0.000 2.181 78 Q HA -0.237 4.103 4.340 0.001 0.000 0.205 78 Q C 1.162 177.006 176.000 -0.260 0.000 0.980 78 Q CA 1.813 57.525 55.803 -0.151 0.000 0.862 78 Q CB -0.132 28.424 28.738 -0.303 0.000 0.905 78 Q HN 0.590 nan 8.270 nan 0.000 0.429 79 Y N -1.438 118.891 120.300 0.048 0.000 2.503 79 Y HA -0.030 4.520 4.550 0.000 0.000 0.277 79 Y C 1.657 177.555 175.900 -0.003 0.000 1.102 79 Y CA 0.104 58.223 58.100 0.032 0.000 1.261 79 Y CB 0.003 38.455 38.460 -0.014 0.000 1.096 79 Y HN 0.105 nan 8.280 nan 0.000 0.546 80 L N 0.333 121.604 121.223 0.081 0.000 2.046 80 L HA -0.130 4.210 4.340 0.001 0.000 0.208 80 L C 2.324 179.226 176.870 0.053 0.000 1.077 80 L CA 2.056 56.907 54.840 0.020 0.000 0.747 80 L CB -0.753 41.297 42.059 -0.015 0.000 0.896 80 L HN 0.135 nan 8.230 nan 0.000 0.432 81 A N -0.768 122.071 122.820 0.033 0.000 1.929 81 A HA 0.004 4.324 4.320 0.001 0.000 0.216 81 A C 2.424 180.112 177.584 0.175 0.000 1.176 81 A CA 1.432 53.447 52.037 -0.036 0.000 0.628 81 A CB -1.040 17.699 19.000 -0.435 0.000 0.816 81 A HN 0.543 nan 8.150 nan 0.000 0.444 82 A N 0.023 122.998 122.820 0.257 0.000 1.877 82 A HA -0.167 4.153 4.320 0.001 0.000 0.216 82 A C 2.248 180.024 177.584 0.320 0.000 1.186 82 A CA 1.604 53.849 52.037 0.346 0.000 0.620 82 A CB -0.491 18.693 19.000 0.305 0.000 0.822 82 A HN 0.526 nan 8.150 nan 0.000 0.443 83 R N -0.620 120.031 120.500 0.251 0.000 2.083 83 R HA -0.082 4.259 4.340 0.001 0.000 0.237 83 R C 2.130 178.672 176.300 0.403 0.000 1.137 83 R CA 1.597 57.837 56.100 0.232 0.000 0.951 83 R CB -0.587 29.652 30.300 -0.102 0.000 0.851 83 R HN 0.522 nan 8.270 nan 0.000 0.434 84 L N 0.048 121.453 121.223 0.304 0.000 2.042 84 L HA -0.210 4.130 4.340 0.001 0.000 0.210 84 L C 2.678 179.772 176.870 0.374 0.000 1.076 84 L CA 1.416 56.451 54.840 0.324 0.000 0.749 84 L CB -0.597 41.571 42.059 0.182 0.000 0.893 84 L HN 0.283 nan 8.230 nan 0.000 0.432 85 A N -0.117 122.908 122.820 0.342 0.000 1.933 85 A HA -0.177 4.144 4.320 0.001 0.000 0.218 85 A C 2.184 179.969 177.584 0.335 0.000 1.175 85 A CA 1.347 53.589 52.037 0.343 0.000 0.628 85 A CB -0.481 18.726 19.000 0.345 0.000 0.814 85 A HN 0.276 nan 8.150 nan 0.000 0.444 86 I N -1.543 119.251 120.570 0.372 0.000 2.252 86 I HA -0.177 3.994 4.170 0.001 0.000 0.245 86 I C 2.268 178.625 176.117 0.399 0.000 1.102 86 I CA 1.043 62.558 61.300 0.359 0.000 1.385 86 I CB -1.407 36.864 38.000 0.451 0.000 1.064 86 I HN 0.460 nan 8.210 nan 0.000 0.414 87 F N 1.467 121.650 119.950 0.389 0.000 2.091 87 F HA -0.334 4.193 4.527 0.001 0.000 0.299 87 F C 2.902 178.762 175.800 0.100 0.000 1.103 87 F CA 2.357 60.526 58.000 0.282 0.000 1.228 87 F CB -0.464 38.625 39.000 0.147 0.000 0.984 87 F HN 0.205 nan 8.300 nan 0.000 0.477 88 H N 0.040 119.243 119.070 0.222 0.000 2.387 88 H HA -0.129 4.427 4.556 0.001 0.000 0.299 88 H C 1.985 177.288 175.328 -0.042 0.000 1.090 88 H CA 2.293 58.347 56.048 0.010 0.000 1.332 88 H CB -0.415 29.387 29.762 0.067 0.000 1.386 88 H HN 0.372 nan 8.280 nan 0.000 0.516 89 L N -0.413 120.746 121.223 -0.107 0.000 2.217 89 L HA -0.090 4.250 4.340 0.001 0.000 0.211 89 L C 2.635 179.312 176.870 -0.322 0.000 1.107 89 L CA 0.564 55.267 54.840 -0.228 0.000 0.783 89 L CB -0.242 41.756 42.059 -0.101 0.000 0.919 89 L HN 0.223 nan 8.230 nan 0.000 0.442 90 R N 0.570 120.915 120.500 -0.259 0.000 2.070 90 R HA -0.132 4.209 4.340 0.001 0.000 0.233 90 R C 2.190 178.284 176.300 -0.343 0.000 1.137 90 R CA 1.250 57.155 56.100 -0.324 0.000 0.945 90 R CB -0.518 29.647 30.300 -0.226 0.000 0.845 90 R HN 0.367 nan 8.270 nan 0.000 0.430 91 K N 0.723 120.934 120.400 -0.316 0.000 2.020 91 K HA -0.187 4.133 4.320 0.001 0.000 0.212 91 K C 2.039 178.493 176.600 -0.244 0.000 1.050 91 K CA 1.366 57.506 56.287 -0.245 0.000 0.929 91 K CB -0.191 32.179 32.500 -0.216 0.000 0.714 91 K HN -0.117 nan 8.250 nan 0.000 0.443 92 K N 0.355 120.547 120.400 -0.346 0.000 2.360 92 K HA -0.129 4.192 4.320 0.001 0.000 0.201 92 K C 1.399 177.826 176.600 -0.288 0.000 1.046 92 K CA 1.342 57.437 56.287 -0.321 0.000 0.940 92 K CB 0.013 32.260 32.500 -0.421 0.000 0.748 92 K HN 0.250 nan 8.250 nan 0.000 0.465 93 A N -1.849 120.735 122.820 -0.394 0.000 2.026 93 A HA 0.159 4.479 4.320 0.001 0.000 0.198 93 A C 0.937 178.353 177.584 -0.280 0.000 1.390 93 A CA 0.095 51.854 52.037 -0.463 0.000 0.915 93 A CB 0.044 18.520 19.000 -0.874 0.000 0.974 93 A HN 0.245 nan 8.150 nan 0.000 0.477 94 Y N -1.302 118.961 120.300 -0.061 0.000 2.426 94 Y HA 0.410 4.960 4.550 0.001 0.000 0.249 94 Y C 1.866 177.734 175.900 -0.055 0.000 1.103 94 Y CA -0.331 57.740 58.100 -0.049 0.000 1.256 94 Y CB 0.121 38.520 38.460 -0.102 0.000 1.208 94 Y HN 0.431 nan 8.280 nan 0.000 0.519 95 G N 0.612 109.434 108.800 0.036 0.000 2.234 95 G HA2 -0.260 3.700 3.960 0.001 0.000 0.260 95 G HA3 -0.260 3.700 3.960 0.001 0.000 0.260 95 G C 0.170 175.066 174.900 -0.007 0.000 0.987 95 G CA 0.650 45.756 45.100 0.009 0.000 0.625 95 G HN 0.485 nan 8.290 nan 0.000 0.532 96 Q N -2.239 117.561 119.800 -0.000 0.000 2.693 96 Q HA 0.761 5.101 4.340 0.001 0.000 0.306 96 Q C 0.612 176.576 176.000 -0.060 0.000 0.969 96 Q CA -0.815 54.969 55.803 -0.032 0.000 0.757 96 Q CB 0.382 29.117 28.738 -0.006 0.000 1.494 96 Q HN 0.321 nan 8.270 nan 0.000 0.459 97 F N 0.823 120.608 119.950 -0.274 0.000 2.118 97 F HA 0.121 4.649 4.527 0.001 0.000 0.293 97 F C 0.652 176.338 175.800 -0.190 0.000 1.102 97 F CA 1.066 58.860 58.000 -0.344 0.000 1.247 97 F CB 0.372 39.116 39.000 -0.426 0.000 1.017 97 F HN 0.504 nan 8.300 nan 0.000 0.475 98 E N 3.063 123.154 120.200 -0.182 0.000 2.328 98 E HA 0.077 4.427 4.350 0.001 0.000 0.265 98 E C -2.215 174.168 176.600 -0.362 0.000 1.057 98 E CA -1.642 54.589 56.400 -0.281 0.000 0.916 98 E CB 0.234 29.873 29.700 -0.103 0.000 0.993 98 E HN 0.139 nan 8.360 nan 0.000 0.446 99 P HA 0.113 nan 4.420 nan 0.000 0.272 99 P C -2.308 174.685 177.300 -0.512 0.000 1.230 99 P CA -1.037 61.514 63.100 -0.916 0.000 0.788 99 P CB -0.102 30.779 31.700 -1.365 0.000 0.949 100 P HA 0.141 nan 4.420 nan 0.000 0.274 100 P C -0.706 176.617 177.300 0.039 0.000 1.256 100 P CA -0.318 62.698 63.100 -0.141 0.000 0.795 100 P CB 0.296 31.934 31.700 -0.102 0.000 1.038 101 A N 0.824 123.666 122.820 0.036 0.000 2.462 101 A HA 0.036 4.356 4.320 0.001 0.000 0.243 101 A C 1.385 178.990 177.584 0.034 0.000 1.076 101 A CA -0.376 51.704 52.037 0.072 0.000 0.773 101 A CB -0.589 18.442 19.000 0.051 0.000 1.010 101 A HN 0.626 nan 8.150 nan 0.000 0.493 102 L N 2.659 123.899 121.223 0.030 0.000 2.043 102 L HA -0.217 4.123 4.340 0.001 0.000 0.212 102 L C 1.999 178.734 176.870 -0.226 0.000 1.075 102 L CA 2.600 57.335 54.840 -0.175 0.000 0.752 102 L CB -1.156 40.879 42.059 -0.040 0.000 0.891 102 L HN 0.877 nan 8.230 nan 0.000 0.432 103 Y N 0.517 120.676 120.300 -0.234 0.000 2.097 103 Y HA -0.278 4.272 4.550 0.000 0.000 0.282 103 Y C 2.386 178.107 175.900 -0.298 0.000 1.152 103 Y CA 2.197 60.081 58.100 -0.361 0.000 1.136 103 Y CB -0.426 37.930 38.460 -0.174 0.000 0.975 103 Y HN 0.349 nan 8.280 nan 0.000 0.498 104 D N -1.214 119.094 120.400 -0.154 0.000 2.104 104 D HA -0.247 4.393 4.640 0.001 0.000 0.194 104 D C 2.012 178.165 176.300 -0.246 0.000 0.994 104 D CA 1.977 55.863 54.000 -0.190 0.000 0.830 104 D CB -0.712 40.060 40.800 -0.047 0.000 0.959 104 D HN 0.530 nan 8.370 nan 0.000 0.452 105 H N 1.029 119.918 119.070 -0.301 0.000 2.289 105 H HA -0.123 4.434 4.556 0.001 0.000 0.296 105 H C 2.058 177.181 175.328 -0.341 0.000 1.091 105 H CA 1.993 57.857 56.048 -0.306 0.000 1.274 105 H CB -0.365 29.131 29.762 -0.443 0.000 1.364 105 H HN -0.094 nan 8.280 nan 0.000 0.490 106 V N -0.290 119.338 119.914 -0.477 0.000 2.295 106 V HA -0.262 3.858 4.120 0.001 0.000 0.246 106 V C 2.717 178.534 176.094 -0.461 0.000 1.049 106 V CA 1.583 63.633 62.300 -0.417 0.000 1.024 106 V CB -0.750 30.722 31.823 -0.585 0.000 0.648 106 V HN 0.356 nan 8.190 nan 0.000 0.447 107 V N 0.054 119.600 119.914 -0.613 0.000 2.252 107 V HA -0.373 3.747 4.120 0.001 0.000 0.249 107 V C 2.480 178.358 176.094 -0.359 0.000 1.056 107 V CA 2.628 64.622 62.300 -0.511 0.000 1.022 107 V CB -0.726 30.731 31.823 -0.610 0.000 0.641 107 V HN 0.580 nan 8.190 nan 0.000 0.445 108 K N -0.806 119.377 120.400 -0.363 0.000 2.063 108 K HA -0.208 4.112 4.320 0.001 0.000 0.208 108 K C 2.169 178.543 176.600 -0.377 0.000 1.048 108 K CA 1.728 57.829 56.287 -0.311 0.000 0.928 108 K CB -0.132 32.208 32.500 -0.267 0.000 0.713 108 K HN 0.289 nan 8.250 nan 0.000 0.442 109 M N 0.482 119.762 119.600 -0.533 0.000 2.254 109 M HA -0.096 4.384 4.480 0.001 0.000 0.265 109 M C 2.198 178.255 176.300 -0.405 0.000 1.066 109 M CA 0.874 55.776 55.300 -0.663 0.000 1.123 109 M CB -0.373 31.428 32.600 -1.333 0.000 1.388 109 M HN 0.009 nan 8.290 nan 0.000 0.425 110 V N 0.062 119.821 119.914 -0.259 0.000 2.379 110 V HA -0.222 3.899 4.120 0.001 0.000 0.245 110 V C 2.268 178.281 176.094 -0.136 0.000 1.044 110 V CA 1.646 63.869 62.300 -0.128 0.000 1.036 110 V CB -0.711 31.058 31.823 -0.091 0.000 0.664 110 V HN 0.451 nan 8.190 nan 0.000 0.453 111 E N -0.143 119.957 120.200 -0.167 0.000 2.049 111 E HA -0.273 4.077 4.350 0.001 0.000 0.198 111 E C 2.159 178.670 176.600 -0.148 0.000 1.007 111 E CA 1.808 58.123 56.400 -0.141 0.000 0.809 111 E CB -0.180 29.428 29.700 -0.152 0.000 0.749 111 E HN 0.508 nan 8.360 nan 0.000 0.450 112 M N -1.137 118.337 119.600 -0.209 0.000 2.632 112 M HA 0.005 4.485 4.480 0.001 0.000 0.256 112 M C 1.233 177.417 176.300 -0.192 0.000 1.080 112 M CA 0.933 56.096 55.300 -0.229 0.000 1.084 112 M CB 0.413 32.799 32.600 -0.356 0.000 1.439 112 M HN 0.368 nan 8.290 nan 0.000 0.509 113 G N 0.452 109.159 108.800 -0.155 0.000 2.143 113 G HA2 -0.241 3.719 3.960 0.001 0.000 0.248 113 G HA3 -0.241 3.719 3.960 0.001 0.000 0.248 113 G C 0.949 175.799 174.900 -0.083 0.000 0.991 113 G CA 0.276 45.321 45.100 -0.092 0.000 0.689 113 G HN 0.305 nan 8.290 nan 0.000 0.522 114 K N -1.203 119.104 120.400 -0.155 0.000 2.308 114 K HA 0.222 4.542 4.320 0.001 0.000 0.197 114 K C 0.492 177.128 176.600 0.059 0.000 1.049 114 K CA 0.463 56.678 56.287 -0.121 0.000 0.991 114 K CB 0.149 32.467 32.500 -0.304 0.000 0.836 114 K HN 0.411 nan 8.250 nan 0.000 0.500 115 Y N 1.367 121.616 120.300 -0.086 0.000 2.419 115 Y HA 0.188 4.739 4.550 0.001 0.000 0.328 115 Y C 0.545 176.429 175.900 -0.027 0.000 1.162 115 Y CA -2.282 55.787 58.100 -0.052 0.000 1.174 115 Y CB 0.452 38.845 38.460 -0.111 0.000 1.228 115 Y HN -0.046 nan 8.280 nan 0.000 0.473 116 D N 1.536 122.043 120.400 0.178 0.000 2.424 116 D HA -0.100 4.540 4.640 0.001 0.000 0.244 116 D C 1.027 177.375 176.300 0.079 0.000 1.134 116 D CA 0.276 54.360 54.000 0.141 0.000 0.881 116 D CB 0.683 41.630 40.800 0.246 0.000 1.191 116 D HN 0.764 nan 8.370 nan 0.000 0.445 117 N N 2.774 121.528 118.700 0.091 0.000 2.272 117 N HA -0.285 4.455 4.740 0.001 0.000 0.185 117 N C 1.664 177.234 175.510 0.099 0.000 1.014 117 N CA 0.962 54.055 53.050 0.072 0.000 0.870 117 N CB -0.102 38.425 38.487 0.067 0.000 0.975 117 N HN 0.604 nan 8.380 nan 0.000 0.433 118 H N 0.365 119.508 119.070 0.121 0.000 2.457 118 H HA -0.061 4.496 4.556 0.001 0.000 0.297 118 H C 2.124 177.572 175.328 0.199 0.000 1.092 118 H CA 1.218 57.351 56.048 0.142 0.000 1.309 118 H CB -0.556 29.294 29.762 0.147 0.000 1.382 118 H HN 0.204 nan 8.280 nan 0.000 0.535 119 L N -0.169 120.851 121.223 -0.338 0.000 2.042 119 L HA -0.165 4.176 4.340 0.001 0.000 0.210 119 L C 2.509 179.594 176.870 0.358 0.000 1.076 119 L CA 1.297 56.117 54.840 -0.035 0.000 0.749 119 L CB -0.336 41.704 42.059 -0.032 0.000 0.893 119 L HN 0.344 nan 8.230 nan 0.000 0.432 120 L N -1.035 120.349 121.223 0.267 0.000 2.109 120 L HA -0.148 4.193 4.340 0.001 0.000 0.207 120 L C 2.463 179.499 176.870 0.276 0.000 1.086 120 L CA 0.980 56.025 54.840 0.341 0.000 0.760 120 L CB -0.380 41.781 42.059 0.170 0.000 0.910 120 L HN 0.243 nan 8.230 nan 0.000 0.437 121 E N 0.057 120.375 120.200 0.197 0.000 2.110 121 E HA -0.209 4.141 4.350 0.001 0.000 0.193 121 E C 1.292 177.964 176.600 0.119 0.000 0.988 121 E CA 1.263 57.752 56.400 0.149 0.000 0.804 121 E CB 0.016 29.799 29.700 0.140 0.000 0.745 121 E HN 0.464 nan 8.360 nan 0.000 0.458 122 D N -1.199 119.287 120.400 0.144 0.000 2.333 122 D HA 0.022 4.662 4.640 0.001 0.000 0.208 122 D C -0.393 175.717 176.300 -0.317 0.000 0.984 122 D CA 0.720 54.701 54.000 -0.031 0.000 0.873 122 D CB 0.290 41.129 40.800 0.065 0.000 0.935 122 D HN 0.106 nan 8.370 nan 0.000 0.521 123 Y N -0.262 120.013 120.300 -0.042 0.000 2.477 123 Y HA 0.298 4.848 4.550 0.001 0.000 0.347 123 Y C 0.655 176.502 175.900 -0.087 0.000 0.981 123 Y CA -1.327 56.629 58.100 -0.240 0.000 1.033 123 Y CB 1.566 39.540 38.460 -0.810 0.000 1.245 123 Y HN -0.311 nan 8.280 nan 0.000 0.455 124 T N -2.316 112.272 114.554 0.056 0.000 2.882 124 T HA 0.132 4.482 4.350 0.001 0.000 0.287 124 T C 1.061 175.867 174.700 0.177 0.000 1.014 124 T CA -0.506 61.658 62.100 0.107 0.000 1.049 124 T CB 1.355 70.239 68.868 0.027 0.000 1.001 124 T HN 0.889 nan 8.240 nan 0.000 0.525 125 E N 0.334 120.594 120.200 0.100 0.000 2.118 125 E HA -0.238 4.112 4.350 0.001 0.000 0.195 125 E C 1.625 178.166 176.600 -0.099 0.000 0.992 125 E CA 1.453 57.736 56.400 -0.194 0.000 0.804 125 E CB -0.039 29.220 29.700 -0.736 0.000 0.741 125 E HN 0.773 nan 8.360 nan 0.000 0.458 126 E N 0.870 121.027 120.200 -0.072 0.000 2.038 126 E HA -0.206 4.144 4.350 0.001 0.000 0.195 126 E C 1.928 178.504 176.600 -0.039 0.000 1.000 126 E CA 1.674 58.040 56.400 -0.057 0.000 0.803 126 E CB -0.132 29.541 29.700 -0.045 0.000 0.750 126 E HN 0.349 nan 8.360 nan 0.000 0.448 127 E N -0.651 119.530 120.200 -0.031 0.000 2.077 127 E HA -0.171 4.179 4.350 0.001 0.000 0.193 127 E C 1.882 178.415 176.600 -0.112 0.000 0.989 127 E CA 0.860 57.224 56.400 -0.059 0.000 0.800 127 E CB -0.229 29.465 29.700 -0.010 0.000 0.746 127 E HN 0.182 nan 8.360 nan 0.000 0.452 128 F N 1.560 121.506 119.950 -0.007 0.000 2.126 128 F HA -0.219 4.309 4.527 0.001 0.000 0.299 128 F C 2.261 178.002 175.800 -0.097 0.000 1.096 128 F CA 1.158 59.136 58.000 -0.037 0.000 1.255 128 F CB -0.201 38.869 39.000 0.118 0.000 0.997 128 F HN -0.132 nan 8.300 nan 0.000 0.479 129 K N 0.045 120.492 120.400 0.078 0.000 2.097 129 K HA -0.216 4.105 4.320 0.001 0.000 0.206 129 K C 2.093 178.608 176.600 -0.141 0.000 1.049 129 K CA 1.173 57.444 56.287 -0.027 0.000 0.933 129 K CB -0.607 31.864 32.500 -0.049 0.000 0.717 129 K HN 0.422 nan 8.250 nan 0.000 0.442 130 Q N 0.115 119.794 119.800 -0.202 0.000 2.123 130 Q HA 0.003 4.343 4.340 0.001 0.000 0.199 130 Q C 2.128 177.618 176.000 -0.850 0.000 0.966 130 Q CA 0.874 56.439 55.803 -0.396 0.000 0.845 130 Q CB 0.119 28.694 28.738 -0.273 0.000 0.907 130 Q HN 0.261 nan 8.270 nan 0.000 0.439 131 M N 0.229 119.463 119.600 -0.611 0.000 2.213 131 M HA -0.173 4.307 4.480 0.001 0.000 0.263 131 M C 1.436 177.486 176.300 -0.416 0.000 1.062 131 M CA 1.245 56.190 55.300 -0.591 0.000 1.105 131 M CB -0.112 32.380 32.600 -0.180 0.000 1.385 131 M HN 0.117 nan 8.290 nan 0.000 0.417 132 D N -0.113 120.141 120.400 -0.243 0.000 2.263 132 D HA -0.126 4.514 4.640 0.001 0.000 0.208 132 D C 1.883 178.089 176.300 -0.156 0.000 0.971 132 D CA 1.670 55.601 54.000 -0.115 0.000 0.867 132 D CB 0.104 40.890 40.800 -0.023 0.000 0.929 132 D HN 0.408 nan 8.370 nan 0.000 0.492 133 T N -2.823 111.564 114.554 -0.278 0.000 3.067 133 T HA -0.030 4.321 4.350 0.001 0.000 0.261 133 T C 1.683 176.348 174.700 -0.058 0.000 1.110 133 T CA 0.159 62.153 62.100 -0.176 0.000 1.113 133 T CB -0.436 68.324 68.868 -0.179 0.000 0.917 133 T HN -0.063 nan 8.240 nan 0.000 0.499 134 F N 1.882 121.761 119.950 -0.118 0.000 2.234 134 F HA 0.417 4.944 4.527 0.000 0.000 0.296 134 F C 1.294 176.958 175.800 -0.227 0.000 1.089 134 F CA -1.541 56.367 58.000 -0.155 0.000 1.343 134 F CB -0.899 37.968 39.000 -0.220 0.000 1.040 134 F HN 0.161 nan 8.300 nan 0.000 0.498 135 I N 1.613 122.069 120.570 -0.190 0.000 2.752 135 I HA -0.096 4.074 4.170 0.001 0.000 0.289 135 I C -0.046 176.001 176.117 -0.116 0.000 1.197 135 I CA 0.501 61.619 61.300 -0.303 0.000 1.432 135 I CB 0.041 37.808 38.000 -0.388 0.000 1.359 135 I HN -0.051 nan 8.210 nan 0.000 0.571 136 D N 5.585 126.001 120.400 0.026 0.000 2.454 136 D HA 0.175 4.815 4.640 0.001 0.000 0.247 136 D C 0.846 177.151 176.300 0.008 0.000 1.129 136 D CA -0.362 53.649 54.000 0.017 0.000 0.877 136 D CB 0.578 41.424 40.800 0.077 0.000 1.082 136 D HN 0.381 nan 8.370 nan 0.000 0.537 137 H N 1.940 121.045 119.070 0.058 0.000 2.491 137 H HA -0.052 4.504 4.556 0.001 0.000 0.290 137 H C 0.566 175.941 175.328 0.078 0.000 1.050 137 H CA 0.742 56.801 56.048 0.017 0.000 1.309 137 H CB 0.408 30.101 29.762 -0.115 0.000 1.392 137 H HN 0.470 nan 8.280 nan 0.000 0.554 138 D N 0.452 120.972 120.400 0.199 0.000 2.218 138 D HA -0.097 4.543 4.640 0.001 0.000 0.204 138 D C 2.085 178.468 176.300 0.139 0.000 0.976 138 D CA 0.519 54.637 54.000 0.196 0.000 0.853 138 D CB -0.039 40.852 40.800 0.152 0.000 0.939 138 D HN 0.329 nan 8.370 nan 0.000 0.481 139 R N 0.486 121.035 120.500 0.082 0.000 2.193 139 R HA -0.089 4.251 4.340 0.001 0.000 0.229 139 R C 0.983 177.265 176.300 -0.029 0.000 1.110 139 R CA 0.737 56.817 56.100 -0.034 0.000 0.988 139 R CB -0.177 30.044 30.300 -0.131 0.000 0.871 139 R HN 0.200 nan 8.270 nan 0.000 0.458 140 D N 0.725 121.248 120.400 0.206 0.000 2.271 140 D HA -0.148 4.492 4.640 0.001 0.000 0.207 140 D C 1.303 177.850 176.300 0.411 0.000 0.983 140 D CA 1.131 55.404 54.000 0.454 0.000 0.878 140 D CB 0.020 41.092 40.800 0.453 0.000 0.920 140 D HN 0.039 nan 8.370 nan 0.000 0.479 141 M N -0.404 119.342 119.600 0.244 0.000 2.659 141 M HA -0.006 4.474 4.480 0.001 0.000 0.243 141 M C 1.496 177.862 176.300 0.110 0.000 1.111 141 M CA 0.722 56.130 55.300 0.180 0.000 1.070 141 M CB -0.344 32.313 32.600 0.096 0.000 1.525 141 M HN 0.004 nan 8.290 nan 0.000 0.517 142 T N -3.615 110.971 114.554 0.052 0.000 3.054 142 T HA 0.245 4.595 4.350 0.001 0.000 0.255 142 T C 0.336 175.185 174.700 0.248 0.000 1.035 142 T CA -0.384 61.745 62.100 0.048 0.000 0.941 142 T CB -0.344 68.528 68.868 0.008 0.000 1.026 142 T HN -0.023 nan 8.240 nan 0.000 0.533 143 F N 3.945 124.152 119.950 0.429 0.000 2.471 143 F HA 0.450 4.977 4.527 0.000 0.000 0.353 143 F C 1.354 177.346 175.800 0.321 0.000 1.113 143 F CA -0.913 57.290 58.000 0.338 0.000 1.262 143 F CB 0.562 39.721 39.000 0.264 0.000 1.146 143 F HN 0.149 nan 8.300 nan 0.000 0.578 144 S N 2.674 118.538 115.700 0.273 0.000 2.617 144 S HA 0.129 4.599 4.470 0.001 0.000 0.269 144 S C 0.821 175.429 174.600 0.014 0.000 1.292 144 S CA -0.656 57.436 58.200 -0.180 0.000 1.010 144 S CB 0.527 63.516 63.200 -0.352 0.000 0.944 144 S HN 0.660 nan 8.310 nan 0.000 0.536 145 Y N 2.170 122.385 120.300 -0.140 0.000 2.114 145 Y HA -0.172 4.378 4.550 0.001 0.000 0.282 145 Y C 2.532 178.402 175.900 -0.050 0.000 1.165 145 Y CA 2.134 60.202 58.100 -0.052 0.000 1.148 145 Y CB -1.168 37.260 38.460 -0.053 0.000 0.972 145 Y HN 0.855 nan 8.280 nan 0.000 0.504 146 A N 0.497 123.223 122.820 -0.157 0.000 1.917 146 A HA -0.188 4.132 4.320 0.001 0.000 0.219 146 A C 2.480 179.936 177.584 -0.214 0.000 1.182 146 A CA 2.271 54.176 52.037 -0.220 0.000 0.633 146 A CB -1.589 17.349 19.000 -0.103 0.000 0.819 146 A HN 0.656 nan 8.150 nan 0.000 0.448 147 A N -0.486 122.256 122.820 -0.130 0.000 1.865 147 A HA -0.064 4.256 4.320 0.001 0.000 0.217 147 A C 2.216 179.666 177.584 -0.224 0.000 1.191 147 A CA 1.996 53.969 52.037 -0.107 0.000 0.623 147 A CB -1.177 17.871 19.000 0.079 0.000 0.826 147 A HN 0.523 nan 8.150 nan 0.000 0.444 148 V N -0.032 119.762 119.914 -0.200 0.000 2.392 148 V HA -0.276 3.845 4.120 0.001 0.000 0.249 148 V C 2.530 178.460 176.094 -0.273 0.000 1.059 148 V CA 2.505 64.661 62.300 -0.240 0.000 1.051 148 V CB -0.705 31.072 31.823 -0.078 0.000 0.658 148 V HN 0.521 nan 8.190 nan 0.000 0.455 149 K N -0.330 119.855 120.400 -0.358 0.000 2.097 149 K HA -0.110 4.210 4.320 0.001 0.000 0.205 149 K C 2.304 178.743 176.600 -0.269 0.000 1.050 149 K CA 1.053 57.134 56.287 -0.344 0.000 0.938 149 K CB -0.213 32.010 32.500 -0.462 0.000 0.718 149 K HN 0.410 nan 8.250 nan 0.000 0.442 150 Q N -0.008 119.612 119.800 -0.301 0.000 2.123 150 Q HA -0.057 4.283 4.340 0.001 0.000 0.199 150 Q C 2.165 177.887 176.000 -0.463 0.000 0.966 150 Q CA 1.083 56.662 55.803 -0.374 0.000 0.845 150 Q CB -0.122 28.360 28.738 -0.428 0.000 0.907 150 Q HN 0.327 nan 8.270 nan 0.000 0.439 151 L N 0.700 121.688 121.223 -0.391 0.000 2.046 151 L HA -0.190 4.150 4.340 0.001 0.000 0.208 151 L C 2.551 179.339 176.870 -0.137 0.000 1.077 151 L CA 1.312 55.995 54.840 -0.261 0.000 0.747 151 L CB -0.391 41.496 42.059 -0.287 0.000 0.896 151 L HN 0.286 nan 8.230 nan 0.000 0.432 152 E N 0.106 120.213 120.200 -0.155 0.000 2.051 152 E HA -0.186 4.165 4.350 0.001 0.000 0.192 152 E C 2.144 178.701 176.600 -0.072 0.000 0.991 152 E CA 1.270 57.610 56.400 -0.099 0.000 0.799 152 E CB -0.127 29.515 29.700 -0.097 0.000 0.748 152 E HN 0.457 nan 8.360 nan 0.000 0.449 153 G N 0.282 109.023 108.800 -0.098 0.000 2.408 153 G HA2 -0.139 3.821 3.960 0.001 0.000 0.215 153 G HA3 -0.139 3.821 3.960 0.001 0.000 0.215 153 G C 1.449 176.338 174.900 -0.018 0.000 1.156 153 G CA 0.464 45.526 45.100 -0.063 0.000 0.793 153 G HN 0.126 nan 8.290 nan 0.000 0.535 154 K N -1.557 118.827 120.400 -0.025 0.000 2.435 154 K HA 0.245 4.565 4.320 0.001 0.000 0.199 154 K C 1.389 178.241 176.600 0.420 0.000 1.153 154 K CA -0.053 56.317 56.287 0.138 0.000 0.974 154 K CB 0.509 33.067 32.500 0.097 0.000 0.997 154 K HN 0.230 nan 8.250 nan 0.000 0.547 155 Y N 0.917 121.218 120.300 0.002 0.000 2.594 155 Y HA 0.276 4.826 4.550 0.001 0.000 0.283 155 Y C 0.955 176.873 175.900 0.031 0.000 1.140 155 Y CA -0.588 57.521 58.100 0.015 0.000 1.261 155 Y CB 0.017 38.467 38.460 -0.017 0.000 1.358 155 Y HN -0.197 nan 8.280 nan 0.000 0.513 156 L N 0.993 122.322 121.223 0.175 0.000 2.380 156 L HA 0.200 4.540 4.340 0.001 0.000 0.273 156 L C 0.038 176.992 176.870 0.141 0.000 1.138 156 L CA -0.551 54.368 54.840 0.131 0.000 0.832 156 L CB 0.746 42.840 42.059 0.058 0.000 1.124 156 L HN -0.273 nan 8.230 nan 0.000 0.454 157 V N 3.923 123.959 119.914 0.204 0.000 2.599 157 V HA 0.036 4.156 4.120 0.001 0.000 0.300 157 V C 0.352 176.568 176.094 0.204 0.000 1.034 157 V CA 0.280 62.720 62.300 0.234 0.000 1.115 157 V CB 0.588 32.599 31.823 0.313 0.000 0.934 157 V HN 0.952 nan 8.190 nan 0.000 0.485 158 Q N 3.754 123.655 119.800 0.168 0.000 2.685 158 Q HA 0.394 4.734 4.340 0.001 0.000 0.301 158 Q C -1.191 174.858 176.000 0.082 0.000 0.924 158 Q CA -1.035 54.743 55.803 -0.041 0.000 0.755 158 Q CB 1.643 30.322 28.738 -0.099 0.000 1.470 158 Q HN 0.490 nan 8.270 nan 0.000 0.434 159 N N 0.473 119.150 118.700 -0.038 0.000 2.472 159 N HA 0.168 4.908 4.740 0.001 0.000 0.277 159 N C 0.492 176.009 175.510 0.013 0.000 1.081 159 N CA -0.105 52.984 53.050 0.064 0.000 0.973 159 N CB 1.123 39.653 38.487 0.071 0.000 1.105 159 N HN 0.557 nan 8.380 nan 0.000 0.470 160 R N 2.567 123.088 120.500 0.035 0.000 2.088 160 R HA -0.077 4.264 4.340 0.001 0.000 0.232 160 R C 1.639 177.946 176.300 0.012 0.000 1.136 160 R CA 1.229 57.341 56.100 0.021 0.000 0.926 160 R CB -1.105 29.211 30.300 0.026 0.000 0.837 160 R HN 0.497 nan 8.270 nan 0.000 0.429 161 V N 0.698 120.623 119.914 0.019 0.000 2.216 161 V HA -0.238 3.882 4.120 0.001 0.000 0.243 161 V C 2.429 178.529 176.094 0.009 0.000 1.044 161 V CA 2.553 64.862 62.300 0.015 0.000 0.995 161 V CB -1.215 30.619 31.823 0.019 0.000 0.633 161 V HN 0.568 nan 8.190 nan 0.000 0.446 162 T N -1.421 113.140 114.554 0.012 0.000 3.098 162 T HA 0.098 4.448 4.350 0.001 0.000 0.266 162 T C 1.522 176.206 174.700 -0.027 0.000 1.145 162 T CA 0.930 63.031 62.100 0.001 0.000 1.092 162 T CB -0.376 68.501 68.868 0.015 0.000 0.908 162 T HN 1.214 nan 8.240 nan 0.000 0.526 163 G N 1.033 109.810 108.800 -0.038 0.000 2.258 163 G HA2 -0.296 3.664 3.960 0.001 0.000 0.274 163 G HA3 -0.296 3.664 3.960 0.001 0.000 0.274 163 G C -0.225 174.598 174.900 -0.129 0.000 1.021 163 G CA 0.484 45.546 45.100 -0.063 0.000 0.798 163 G HN 0.776 nan 8.290 nan 0.000 0.507 164 E N -0.616 119.460 120.200 -0.206 0.000 2.249 164 E HA 0.535 4.885 4.350 0.001 0.000 0.280 164 E C 0.213 176.407 176.600 -0.677 0.000 1.016 164 E CA -0.795 55.391 56.400 -0.356 0.000 0.830 164 E CB 0.537 30.059 29.700 -0.297 0.000 1.081 164 E HN 0.319 nan 8.360 nan 0.000 0.395 165 I N 4.465 124.705 120.570 -0.551 0.000 2.359 165 I HA 0.078 4.248 4.170 0.001 0.000 0.294 165 I C -0.278 175.546 176.117 -0.488 0.000 0.987 165 I CA -0.315 60.683 61.300 -0.503 0.000 1.225 165 I CB 0.794 38.631 38.000 -0.271 0.000 1.366 165 I HN 0.669 nan 8.210 nan 0.000 0.466 166 Y N 3.278 123.553 120.300 -0.040 0.000 2.442 166 Y HA 0.194 4.745 4.550 0.001 0.000 0.250 166 Y C 0.485 176.476 175.900 0.151 0.000 1.113 166 Y CA -0.534 57.570 58.100 0.008 0.000 1.273 166 Y CB 0.220 38.672 38.460 -0.013 0.000 1.138 166 Y HN 0.521 nan 8.280 nan 0.000 0.522 167 E N -0.898 119.443 120.200 0.236 0.000 2.429 167 E HA 0.620 4.971 4.350 0.001 0.000 0.276 167 E C -0.822 175.850 176.600 0.120 0.000 0.953 167 E CA -1.093 55.520 56.400 0.355 0.000 0.787 167 E CB 1.862 31.896 29.700 0.557 0.000 1.307 167 E HN -0.064 nan 8.360 nan 0.000 0.458 168 S N 0.003 115.804 115.700 0.168 0.000 2.747 168 S HA 0.653 5.123 4.470 0.001 0.000 0.300 168 S C 1.002 175.658 174.600 0.093 0.000 1.121 168 S CA -0.306 57.918 58.200 0.040 0.000 0.995 168 S CB 1.379 64.568 63.200 -0.019 0.000 1.113 168 S HN 0.782 nan 8.310 nan 0.000 0.547 169 A N 0.476 123.345 122.820 0.081 0.000 1.902 169 A HA -0.073 4.247 4.320 0.001 0.000 0.217 169 A C 2.179 179.860 177.584 0.162 0.000 1.181 169 A CA 1.189 53.263 52.037 0.062 0.000 0.623 169 A CB -0.914 18.165 19.000 0.132 0.000 0.818 169 A HN 0.751 nan 8.150 nan 0.000 0.443 170 Q N -1.137 118.845 119.800 0.304 0.000 2.224 170 Q HA -0.059 4.282 4.340 0.001 0.000 0.203 170 Q C 1.688 177.947 176.000 0.431 0.000 0.970 170 Q CA 0.845 56.904 55.803 0.427 0.000 0.865 170 Q CB -0.492 28.413 28.738 0.278 0.000 0.922 170 Q HN 0.687 nan 8.270 nan 0.000 0.445 171 F N 0.754 120.857 119.950 0.254 0.000 2.206 171 F HA -0.078 4.450 4.527 0.001 0.000 0.298 171 F C 2.229 178.148 175.800 0.199 0.000 1.090 171 F CA 0.090 58.209 58.000 0.199 0.000 1.323 171 F CB -1.087 38.007 39.000 0.156 0.000 1.028 171 F HN 0.062 nan 8.300 nan 0.000 0.492 172 L N -1.134 120.300 121.223 0.352 0.000 1.989 172 L HA -0.300 4.041 4.340 0.001 0.000 0.211 172 L C 2.488 179.493 176.870 0.224 0.000 1.071 172 L CA 1.688 56.642 54.840 0.191 0.000 0.749 172 L CB -0.662 41.413 42.059 0.026 0.000 0.890 172 L HN 0.002 nan 8.230 nan 0.000 0.431 173 Y N -0.310 120.184 120.300 0.324 0.000 2.128 173 Y HA -0.293 4.257 4.550 0.000 0.000 0.284 173 Y C 2.394 178.543 175.900 0.415 0.000 1.154 173 Y CA 1.729 60.033 58.100 0.340 0.000 1.149 173 Y CB -0.719 37.935 38.460 0.324 0.000 0.976 173 Y HN 0.229 nan 8.280 nan 0.000 0.505 174 I N -0.370 120.547 120.570 0.578 0.000 2.226 174 I HA -0.272 3.898 4.170 0.001 0.000 0.245 174 I C 1.994 178.240 176.117 0.216 0.000 1.100 174 I CA 1.522 63.019 61.300 0.329 0.000 1.374 174 I CB -0.402 37.646 38.000 0.080 0.000 1.057 174 I HN 0.131 nan 8.210 nan 0.000 0.413 175 L N -1.451 119.873 121.223 0.167 0.000 2.179 175 L HA -0.097 4.243 4.340 0.001 0.000 0.208 175 L C 2.467 179.364 176.870 0.045 0.000 1.096 175 L CA 0.397 55.255 54.840 0.029 0.000 0.779 175 L CB -0.613 41.378 42.059 -0.113 0.000 0.922 175 L HN 0.036 nan 8.230 nan 0.000 0.443 176 V N 0.528 120.519 119.914 0.128 0.000 2.287 176 V HA -0.349 3.771 4.120 0.001 0.000 0.248 176 V C 2.815 178.967 176.094 0.096 0.000 1.053 176 V CA 2.011 64.377 62.300 0.111 0.000 1.027 176 V CB -0.856 31.096 31.823 0.213 0.000 0.646 176 V HN 0.495 nan 8.190 nan 0.000 0.447 177 A N -0.066 122.917 122.820 0.272 0.000 1.865 177 A HA -0.168 4.152 4.320 0.001 0.000 0.217 177 A C 2.443 180.129 177.584 0.170 0.000 1.191 177 A CA 2.326 54.540 52.037 0.295 0.000 0.623 177 A CB -0.965 18.348 19.000 0.521 0.000 0.826 177 A HN 0.605 nan 8.150 nan 0.000 0.444 178 A N -1.194 121.685 122.820 0.099 0.000 1.940 178 A HA -0.178 4.143 4.320 0.001 0.000 0.219 178 A C 2.320 179.984 177.584 0.135 0.000 1.176 178 A CA 1.771 53.819 52.037 0.019 0.000 0.631 178 A CB -1.238 17.579 19.000 -0.304 0.000 0.814 178 A HN 0.613 nan 8.150 nan 0.000 0.446 179 C N -0.855 118.464 119.300 0.030 0.000 2.453 179 C HA -0.005 4.455 4.460 0.001 0.000 0.277 179 C C 2.637 177.476 174.990 -0.252 0.000 1.262 179 C CA 0.940 59.954 59.018 -0.006 0.000 1.718 179 C CB -1.398 26.287 27.740 -0.093 0.000 2.031 179 C HN 0.631 nan 8.230 nan 0.000 0.480 180 L N -0.814 120.170 121.223 -0.398 0.000 2.083 180 L HA -0.105 4.235 4.340 0.001 0.000 0.209 180 L C 1.534 177.978 176.870 -0.710 0.000 1.083 180 L CA 1.682 56.111 54.840 -0.685 0.000 0.752 180 L CB -0.524 40.992 42.059 -0.904 0.000 0.899 180 L HN 0.315 nan 8.230 nan 0.000 0.433 181 F N -0.769 119.022 119.950 -0.265 0.000 2.639 181 F HA 0.051 4.578 4.527 0.000 0.000 0.300 181 F C 2.276 178.076 175.800 -0.001 0.000 1.109 181 F CA 0.091 57.934 58.000 -0.261 0.000 1.335 181 F CB -0.099 38.669 39.000 -0.386 0.000 1.014 181 F HN 0.030 nan 8.300 nan 0.000 0.537 182 S N -0.398 115.399 115.700 0.161 0.000 2.402 182 S HA -0.200 4.270 4.470 0.001 0.000 0.229 182 S C 1.447 176.079 174.600 0.053 0.000 1.021 182 S CA 1.351 59.636 58.200 0.141 0.000 0.974 182 S CB -0.589 62.737 63.200 0.210 0.000 0.800 182 S HN 0.534 nan 8.310 nan 0.000 0.484 183 N N -0.275 118.487 118.700 0.104 0.000 2.461 183 N HA 0.119 4.859 4.740 0.001 0.000 0.188 183 N C -0.718 174.849 175.510 0.095 0.000 1.134 183 N CA -0.086 53.003 53.050 0.064 0.000 0.878 183 N CB 0.010 38.507 38.487 0.017 0.000 0.972 183 N HN 0.358 nan 8.380 nan 0.000 0.456 184 Y N 2.025 122.322 120.300 -0.006 0.000 2.397 184 Y HA 0.105 4.656 4.550 0.001 0.000 0.335 184 Y C -1.634 174.272 175.900 0.010 0.000 1.213 184 Y CA -2.350 55.761 58.100 0.019 0.000 1.391 184 Y CB -0.002 38.509 38.460 0.085 0.000 1.293 184 Y HN 0.050 nan 8.280 nan 0.000 0.557 185 P HA -0.004 nan 4.420 nan 0.000 0.266 185 P C 0.132 177.481 177.300 0.081 0.000 1.193 185 P CA 0.089 63.217 63.100 0.047 0.000 0.770 185 P CB 0.624 32.338 31.700 0.024 0.000 0.836 186 R N 1.464 121.986 120.500 0.036 0.000 2.369 186 R HA -0.067 4.273 4.340 0.001 0.000 0.200 186 R C 1.406 177.733 176.300 0.044 0.000 1.046 186 R CA 0.657 56.777 56.100 0.033 0.000 1.057 186 R CB 0.090 30.391 30.300 0.001 0.000 0.888 186 R HN 0.595 nan 8.270 nan 0.000 0.474 187 E N -0.950 119.283 120.200 0.054 0.000 2.431 187 E HA -0.023 4.327 4.350 0.001 0.000 0.200 187 E C 1.091 177.726 176.600 0.057 0.000 0.995 187 E CA 0.857 57.284 56.400 0.044 0.000 0.915 187 E CB 0.450 30.168 29.700 0.029 0.000 0.930 187 E HN 0.227 nan 8.360 nan 0.000 0.496 188 T N -1.928 112.698 114.554 0.120 0.000 2.954 188 T HA 0.201 4.552 4.350 0.001 0.000 0.252 188 T C 1.867 176.690 174.700 0.206 0.000 0.983 188 T CA 0.040 62.231 62.100 0.150 0.000 0.941 188 T CB 0.400 69.460 68.868 0.321 0.000 1.141 188 T HN -0.007 nan 8.240 nan 0.000 0.500 189 R N 1.467 122.105 120.500 0.230 0.000 2.154 189 R HA -0.013 4.328 4.340 0.001 0.000 0.236 189 R C 2.122 178.510 176.300 0.146 0.000 1.121 189 R CA 2.028 58.261 56.100 0.221 0.000 0.915 189 R CB -0.866 29.546 30.300 0.187 0.000 0.856 189 R HN 0.403 nan 8.270 nan 0.000 0.431 190 L N 0.293 121.606 121.223 0.151 0.000 2.362 190 L HA -0.130 4.210 4.340 0.001 0.000 0.219 190 L C 2.712 179.590 176.870 0.013 0.000 1.134 190 L CA 1.042 55.992 54.840 0.182 0.000 0.807 190 L CB -0.436 41.797 42.059 0.289 0.000 0.927 190 L HN 0.502 nan 8.230 nan 0.000 0.447 191 Q N -0.533 119.224 119.800 -0.072 0.000 2.046 191 Q HA -0.207 4.133 4.340 0.001 0.000 0.200 191 Q C 2.198 177.981 176.000 -0.361 0.000 0.975 191 Q CA 1.672 57.331 55.803 -0.239 0.000 0.836 191 Q CB -0.054 28.535 28.738 -0.248 0.000 0.896 191 Q HN 0.379 nan 8.270 nan 0.000 0.428 192 Y N -0.526 119.556 120.300 -0.364 0.000 2.181 192 Y HA -0.224 4.326 4.550 0.001 0.000 0.288 192 Y C 2.255 177.741 175.900 -0.691 0.000 1.146 192 Y CA 1.129 58.819 58.100 -0.685 0.000 1.164 192 Y CB -0.398 37.382 38.460 -1.134 0.000 0.982 192 Y HN -0.027 nan 8.280 nan 0.000 0.515 193 V N 0.419 120.170 119.914 -0.271 0.000 2.287 193 V HA -0.346 3.774 4.120 0.001 0.000 0.248 193 V C 2.408 178.469 176.094 -0.055 0.000 1.053 193 V CA 2.299 64.566 62.300 -0.055 0.000 1.027 193 V CB -0.588 31.299 31.823 0.106 0.000 0.646 193 V HN 0.349 nan 8.190 nan 0.000 0.447 194 K N 0.008 120.201 120.400 -0.345 0.000 2.057 194 K HA -0.164 4.156 4.320 0.001 0.000 0.206 194 K C 2.378 178.830 176.600 -0.247 0.000 1.050 194 K CA 1.391 57.320 56.287 -0.596 0.000 0.935 194 K CB -0.108 31.530 32.500 -1.436 0.000 0.715 194 K HN 0.364 nan 8.250 nan 0.000 0.439 195 R N -0.624 119.727 120.500 -0.247 0.000 2.115 195 R HA -0.097 4.243 4.340 0.001 0.000 0.226 195 R C 2.268 178.522 176.300 -0.077 0.000 1.100 195 R CA 1.217 57.211 56.100 -0.178 0.000 0.980 195 R CB -0.301 29.870 30.300 -0.214 0.000 0.875 195 R HN 0.234 nan 8.270 nan 0.000 0.445 196 F N 0.567 120.426 119.950 -0.151 0.000 2.128 196 F HA -0.213 4.314 4.527 0.001 0.000 0.295 196 F C 2.284 178.065 175.800 -0.032 0.000 1.100 196 F CA 1.100 59.074 58.000 -0.045 0.000 1.260 196 F CB -0.475 38.571 39.000 0.076 0.000 1.009 196 F HN -0.057 nan 8.300 nan 0.000 0.476 197 Y N 1.439 121.766 120.300 0.046 0.000 2.102 197 Y HA -0.323 4.227 4.550 0.000 0.000 0.280 197 Y C 2.141 177.905 175.900 -0.227 0.000 1.178 197 Y CA 2.312 60.384 58.100 -0.046 0.000 1.146 197 Y CB -0.929 37.554 38.460 0.039 0.000 0.968 197 Y HN 0.090 nan 8.280 nan 0.000 0.504 198 D N 0.117 120.295 120.400 -0.371 0.000 2.117 198 D HA -0.164 4.476 4.640 0.001 0.000 0.197 198 D C 2.318 178.309 176.300 -0.516 0.000 0.987 198 D CA 1.556 55.273 54.000 -0.471 0.000 0.829 198 D CB -0.615 40.040 40.800 -0.242 0.000 0.961 198 D HN 0.515 nan 8.370 nan 0.000 0.460 199 A N 0.566 123.116 122.820 -0.450 0.000 1.898 199 A HA -0.129 4.192 4.320 0.001 0.000 0.216 199 A C 2.452 179.727 177.584 -0.516 0.000 1.181 199 A CA 2.075 53.864 52.037 -0.413 0.000 0.620 199 A CB -0.687 18.108 19.000 -0.343 0.000 0.819 199 A HN 0.233 nan 8.150 nan 0.000 0.442 200 V N -1.607 117.876 119.914 -0.719 0.000 2.488 200 V HA -0.093 4.027 4.120 0.001 0.000 0.246 200 V C 2.315 177.772 176.094 -1.061 0.000 1.046 200 V CA 2.050 63.902 62.300 -0.747 0.000 1.053 200 V CB -1.186 30.211 31.823 -0.711 0.000 0.679 200 V HN 0.634 nan 8.190 nan 0.000 0.458 201 S N 1.507 116.437 115.700 -1.284 0.000 2.522 201 S HA -0.081 4.389 4.470 0.001 0.000 0.227 201 S C 1.645 175.517 174.600 -1.214 0.000 0.986 201 S CA 1.044 58.438 58.200 -1.343 0.000 0.929 201 S CB -0.803 61.710 63.200 -1.144 0.000 0.769 201 S HN 0.897 nan 8.310 nan 0.000 0.529 202 T N -2.509 111.455 114.554 -0.982 0.000 3.129 202 T HA 0.395 4.745 4.350 0.001 0.000 0.267 202 T C 0.126 174.479 174.700 -0.578 0.000 1.018 202 T CA -0.599 61.003 62.100 -0.831 0.000 0.903 202 T CB -0.905 67.687 68.868 -0.459 0.000 1.067 202 T HN 0.248 nan 8.240 nan 0.000 0.549 203 F N 0.166 119.979 119.950 -0.227 0.000 2.965 203 F HA -0.167 4.361 4.527 0.001 0.000 0.287 203 F C 1.077 176.841 175.800 -0.059 0.000 0.790 203 F CA 0.134 58.072 58.000 -0.103 0.000 1.279 203 F CB -2.534 36.451 39.000 -0.024 0.000 1.409 203 F HN 0.292 nan 8.300 nan 0.000 0.446 204 K N -0.030 120.370 120.400 -0.000 0.000 2.242 204 K HA 0.336 4.656 4.320 0.001 0.000 0.200 204 K C 0.666 177.309 176.600 0.071 0.000 1.050 204 K CA 0.910 57.215 56.287 0.030 0.000 0.981 204 K CB 0.569 33.042 32.500 -0.045 0.000 0.795 204 K HN 0.304 nan 8.250 nan 0.000 0.477 205 I N 0.470 121.026 120.570 -0.024 0.000 2.418 205 I HA 0.140 4.311 4.170 0.001 0.000 0.287 205 I C -0.697 175.411 176.117 -0.016 0.000 1.008 205 I CA -0.618 60.660 61.300 -0.036 0.000 1.104 205 I CB 2.087 40.012 38.000 -0.125 0.000 1.264 205 I HN -0.134 nan 8.210 nan 0.000 0.438 206 S N 6.831 122.547 115.700 0.028 0.000 2.442 206 S HA 0.654 5.124 4.470 0.001 0.000 0.297 206 S C -0.470 174.172 174.600 0.071 0.000 1.131 206 S CA -0.515 57.740 58.200 0.092 0.000 1.092 206 S CB 0.527 63.793 63.200 0.109 0.000 0.998 206 S HN 0.346 nan 8.310 nan 0.000 0.478 207 L N 6.452 127.747 121.223 0.119 0.000 2.325 207 L HA 0.553 4.894 4.340 0.001 0.000 0.278 207 L C -1.892 175.029 176.870 0.085 0.000 1.023 207 L CA -2.259 52.637 54.840 0.093 0.000 0.811 207 L CB 1.465 43.595 42.059 0.118 0.000 1.249 207 L HN 0.464 nan 8.230 nan 0.000 0.431 208 P HA 0.059 nan 4.420 nan 0.000 0.272 208 P C 0.444 177.755 177.300 0.018 0.000 1.230 208 P CA -0.281 62.857 63.100 0.064 0.000 0.788 208 P CB 0.772 32.505 31.700 0.056 0.000 0.949 209 T N 2.345 116.937 114.554 0.063 0.000 2.620 209 T HA -0.124 4.226 4.350 0.001 0.000 0.267 209 T C -0.857 173.818 174.700 -0.041 0.000 1.044 209 T CA 2.659 64.764 62.100 0.009 0.000 1.161 209 T CB -1.786 67.205 68.868 0.205 0.000 0.862 209 T HN 0.528 nan 8.240 nan 0.000 0.438 210 P HA 0.027 nan 4.420 nan 0.000 0.216 210 P C 1.419 178.864 177.300 0.242 0.000 1.150 210 P CA 0.911 64.111 63.100 0.167 0.000 0.837 210 P CB -0.149 31.680 31.700 0.214 0.000 0.786 211 I N -1.823 118.805 120.570 0.096 0.000 2.163 211 I HA -0.210 3.960 4.170 0.001 0.000 0.240 211 I C 2.384 178.474 176.117 -0.044 0.000 1.081 211 I CA 1.313 62.595 61.300 -0.030 0.000 1.353 211 I CB -0.647 37.301 38.000 -0.087 0.000 1.054 211 I HN -0.106 nan 8.210 nan 0.000 0.407 212 M N 0.591 120.097 119.600 -0.157 0.000 2.192 212 M HA -0.210 4.270 4.480 0.001 0.000 0.259 212 M C 2.406 178.528 176.300 -0.297 0.000 1.071 212 M CA 2.226 57.323 55.300 -0.338 0.000 1.082 212 M CB -1.079 30.964 32.600 -0.928 0.000 1.373 212 M HN 0.450 nan 8.290 nan 0.000 0.408 213 S N -2.219 113.369 115.700 -0.186 0.000 2.497 213 S HA 0.178 4.648 4.470 0.001 0.000 0.218 213 S C 1.764 176.436 174.600 0.120 0.000 1.023 213 S CA 0.414 58.602 58.200 -0.020 0.000 0.913 213 S CB 0.097 63.314 63.200 0.028 0.000 0.800 213 S HN 0.431 nan 8.310 nan 0.000 0.505 214 G N 1.020 109.949 108.800 0.215 0.000 2.720 214 G HA2 0.296 4.256 3.960 0.001 0.000 0.204 214 G HA3 0.296 4.256 3.960 0.001 0.000 0.204 214 G C 0.136 175.318 174.900 0.470 0.000 1.113 214 G CA 0.035 45.368 45.100 0.388 0.000 0.805 214 G HN 0.351 nan 8.290 nan 0.000 0.536 215 V N 2.899 122.993 119.914 0.300 0.000 2.409 215 V HA 0.308 4.429 4.120 0.001 0.000 0.270 215 V C 1.153 177.316 176.094 0.114 0.000 1.019 215 V CA 1.330 63.705 62.300 0.126 0.000 1.066 215 V CB -0.124 31.585 31.823 -0.190 0.000 1.021 215 V HN 0.770 nan 8.190 nan 0.000 0.476 216 R N 2.620 123.224 120.500 0.174 0.000 1.703 216 R HA -0.101 4.240 4.340 0.001 0.000 0.358 216 R C 0.253 176.605 176.300 0.086 0.000 0.191 216 R CA 0.664 56.772 56.100 0.013 0.000 1.436 216 R CB -1.367 28.817 30.300 -0.192 0.000 1.807 216 R HN 0.675 nan 8.270 nan 0.000 0.184 217 T N -1.561 113.125 114.554 0.221 0.000 2.923 217 T HA 0.609 4.959 4.350 0.001 0.000 0.281 217 T C -2.051 172.771 174.700 0.203 0.000 0.995 217 T CA -1.471 60.767 62.100 0.229 0.000 0.985 217 T CB 2.102 71.097 68.868 0.212 0.000 1.114 217 T HN -0.132 nan 8.240 nan 0.000 0.548 218 P HA 0.099 nan 4.420 nan 0.000 0.230 218 P C 0.700 178.022 177.300 0.037 0.000 1.158 218 P CA 0.496 63.652 63.100 0.093 0.000 0.769 218 P CB -0.153 31.580 31.700 0.056 0.000 0.807 219 T N 0.227 114.790 114.554 0.014 0.000 2.860 219 T HA 0.180 4.530 4.350 0.001 0.000 0.299 219 T C 0.925 175.505 174.700 -0.199 0.000 1.045 219 T CA -0.213 61.818 62.100 -0.115 0.000 1.071 219 T CB 0.226 68.988 68.868 -0.176 0.000 0.985 219 T HN -0.130 nan 8.240 nan 0.000 0.537 220 R N 2.294 122.581 120.500 -0.355 0.000 2.616 220 R HA 0.180 4.520 4.340 0.001 0.000 0.427 220 R C -0.390 175.521 176.300 -0.649 0.000 1.030 220 R CA -0.109 55.749 56.100 -0.402 0.000 1.133 220 R CB 0.506 30.668 30.300 -0.230 0.000 1.444 220 R HN 0.661 nan 8.270 nan 0.000 0.578 221 Q N 0.202 119.486 119.800 -0.860 0.000 2.360 221 Q HA 0.335 4.675 4.340 0.001 0.000 0.254 221 Q C -0.307 175.230 176.000 -0.772 0.000 0.975 221 Q CA -0.044 55.407 55.803 -0.587 0.000 0.912 221 Q CB 0.686 29.222 28.738 -0.336 0.000 1.212 221 Q HN 0.038 nan 8.270 nan 0.000 0.452 222 F N -1.139 118.795 119.950 -0.027 0.000 2.925 222 F HA 0.152 4.679 4.527 0.000 0.000 0.359 222 F C 0.494 176.292 175.800 -0.005 0.000 1.038 222 F CA -0.431 57.565 58.000 -0.006 0.000 1.130 222 F CB 0.922 39.923 39.000 0.002 0.000 1.093 222 F HN 0.210 nan 8.300 nan 0.000 0.561 223 S N 1.129 116.905 115.700 0.127 0.000 2.466 223 S HA 0.120 4.590 4.470 0.001 0.000 0.286 223 S C 1.249 175.896 174.600 0.078 0.000 1.221 223 S CA 0.358 58.612 58.200 0.090 0.000 1.091 223 S CB 0.499 63.762 63.200 0.104 0.000 0.956 223 S HN 0.373 nan 8.310 nan 0.000 0.501 224 S N 1.106 116.841 115.700 0.058 0.000 2.524 224 S HA 0.156 4.626 4.470 0.001 0.000 0.215 224 S C 0.511 175.119 174.600 0.013 0.000 0.986 224 S CA -0.256 57.974 58.200 0.049 0.000 0.911 224 S CB -0.268 62.970 63.200 0.064 0.000 0.805 224 S HN 0.868 nan 8.310 nan 0.000 0.501 225 C N 0.929 120.214 119.300 -0.025 0.000 2.705 225 C HA 0.836 5.296 4.460 0.001 0.000 0.369 225 C C -0.652 174.267 174.990 -0.119 0.000 1.069 225 C CA -0.493 58.493 59.018 -0.053 0.000 1.260 225 C CB 0.692 28.421 27.740 -0.019 0.000 1.764 225 C HN 0.636 nan 8.230 nan 0.000 0.469 226 V N 3.809 123.617 119.914 -0.177 0.000 2.864 226 V HA 0.942 5.062 4.120 0.001 0.000 0.314 226 V C -1.382 174.618 176.094 -0.156 0.000 1.073 226 V CA -0.719 61.425 62.300 -0.260 0.000 0.956 226 V CB 1.866 33.342 31.823 -0.579 0.000 1.023 226 V HN 0.878 nan 8.190 nan 0.000 0.435 227 L N 5.269 126.409 121.223 -0.139 0.000 2.404 227 L HA 0.648 4.988 4.340 0.001 0.000 0.272 227 L C -0.431 176.381 176.870 -0.097 0.000 0.980 227 L CA -0.111 54.668 54.840 -0.102 0.000 0.836 227 L CB 1.712 43.707 42.059 -0.107 0.000 1.238 227 L HN 0.638 nan 8.230 nan 0.000 0.408 228 I N 1.423 121.940 120.570 -0.087 0.000 2.406 228 I HA 0.469 4.639 4.170 0.001 0.000 0.290 228 I C -0.205 175.863 176.117 -0.082 0.000 0.999 228 I CA -0.651 60.602 61.300 -0.077 0.000 1.124 228 I CB 2.166 40.116 38.000 -0.083 0.000 1.289 228 I HN 0.615 nan 8.210 nan 0.000 0.441 229 E N 4.824 124.988 120.200 -0.061 0.000 2.175 229 E HA 0.309 4.660 4.350 0.001 0.000 0.278 229 E C -1.495 175.089 176.600 -0.026 0.000 0.969 229 E CA -0.528 55.846 56.400 -0.044 0.000 0.796 229 E CB 2.038 31.714 29.700 -0.041 0.000 1.104 229 E HN 0.726 nan 8.360 nan 0.000 0.395 230 C N 4.427 123.718 119.300 -0.016 0.000 2.319 230 C HA 0.745 5.206 4.460 0.001 0.000 0.335 230 C C 0.755 175.772 174.990 0.046 0.000 1.274 230 C CA -0.213 58.820 59.018 0.026 0.000 1.806 230 C CB -0.493 27.278 27.740 0.052 0.000 2.329 230 C HN 0.841 nan 8.230 nan 0.000 0.524 231 G N 3.105 111.933 108.800 0.046 0.000 2.547 231 G HA2 0.302 4.263 3.960 0.001 0.000 0.291 231 G HA3 0.302 4.263 3.960 0.001 0.000 0.291 231 G C -0.330 174.594 174.900 0.039 0.000 1.211 231 G CA -0.100 45.013 45.100 0.022 0.000 0.950 231 G HN 0.774 nan 8.290 nan 0.000 0.504 232 D N -0.439 119.947 120.400 -0.024 0.000 2.845 232 D HA 0.341 4.982 4.640 0.001 0.000 0.235 232 D C 0.250 176.467 176.300 -0.139 0.000 1.158 232 D CA -0.093 53.852 54.000 -0.092 0.000 0.990 232 D CB -0.500 40.171 40.800 -0.216 0.000 1.094 232 D HN 0.457 nan 8.370 nan 0.000 0.486 233 S N -0.680 115.142 115.700 0.204 0.000 2.547 233 S HA 0.262 4.732 4.470 0.001 0.000 0.270 233 S C 0.867 175.667 174.600 0.332 0.000 1.150 233 S CA -0.883 57.581 58.200 0.439 0.000 0.850 233 S CB 0.708 64.005 63.200 0.162 0.000 1.118 233 S HN 0.059 nan 8.310 nan 0.000 0.461 234 L N 0.809 122.179 121.223 0.244 0.000 2.083 234 L HA -0.073 4.267 4.340 0.001 0.000 0.209 234 L C 1.935 178.835 176.870 0.050 0.000 1.083 234 L CA 1.535 56.375 54.840 0.000 0.000 0.752 234 L CB -0.660 41.381 42.059 -0.030 0.000 0.899 234 L HN 0.707 nan 8.230 nan 0.000 0.433 235 D N -0.647 119.803 120.400 0.083 0.000 2.104 235 D HA -0.204 4.437 4.640 0.001 0.000 0.194 235 D C 2.398 178.747 176.300 0.081 0.000 0.994 235 D CA 1.634 55.679 54.000 0.075 0.000 0.830 235 D CB -0.100 40.742 40.800 0.070 0.000 0.959 235 D HN 0.090 nan 8.370 nan 0.000 0.452 236 S N -0.687 115.065 115.700 0.088 0.000 2.371 236 S HA -0.044 4.426 4.470 0.001 0.000 0.224 236 S C 2.097 176.770 174.600 0.122 0.000 1.029 236 S CA 0.398 58.652 58.200 0.090 0.000 0.978 236 S CB -0.237 63.011 63.200 0.080 0.000 0.833 236 S HN 0.163 nan 8.310 nan 0.000 0.466 237 I N 2.082 122.722 120.570 0.117 0.000 2.208 237 I HA -0.201 3.969 4.170 0.001 0.000 0.245 237 I C 2.216 178.478 176.117 0.242 0.000 1.097 237 I CA 1.050 62.456 61.300 0.178 0.000 1.363 237 I CB -0.375 37.570 38.000 -0.091 0.000 1.051 237 I HN 0.297 nan 8.210 nan 0.000 0.413 238 N N 0.863 119.659 118.700 0.159 0.000 2.142 238 N HA -0.094 4.647 4.740 0.001 0.000 0.186 238 N C 1.894 177.498 175.510 0.157 0.000 1.023 238 N CA 1.550 54.702 53.050 0.170 0.000 0.852 238 N CB -0.332 38.224 38.487 0.116 0.000 0.998 238 N HN 0.354 nan 8.380 nan 0.000 0.424 239 A N 0.378 123.274 122.820 0.126 0.000 1.898 239 A HA -0.091 4.229 4.320 0.001 0.000 0.216 239 A C 2.339 179.989 177.584 0.110 0.000 1.181 239 A CA 1.861 53.960 52.037 0.104 0.000 0.620 239 A CB -1.018 18.032 19.000 0.083 0.000 0.819 239 A HN 0.290 nan 8.150 nan 0.000 0.442 240 T N -0.413 114.216 114.554 0.125 0.000 2.684 240 T HA -0.164 4.187 4.350 0.001 0.000 0.267 240 T C 2.279 177.053 174.700 0.122 0.000 1.036 240 T CA 1.807 63.958 62.100 0.085 0.000 1.148 240 T CB -0.435 68.454 68.868 0.034 0.000 0.863 240 T HN 0.535 nan 8.240 nan 0.000 0.436 241 S N 0.771 116.617 115.700 0.243 0.000 2.359 241 S HA -0.149 4.322 4.470 0.001 0.000 0.224 241 S C 2.367 177.037 174.600 0.117 0.000 1.035 241 S CA 1.784 60.111 58.200 0.212 0.000 1.018 241 S CB -0.576 62.762 63.200 0.230 0.000 0.876 241 S HN 0.455 nan 8.310 nan 0.000 0.448 242 S N 1.472 117.241 115.700 0.115 0.000 2.359 242 S HA -0.030 4.440 4.470 0.001 0.000 0.224 242 S C 2.243 176.886 174.600 0.072 0.000 1.035 242 S CA 1.173 59.422 58.200 0.082 0.000 1.018 242 S CB -0.785 62.461 63.200 0.076 0.000 0.876 242 S HN 0.728 nan 8.310 nan 0.000 0.448 243 A N 1.230 124.106 122.820 0.092 0.000 1.933 243 A HA -0.037 4.284 4.320 0.001 0.000 0.218 243 A C 2.078 179.765 177.584 0.172 0.000 1.175 243 A CA 1.156 53.271 52.037 0.129 0.000 0.628 243 A CB -0.692 18.396 19.000 0.148 0.000 0.814 243 A HN 0.477 nan 8.150 nan 0.000 0.444 244 I N -0.606 120.035 120.570 0.118 0.000 2.179 244 I HA -0.225 3.945 4.170 0.001 0.000 0.242 244 I C 2.377 178.551 176.117 0.096 0.000 1.088 244 I CA 1.140 62.502 61.300 0.104 0.000 1.357 244 I CB -0.291 37.742 38.000 0.056 0.000 1.051 244 I HN 0.161 nan 8.210 nan 0.000 0.409 245 V N 0.706 120.659 119.914 0.064 0.000 2.287 245 V HA -0.293 3.827 4.120 0.001 0.000 0.248 245 V C 2.569 178.676 176.094 0.022 0.000 1.053 245 V CA 1.699 64.022 62.300 0.038 0.000 1.027 245 V CB -0.679 31.160 31.823 0.026 0.000 0.646 245 V HN 0.342 nan 8.190 nan 0.000 0.447 246 K N -0.826 119.573 120.400 -0.001 0.000 2.032 246 K HA -0.196 4.124 4.320 0.001 0.000 0.209 246 K C 2.091 178.613 176.600 -0.131 0.000 1.048 246 K CA 1.946 58.177 56.287 -0.093 0.000 0.927 246 K CB -0.550 31.850 32.500 -0.166 0.000 0.712 246 K HN 0.538 nan 8.250 nan 0.000 0.441 247 Y N 0.624 120.924 120.300 0.001 0.000 2.286 247 Y HA -0.150 4.400 4.550 0.000 0.000 0.293 247 Y C 2.253 178.151 175.900 -0.005 0.000 1.124 247 Y CA 0.896 58.994 58.100 -0.004 0.000 1.178 247 Y CB -0.471 37.990 38.460 0.002 0.000 1.010 247 Y HN -0.085 nan 8.280 nan 0.000 0.536 248 V N -1.940 118.061 119.914 0.145 0.000 2.626 248 V HA -0.181 3.939 4.120 0.001 0.000 0.252 248 V C 2.141 178.265 176.094 0.049 0.000 1.067 248 V CA 1.755 64.106 62.300 0.085 0.000 1.081 248 V CB -1.221 30.638 31.823 0.062 0.000 0.686 248 V HN 0.447 nan 8.190 nan 0.000 0.468 249 S N 0.377 116.092 115.700 0.025 0.000 2.419 249 S HA -0.216 4.254 4.470 0.001 0.000 0.233 249 S C 1.812 176.407 174.600 -0.008 0.000 1.016 249 S CA 1.556 59.755 58.200 -0.001 0.000 0.974 249 S CB -0.632 62.555 63.200 -0.023 0.000 0.786 249 S HN 0.770 nan 8.310 nan 0.000 0.492 250 Q N 0.011 119.811 119.800 0.000 0.000 2.246 250 Q HA 0.395 4.735 4.340 0.001 0.000 0.202 250 Q C 0.076 176.096 176.000 0.033 0.000 0.883 250 Q CA -0.262 55.539 55.803 -0.004 0.000 0.952 250 Q CB 0.169 28.893 28.738 -0.023 0.000 1.078 250 Q HN 0.501 nan 8.270 nan 0.000 0.493 251 R N -1.424 119.105 120.500 0.048 0.000 3.919 251 R HA -0.170 4.170 4.340 0.001 0.000 0.412 251 R C -0.377 175.964 176.300 0.067 0.000 1.102 251 R CA 0.388 56.519 56.100 0.052 0.000 1.082 251 R CB -1.895 28.430 30.300 0.040 0.000 1.671 251 R HN 0.302 nan 8.270 nan 0.000 0.540 252 A N 0.547 123.425 122.820 0.095 0.000 2.407 252 A HA 0.583 4.903 4.320 0.001 0.000 0.248 252 A C 0.882 178.495 177.584 0.049 0.000 1.082 252 A CA 0.488 52.572 52.037 0.078 0.000 0.785 252 A CB 0.496 19.559 19.000 0.105 0.000 1.020 252 A HN 0.315 nan 8.150 nan 0.000 0.489 253 G N 0.360 109.174 108.800 0.024 0.000 2.400 253 G HA2 0.541 4.501 3.960 0.001 0.000 0.301 253 G HA3 0.541 4.501 3.960 0.001 0.000 0.301 253 G C -0.387 174.508 174.900 -0.008 0.000 1.154 253 G CA -0.473 44.638 45.100 0.019 0.000 0.852 253 G HN 0.545 nan 8.290 nan 0.000 0.511 254 I N 0.835 121.404 120.570 -0.001 0.000 2.474 254 I HA 0.490 4.660 4.170 0.001 0.000 0.294 254 I C 0.528 176.653 176.117 0.012 0.000 1.005 254 I CA -0.813 60.475 61.300 -0.019 0.000 1.113 254 I CB 1.405 39.391 38.000 -0.023 0.000 1.289 254 I HN 0.545 nan 8.210 nan 0.000 0.436 255 G N 6.339 115.155 108.800 0.026 0.000 2.422 255 G HA2 0.718 4.679 3.960 0.001 0.000 0.317 255 G HA3 0.718 4.679 3.960 0.001 0.000 0.317 255 G C -0.740 174.202 174.900 0.070 0.000 1.210 255 G CA -0.335 44.849 45.100 0.140 0.000 0.930 255 G HN 0.464 nan 8.290 nan 0.000 0.468 256 I N 2.112 122.730 120.570 0.081 0.000 2.404 256 I HA 0.259 4.429 4.170 0.001 0.000 0.293 256 I C -0.475 175.701 176.117 0.099 0.000 0.992 256 I CA -1.050 60.219 61.300 -0.051 0.000 1.149 256 I CB 2.144 39.978 38.000 -0.277 0.000 1.315 256 I HN 0.311 nan 8.210 nan 0.000 0.446 257 N N 5.101 123.825 118.700 0.041 0.000 2.457 257 N HA 0.499 5.239 4.740 0.001 0.000 0.250 257 N C -0.234 175.334 175.510 0.095 0.000 0.982 257 N CA -0.309 52.821 53.050 0.133 0.000 0.941 257 N CB 1.769 40.299 38.487 0.072 0.000 1.120 257 N HN 0.750 nan 8.380 nan 0.000 0.505 258 A N 2.288 125.211 122.820 0.172 0.000 2.606 258 A HA 0.359 4.680 4.320 0.001 0.000 0.290 258 A C 1.453 179.233 177.584 0.325 0.000 1.174 258 A CA 0.037 52.215 52.037 0.234 0.000 0.958 258 A CB -0.189 18.960 19.000 0.250 0.000 1.194 258 A HN 0.640 nan 8.150 nan 0.000 0.526 259 G N 0.398 109.396 108.800 0.330 0.000 2.443 259 G HA2 -0.170 3.790 3.960 0.001 0.000 0.219 259 G HA3 -0.170 3.790 3.960 0.001 0.000 0.219 259 G C 1.526 176.550 174.900 0.206 0.000 1.131 259 G CA 0.687 46.005 45.100 0.363 0.000 0.775 259 G HN 0.532 nan 8.290 nan 0.000 0.547 260 R N -0.326 120.171 120.500 -0.005 0.000 2.193 260 R HA 0.207 4.548 4.340 0.001 0.000 0.213 260 R C 0.772 177.080 176.300 0.014 0.000 1.055 260 R CA -0.198 55.786 56.100 -0.193 0.000 0.995 260 R CB -0.132 29.994 30.300 -0.290 0.000 0.893 260 R HN 0.316 nan 8.270 nan 0.000 0.459 261 I N 3.572 124.236 120.570 0.156 0.000 2.821 261 I HA -0.124 4.046 4.170 0.001 0.000 0.294 261 I C 0.722 177.006 176.117 0.278 0.000 1.210 261 I CA 0.301 61.741 61.300 0.235 0.000 1.430 261 I CB 0.157 38.360 38.000 0.339 0.000 1.356 261 I HN 0.229 nan 8.210 nan 0.000 0.563 262 R N 6.040 126.655 120.500 0.191 0.000 2.641 262 R HA 0.627 4.967 4.340 0.001 0.000 0.269 262 R C -0.160 176.274 176.300 0.222 0.000 1.074 262 R CA -0.746 55.439 56.100 0.142 0.000 1.133 262 R CB 0.494 30.796 30.300 0.002 0.000 1.029 262 R HN 0.607 nan 8.270 nan 0.000 0.488 263 A N 2.664 125.557 122.820 0.122 0.000 2.332 263 A HA 0.234 4.554 4.320 0.001 0.000 0.258 263 A C -0.087 177.539 177.584 0.070 0.000 1.087 263 A CA -0.773 51.343 52.037 0.131 0.000 0.802 263 A CB 0.331 19.339 19.000 0.014 0.000 1.042 263 A HN 0.731 nan 8.150 nan 0.000 0.489 264 L N 1.557 122.805 121.223 0.042 0.000 2.640 264 L HA 0.334 4.674 4.340 0.001 0.000 0.280 264 L C 1.307 178.129 176.870 -0.081 0.000 1.229 264 L CA 2.353 57.182 54.840 -0.019 0.000 0.919 264 L CB -0.253 41.785 42.059 -0.036 0.000 1.168 264 L HN 1.664 nan 8.230 nan 0.000 0.496 265 G N 2.176 110.864 108.800 -0.187 0.000 2.213 265 G HA2 -0.252 3.708 3.960 0.001 0.000 0.236 265 G HA3 -0.252 3.708 3.960 0.001 0.000 0.236 265 G C 0.518 175.239 174.900 -0.298 0.000 0.991 265 G CA 0.138 45.066 45.100 -0.288 0.000 0.629 265 G HN 0.869 nan 8.290 nan 0.000 0.517 266 S N 2.766 118.364 115.700 -0.169 0.000 2.560 266 S HA 0.444 4.914 4.470 0.001 0.000 0.284 266 S C -1.071 173.507 174.600 -0.037 0.000 1.327 266 S CA -0.247 57.910 58.200 -0.072 0.000 1.055 266 S CB 0.918 64.119 63.200 0.001 0.000 0.868 266 S HN 0.367 nan 8.310 nan 0.000 0.506 275 H N 1.413 120.654 119.070 0.285 0.000 2.297 275 H HA -0.201 4.355 4.556 0.000 0.000 0.289 275 H C 1.654 177.028 175.328 0.076 0.000 1.105 275 H CA 2.983 59.114 56.048 0.137 0.000 1.219 275 H CB -0.214 29.606 29.762 0.096 0.000 1.351 275 H HN 0.450 nan 8.280 nan 0.000 0.481 276 T N -1.815 112.860 114.554 0.202 0.000 3.113 276 T HA 0.338 4.688 4.350 0.001 0.000 0.256 276 T C 1.063 175.755 174.700 -0.014 0.000 1.131 276 T CA 0.693 62.825 62.100 0.054 0.000 1.074 276 T CB 0.072 68.913 68.868 -0.046 0.000 0.944 276 T HN 0.771 nan 8.240 nan 0.000 0.516 277 G N -0.314 108.529 108.800 0.071 0.000 2.655 277 G HA2 -0.167 3.793 3.960 0.001 0.000 0.680 277 G HA3 -0.167 3.793 3.960 0.001 0.000 0.680 277 G C 0.618 175.563 174.900 0.075 0.000 1.302 277 G CA -0.635 44.505 45.100 0.065 0.000 0.872 277 G HN 0.290 nan 8.290 nan 0.000 0.540 278 C N -0.234 119.067 119.300 0.002 0.000 2.466 278 C HA 0.070 4.530 4.460 0.001 0.000 0.278 278 C C 3.025 177.825 174.990 -0.317 0.000 1.288 278 C CA 1.399 60.363 59.018 -0.091 0.000 1.722 278 C CB -1.549 25.917 27.740 -0.456 0.000 2.017 278 C HN 0.557 nan 8.230 nan 0.000 0.488 279 I N 1.677 122.002 120.570 -0.407 0.000 2.163 279 I HA -0.169 4.001 4.170 0.001 0.000 0.243 279 I C -0.546 175.469 176.117 -0.169 0.000 1.085 279 I CA 1.761 62.858 61.300 -0.339 0.000 1.347 279 I CB -1.723 36.123 38.000 -0.258 0.000 1.044 279 I HN 0.219 nan 8.210 nan 0.000 0.408 280 P HA -0.159 nan 4.420 nan 0.000 0.218 280 P C 1.474 178.584 177.300 -0.317 0.000 1.148 280 P CA 1.550 64.455 63.100 -0.325 0.000 0.822 280 P CB -0.068 31.319 31.700 -0.521 0.000 0.784 281 F N -2.987 116.907 119.950 -0.094 0.000 2.293 281 F HA -0.069 4.458 4.527 0.001 0.000 0.297 281 F C 2.195 177.835 175.800 -0.267 0.000 1.089 281 F CA 0.840 58.715 58.000 -0.207 0.000 1.377 281 F CB -1.364 37.528 39.000 -0.180 0.000 1.051 281 F HN -0.108 nan 8.300 nan 0.000 0.511 282 Y N 0.997 121.288 120.300 -0.015 0.000 2.145 282 Y HA -0.203 4.348 4.550 0.000 0.000 0.286 282 Y C 2.263 178.236 175.900 0.122 0.000 1.145 282 Y CA 0.840 59.027 58.100 0.145 0.000 1.148 282 Y CB -1.215 37.374 38.460 0.214 0.000 0.981 282 Y HN 0.023 nan 8.280 nan 0.000 0.507 283 K N -1.037 119.501 120.400 0.229 0.000 2.074 283 K HA -0.272 4.048 4.320 0.001 0.000 0.209 283 K C 1.981 178.674 176.600 0.154 0.000 1.048 283 K CA 1.947 58.329 56.287 0.158 0.000 0.926 283 K CB -0.412 32.136 32.500 0.081 0.000 0.713 283 K HN 0.303 nan 8.250 nan 0.000 0.444 284 H N -0.369 118.692 119.070 -0.015 0.000 2.423 284 H HA -0.060 4.496 4.556 0.000 0.000 0.297 284 H C 1.457 176.830 175.328 0.074 0.000 1.075 284 H CA 1.372 57.407 56.048 -0.021 0.000 1.342 284 H CB 0.035 29.752 29.762 -0.074 0.000 1.395 284 H HN 0.072 nan 8.280 nan 0.000 0.530 285 F N 0.562 120.589 119.950 0.128 0.000 2.146 285 F HA -0.117 4.410 4.527 0.000 0.000 0.298 285 F C 2.795 178.600 175.800 0.007 0.000 1.096 285 F CA 1.415 59.433 58.000 0.030 0.000 1.275 285 F CB -1.082 37.947 39.000 0.049 0.000 1.008 285 F HN 0.302 nan 8.300 nan 0.000 0.480 286 Q N 0.443 120.385 119.800 0.236 0.000 2.096 286 Q HA -0.207 4.133 4.340 0.001 0.000 0.204 286 Q C 2.084 178.147 176.000 0.104 0.000 0.982 286 Q CA 2.744 58.644 55.803 0.162 0.000 0.850 286 Q CB -0.227 28.622 28.738 0.184 0.000 0.901 286 Q HN 0.518 nan 8.270 nan 0.000 0.422 287 T N -1.657 112.943 114.554 0.076 0.000 2.821 287 T HA 0.002 4.353 4.350 0.001 0.000 0.267 287 T C 1.893 176.595 174.700 0.002 0.000 1.046 287 T CA 1.001 63.124 62.100 0.038 0.000 1.139 287 T CB -0.485 68.409 68.868 0.044 0.000 0.871 287 T HN 0.375 nan 8.240 nan 0.000 0.454 288 A N 1.311 124.112 122.820 -0.033 0.000 1.902 288 A HA 0.049 4.369 4.320 0.001 0.000 0.217 288 A C 2.633 180.233 177.584 0.027 0.000 1.181 288 A CA 1.538 53.564 52.037 -0.019 0.000 0.623 288 A CB -1.165 17.826 19.000 -0.015 0.000 0.818 288 A HN 0.392 nan 8.150 nan 0.000 0.443 289 V N -0.441 119.502 119.914 0.048 0.000 2.407 289 V HA -0.193 3.928 4.120 0.001 0.000 0.248 289 V C 2.191 178.306 176.094 0.036 0.000 1.055 289 V CA 2.382 64.710 62.300 0.046 0.000 1.049 289 V CB -0.483 31.371 31.823 0.052 0.000 0.662 289 V HN 0.465 nan 8.190 nan 0.000 0.455 290 K N 0.227 120.645 120.400 0.031 0.000 2.387 290 K HA 0.093 4.414 4.320 0.001 0.000 0.198 290 K C 1.921 178.527 176.600 0.010 0.000 1.022 290 K CA 0.601 56.897 56.287 0.014 0.000 1.128 290 K CB -0.022 32.479 32.500 0.002 0.000 0.853 290 K HN 0.579 nan 8.250 nan 0.000 0.523 291 S N -1.087 114.622 115.700 0.015 0.000 2.493 291 S HA -0.143 4.327 4.470 0.001 0.000 0.243 291 S C 0.993 175.599 174.600 0.010 0.000 0.991 291 S CA 0.567 58.775 58.200 0.012 0.000 0.957 291 S CB -0.430 62.777 63.200 0.012 0.000 0.756 291 S HN 0.241 nan 8.310 nan 0.000 0.521 292 C N 2.750 122.056 119.300 0.011 0.000 3.114 292 C HA 0.707 5.167 4.460 0.001 0.000 0.215 292 C C 0.204 175.199 174.990 0.007 0.000 1.759 292 C CA -0.683 58.340 59.018 0.009 0.000 1.455 292 C CB -1.264 26.482 27.740 0.011 0.000 2.528 292 C HN 0.634 nan 8.230 nan 0.000 0.511 293 S N -0.391 115.311 115.700 0.002 0.000 2.566 293 S HA 0.493 4.963 4.470 0.001 0.000 0.273 293 S C 0.252 174.848 174.600 -0.007 0.000 1.157 293 S CA -0.141 58.059 58.200 -0.001 0.000 0.938 293 S CB 1.498 64.697 63.200 -0.003 0.000 1.087 293 S HN 0.570 nan 8.310 nan 0.000 0.474 294 Q N 3.212 123.009 119.800 -0.004 0.000 2.669 294 Q HA -0.263 4.077 4.340 0.001 0.000 0.241 294 Q C 0.859 176.853 176.000 -0.011 0.000 1.160 294 Q CA 2.975 58.774 55.803 -0.006 0.000 1.028 294 Q CB -1.521 27.213 28.738 -0.006 0.000 0.923 294 Q HN 1.894 nan 8.270 nan 0.000 0.585 295 G N -2.140 106.647 108.800 -0.021 0.000 5.233 295 G HA2 0.488 4.449 3.960 0.001 0.000 0.203 295 G HA3 0.488 4.449 3.960 0.001 0.000 0.203 295 G C 0.566 175.437 174.900 -0.049 0.000 0.734 295 G CA 0.254 45.339 45.100 -0.025 0.000 0.662 295 G HN 1.333 nan 8.290 nan 0.000 0.468 296 G N -0.776 107.993 108.800 -0.052 0.000 2.187 296 G HA2 -0.238 3.723 3.960 0.001 0.000 0.261 296 G HA3 -0.238 3.723 3.960 0.001 0.000 0.261 296 G C 1.087 175.878 174.900 -0.182 0.000 1.000 296 G CA 1.521 46.570 45.100 -0.084 0.000 0.718 296 G HN 1.585 nan 8.290 nan 0.000 0.519 297 V N -3.480 116.343 119.914 -0.152 0.000 3.054 297 V HA 0.507 4.628 4.120 0.001 0.000 0.227 297 V C 1.127 177.170 176.094 -0.084 0.000 1.252 297 V CA 1.015 63.199 62.300 -0.193 0.000 1.279 297 V CB 0.038 31.768 31.823 -0.155 0.000 1.118 297 V HN 0.544 nan 8.190 nan 0.000 0.504 298 R N 2.175 122.650 120.500 -0.042 0.000 2.265 298 R HA 0.611 4.952 4.340 0.001 0.000 0.328 298 R C -0.186 176.114 176.300 0.001 0.000 0.969 298 R CA 0.726 56.821 56.100 -0.008 0.000 0.832 298 R CB 0.554 30.855 30.300 0.002 0.000 1.139 298 R HN 1.315 nan 8.270 nan 0.000 0.457 299 G N 1.529 110.337 108.800 0.014 0.000 3.069 299 G HA2 0.342 4.302 3.960 0.001 0.000 0.686 299 G HA3 0.342 4.302 3.960 0.001 0.000 0.686 299 G C -0.047 174.866 174.900 0.021 0.000 1.161 299 G CA -0.106 45.006 45.100 0.021 0.000 0.804 299 G HN 1.386 nan 8.290 nan 0.000 0.608 300 G N -0.438 108.381 108.800 0.032 0.000 3.445 300 G HA2 0.553 4.513 3.960 0.001 0.000 0.680 300 G HA3 0.553 4.513 3.960 0.001 0.000 0.680 300 G C 0.207 175.130 174.900 0.038 0.000 0.972 300 G CA 0.814 45.935 45.100 0.035 0.000 0.798 300 G HN 2.775 nan 8.290 nan 0.000 0.461 301 A N 1.474 124.319 122.820 0.042 0.000 2.475 301 A HA 1.205 5.525 4.320 0.001 0.000 0.301 301 A C 0.152 177.753 177.584 0.027 0.000 1.059 301 A CA 0.152 52.215 52.037 0.044 0.000 0.710 301 A CB 1.856 20.893 19.000 0.063 0.000 1.288 301 A HN 2.725 nan 8.150 nan 0.000 0.408 302 A N 0.463 123.286 122.820 0.006 0.000 2.572 302 A HA 0.870 5.190 4.320 0.001 0.000 0.295 302 A C -0.590 176.943 177.584 -0.085 0.000 1.072 302 A CA -0.457 51.563 52.037 -0.027 0.000 0.691 302 A CB 1.450 20.425 19.000 -0.040 0.000 1.291 302 A HN 0.941 nan 8.150 nan 0.000 0.404 303 T N 1.645 116.142 114.554 -0.095 0.000 2.812 303 T HA 0.544 4.895 4.350 0.001 0.000 0.282 303 T C -0.750 173.750 174.700 -0.334 0.000 0.990 303 T CA -0.142 61.812 62.100 -0.244 0.000 0.960 303 T CB 0.850 69.615 68.868 -0.172 0.000 0.948 303 T HN 0.579 nan 8.240 nan 0.000 0.438 304 L N 3.892 124.832 121.223 -0.472 0.000 2.309 304 L HA 0.719 5.060 4.340 0.001 0.000 0.282 304 L C -1.418 175.283 176.870 -0.281 0.000 1.036 304 L CA -0.699 53.985 54.840 -0.260 0.000 0.806 304 L CB 0.626 42.564 42.059 -0.202 0.000 1.220 304 L HN 0.535 nan 8.230 nan 0.000 0.429 305 F N 4.017 124.018 119.950 0.086 0.000 2.480 305 F HA 0.579 5.107 4.527 0.001 0.000 0.329 305 F C -0.566 175.362 175.800 0.213 0.000 1.091 305 F CA -0.425 57.624 58.000 0.081 0.000 0.972 305 F CB 1.567 40.610 39.000 0.071 0.000 1.150 305 F HN 0.348 nan 8.300 nan 0.000 0.467 306 Y N 0.587 121.083 120.300 0.327 0.000 2.581 306 Y HA 0.707 5.257 4.550 0.000 0.000 0.337 306 Y C -3.361 172.623 175.900 0.140 0.000 1.108 306 Y CA -3.649 54.585 58.100 0.223 0.000 1.033 306 Y CB 0.888 39.418 38.460 0.116 0.000 1.318 306 Y HN 0.231 nan 8.280 nan 0.000 0.459 307 P HA 0.105 nan 4.420 nan 0.000 0.279 307 P C 0.540 177.700 177.300 -0.232 0.000 1.239 307 P CA -0.321 62.644 63.100 -0.224 0.000 0.789 307 P CB 1.531 32.637 31.700 -0.990 0.000 0.933 308 M N 2.970 122.457 119.600 -0.189 0.000 2.267 308 M HA -0.079 4.401 4.480 0.001 0.000 0.263 308 M C 0.957 177.256 176.300 -0.002 0.000 1.063 308 M CA 1.757 57.020 55.300 -0.061 0.000 1.090 308 M CB -0.233 32.310 32.600 -0.095 0.000 1.392 308 M HN 0.487 nan 8.290 nan 0.000 0.422 309 W N -0.499 120.825 121.300 0.040 0.000 3.405 309 W HA 0.150 4.810 4.660 0.000 0.000 0.300 309 W C 0.190 176.820 176.519 0.186 0.000 1.286 309 W CA -0.478 56.942 57.345 0.125 0.000 1.762 309 W CB -1.502 28.081 29.460 0.204 0.000 1.087 309 W HN 0.083 nan 8.180 nan 0.000 0.703 310 H N 2.230 121.242 119.070 -0.096 0.000 2.815 310 H HA -0.050 4.506 4.556 0.001 0.000 0.350 310 H C 1.015 176.378 175.328 0.059 0.000 1.080 310 H CA 0.475 56.501 56.048 -0.036 0.000 1.433 310 H CB 1.872 31.558 29.762 -0.126 0.000 1.432 310 H HN 0.079 nan 8.280 nan 0.000 0.592 311 L N 4.236 125.412 121.223 -0.078 0.000 2.187 311 L HA -0.141 4.199 4.340 0.001 0.000 0.213 311 L C 1.571 178.490 176.870 0.081 0.000 1.100 311 L CA 1.773 56.611 54.840 -0.002 0.000 0.765 311 L CB -0.198 41.813 42.059 -0.080 0.000 0.904 311 L HN 0.705 nan 8.230 nan 0.000 0.437 312 E N -1.632 118.733 120.200 0.275 0.000 2.463 312 E HA -0.028 4.322 4.350 0.001 0.000 0.193 312 E C 2.003 178.564 176.600 -0.066 0.000 1.041 312 E CA 0.225 56.670 56.400 0.075 0.000 0.879 312 E CB 0.239 29.948 29.700 0.015 0.000 0.997 312 E HN 0.362 nan 8.360 nan 0.000 0.478 313 V N 1.502 121.408 119.914 -0.014 0.000 2.324 313 V HA -0.355 3.765 4.120 0.001 0.000 0.250 313 V C 1.865 177.895 176.094 -0.106 0.000 1.060 313 V CA 2.177 64.419 62.300 -0.097 0.000 1.042 313 V CB -0.076 31.770 31.823 0.039 0.000 0.650 313 V HN 0.287 nan 8.190 nan 0.000 0.450 314 E N -0.168 119.993 120.200 -0.065 0.000 2.085 314 E HA -0.182 4.168 4.350 0.001 0.000 0.194 314 E C 2.326 178.867 176.600 -0.098 0.000 0.994 314 E CA 1.702 58.063 56.400 -0.064 0.000 0.801 314 E CB -0.215 29.459 29.700 -0.044 0.000 0.743 314 E HN 0.698 nan 8.360 nan 0.000 0.453 315 S N 0.837 116.460 115.700 -0.127 0.000 2.387 315 S HA -0.053 4.417 4.470 0.001 0.000 0.226 315 S C 2.040 176.502 174.600 -0.231 0.000 1.026 315 S CA 0.622 58.727 58.200 -0.158 0.000 0.972 315 S CB -0.110 62.995 63.200 -0.157 0.000 0.814 315 S HN 0.179 nan 8.310 nan 0.000 0.477 316 L N 0.825 121.851 121.223 -0.329 0.000 2.093 316 L HA -0.042 4.298 4.340 0.001 0.000 0.208 316 L C 2.085 178.743 176.870 -0.353 0.000 1.085 316 L CA 0.515 55.060 54.840 -0.491 0.000 0.755 316 L CB -0.576 40.919 42.059 -0.940 0.000 0.904 316 L HN 0.257 nan 8.230 nan 0.000 0.435 317 L N -0.000 121.117 121.223 -0.176 0.000 2.191 317 L HA -0.123 4.217 4.340 0.001 0.000 0.212 317 L C 2.191 179.004 176.870 -0.095 0.000 1.103 317 L CA 1.626 56.432 54.840 -0.056 0.000 0.769 317 L CB -0.642 41.407 42.059 -0.017 0.000 0.908 317 L HN 0.267 nan 8.230 nan 0.000 0.438 318 V N -5.668 114.171 119.914 -0.124 0.000 3.578 318 V HA 0.110 4.231 4.120 0.001 0.000 0.290 318 V C 2.011 178.040 176.094 -0.109 0.000 1.376 318 V CA 0.032 62.276 62.300 -0.094 0.000 1.083 318 V CB -0.366 31.413 31.823 -0.073 0.000 0.911 318 V HN 0.195 nan 8.190 nan 0.000 0.433 319 L N 1.520 122.632 121.223 -0.184 0.000 2.197 319 L HA -0.190 4.150 4.340 0.001 0.000 0.215 319 L C 2.607 179.452 176.870 -0.041 0.000 1.095 319 L CA 2.558 57.303 54.840 -0.160 0.000 0.764 319 L CB -0.283 41.578 42.059 -0.330 0.000 0.897 319 L HN 0.630 nan 8.230 nan 0.000 0.436 320 K N -1.295 119.099 120.400 -0.010 0.000 2.373 320 K HA 0.041 4.362 4.320 0.001 0.000 0.200 320 K C 0.630 177.223 176.600 -0.010 0.000 1.054 320 K CA -0.271 56.034 56.287 0.030 0.000 1.065 320 K CB -0.145 32.426 32.500 0.118 0.000 0.886 320 K HN 0.037 nan 8.250 nan 0.000 0.546 321 N N 3.470 122.157 118.700 -0.021 0.000 2.417 321 N HA -0.106 4.634 4.740 0.001 0.000 0.272 321 N C -0.960 174.533 175.510 -0.028 0.000 1.304 321 N CA -0.209 52.827 53.050 -0.023 0.000 0.906 321 N CB 0.149 38.619 38.487 -0.027 0.000 1.135 321 N HN 0.255 nan 8.380 nan 0.000 0.483 322 N N 3.370 122.054 118.700 -0.025 0.000 2.508 322 N HA 0.277 5.017 4.740 0.001 0.000 0.253 322 N C -0.915 174.584 175.510 -0.019 0.000 1.145 322 N CA -0.278 52.757 53.050 -0.026 0.000 0.973 322 N CB 0.362 38.834 38.487 -0.025 0.000 1.305 322 N HN 0.609 nan 8.380 nan 0.000 0.506 323 R N 1.043 121.531 120.500 -0.021 0.000 6.649 323 R HA 0.456 4.796 4.340 0.001 0.000 0.266 323 R C -1.253 175.033 176.300 -0.023 0.000 0.851 323 R CA 0.024 56.112 56.100 -0.019 0.000 1.706 323 R CB -0.076 30.213 30.300 -0.017 0.000 1.206 323 R HN 0.953 nan 8.270 nan 0.000 0.797 324 G N 0.763 109.549 108.800 -0.022 0.000 2.339 324 G HA2 0.119 4.079 3.960 0.001 0.000 0.381 324 G HA3 0.119 4.079 3.960 0.001 0.000 0.381 324 G C -1.604 173.281 174.900 -0.025 0.000 1.400 324 G CA -0.519 44.565 45.100 -0.027 0.000 1.002 324 G HN 0.389 nan 8.290 nan 0.000 0.633 325 V N 0.253 120.150 119.914 -0.028 0.000 2.811 325 V HA 0.342 4.462 4.120 0.001 0.000 0.302 325 V C 1.872 177.950 176.094 -0.027 0.000 1.063 325 V CA 1.106 63.391 62.300 -0.026 0.000 1.088 325 V CB 1.534 33.341 31.823 -0.027 0.000 0.982 325 V HN 1.001 nan 8.190 nan 0.000 0.485 326 E N 3.404 123.591 120.200 -0.021 0.000 2.209 326 E HA -0.109 4.241 4.350 0.001 0.000 0.196 326 E C 1.867 178.454 176.600 -0.023 0.000 0.993 326 E CA 1.567 57.957 56.400 -0.016 0.000 0.819 326 E CB -0.406 29.290 29.700 -0.008 0.000 0.745 326 E HN 0.899 nan 8.360 nan 0.000 0.477 327 G N -0.699 108.081 108.800 -0.034 0.000 2.848 327 G HA2 -0.161 3.799 3.960 0.001 0.000 0.208 327 G HA3 -0.161 3.799 3.960 0.001 0.000 0.208 327 G C 0.577 175.440 174.900 -0.061 0.000 1.152 327 G CA 0.519 45.590 45.100 -0.048 0.000 0.789 327 G HN 0.365 nan 8.290 nan 0.000 0.531 328 N N -0.677 117.990 118.700 -0.056 0.000 2.187 328 N HA 0.211 4.951 4.740 0.001 0.000 0.212 328 N C 0.019 175.491 175.510 -0.064 0.000 1.152 328 N CA -0.360 52.647 53.050 -0.071 0.000 0.872 328 N CB 0.761 39.205 38.487 -0.071 0.000 1.025 328 N HN -0.114 nan 8.380 nan 0.000 0.514 329 R N 1.025 121.502 120.500 -0.038 0.000 2.480 329 R HA 0.438 4.778 4.340 0.001 0.000 0.306 329 R C -1.240 175.071 176.300 0.017 0.000 0.958 329 R CA -0.719 55.368 56.100 -0.022 0.000 0.861 329 R CB 1.929 32.213 30.300 -0.028 0.000 1.171 329 R HN -0.132 nan 8.270 nan 0.000 0.445 330 V N 4.998 124.947 119.914 0.059 0.000 2.383 330 V HA 0.327 4.447 4.120 0.001 0.000 0.264 330 V C 1.026 177.205 176.094 0.142 0.000 1.001 330 V CA -0.489 61.895 62.300 0.140 0.000 0.828 330 V CB 1.071 33.058 31.823 0.274 0.000 1.069 330 V HN 0.653 nan 8.190 nan 0.000 0.451 331 R N 0.297 120.775 120.500 -0.037 0.000 2.246 331 R HA 0.153 4.493 4.340 0.001 0.000 0.199 331 R C 0.658 176.844 176.300 -0.190 0.000 0.984 331 R CA 0.450 56.462 56.100 -0.147 0.000 1.015 331 R CB 0.208 30.324 30.300 -0.306 0.000 0.930 331 R HN 0.661 nan 8.270 nan 0.000 0.475 332 H N 0.012 119.138 119.070 0.092 0.000 2.640 332 H HA 0.344 4.900 4.556 0.001 0.000 0.312 332 H C 0.041 175.382 175.328 0.021 0.000 1.110 332 H CA 0.276 56.357 56.048 0.055 0.000 1.098 332 H CB 0.005 29.797 29.762 0.050 0.000 1.485 332 H HN 0.058 nan 8.280 nan 0.000 0.526 333 M N 0.356 119.979 119.600 0.039 0.000 2.569 333 M HA 0.220 4.700 4.480 0.001 0.000 0.279 333 M C -1.001 175.079 176.300 -0.367 0.000 1.253 333 M CA -0.794 54.414 55.300 -0.153 0.000 0.867 333 M CB 2.985 35.444 32.600 -0.236 0.000 1.727 333 M HN -0.021 nan 8.290 nan 0.000 0.467 334 D N 0.337 120.479 120.400 -0.430 0.000 2.326 334 D HA 0.573 5.213 4.640 0.001 0.000 0.251 334 D C -1.533 174.267 176.300 -0.833 0.000 1.023 334 D CA 0.152 53.878 54.000 -0.456 0.000 0.966 334 D CB 1.262 41.998 40.800 -0.107 0.000 1.156 334 D HN 0.306 nan 8.370 nan 0.000 0.494 335 Y N -1.030 119.117 120.300 -0.255 0.000 2.477 335 Y HA 0.528 5.079 4.550 0.000 0.000 0.347 335 Y C 0.637 176.322 175.900 -0.358 0.000 0.981 335 Y CA -1.072 56.874 58.100 -0.257 0.000 1.033 335 Y CB 2.516 40.956 38.460 -0.034 0.000 1.245 335 Y HN 0.347 nan 8.280 nan 0.000 0.455 336 G N 1.762 110.319 108.800 -0.405 0.000 2.574 336 G HA2 0.540 4.501 3.960 0.001 0.000 0.306 336 G HA3 0.540 4.501 3.960 0.001 0.000 0.306 336 G C -1.497 173.238 174.900 -0.275 0.000 1.334 336 G CA -0.634 44.307 45.100 -0.265 0.000 0.954 336 G HN 0.444 nan 8.290 nan 0.000 0.500 337 V N 2.692 122.475 119.914 -0.219 0.000 2.498 337 V HA 0.257 4.377 4.120 0.001 0.000 0.279 337 V C 0.167 176.245 176.094 -0.027 0.000 1.048 337 V CA -0.419 61.700 62.300 -0.302 0.000 0.967 337 V CB 1.247 32.953 31.823 -0.194 0.000 0.988 337 V HN 0.739 nan 8.190 nan 0.000 0.473 338 Q N 4.940 124.752 119.800 0.021 0.000 2.340 338 Q HA 0.645 4.985 4.340 0.001 0.000 0.259 338 Q C -0.951 175.170 176.000 0.202 0.000 0.964 338 Q CA -0.118 55.778 55.803 0.155 0.000 0.900 338 Q CB 1.761 30.665 28.738 0.276 0.000 1.228 338 Q HN 0.652 nan 8.270 nan 0.000 0.449 339 I N 2.185 122.824 120.570 0.116 0.000 2.646 339 I HA 0.438 4.609 4.170 0.001 0.000 0.299 339 I C -0.261 175.849 176.117 -0.011 0.000 1.036 339 I CA -1.069 60.257 61.300 0.044 0.000 1.074 339 I CB 1.722 39.633 38.000 -0.149 0.000 1.258 339 I HN 0.629 nan 8.210 nan 0.000 0.430 340 N N 3.909 122.596 118.700 -0.023 0.000 2.966 340 N HA 0.314 5.054 4.740 0.001 0.000 0.314 340 N C 0.263 175.777 175.510 0.006 0.000 1.397 340 N CA -0.982 52.027 53.050 -0.068 0.000 0.776 340 N CB 0.971 39.275 38.487 -0.305 0.000 1.576 340 N HN 0.520 nan 8.380 nan 0.000 0.592 341 K N -0.990 119.441 120.400 0.051 0.000 2.103 341 K HA -0.098 4.222 4.320 0.001 0.000 0.207 341 K C 1.620 178.247 176.600 0.046 0.000 1.048 341 K CA 1.064 57.368 56.287 0.029 0.000 0.930 341 K CB -0.246 32.323 32.500 0.116 0.000 0.716 341 K HN 0.417 nan 8.250 nan 0.000 0.444 342 L N 1.157 122.420 121.223 0.067 0.000 2.046 342 L HA -0.190 4.150 4.340 0.001 0.000 0.208 342 L C 2.070 178.977 176.870 0.062 0.000 1.077 342 L CA 1.709 56.598 54.840 0.082 0.000 0.747 342 L CB -0.437 41.705 42.059 0.139 0.000 0.896 342 L HN 0.261 nan 8.230 nan 0.000 0.432 343 M N -1.791 117.832 119.600 0.038 0.000 2.108 343 M HA -0.238 4.242 4.480 0.001 0.000 0.261 343 M C 2.391 178.746 176.300 0.092 0.000 1.066 343 M CA 1.729 57.068 55.300 0.066 0.000 1.107 343 M CB -1.385 31.208 32.600 -0.012 0.000 1.356 343 M HN 0.250 nan 8.290 nan 0.000 0.406 344 Y N 0.881 121.206 120.300 0.042 0.000 2.263 344 Y HA -0.098 4.453 4.550 0.000 0.000 0.292 344 Y C 2.751 178.562 175.900 -0.148 0.000 1.130 344 Y CA 1.524 59.534 58.100 -0.150 0.000 1.179 344 Y CB -1.362 36.893 38.460 -0.342 0.000 0.998 344 Y HN 0.290 nan 8.280 nan 0.000 0.532 345 T N 0.013 114.608 114.554 0.067 0.000 2.821 345 T HA -0.133 4.217 4.350 0.001 0.000 0.267 345 T C 1.944 176.665 174.700 0.036 0.000 1.046 345 T CA 1.025 63.146 62.100 0.034 0.000 1.139 345 T CB -0.096 68.796 68.868 0.040 0.000 0.871 345 T HN 0.173 nan 8.240 nan 0.000 0.454 346 R N 0.770 121.310 120.500 0.067 0.000 2.152 346 R HA 0.060 4.400 4.340 0.001 0.000 0.232 346 R C 2.299 178.631 176.300 0.054 0.000 1.117 346 R CA 0.619 56.770 56.100 0.084 0.000 0.981 346 R CB -1.105 29.279 30.300 0.139 0.000 0.870 346 R HN 0.346 nan 8.270 nan 0.000 0.451 347 L N 0.900 122.120 121.223 -0.005 0.000 1.988 347 L HA -0.068 4.273 4.340 0.001 0.000 0.207 347 L C 2.159 178.979 176.870 -0.083 0.000 1.071 347 L CA 1.565 56.333 54.840 -0.119 0.000 0.744 347 L CB -0.768 41.000 42.059 -0.485 0.000 0.893 347 L HN 0.029 nan 8.230 nan 0.000 0.433 348 L N -0.353 120.825 121.223 -0.076 0.000 2.013 348 L HA -0.250 4.090 4.340 0.001 0.000 0.212 348 L C 2.106 178.962 176.870 -0.022 0.000 1.073 348 L CA 1.681 56.490 54.840 -0.051 0.000 0.753 348 L CB -0.654 41.378 42.059 -0.044 0.000 0.890 348 L HN 0.262 nan 8.230 nan 0.000 0.432 349 K N 0.345 120.742 120.400 -0.006 0.000 2.522 349 K HA 0.129 4.449 4.320 0.001 0.000 0.194 349 K C 0.829 177.437 176.600 0.013 0.000 1.026 349 K CA 0.391 56.682 56.287 0.007 0.000 1.119 349 K CB -0.045 32.465 32.500 0.016 0.000 0.856 349 K HN 0.372 nan 8.250 nan 0.000 0.513 350 G N 2.366 111.172 108.800 0.010 0.000 2.386 350 G HA2 -0.291 3.670 3.960 0.001 0.000 0.295 350 G HA3 -0.291 3.670 3.960 0.001 0.000 0.295 350 G C -0.447 174.472 174.900 0.032 0.000 0.979 350 G CA 0.623 45.735 45.100 0.019 0.000 1.193 350 G HN 0.448 nan 8.290 nan 0.000 0.508 351 E N -0.643 119.585 120.200 0.046 0.000 2.493 351 E HA 0.493 4.843 4.350 0.001 0.000 0.243 351 E C -0.685 175.959 176.600 0.073 0.000 0.875 351 E CA -1.149 55.284 56.400 0.054 0.000 0.872 351 E CB 0.909 30.643 29.700 0.058 0.000 1.476 351 E HN 0.146 nan 8.360 nan 0.000 0.394 352 D N 0.391 120.835 120.400 0.074 0.000 2.253 352 D HA 0.387 5.028 4.640 0.001 0.000 0.249 352 D C -0.621 175.758 176.300 0.131 0.000 1.049 352 D CA -0.104 53.945 54.000 0.082 0.000 0.929 352 D CB 0.955 41.784 40.800 0.048 0.000 1.176 352 D HN 0.203 nan 8.370 nan 0.000 0.437 353 I N 1.027 121.683 120.570 0.142 0.000 2.378 353 I HA 0.154 4.324 4.170 0.001 0.000 0.291 353 I C 0.138 176.346 176.117 0.152 0.000 0.992 353 I CA -0.426 61.002 61.300 0.213 0.000 1.154 353 I CB 1.713 39.844 38.000 0.219 0.000 1.315 353 I HN 0.056 nan 8.210 nan 0.000 0.448 354 T N 7.075 121.733 114.554 0.173 0.000 2.882 354 T HA 0.546 4.896 4.350 0.001 0.000 0.287 354 T C -0.114 174.528 174.700 -0.095 0.000 0.992 354 T CA -0.433 61.594 62.100 -0.122 0.000 1.076 354 T CB 0.789 69.411 68.868 -0.410 0.000 0.961 354 T HN 0.264 nan 8.240 nan 0.000 0.490 355 L N 3.216 124.257 121.223 -0.303 0.000 2.325 355 L HA 0.708 5.048 4.340 0.001 0.000 0.278 355 L C -0.907 175.708 176.870 -0.426 0.000 1.023 355 L CA -0.879 53.901 54.840 -0.099 0.000 0.811 355 L CB 0.996 43.050 42.059 -0.009 0.000 1.249 355 L HN 0.593 nan 8.230 nan 0.000 0.431 356 F N -0.567 119.504 119.950 0.201 0.000 2.599 356 F HA 0.368 4.896 4.527 0.001 0.000 0.311 356 F C 0.341 176.163 175.800 0.038 0.000 1.076 356 F CA -0.951 57.099 58.000 0.082 0.000 0.937 356 F CB 2.083 41.102 39.000 0.032 0.000 1.282 356 F HN 0.360 nan 8.300 nan 0.000 0.460 357 S N 3.149 118.919 115.700 0.117 0.000 2.531 357 S HA 0.216 4.687 4.470 0.001 0.000 0.279 357 S C -1.495 173.170 174.600 0.108 0.000 1.305 357 S CA -1.245 56.927 58.200 -0.047 0.000 1.058 357 S CB 0.870 64.039 63.200 -0.051 0.000 0.899 357 S HN 0.421 nan 8.310 nan 0.000 0.493 358 P HA -0.116 nan 4.420 nan 0.000 0.221 358 P C 1.381 178.728 177.300 0.079 0.000 1.145 358 P CA 1.215 64.468 63.100 0.255 0.000 0.795 358 P CB -0.320 31.517 31.700 0.228 0.000 0.775 359 S N -1.268 114.435 115.700 0.005 0.000 2.481 359 S HA -0.080 4.390 4.470 0.001 0.000 0.231 359 S C 1.317 175.879 174.600 -0.064 0.000 0.996 359 S CA 0.847 59.018 58.200 -0.048 0.000 0.942 359 S CB -0.767 62.386 63.200 -0.078 0.000 0.768 359 S HN 0.060 nan 8.310 nan 0.000 0.520 360 D N 1.327 121.687 120.400 -0.066 0.000 2.360 360 D HA 0.144 4.785 4.640 0.001 0.000 0.210 360 D C 0.356 176.484 176.300 -0.286 0.000 1.047 360 D CA 0.367 54.297 54.000 -0.117 0.000 0.854 360 D CB 1.025 41.794 40.800 -0.052 0.000 0.936 360 D HN 0.510 nan 8.370 nan 0.000 0.514 361 V N -0.353 119.359 119.914 -0.337 0.000 2.315 361 V HA 0.392 4.513 4.120 0.001 0.000 0.265 361 V C -2.839 173.047 176.094 -0.347 0.000 1.019 361 V CA -2.022 59.855 62.300 -0.705 0.000 0.824 361 V CB 1.073 32.379 31.823 -0.862 0.000 1.072 361 V HN -0.223 nan 8.190 nan 0.000 0.448 362 P HA 0.252 nan 4.420 nan 0.000 0.268 362 P C 1.195 178.558 177.300 0.105 0.000 1.204 362 P CA 1.705 64.801 63.100 -0.006 0.000 0.768 362 P CB 1.236 32.942 31.700 0.010 0.000 0.842 363 G N 2.399 111.280 108.800 0.136 0.000 2.212 363 G HA2 -0.310 3.650 3.960 0.001 0.000 0.266 363 G HA3 -0.310 3.650 3.960 0.001 0.000 0.266 363 G C 0.760 175.793 174.900 0.223 0.000 0.978 363 G CA 0.237 45.441 45.100 0.174 0.000 0.632 363 G HN 0.543 nan 8.290 nan 0.000 0.537 364 L N -0.723 120.628 121.223 0.213 0.000 2.023 364 L HA 0.031 4.371 4.340 0.001 0.000 0.205 364 L C 2.375 179.493 176.870 0.413 0.000 1.073 364 L CA 2.803 57.757 54.840 0.191 0.000 0.745 364 L CB -0.778 41.232 42.059 -0.082 0.000 0.900 364 L HN 0.412 nan 8.230 nan 0.000 0.435 365 Y N 1.474 122.020 120.300 0.410 0.000 2.081 365 Y HA -0.353 4.197 4.550 0.000 0.000 0.280 365 Y C 2.416 178.696 175.900 0.633 0.000 1.163 365 Y CA 2.331 60.810 58.100 0.633 0.000 1.135 365 Y CB -0.293 38.484 38.460 0.528 0.000 0.970 365 Y HN 0.334 nan 8.280 nan 0.000 0.498 366 D N -0.131 120.592 120.400 0.538 0.000 2.092 366 D HA -0.214 4.426 4.640 0.001 0.000 0.193 366 D C 2.326 178.821 176.300 0.325 0.000 0.994 366 D CA 1.701 55.942 54.000 0.402 0.000 0.828 366 D CB -0.881 40.096 40.800 0.293 0.000 0.963 366 D HN 0.463 nan 8.370 nan 0.000 0.450 367 A N 0.440 123.443 122.820 0.305 0.000 1.986 367 A HA -0.211 4.109 4.320 0.001 0.000 0.220 367 A C 2.065 179.789 177.584 0.232 0.000 1.171 367 A CA 1.092 53.294 52.037 0.274 0.000 0.640 367 A CB -1.023 18.161 19.000 0.306 0.000 0.811 367 A HN 0.255 nan 8.150 nan 0.000 0.451 368 F N -0.400 119.553 119.950 0.005 0.000 2.202 368 F HA -0.132 4.395 4.527 0.000 0.000 0.301 368 F C 1.585 176.996 175.800 -0.649 0.000 1.082 368 F CA 1.408 59.054 58.000 -0.590 0.000 1.313 368 F CB -0.322 38.366 39.000 -0.520 0.000 1.024 368 F HN 0.237 nan 8.300 nan 0.000 0.495 369 F N -0.820 118.990 119.950 -0.233 0.000 2.437 369 F HA 0.273 4.800 4.527 0.001 0.000 0.288 369 F C 2.330 178.035 175.800 -0.157 0.000 1.085 369 F CA 0.844 58.673 58.000 -0.285 0.000 1.430 369 F CB -0.953 37.920 39.000 -0.212 0.000 1.120 369 F HN -0.052 nan 8.300 nan 0.000 0.556 370 A N -2.033 120.850 122.820 0.105 0.000 2.229 370 A HA 0.182 4.502 4.320 0.001 0.000 0.211 370 A C -0.248 177.368 177.584 0.054 0.000 1.193 370 A CA 0.483 52.568 52.037 0.080 0.000 0.879 370 A CB 0.219 19.278 19.000 0.098 0.000 0.911 370 A HN 0.155 nan 8.150 nan 0.000 0.492 371 D N -1.035 119.398 120.400 0.056 0.000 2.333 371 D HA 0.175 4.815 4.640 0.001 0.000 0.225 371 D C 0.269 176.623 176.300 0.091 0.000 1.345 371 D CA -0.227 53.813 54.000 0.066 0.000 0.971 371 D CB 0.892 41.739 40.800 0.080 0.000 1.451 371 D HN -0.072 nan 8.370 nan 0.000 0.561 372 Q N 1.469 121.308 119.800 0.064 0.000 2.123 372 Q HA -0.091 4.250 4.340 0.001 0.000 0.199 372 Q C 1.639 177.731 176.000 0.152 0.000 0.966 372 Q CA 1.089 56.951 55.803 0.098 0.000 0.845 372 Q CB 0.261 29.029 28.738 0.049 0.000 0.907 372 Q HN 0.702 nan 8.270 nan 0.000 0.439 373 E N 0.680 120.937 120.200 0.095 0.000 2.072 373 E HA -0.206 4.144 4.350 0.001 0.000 0.190 373 E C 1.752 178.390 176.600 0.064 0.000 0.982 373 E CA 1.236 57.679 56.400 0.071 0.000 0.803 373 E CB -0.258 29.466 29.700 0.040 0.000 0.755 373 E HN 0.274 nan 8.360 nan 0.000 0.453 374 E N 0.912 121.155 120.200 0.071 0.000 2.153 374 E HA -0.182 4.168 4.350 0.001 0.000 0.194 374 E C 1.823 178.464 176.600 0.069 0.000 0.988 374 E CA 0.837 57.269 56.400 0.053 0.000 0.811 374 E CB -0.518 29.219 29.700 0.063 0.000 0.746 374 E HN 0.300 nan 8.360 nan 0.000 0.466 375 F N 1.315 121.265 119.950 0.000 0.000 2.075 375 F HA -0.112 4.415 4.527 0.000 0.000 0.297 375 F C 2.227 178.017 175.800 -0.016 0.000 1.113 375 F CA 2.179 60.177 58.000 -0.004 0.000 1.218 375 F CB -0.479 38.532 39.000 0.018 0.000 0.984 375 F HN 0.151 nan 8.300 nan 0.000 0.472 376 E N 0.282 120.480 120.200 -0.002 0.000 2.038 376 E HA -0.301 4.050 4.350 0.001 0.000 0.195 376 E C 2.550 179.076 176.600 -0.124 0.000 1.000 376 E CA 1.596 57.954 56.400 -0.071 0.000 0.803 376 E CB -0.404 29.321 29.700 0.042 0.000 0.750 376 E HN 0.396 nan 8.360 nan 0.000 0.448 377 R N 0.182 120.622 120.500 -0.100 0.000 2.112 377 R HA -0.198 4.143 4.340 0.001 0.000 0.242 377 R C 2.481 178.633 176.300 -0.247 0.000 1.137 377 R CA 1.954 57.974 56.100 -0.134 0.000 0.944 377 R CB -0.390 29.852 30.300 -0.098 0.000 0.857 377 R HN 0.307 nan 8.270 nan 0.000 0.435 378 L N -0.797 120.242 121.223 -0.307 0.000 2.109 378 L HA -0.169 4.171 4.340 0.001 0.000 0.207 378 L C 2.378 178.890 176.870 -0.597 0.000 1.086 378 L CA 1.033 55.563 54.840 -0.517 0.000 0.760 378 L CB -0.521 41.335 42.059 -0.339 0.000 0.910 378 L HN 0.273 nan 8.230 nan 0.000 0.437 379 Y N 1.206 121.117 120.300 -0.647 0.000 2.114 379 Y HA -0.311 4.239 4.550 0.000 0.000 0.284 379 Y C 3.014 178.730 175.900 -0.308 0.000 1.143 379 Y CA 2.239 59.979 58.100 -0.600 0.000 1.135 379 Y CB -0.530 37.435 38.460 -0.825 0.000 0.980 379 Y HN 0.303 nan 8.280 nan 0.000 0.499 380 T N -1.544 112.921 114.554 -0.149 0.000 2.746 380 T HA -0.268 4.082 4.350 0.001 0.000 0.267 380 T C 1.947 176.538 174.700 -0.181 0.000 1.039 380 T CA 1.733 63.761 62.100 -0.121 0.000 1.142 380 T CB -0.557 68.274 68.868 -0.061 0.000 0.866 380 T HN 0.338 nan 8.240 nan 0.000 0.444 381 K N 0.168 120.401 120.400 -0.279 0.000 2.020 381 K HA -0.188 4.133 4.320 0.001 0.000 0.212 381 K C 2.120 178.563 176.600 -0.262 0.000 1.050 381 K CA 1.740 57.832 56.287 -0.326 0.000 0.929 381 K CB -0.560 31.636 32.500 -0.506 0.000 0.714 381 K HN 0.413 nan 8.250 nan 0.000 0.443 382 Y N 1.521 121.691 120.300 -0.217 0.000 2.293 382 Y HA -0.084 4.467 4.550 0.000 0.000 0.291 382 Y C 2.066 177.946 175.900 -0.032 0.000 1.137 382 Y CA 1.150 59.136 58.100 -0.191 0.000 1.202 382 Y CB -0.402 37.777 38.460 -0.470 0.000 0.990 382 Y HN 0.276 nan 8.280 nan 0.000 0.537 383 E N 0.179 120.408 120.200 0.048 0.000 2.058 383 E HA -0.249 4.101 4.350 0.001 0.000 0.194 383 E C 2.053 178.652 176.600 -0.002 0.000 0.997 383 E CA 1.471 57.875 56.400 0.007 0.000 0.801 383 E CB -0.134 29.499 29.700 -0.111 0.000 0.746 383 E HN 0.300 nan 8.360 nan 0.000 0.450 384 K N 1.038 121.425 120.400 -0.023 0.000 2.063 384 K HA -0.121 4.200 4.320 0.001 0.000 0.208 384 K C 0.671 177.273 176.600 0.003 0.000 1.048 384 K CA 0.877 57.152 56.287 -0.020 0.000 0.928 384 K CB -0.099 32.378 32.500 -0.039 0.000 0.713 384 K HN 0.005 nan 8.250 nan 0.000 0.442 385 D N 0.777 121.197 120.400 0.034 0.000 2.382 385 D HA -0.060 4.580 4.640 0.001 0.000 0.259 385 D C -0.026 176.298 176.300 0.040 0.000 1.224 385 D CA 0.192 54.221 54.000 0.049 0.000 0.894 385 D CB 0.706 41.567 40.800 0.102 0.000 1.127 385 D HN 0.045 nan 8.370 nan 0.000 0.487 386 D N 1.643 122.053 120.400 0.017 0.000 2.269 386 D HA -0.127 4.513 4.640 0.001 0.000 0.208 386 D C 1.740 178.043 176.300 0.005 0.000 0.963 386 D CA 0.716 54.719 54.000 0.005 0.000 0.864 386 D CB 0.124 40.923 40.800 -0.003 0.000 0.936 386 D HN 0.481 nan 8.370 nan 0.000 0.505 387 S N -0.180 115.528 115.700 0.012 0.000 2.527 387 S HA 0.012 4.483 4.470 0.001 0.000 0.222 387 S C 0.973 175.576 174.600 0.005 0.000 0.985 387 S CA -0.215 57.989 58.200 0.006 0.000 0.921 387 S CB 0.153 63.356 63.200 0.006 0.000 0.772 387 S HN -0.019 nan 8.310 nan 0.000 0.529 388 I N 3.336 123.919 120.570 0.021 0.000 2.396 388 I HA 0.279 4.449 4.170 0.001 0.000 0.289 388 I C 0.807 176.937 176.117 0.022 0.000 1.056 388 I CA -0.259 61.056 61.300 0.026 0.000 1.365 388 I CB 0.259 38.304 38.000 0.074 0.000 1.407 388 I HN 0.307 nan 8.210 nan 0.000 0.509 389 R N 7.621 128.123 120.500 0.003 0.000 2.570 389 R HA 0.220 4.560 4.340 0.001 0.000 0.277 389 R C -0.348 175.922 176.300 -0.050 0.000 1.039 389 R CA 0.283 56.368 56.100 -0.025 0.000 1.065 389 R CB 0.554 30.836 30.300 -0.030 0.000 0.964 389 R HN 0.865 nan 8.270 nan 0.000 0.428 390 K N 1.974 122.291 120.400 -0.137 0.000 2.658 390 K HA 0.222 4.542 4.320 0.001 0.000 0.293 390 K C -1.821 174.635 176.600 -0.240 0.000 1.026 390 K CA -1.105 54.994 56.287 -0.313 0.000 0.871 390 K CB 1.384 33.576 32.500 -0.514 0.000 1.524 390 K HN 0.508 nan 8.250 nan 0.000 0.400 391 Q N 1.145 120.778 119.800 -0.278 0.000 2.345 391 Q HA 0.395 4.735 4.340 0.001 0.000 0.275 391 Q C -1.459 174.432 176.000 -0.181 0.000 1.063 391 Q CA -0.861 54.836 55.803 -0.177 0.000 0.819 391 Q CB 2.570 31.239 28.738 -0.116 0.000 1.356 391 Q HN 0.639 nan 8.270 nan 0.000 0.418 392 R N 0.740 121.166 120.500 -0.122 0.000 2.532 392 R HA 0.650 4.990 4.340 0.001 0.000 0.295 392 R C -0.402 175.875 176.300 -0.038 0.000 0.968 392 R CA -0.521 55.529 56.100 -0.084 0.000 0.916 392 R CB 1.732 31.990 30.300 -0.070 0.000 1.124 392 R HN 0.464 nan 8.270 nan 0.000 0.463 393 V N -1.030 118.881 119.914 -0.005 0.000 3.102 393 V HA 0.581 4.701 4.120 0.001 0.000 0.312 393 V C -0.773 175.346 176.094 0.041 0.000 1.135 393 V CA -1.315 60.994 62.300 0.015 0.000 1.022 393 V CB 2.078 33.912 31.823 0.018 0.000 1.056 393 V HN 0.480 nan 8.190 nan 0.000 0.436 394 K N 1.631 122.058 120.400 0.045 0.000 2.339 394 K HA 0.673 4.993 4.320 0.001 0.000 0.286 394 K C 1.080 177.740 176.600 0.100 0.000 1.050 394 K CA 0.663 56.987 56.287 0.062 0.000 0.956 394 K CB 1.117 33.646 32.500 0.048 0.000 0.990 394 K HN 0.963 nan 8.250 nan 0.000 0.475 395 A N 3.668 126.567 122.820 0.131 0.000 1.978 395 A HA -0.122 4.198 4.320 0.001 0.000 0.220 395 A C 1.706 179.457 177.584 0.278 0.000 1.170 395 A CA 1.751 53.922 52.037 0.224 0.000 0.636 395 A CB -0.448 18.682 19.000 0.216 0.000 0.810 395 A HN 0.546 nan 8.150 nan 0.000 0.448 396 V N -0.262 119.746 119.914 0.157 0.000 2.427 396 V HA -0.230 3.890 4.120 0.001 0.000 0.248 396 V C 2.293 178.477 176.094 0.149 0.000 1.051 396 V CA 2.119 64.499 62.300 0.133 0.000 1.048 396 V CB -0.807 31.056 31.823 0.067 0.000 0.666 396 V HN 0.622 nan 8.190 nan 0.000 0.456 397 E N -0.098 120.170 120.200 0.114 0.000 2.072 397 E HA -0.171 4.179 4.350 0.001 0.000 0.190 397 E C 2.109 178.760 176.600 0.085 0.000 0.982 397 E CA 0.981 57.431 56.400 0.082 0.000 0.803 397 E CB -0.153 29.578 29.700 0.052 0.000 0.755 397 E HN 0.387 nan 8.360 nan 0.000 0.453 398 L N 0.046 121.326 121.223 0.095 0.000 2.056 398 L HA -0.109 4.232 4.340 0.001 0.000 0.207 398 L C 1.838 178.710 176.870 0.003 0.000 1.078 398 L CA 1.589 56.449 54.840 0.033 0.000 0.749 398 L CB -0.380 41.682 42.059 0.005 0.000 0.901 398 L HN 0.046 nan 8.230 nan 0.000 0.433 399 F N -0.738 119.232 119.950 0.034 0.000 2.186 399 F HA -0.172 4.355 4.527 0.000 0.000 0.299 399 F C 2.567 178.389 175.800 0.037 0.000 1.090 399 F CA 1.627 59.650 58.000 0.040 0.000 1.307 399 F CB -0.509 38.519 39.000 0.047 0.000 1.019 399 F HN 0.030 nan 8.300 nan 0.000 0.489 400 S N 0.073 115.894 115.700 0.202 0.000 2.402 400 S HA -0.140 4.330 4.470 0.001 0.000 0.229 400 S C 1.910 176.549 174.600 0.065 0.000 1.021 400 S CA 0.857 59.125 58.200 0.113 0.000 0.974 400 S CB -0.486 62.761 63.200 0.079 0.000 0.800 400 S HN 0.254 nan 8.310 nan 0.000 0.484 401 L N 1.899 123.151 121.223 0.049 0.000 2.027 401 L HA 0.050 4.390 4.340 0.001 0.000 0.206 401 L C 2.237 179.116 176.870 0.015 0.000 1.074 401 L CA 1.758 56.609 54.840 0.019 0.000 0.745 401 L CB -0.675 41.387 42.059 0.005 0.000 0.898 401 L HN 0.327 nan 8.230 nan 0.000 0.433 402 M N -1.490 118.117 119.600 0.011 0.000 2.082 402 M HA -0.273 4.207 4.480 0.001 0.000 0.258 402 M C 2.025 178.350 176.300 0.042 0.000 1.069 402 M CA 2.066 57.372 55.300 0.010 0.000 1.102 402 M CB -0.061 32.515 32.600 -0.039 0.000 1.336 402 M HN 0.299 nan 8.290 nan 0.000 0.404 403 M N -0.007 119.636 119.600 0.072 0.000 2.229 403 M HA -0.183 4.297 4.480 0.001 0.000 0.264 403 M C 2.189 178.507 176.300 0.032 0.000 1.063 403 M CA 1.616 56.961 55.300 0.075 0.000 1.114 403 M CB -1.641 31.018 32.600 0.098 0.000 1.387 403 M HN 0.545 nan 8.290 nan 0.000 0.420 404 Q N 0.602 120.413 119.800 0.019 0.000 2.084 404 Q HA -0.187 4.153 4.340 0.001 0.000 0.202 404 Q C 1.538 177.539 176.000 0.002 0.000 0.978 404 Q CA 1.365 57.168 55.803 -0.001 0.000 0.844 404 Q CB 0.018 28.755 28.738 -0.002 0.000 0.898 404 Q HN 0.403 nan 8.270 nan 0.000 0.426 405 E N 0.925 121.129 120.200 0.007 0.000 2.077 405 E HA -0.199 4.151 4.350 0.001 0.000 0.193 405 E C 2.062 178.670 176.600 0.013 0.000 0.989 405 E CA 1.074 57.477 56.400 0.005 0.000 0.800 405 E CB -0.386 29.314 29.700 -0.001 0.000 0.746 405 E HN 0.414 nan 8.360 nan 0.000 0.452 406 R N 0.811 121.328 120.500 0.027 0.000 2.096 406 R HA -0.159 4.182 4.340 0.001 0.000 0.240 406 R C 2.201 178.537 176.300 0.059 0.000 1.139 406 R CA 1.736 57.865 56.100 0.048 0.000 0.952 406 R CB -0.219 30.133 30.300 0.087 0.000 0.854 406 R HN 0.145 nan 8.270 nan 0.000 0.436 407 A N 0.158 123.001 122.820 0.038 0.000 1.930 407 A HA -0.132 4.189 4.320 0.001 0.000 0.217 407 A C 2.143 179.742 177.584 0.025 0.000 1.175 407 A CA 1.736 53.789 52.037 0.026 0.000 0.627 407 A CB -0.460 18.521 19.000 -0.031 0.000 0.815 407 A HN 0.623 nan 8.150 nan 0.000 0.443 408 S N -0.976 114.731 115.700 0.013 0.000 2.470 408 S HA -0.080 4.390 4.470 0.001 0.000 0.225 408 S C 1.740 176.347 174.600 0.013 0.000 1.006 408 S CA 1.549 59.754 58.200 0.008 0.000 0.934 408 S CB -0.640 62.559 63.200 -0.001 0.000 0.778 408 S HN 0.735 nan 8.310 nan 0.000 0.517 409 T N -3.445 111.118 114.554 0.016 0.000 3.000 409 T HA 0.488 4.839 4.350 0.001 0.000 0.248 409 T C 1.806 176.518 174.700 0.021 0.000 1.034 409 T CA 0.904 63.011 62.100 0.012 0.000 1.060 409 T CB -0.373 68.498 68.868 0.006 0.000 0.983 409 T HN 1.154 nan 8.240 nan 0.000 0.482 410 G N 2.616 111.444 108.800 0.047 0.000 2.184 410 G HA2 -0.274 3.687 3.960 0.001 0.000 0.264 410 G HA3 -0.274 3.687 3.960 0.001 0.000 0.264 410 G C 0.805 175.787 174.900 0.136 0.000 0.975 410 G CA 0.333 45.493 45.100 0.101 0.000 0.642 410 G HN 0.631 nan 8.290 nan 0.000 0.536 411 R N -0.368 120.119 120.500 -0.021 0.000 2.659 411 R HA 0.373 4.714 4.340 0.001 0.000 0.418 411 R C -0.089 175.818 176.300 -0.655 0.000 1.076 411 R CA -0.330 55.591 56.100 -0.299 0.000 1.093 411 R CB 0.639 30.872 30.300 -0.113 0.000 1.400 411 R HN 0.332 nan 8.270 nan 0.000 0.583 412 I N 2.160 122.516 120.570 -0.357 0.000 2.328 412 I HA 0.307 4.478 4.170 0.001 0.000 0.287 412 I C -0.303 175.723 176.117 -0.152 0.000 1.012 412 I CA -1.413 59.733 61.300 -0.257 0.000 1.195 412 I CB 0.193 38.166 38.000 -0.045 0.000 1.350 412 I HN -0.031 nan 8.210 nan 0.000 0.464 413 Y N 6.183 126.521 120.300 0.062 0.000 2.496 413 Y HA 0.598 5.148 4.550 0.001 0.000 0.331 413 Y C 0.174 176.117 175.900 0.071 0.000 1.140 413 Y CA -1.436 56.708 58.100 0.072 0.000 1.166 413 Y CB 1.113 39.600 38.460 0.044 0.000 1.249 413 Y HN 0.291 nan 8.280 nan 0.000 0.479 414 I N 1.327 122.080 120.570 0.305 0.000 2.404 414 I HA 0.311 4.482 4.170 0.001 0.000 0.293 414 I C -0.541 175.727 176.117 0.252 0.000 0.992 414 I CA -0.590 60.856 61.300 0.242 0.000 1.149 414 I CB 1.752 39.912 38.000 0.266 0.000 1.315 414 I HN 0.522 nan 8.210 nan 0.000 0.446 415 Q N 5.490 125.431 119.800 0.234 0.000 2.333 415 Q HA 0.407 4.748 4.340 0.001 0.000 0.268 415 Q C -1.202 174.894 176.000 0.160 0.000 1.007 415 Q CA -0.738 55.189 55.803 0.207 0.000 0.810 415 Q CB 1.086 29.959 28.738 0.225 0.000 1.264 415 Q HN 0.502 nan 8.270 nan 0.000 0.452 416 N N 4.410 123.206 118.700 0.159 0.000 2.663 416 N HA 0.038 4.778 4.740 0.001 0.000 0.250 416 N C 1.027 176.537 175.510 0.001 0.000 1.129 416 N CA 0.093 53.216 53.050 0.121 0.000 0.995 416 N CB 1.321 39.895 38.487 0.145 0.000 1.324 416 N HN 0.565 nan 8.380 nan 0.000 0.512 417 V N -0.717 119.127 119.914 -0.116 0.000 2.759 417 V HA -0.193 3.927 4.120 0.001 0.000 0.256 417 V C 1.631 177.609 176.094 -0.193 0.000 1.080 417 V CA 1.487 63.678 62.300 -0.182 0.000 1.101 417 V CB -0.359 31.193 31.823 -0.451 0.000 0.698 417 V HN 0.361 nan 8.190 nan 0.000 0.477 418 D N -0.077 120.187 120.400 -0.226 0.000 2.103 418 D HA -0.228 4.412 4.640 0.001 0.000 0.199 418 D C 1.937 178.248 176.300 0.020 0.000 0.978 418 D CA 1.924 55.844 54.000 -0.133 0.000 0.829 418 D CB -0.883 39.853 40.800 -0.106 0.000 0.981 418 D HN 0.507 nan 8.370 nan 0.000 0.464 419 H N 0.062 119.112 119.070 -0.033 0.000 2.421 419 H HA 0.019 4.575 4.556 0.000 0.000 0.298 419 H C 2.169 177.500 175.328 0.006 0.000 1.087 419 H CA 0.600 56.619 56.048 -0.049 0.000 1.330 419 H CB -0.833 28.865 29.762 -0.107 0.000 1.388 419 H HN 0.291 nan 8.280 nan 0.000 0.526 420 C N 0.543 119.915 119.300 0.119 0.000 2.437 420 C HA 0.002 4.462 4.460 0.001 0.000 0.283 420 C C 2.023 177.051 174.990 0.063 0.000 1.424 420 C CA 0.541 59.604 59.018 0.076 0.000 1.782 420 C CB -0.474 27.294 27.740 0.046 0.000 1.833 420 C HN 0.596 nan 8.230 nan 0.000 0.532 421 N N -0.672 118.063 118.700 0.058 0.000 2.239 421 N HA -0.028 4.713 4.740 0.001 0.000 0.208 421 N C 1.668 177.206 175.510 0.047 0.000 1.200 421 N CA 1.101 54.181 53.050 0.051 0.000 0.895 421 N CB 0.054 38.566 38.487 0.041 0.000 1.085 421 N HN 0.639 nan 8.380 nan 0.000 0.500 422 T N -2.391 112.199 114.554 0.060 0.000 3.051 422 T HA 0.004 4.354 4.350 0.001 0.000 0.255 422 T C 0.456 175.202 174.700 0.077 0.000 1.085 422 T CA 0.753 62.883 62.100 0.049 0.000 1.109 422 T CB -0.090 68.804 68.868 0.043 0.000 0.921 422 T HN 0.048 nan 8.240 nan 0.000 0.488 423 H N 0.868 119.915 119.070 -0.038 0.000 2.645 423 H HA 0.699 5.255 4.556 0.001 0.000 0.257 423 H C -1.223 174.080 175.328 -0.043 0.000 1.269 423 H CA -0.835 55.174 56.048 -0.066 0.000 1.409 423 H CB 0.455 30.164 29.762 -0.089 0.000 1.434 423 H HN 0.241 nan 8.280 nan 0.000 0.505 424 S N 4.408 119.992 115.700 -0.193 0.000 2.542 424 S HA 0.251 4.721 4.470 0.001 0.000 0.276 424 S C -2.395 172.059 174.600 -0.244 0.000 1.148 424 S CA -1.082 57.022 58.200 -0.160 0.000 0.886 424 S CB 1.397 64.607 63.200 0.017 0.000 1.109 424 S HN 0.393 nan 8.310 nan 0.000 0.458 425 P HA 0.118 nan 4.420 nan 0.000 0.231 425 P C -0.319 176.605 177.300 -0.627 0.000 1.158 425 P CA 0.692 63.478 63.100 -0.524 0.000 0.763 425 P CB -0.283 31.134 31.700 -0.471 0.000 0.805 426 F N 0.135 120.047 119.950 -0.064 0.000 2.508 426 F HA 0.328 4.855 4.527 0.000 0.000 0.325 426 F C 0.725 176.488 175.800 -0.061 0.000 1.090 426 F CA -1.446 56.526 58.000 -0.046 0.000 0.945 426 F CB 0.843 39.831 39.000 -0.020 0.000 1.156 426 F HN -0.337 nan 8.300 nan 0.000 0.463 427 D N 4.862 125.340 120.400 0.130 0.000 2.338 427 D HA 0.139 4.779 4.640 0.001 0.000 0.255 427 D C -1.569 174.768 176.300 0.063 0.000 1.237 427 D CA -2.345 51.687 54.000 0.054 0.000 0.883 427 D CB 1.236 42.045 40.800 0.015 0.000 1.087 427 D HN 0.153 nan 8.370 nan 0.000 0.485 428 P HA -0.098 nan 4.420 nan 0.000 0.225 428 P C 0.898 178.215 177.300 0.029 0.000 1.148 428 P CA 0.539 63.663 63.100 0.040 0.000 0.779 428 P CB 0.237 31.962 31.700 0.043 0.000 0.780 429 A N -0.301 122.533 122.820 0.023 0.000 1.968 429 A HA -0.053 4.268 4.320 0.001 0.000 0.217 429 A C 2.152 179.738 177.584 0.003 0.000 1.169 429 A CA 1.149 53.196 52.037 0.018 0.000 0.638 429 A CB -1.007 18.000 19.000 0.012 0.000 0.812 429 A HN 0.200 nan 8.150 nan 0.000 0.446 430 I N -2.535 118.033 120.570 -0.005 0.000 3.300 430 I HA 0.244 4.415 4.170 0.001 0.000 0.279 430 I C 1.132 177.221 176.117 -0.048 0.000 1.172 430 I CA 0.801 62.083 61.300 -0.030 0.000 1.431 430 I CB 0.401 38.382 38.000 -0.033 0.000 1.240 430 I HN 0.187 nan 8.210 nan 0.000 0.453 431 A N 2.622 125.426 122.820 -0.028 0.000 3.370 431 A HA 0.472 4.793 4.320 0.001 0.000 0.295 431 A C -2.666 174.852 177.584 -0.110 0.000 1.030 431 A CA -1.052 50.935 52.037 -0.082 0.000 0.883 431 A CB -0.386 18.579 19.000 -0.057 0.000 1.191 431 A HN -0.078 nan 8.150 nan 0.000 0.507 432 P HA 0.219 nan 4.420 nan 0.000 0.272 432 P C -0.085 177.102 177.300 -0.189 0.000 1.223 432 P CA 0.165 63.211 63.100 -0.090 0.000 0.784 432 P CB 1.337 33.001 31.700 -0.061 0.000 0.923 433 V N 4.963 124.791 119.914 -0.143 0.000 2.406 433 V HA 0.231 4.351 4.120 0.001 0.000 0.272 433 V C 1.568 177.515 176.094 -0.245 0.000 1.043 433 V CA 0.124 62.312 62.300 -0.186 0.000 0.915 433 V CB 0.358 32.133 31.823 -0.080 0.000 0.988 433 V HN 0.560 nan 8.190 nan 0.000 0.466 434 R N 3.723 123.977 120.500 -0.410 0.000 2.549 434 R HA 0.259 4.599 4.340 0.001 0.000 0.344 434 R C 0.129 176.148 176.300 -0.468 0.000 0.979 434 R CA -0.071 55.555 56.100 -0.790 0.000 1.140 434 R CB 0.964 30.651 30.300 -1.022 0.000 1.377 434 R HN 0.951 nan 8.270 nan 0.000 0.541 435 Q N -2.178 117.377 119.800 -0.409 0.000 2.894 435 Q HA 0.416 4.756 4.340 0.001 0.000 0.328 435 Q C -1.302 174.258 176.000 -0.734 0.000 0.807 435 Q CA -0.814 54.574 55.803 -0.693 0.000 0.831 435 Q CB 1.224 29.596 28.738 -0.609 0.000 1.389 435 Q HN -0.072 nan 8.270 nan 0.000 0.489 436 S N -0.612 114.362 115.700 -1.210 0.000 2.903 436 S HA 0.600 5.071 4.470 0.001 0.000 0.314 436 S C -1.370 173.118 174.600 -0.187 0.000 1.177 436 S CA -0.151 57.740 58.200 -0.514 0.000 0.859 436 S CB 1.173 64.228 63.200 -0.242 0.000 1.265 436 S HN 0.835 nan 8.310 nan 0.000 0.584 437 N N 0.561 119.291 118.700 0.050 0.000 2.725 437 N HA 0.239 4.980 4.740 0.001 0.000 0.312 437 N C 1.083 176.702 175.510 0.181 0.000 1.295 437 N CA -0.563 52.548 53.050 0.102 0.000 0.914 437 N CB -0.408 38.091 38.487 0.019 0.000 1.177 437 N HN 0.515 nan 8.380 nan 0.000 0.601 438 L N -0.038 121.237 121.223 0.088 0.000 1.990 438 L HA -0.060 4.280 4.340 0.001 0.000 0.213 438 L C 1.888 178.748 176.870 -0.018 0.000 1.072 438 L CA 2.645 57.517 54.840 0.053 0.000 0.755 438 L CB -0.973 41.107 42.059 0.035 0.000 0.889 438 L HN 0.779 nan 8.230 nan 0.000 0.432 439 A N -1.746 121.039 122.820 -0.060 0.000 2.379 439 A HA 0.305 4.625 4.320 0.001 0.000 0.236 439 A C 0.964 178.425 177.584 -0.205 0.000 1.272 439 A CA 0.019 51.949 52.037 -0.178 0.000 0.886 439 A CB -0.231 18.692 19.000 -0.128 0.000 0.962 439 A HN 0.440 nan 8.150 nan 0.000 0.504 440 L N -0.645 120.518 121.223 -0.100 0.000 4.089 440 L HA -0.187 4.153 4.340 0.001 0.000 0.408 440 L C 1.498 178.345 176.870 -0.039 0.000 1.184 440 L CA 1.461 56.271 54.840 -0.050 0.000 0.947 440 L CB -2.023 39.937 42.059 -0.166 0.000 2.066 440 L HN 0.856 nan 8.230 nan 0.000 0.851 441 E N -0.805 119.375 120.200 -0.034 0.000 2.490 441 E HA 0.108 4.459 4.350 0.001 0.000 0.209 441 E C 0.772 177.370 176.600 -0.003 0.000 0.971 441 E CA -0.081 56.308 56.400 -0.018 0.000 0.988 441 E CB 0.636 30.325 29.700 -0.019 0.000 1.029 441 E HN 0.432 nan 8.360 nan 0.000 0.496 442 I N 2.189 122.754 120.570 -0.009 0.000 2.353 442 I HA 0.445 4.615 4.170 0.001 0.000 0.293 442 I C -0.177 175.921 176.117 -0.032 0.000 0.992 442 I CA -0.733 60.562 61.300 -0.008 0.000 1.268 442 I CB 1.174 39.166 38.000 -0.012 0.000 1.387 442 I HN 0.085 nan 8.210 nan 0.000 0.478 443 A N 8.370 131.185 122.820 -0.008 0.000 2.855 443 A HA 0.739 5.059 4.320 0.001 0.000 0.313 443 A C -0.826 176.759 177.584 0.002 0.000 1.173 443 A CA -0.385 51.637 52.037 -0.026 0.000 0.753 443 A CB 0.502 19.507 19.000 0.009 0.000 1.200 443 A HN 0.623 nan 8.150 nan 0.000 0.442 444 L N 1.571 122.734 121.223 -0.101 0.000 2.350 444 L HA 0.628 4.968 4.340 0.001 0.000 0.260 444 L C -2.602 174.069 176.870 -0.332 0.000 1.015 444 L CA -2.570 52.147 54.840 -0.205 0.000 0.821 444 L CB 2.763 44.760 42.059 -0.104 0.000 1.370 444 L HN 0.302 nan 8.230 nan 0.000 0.416 445 P HA 0.308 nan 4.420 nan 0.000 0.278 445 P C -0.947 176.219 177.300 -0.224 0.000 1.238 445 P CA -0.290 62.575 63.100 -0.393 0.000 0.794 445 P CB 1.125 32.530 31.700 -0.492 0.000 0.955 446 T N -1.357 113.092 114.554 -0.176 0.000 2.865 446 T HA 0.750 5.101 4.350 0.001 0.000 0.294 446 T C -1.121 173.533 174.700 -0.076 0.000 1.119 446 T CA -0.954 61.082 62.100 -0.106 0.000 1.007 446 T CB 2.022 70.823 68.868 -0.111 0.000 1.225 446 T HN 0.424 nan 8.240 nan 0.000 0.515 447 K N 0.893 121.270 120.400 -0.037 0.000 2.550 447 K HA 0.554 4.874 4.320 0.001 0.000 0.252 447 K C -3.166 173.432 176.600 -0.004 0.000 0.943 447 K CA -1.843 54.431 56.287 -0.021 0.000 0.806 447 K CB 2.079 34.569 32.500 -0.015 0.000 1.289 447 K HN 0.339 nan 8.250 nan 0.000 0.435 448 P HA 0.063 nan 4.420 nan 0.000 0.270 448 P C -1.073 176.241 177.300 0.024 0.000 1.223 448 P CA -0.380 62.727 63.100 0.012 0.000 0.785 448 P CB 0.435 32.144 31.700 0.015 0.000 0.923 449 L N 2.404 123.648 121.223 0.034 0.000 2.334 449 L HA 0.382 4.722 4.340 0.001 0.000 0.272 449 L C 1.480 178.378 176.870 0.047 0.000 1.020 449 L CA 0.095 54.961 54.840 0.042 0.000 0.812 449 L CB 0.509 42.599 42.059 0.051 0.000 1.264 449 L HN 0.210 nan 8.230 nan 0.000 0.439 450 N N 0.440 119.166 118.700 0.044 0.000 2.416 450 N HA 0.013 4.754 4.740 0.001 0.000 0.177 450 N C -0.528 175.013 175.510 0.052 0.000 1.036 450 N CA 0.492 53.569 53.050 0.046 0.000 0.901 450 N CB 0.201 38.712 38.487 0.039 0.000 0.976 450 N HN 0.746 nan 8.380 nan 0.000 0.444 451 D N -2.803 117.628 120.400 0.052 0.000 2.685 451 D HA 0.095 4.735 4.640 0.001 0.000 0.236 451 D C 0.801 177.134 176.300 0.054 0.000 1.233 451 D CA -0.480 53.551 54.000 0.052 0.000 0.760 451 D CB 0.947 41.773 40.800 0.043 0.000 1.410 451 D HN -0.263 nan 8.370 nan 0.000 0.439 452 V N 1.610 121.556 119.914 0.054 0.000 2.453 452 V HA -0.128 3.992 4.120 0.001 0.000 0.252 452 V C 1.316 177.440 176.094 0.050 0.000 1.068 452 V CA 1.543 63.876 62.300 0.054 0.000 1.070 452 V CB -0.590 31.260 31.823 0.045 0.000 0.664 452 V HN 0.588 nan 8.190 nan 0.000 0.461 453 N N -0.516 118.209 118.700 0.042 0.000 2.203 453 N HA 0.071 4.811 4.740 0.001 0.000 0.207 453 N C 0.323 175.857 175.510 0.039 0.000 1.130 453 N CA -0.027 53.046 53.050 0.038 0.000 0.861 453 N CB -0.038 38.467 38.487 0.029 0.000 1.005 453 N HN 0.481 nan 8.380 nan 0.000 0.507 454 D N 1.984 122.410 120.400 0.043 0.000 2.570 454 D HA -0.087 4.553 4.640 0.001 0.000 0.243 454 D C 1.060 177.387 176.300 0.045 0.000 1.171 454 D CA 0.535 54.559 54.000 0.041 0.000 0.879 454 D CB 0.751 41.576 40.800 0.042 0.000 1.143 454 D HN 0.067 nan 8.370 nan 0.000 0.511 455 E N 3.111 123.336 120.200 0.042 0.000 2.358 455 E HA -0.096 4.255 4.350 0.001 0.000 0.195 455 E C 0.622 177.257 176.600 0.058 0.000 1.010 455 E CA 0.422 56.851 56.400 0.047 0.000 0.856 455 E CB 0.071 29.796 29.700 0.041 0.000 0.795 455 E HN 0.493 nan 8.360 nan 0.000 0.504 456 N N 0.678 119.406 118.700 0.047 0.000 2.336 456 N HA 0.029 4.770 4.740 0.001 0.000 0.189 456 N C 0.678 176.213 175.510 0.042 0.000 1.113 456 N CA 0.240 53.315 53.050 0.042 0.000 0.858 456 N CB 0.379 38.880 38.487 0.024 0.000 0.970 456 N HN 0.026 nan 8.380 nan 0.000 0.471 457 G N -0.026 108.804 108.800 0.051 0.000 2.599 457 G HA2 0.308 4.268 3.960 0.001 0.000 0.264 457 G HA3 0.308 4.268 3.960 0.001 0.000 0.264 457 G C -0.627 174.316 174.900 0.071 0.000 1.200 457 G CA -0.243 44.886 45.100 0.049 0.000 0.896 457 G HN 0.112 nan 8.290 nan 0.000 0.536 458 E N -0.151 120.084 120.200 0.057 0.000 2.317 458 E HA 0.309 4.660 4.350 0.001 0.000 0.270 458 E C -1.078 175.541 176.600 0.032 0.000 0.899 458 E CA -0.494 55.951 56.400 0.074 0.000 0.814 458 E CB 1.447 31.212 29.700 0.108 0.000 1.296 458 E HN 0.334 nan 8.360 nan 0.000 0.404 459 I N 3.158 123.748 120.570 0.034 0.000 2.336 459 I HA 0.380 4.550 4.170 0.001 0.000 0.292 459 I C 0.385 176.493 176.117 -0.016 0.000 0.991 459 I CA -0.504 60.797 61.300 0.001 0.000 1.227 459 I CB 1.589 39.603 38.000 0.023 0.000 1.366 459 I HN 0.533 nan 8.210 nan 0.000 0.466 460 A N 7.958 130.747 122.820 -0.051 0.000 2.401 460 A HA 0.712 5.032 4.320 0.001 0.000 0.259 460 A C -0.511 177.037 177.584 -0.059 0.000 1.103 460 A CA -0.019 51.986 52.037 -0.052 0.000 0.789 460 A CB 0.317 19.269 19.000 -0.080 0.000 1.035 460 A HN 0.703 nan 8.150 nan 0.000 0.491 461 L N 0.992 122.203 121.223 -0.021 0.000 2.350 461 L HA 0.678 5.018 4.340 0.001 0.000 0.260 461 L C -0.662 176.218 176.870 0.017 0.000 1.015 461 L CA -0.665 54.167 54.840 -0.013 0.000 0.821 461 L CB 2.352 44.441 42.059 0.050 0.000 1.370 461 L HN 0.810 nan 8.230 nan 0.000 0.416 462 C N 0.356 119.665 119.300 0.014 0.000 2.985 462 C HA 0.706 5.166 4.460 0.001 0.000 0.332 462 C C -0.397 174.608 174.990 0.026 0.000 1.164 462 C CA -0.137 58.898 59.018 0.027 0.000 1.347 462 C CB 1.898 29.651 27.740 0.023 0.000 1.764 462 C HN 0.856 nan 8.230 nan 0.000 0.489 463 T N 5.936 120.505 114.554 0.026 0.000 2.824 463 T HA 0.637 4.988 4.350 0.001 0.000 0.280 463 T C -0.531 174.170 174.700 0.002 0.000 0.995 463 T CA -0.260 61.849 62.100 0.015 0.000 1.009 463 T CB 0.914 69.786 68.868 0.006 0.000 0.955 463 T HN 0.580 nan 8.240 nan 0.000 0.452 464 L N 1.699 122.923 121.223 0.001 0.000 2.319 464 L HA 0.872 5.212 4.340 0.001 0.000 0.267 464 L C 0.195 177.051 176.870 -0.023 0.000 1.011 464 L CA -0.740 54.095 54.840 -0.008 0.000 0.818 464 L CB 2.051 44.115 42.059 0.008 0.000 1.316 464 L HN 0.636 nan 8.230 nan 0.000 0.432 465 S N -0.342 115.326 115.700 -0.053 0.000 2.656 465 S HA 0.827 5.297 4.470 0.001 0.000 0.265 465 S C -1.751 172.761 174.600 -0.147 0.000 1.132 465 S CA -0.383 57.769 58.200 -0.080 0.000 0.819 465 S CB 1.929 65.071 63.200 -0.097 0.000 1.119 465 S HN 0.827 nan 8.310 nan 0.000 0.476 466 A N 0.706 123.419 122.820 -0.179 0.000 2.520 466 A HA 0.790 5.110 4.320 0.001 0.000 0.298 466 A C -1.783 175.662 177.584 -0.231 0.000 1.051 466 A CA -0.587 51.328 52.037 -0.204 0.000 0.690 466 A CB 0.537 19.520 19.000 -0.029 0.000 1.281 466 A HN 0.459 nan 8.150 nan 0.000 0.402 467 F N 1.704 121.657 119.950 0.005 0.000 2.443 467 F HA 0.319 4.846 4.527 0.000 0.000 0.353 467 F C 1.028 176.830 175.800 0.003 0.000 1.101 467 F CA -0.382 57.605 58.000 -0.020 0.000 1.226 467 F CB 0.816 39.773 39.000 -0.073 0.000 1.140 467 F HN 0.593 nan 8.300 nan 0.000 0.557 468 N N 4.157 122.989 118.700 0.221 0.000 2.521 468 N HA 0.132 4.872 4.740 0.001 0.000 0.236 468 N C 0.719 176.318 175.510 0.148 0.000 1.067 468 N CA 0.061 53.219 53.050 0.180 0.000 0.939 468 N CB 0.278 38.876 38.487 0.185 0.000 1.201 468 N HN 0.703 nan 8.380 nan 0.000 0.511 469 L N 1.596 122.882 121.223 0.104 0.000 2.353 469 L HA -0.038 4.302 4.340 0.001 0.000 0.220 469 L C 1.894 178.872 176.870 0.181 0.000 1.133 469 L CA 1.063 55.895 54.840 -0.013 0.000 0.798 469 L CB -0.140 41.760 42.059 -0.265 0.000 0.922 469 L HN 0.547 nan 8.230 nan 0.000 0.445 470 G N -1.059 107.905 108.800 0.273 0.000 2.777 470 G HA2 0.110 4.071 3.960 0.001 0.000 0.211 470 G HA3 0.110 4.071 3.960 0.001 0.000 0.211 470 G C 1.326 176.401 174.900 0.291 0.000 1.149 470 G CA 0.584 45.903 45.100 0.365 0.000 0.785 470 G HN 0.405 nan 8.290 nan 0.000 0.536 471 A N 0.230 123.174 122.820 0.207 0.000 2.390 471 A HA 0.567 4.887 4.320 0.001 0.000 0.232 471 A C 0.753 178.383 177.584 0.077 0.000 1.233 471 A CA -0.300 51.827 52.037 0.151 0.000 0.907 471 A CB -0.232 18.862 19.000 0.157 0.000 0.967 471 A HN 0.540 nan 8.150 nan 0.000 0.512 472 I N -3.776 116.837 120.570 0.070 0.000 2.377 472 I HA 0.404 4.574 4.170 0.001 0.000 0.293 472 I C 0.405 176.544 176.117 0.037 0.000 0.987 472 I CA -0.805 60.506 61.300 0.019 0.000 1.185 472 I CB 1.239 39.222 38.000 -0.028 0.000 1.341 472 I HN -0.031 nan 8.210 nan 0.000 0.455 473 N N 4.250 122.951 118.700 0.002 0.000 2.171 473 N HA -0.099 4.641 4.740 0.001 0.000 0.184 473 N C -0.030 175.489 175.510 0.015 0.000 1.021 473 N CA 1.298 54.346 53.050 -0.002 0.000 0.854 473 N CB -0.135 38.336 38.487 -0.027 0.000 0.994 473 N HN 0.886 nan 8.380 nan 0.000 0.426 474 N N -1.546 117.156 118.700 0.003 0.000 2.825 474 N HA 0.197 4.937 4.740 0.001 0.000 0.253 474 N C 0.066 175.569 175.510 -0.011 0.000 1.426 474 N CA -0.661 52.399 53.050 0.017 0.000 0.851 474 N CB 0.923 39.410 38.487 -0.000 0.000 1.470 474 N HN -0.267 nan 8.380 nan 0.000 0.517 475 L N -0.539 120.691 121.223 0.011 0.000 2.265 475 L HA -0.045 4.296 4.340 0.001 0.000 0.215 475 L C 0.670 177.537 176.870 -0.005 0.000 1.117 475 L CA 0.980 55.822 54.840 0.003 0.000 0.782 475 L CB -0.378 41.719 42.059 0.063 0.000 0.914 475 L HN 0.673 nan 8.230 nan 0.000 0.441 476 D N -0.115 120.280 120.400 -0.009 0.000 2.363 476 D HA -0.102 4.538 4.640 0.001 0.000 0.220 476 D C 1.828 177.964 176.300 -0.273 0.000 0.994 476 D CA 0.524 54.478 54.000 -0.077 0.000 0.890 476 D CB 0.195 41.005 40.800 0.018 0.000 0.906 476 D HN 0.412 nan 8.370 nan 0.000 0.530 477 E N 0.139 120.205 120.200 -0.224 0.000 2.268 477 E HA -0.060 4.290 4.350 0.001 0.000 0.195 477 E C 1.928 178.305 176.600 -0.371 0.000 0.995 477 E CA 0.203 56.453 56.400 -0.250 0.000 0.836 477 E CB 0.110 29.707 29.700 -0.171 0.000 0.763 477 E HN 0.318 nan 8.360 nan 0.000 0.491 478 L N 0.747 121.680 121.223 -0.485 0.000 2.362 478 L HA -0.144 4.197 4.340 0.001 0.000 0.219 478 L C 2.411 178.848 176.870 -0.722 0.000 1.134 478 L CA 0.675 55.143 54.840 -0.620 0.000 0.807 478 L CB -0.241 41.478 42.059 -0.567 0.000 0.927 478 L HN 0.158 nan 8.230 nan 0.000 0.447 479 E N 0.814 120.347 120.200 -1.111 0.000 2.017 479 E HA -0.266 4.084 4.350 0.001 0.000 0.193 479 E C 1.932 178.313 176.600 -0.364 0.000 0.997 479 E CA 1.674 57.511 56.400 -0.939 0.000 0.804 479 E CB 0.142 29.329 29.700 -0.855 0.000 0.757 479 E HN 0.432 nan 8.360 nan 0.000 0.448 480 E N 0.519 120.540 120.200 -0.299 0.000 2.058 480 E HA -0.193 4.157 4.350 0.001 0.000 0.194 480 E C 2.168 178.722 176.600 -0.077 0.000 0.997 480 E CA 1.426 57.732 56.400 -0.158 0.000 0.801 480 E CB -0.177 29.429 29.700 -0.157 0.000 0.746 480 E HN 0.309 nan 8.360 nan 0.000 0.450 481 L N 0.161 121.324 121.223 -0.100 0.000 2.093 481 L HA -0.108 4.232 4.340 0.001 0.000 0.208 481 L C 2.412 179.434 176.870 0.253 0.000 1.085 481 L CA 0.997 55.872 54.840 0.059 0.000 0.755 481 L CB -0.458 41.609 42.059 0.013 0.000 0.904 481 L HN 0.151 nan 8.230 nan 0.000 0.435 482 A N 0.383 123.286 122.820 0.139 0.000 1.898 482 A HA -0.152 4.169 4.320 0.001 0.000 0.216 482 A C 2.245 179.930 177.584 0.169 0.000 1.181 482 A CA 1.398 53.592 52.037 0.262 0.000 0.620 482 A CB -0.621 18.460 19.000 0.136 0.000 0.819 482 A HN 0.329 nan 8.150 nan 0.000 0.442 483 I N -0.408 120.222 120.570 0.101 0.000 2.127 483 I HA -0.245 3.925 4.170 0.001 0.000 0.241 483 I C 2.247 178.480 176.117 0.194 0.000 1.075 483 I CA 0.879 62.252 61.300 0.121 0.000 1.334 483 I CB -0.332 37.728 38.000 0.100 0.000 1.040 483 I HN 0.210 nan 8.210 nan 0.000 0.405 484 L N 0.673 122.034 121.223 0.230 0.000 2.017 484 L HA -0.170 4.170 4.340 0.001 0.000 0.208 484 L C 2.801 179.909 176.870 0.398 0.000 1.073 484 L CA 2.289 57.352 54.840 0.371 0.000 0.745 484 L CB -1.907 40.382 42.059 0.383 0.000 0.894 484 L HN 0.243 nan 8.230 nan 0.000 0.432 485 A N -0.764 122.234 122.820 0.297 0.000 1.877 485 A HA -0.141 4.179 4.320 0.001 0.000 0.216 485 A C 2.440 180.078 177.584 0.090 0.000 1.186 485 A CA 1.871 54.028 52.037 0.200 0.000 0.620 485 A CB -0.817 18.214 19.000 0.053 0.000 0.822 485 A HN 0.225 nan 8.150 nan 0.000 0.443 486 V N -0.193 119.771 119.914 0.084 0.000 2.358 486 V HA -0.251 3.869 4.120 0.001 0.000 0.246 486 V C 2.641 178.728 176.094 -0.013 0.000 1.047 486 V CA 2.276 64.592 62.300 0.026 0.000 1.035 486 V CB -0.815 31.028 31.823 0.032 0.000 0.658 486 V HN 0.513 nan 8.190 nan 0.000 0.452 487 R N -0.024 120.486 120.500 0.016 0.000 2.073 487 R HA -0.032 4.308 4.340 0.001 0.000 0.229 487 R C 2.474 178.586 176.300 -0.312 0.000 1.120 487 R CA 1.324 57.396 56.100 -0.048 0.000 0.967 487 R CB -0.603 29.733 30.300 0.060 0.000 0.862 487 R HN 0.525 nan 8.270 nan 0.000 0.436 488 A N 1.321 123.915 122.820 -0.376 0.000 1.865 488 A HA -0.166 4.154 4.320 0.001 0.000 0.217 488 A C 2.142 179.445 177.584 -0.469 0.000 1.191 488 A CA 1.351 52.946 52.037 -0.737 0.000 0.623 488 A CB -0.652 17.991 19.000 -0.594 0.000 0.826 488 A HN 0.183 nan 8.150 nan 0.000 0.444 489 L N -0.992 120.089 121.223 -0.236 0.000 2.109 489 L HA -0.146 4.194 4.340 0.001 0.000 0.207 489 L C 2.386 179.170 176.870 -0.144 0.000 1.086 489 L CA 1.631 56.372 54.840 -0.164 0.000 0.760 489 L CB -0.723 41.285 42.059 -0.085 0.000 0.910 489 L HN 0.409 nan 8.230 nan 0.000 0.437 490 D N 0.371 120.692 120.400 -0.131 0.000 2.149 490 D HA -0.178 4.462 4.640 0.001 0.000 0.198 490 D C 2.154 178.387 176.300 -0.113 0.000 0.990 490 D CA 1.357 55.299 54.000 -0.096 0.000 0.839 490 D CB 0.203 40.958 40.800 -0.076 0.000 0.948 490 D HN 0.250 nan 8.370 nan 0.000 0.460 491 A N 0.016 122.717 122.820 -0.198 0.000 1.902 491 A HA -0.114 4.206 4.320 0.001 0.000 0.217 491 A C 2.130 179.612 177.584 -0.169 0.000 1.181 491 A CA 1.261 53.171 52.037 -0.212 0.000 0.623 491 A CB -0.937 17.827 19.000 -0.393 0.000 0.818 491 A HN 0.370 nan 8.150 nan 0.000 0.443 492 L N 0.081 121.171 121.223 -0.222 0.000 2.043 492 L HA -0.189 4.151 4.340 0.001 0.000 0.212 492 L C 2.304 179.187 176.870 0.021 0.000 1.075 492 L CA 1.758 56.510 54.840 -0.145 0.000 0.752 492 L CB -0.594 41.340 42.059 -0.208 0.000 0.891 492 L HN 0.445 nan 8.230 nan 0.000 0.432 493 L N -0.744 120.494 121.223 0.025 0.000 2.081 493 L HA -0.266 4.074 4.340 0.001 0.000 0.212 493 L C 1.925 178.911 176.870 0.193 0.000 1.080 493 L CA 1.583 56.497 54.840 0.123 0.000 0.754 493 L CB -0.831 41.275 42.059 0.078 0.000 0.893 493 L HN 0.340 nan 8.230 nan 0.000 0.433 494 D N -1.915 118.557 120.400 0.119 0.000 2.347 494 D HA -0.121 4.519 4.640 0.001 0.000 0.213 494 D C 1.701 178.103 176.300 0.171 0.000 0.985 494 D CA 0.718 54.792 54.000 0.124 0.000 0.879 494 D CB 0.251 41.081 40.800 0.050 0.000 0.919 494 D HN 0.341 nan 8.370 nan 0.000 0.526 495 Y N 1.765 122.072 120.300 0.011 0.000 2.301 495 Y HA 0.016 4.566 4.550 0.000 0.000 0.295 495 Y C 1.301 177.236 175.900 0.058 0.000 1.126 495 Y CA 0.300 58.397 58.100 -0.005 0.000 1.154 495 Y CB 0.078 38.495 38.460 -0.072 0.000 1.075 495 Y HN -0.120 nan 8.280 nan 0.000 0.534 496 Q N 1.269 121.165 119.800 0.161 0.000 2.492 496 Q HA 0.104 4.444 4.340 0.001 0.000 0.238 496 Q C -0.885 174.995 176.000 -0.200 0.000 1.045 496 Q CA -0.341 55.510 55.803 0.080 0.000 0.934 496 Q CB 0.606 29.431 28.738 0.145 0.000 1.276 496 Q HN 0.174 nan 8.270 nan 0.000 0.521 497 D N 0.186 120.425 120.400 -0.268 0.000 2.340 497 D HA 0.299 4.940 4.640 0.001 0.000 0.251 497 D C -1.233 174.772 176.300 -0.491 0.000 1.080 497 D CA -0.062 53.783 54.000 -0.259 0.000 0.971 497 D CB 0.592 41.291 40.800 -0.169 0.000 1.137 497 D HN 0.441 nan 8.370 nan 0.000 0.475 498 Y N 0.432 120.732 120.300 -0.000 0.000 2.402 498 Y HA 0.230 4.780 4.550 0.001 0.000 0.325 498 Y C -1.370 174.505 175.900 -0.042 0.000 1.009 498 Y CA -1.305 56.810 58.100 0.026 0.000 1.278 498 Y CB 1.843 40.329 38.460 0.043 0.000 1.105 498 Y HN 0.198 nan 8.280 nan 0.000 0.476 499 P HA 0.031 nan 4.420 nan 0.000 0.225 499 P C 0.009 177.264 177.300 -0.074 0.000 1.156 499 P CA 1.125 64.138 63.100 -0.146 0.000 0.787 499 P CB 1.152 32.625 31.700 -0.379 0.000 0.802 500 I N 0.745 121.327 120.570 0.020 0.000 2.389 500 I HA 0.230 4.401 4.170 0.001 0.000 0.288 500 I C -1.720 174.470 176.117 0.122 0.000 0.999 500 I CA -2.907 58.445 61.300 0.087 0.000 1.129 500 I CB 1.410 39.512 38.000 0.170 0.000 1.288 500 I HN -0.294 nan 8.210 nan 0.000 0.444 501 P HA -0.206 nan 4.420 nan 0.000 0.216 501 P C 1.543 178.872 177.300 0.048 0.000 1.157 501 P CA 1.949 65.077 63.100 0.048 0.000 0.880 501 P CB 0.383 32.105 31.700 0.038 0.000 0.791 502 A N -0.537 122.326 122.820 0.073 0.000 2.019 502 A HA -0.107 4.213 4.320 0.001 0.000 0.219 502 A C 2.285 179.915 177.584 0.076 0.000 1.164 502 A CA 2.034 54.116 52.037 0.075 0.000 0.644 502 A CB -1.446 17.601 19.000 0.078 0.000 0.805 502 A HN 0.230 nan 8.150 nan 0.000 0.449 503 A N -0.402 122.494 122.820 0.126 0.000 1.929 503 A HA -0.065 4.255 4.320 0.001 0.000 0.216 503 A C 2.095 179.719 177.584 0.067 0.000 1.176 503 A CA 1.678 53.809 52.037 0.156 0.000 0.628 503 A CB -0.376 18.828 19.000 0.340 0.000 0.816 503 A HN 0.512 nan 8.150 nan 0.000 0.444 504 K N -0.405 119.960 120.400 -0.057 0.000 2.057 504 K HA -0.139 4.181 4.320 0.001 0.000 0.207 504 K C 2.288 178.663 176.600 -0.375 0.000 1.049 504 K CA 1.176 57.146 56.287 -0.528 0.000 0.931 504 K CB -0.168 32.052 32.500 -0.467 0.000 0.714 504 K HN 0.331 nan 8.250 nan 0.000 0.440 505 R N -0.427 119.964 120.500 -0.182 0.000 2.096 505 R HA -0.106 4.234 4.340 0.001 0.000 0.235 505 R C 2.345 178.480 176.300 -0.274 0.000 1.127 505 R CA 1.500 57.502 56.100 -0.162 0.000 0.968 505 R CB -0.496 29.834 30.300 0.049 0.000 0.861 505 R HN 0.384 nan 8.270 nan 0.000 0.440 506 G N 0.444 109.169 108.800 -0.125 0.000 2.414 506 G HA2 -0.242 3.719 3.960 0.001 0.000 0.215 506 G HA3 -0.242 3.719 3.960 0.001 0.000 0.215 506 G C 1.550 176.351 174.900 -0.165 0.000 1.188 506 G CA 0.828 45.872 45.100 -0.093 0.000 0.783 506 G HN 0.414 nan 8.290 nan 0.000 0.537 507 A N 0.401 123.136 122.820 -0.142 0.000 1.902 507 A HA 0.029 4.350 4.320 0.001 0.000 0.217 507 A C 2.432 179.898 177.584 -0.198 0.000 1.181 507 A CA 2.045 54.025 52.037 -0.096 0.000 0.623 507 A CB -0.296 18.729 19.000 0.041 0.000 0.818 507 A HN 0.310 nan 8.150 nan 0.000 0.443 508 M N -0.796 118.601 119.600 -0.339 0.000 2.236 508 M HA 0.002 4.482 4.480 0.001 0.000 0.266 508 M C 2.331 178.347 176.300 -0.472 0.000 1.070 508 M CA 1.294 56.387 55.300 -0.344 0.000 1.137 508 M CB -1.731 30.661 32.600 -0.347 0.000 1.378 508 M HN 0.464 nan 8.290 nan 0.000 0.426 509 G N 1.000 109.317 108.800 -0.804 0.000 2.418 509 G HA2 -0.192 3.768 3.960 0.001 0.000 0.217 509 G HA3 -0.192 3.768 3.960 0.001 0.000 0.217 509 G C 1.798 176.293 174.900 -0.674 0.000 1.158 509 G CA 0.525 44.733 45.100 -1.487 0.000 0.771 509 G HN 0.475 nan 8.290 nan 0.000 0.545 510 R N -1.183 119.139 120.500 -0.297 0.000 2.369 510 R HA 0.256 4.596 4.340 0.001 0.000 0.210 510 R C 0.481 176.801 176.300 0.033 0.000 0.881 510 R CA -0.284 55.834 56.100 0.031 0.000 1.031 510 R CB 0.372 30.798 30.300 0.210 0.000 1.184 510 R HN 0.122 nan 8.270 nan 0.000 0.581 511 R N 2.196 122.673 120.500 -0.037 0.000 3.322 511 R HA -0.117 4.223 4.340 0.001 0.000 0.253 511 R C -0.606 175.715 176.300 0.034 0.000 0.987 511 R CA 1.031 57.124 56.100 -0.012 0.000 0.666 511 R CB -2.275 28.006 30.300 -0.031 0.000 1.072 511 R HN 0.414 nan 8.270 nan 0.000 0.447 512 T N -1.182 113.412 114.554 0.065 0.000 2.851 512 T HA 0.557 4.907 4.350 0.001 0.000 0.298 512 T C 0.728 175.464 174.700 0.060 0.000 0.977 512 T CA -0.624 61.533 62.100 0.095 0.000 1.126 512 T CB 1.517 70.474 68.868 0.148 0.000 0.916 512 T HN 0.237 nan 8.240 nan 0.000 0.529 513 L N 1.869 123.122 121.223 0.050 0.000 2.303 513 L HA 0.825 5.166 4.340 0.001 0.000 0.266 513 L C 0.567 177.457 176.870 0.033 0.000 1.011 513 L CA -1.339 53.516 54.840 0.026 0.000 0.818 513 L CB 2.308 44.370 42.059 0.005 0.000 1.326 513 L HN 0.953 nan 8.230 nan 0.000 0.435 514 G N 1.883 110.692 108.800 0.014 0.000 2.975 514 G HA2 0.589 4.549 3.960 0.001 0.000 0.299 514 G HA3 0.589 4.549 3.960 0.001 0.000 0.299 514 G C -1.087 173.805 174.900 -0.014 0.000 1.587 514 G CA -0.147 44.963 45.100 0.017 0.000 1.052 514 G HN 0.331 nan 8.290 nan 0.000 0.545 515 I N 2.335 122.888 120.570 -0.028 0.000 2.354 515 I HA 0.630 4.800 4.170 0.001 0.000 0.292 515 I C 0.954 177.035 176.117 -0.060 0.000 0.989 515 I CA -0.485 60.747 61.300 -0.113 0.000 1.188 515 I CB 2.056 39.922 38.000 -0.222 0.000 1.342 515 I HN 0.450 nan 8.210 nan 0.000 0.457 516 G N 4.984 113.743 108.800 -0.068 0.000 3.122 516 G HA2 0.778 4.738 3.960 0.001 0.000 0.180 516 G HA3 0.778 4.738 3.960 0.001 0.000 0.180 516 G C -0.694 174.230 174.900 0.040 0.000 1.279 516 G CA -0.407 44.711 45.100 0.031 0.000 0.987 516 G HN 0.527 nan 8.290 nan 0.000 0.589 517 V N -1.648 118.325 119.914 0.098 0.000 3.102 517 V HA 0.877 4.997 4.120 0.001 0.000 0.312 517 V C -0.392 175.784 176.094 0.137 0.000 1.135 517 V CA -1.013 61.357 62.300 0.115 0.000 1.022 517 V CB 1.506 33.385 31.823 0.093 0.000 1.056 517 V HN 1.103 nan 8.190 nan 0.000 0.436 518 I N -1.141 119.526 120.570 0.161 0.000 3.145 518 I HA 0.741 4.911 4.170 0.001 0.000 0.313 518 I C 0.259 176.528 176.117 0.253 0.000 1.122 518 I CA -0.832 60.586 61.300 0.196 0.000 0.987 518 I CB 2.156 40.253 38.000 0.162 0.000 1.236 518 I HN 0.718 nan 8.210 nan 0.000 0.453 519 N N 0.594 119.476 118.700 0.303 0.000 2.776 519 N HA -0.251 4.489 4.740 0.001 0.000 0.250 519 N C 0.106 175.885 175.510 0.448 0.000 1.112 519 N CA 1.020 54.300 53.050 0.383 0.000 0.733 519 N CB -1.105 37.615 38.487 0.388 0.000 1.097 519 N HN 0.848 nan 8.380 nan 0.000 0.558 520 F N 0.720 120.839 119.950 0.281 0.000 2.102 520 F HA 0.036 4.564 4.527 0.001 0.000 0.298 520 F C 2.157 178.165 175.800 0.346 0.000 1.105 520 F CA 2.029 60.199 58.000 0.284 0.000 1.239 520 F CB -0.656 38.516 39.000 0.286 0.000 0.991 520 F HN 0.194 nan 8.300 nan 0.000 0.474 521 A N -0.529 122.520 122.820 0.381 0.000 1.908 521 A HA -0.268 4.053 4.320 0.001 0.000 0.218 521 A C 2.163 179.895 177.584 0.247 0.000 1.181 521 A CA 1.828 54.069 52.037 0.341 0.000 0.627 521 A CB -1.697 17.646 19.000 0.571 0.000 0.818 521 A HN 0.608 nan 8.150 nan 0.000 0.445 522 Y N -1.123 119.316 120.300 0.231 0.000 2.114 522 Y HA -0.252 4.299 4.550 0.001 0.000 0.284 522 Y C 2.171 178.092 175.900 0.034 0.000 1.143 522 Y CA 1.597 59.768 58.100 0.119 0.000 1.135 522 Y CB -1.114 37.503 38.460 0.261 0.000 0.980 522 Y HN 0.425 nan 8.280 nan 0.000 0.499 523 Y N 0.534 120.729 120.300 -0.175 0.000 2.062 523 Y HA -0.360 4.190 4.550 0.001 0.000 0.276 523 Y C 2.311 178.087 175.900 -0.206 0.000 1.189 523 Y CA 2.454 60.428 58.100 -0.210 0.000 1.130 523 Y CB -0.777 37.656 38.460 -0.045 0.000 0.959 523 Y HN 0.205 nan 8.280 nan 0.000 0.499 524 L N -0.702 120.345 121.223 -0.295 0.000 2.046 524 L HA -0.255 4.085 4.340 0.001 0.000 0.208 524 L C 2.783 179.459 176.870 -0.323 0.000 1.077 524 L CA 1.223 55.817 54.840 -0.409 0.000 0.747 524 L CB -1.174 40.540 42.059 -0.575 0.000 0.896 524 L HN 0.396 nan 8.230 nan 0.000 0.432 525 A N 1.240 123.863 122.820 -0.329 0.000 1.877 525 A HA -0.232 4.088 4.320 0.001 0.000 0.216 525 A C 2.272 179.648 177.584 -0.346 0.000 1.186 525 A CA 2.056 53.871 52.037 -0.371 0.000 0.620 525 A CB -0.460 18.137 19.000 -0.672 0.000 0.822 525 A HN 0.548 nan 8.150 nan 0.000 0.443 526 K N -1.278 118.865 120.400 -0.428 0.000 2.432 526 K HA -0.079 4.242 4.320 0.001 0.000 0.196 526 K C 0.776 177.066 176.600 -0.517 0.000 1.038 526 K CA 1.410 57.428 56.287 -0.448 0.000 0.986 526 K CB -0.348 31.832 32.500 -0.532 0.000 0.782 526 K HN 0.576 nan 8.250 nan 0.000 0.485 527 H N 0.368 119.191 119.070 -0.412 0.000 2.526 527 H HA 0.205 4.761 4.556 0.001 0.000 0.274 527 H C 0.597 175.772 175.328 -0.256 0.000 0.999 527 H CA 0.548 56.385 56.048 -0.352 0.000 1.157 527 H CB 0.809 30.298 29.762 -0.454 0.000 1.407 527 H HN 0.538 nan 8.280 nan 0.000 0.568 528 G N 1.138 109.837 108.800 -0.168 0.000 2.221 528 G HA2 -0.279 3.681 3.960 0.001 0.000 0.265 528 G HA3 -0.279 3.681 3.960 0.001 0.000 0.265 528 G C -0.043 174.792 174.900 -0.108 0.000 1.041 528 G CA 0.102 45.123 45.100 -0.132 0.000 0.807 528 G HN 0.212 nan 8.290 nan 0.000 0.502 529 K N -0.575 119.745 120.400 -0.134 0.000 2.313 529 K HA 0.785 5.105 4.320 0.001 0.000 0.235 529 K C 0.628 177.154 176.600 -0.122 0.000 1.035 529 K CA -0.727 55.486 56.287 -0.124 0.000 0.868 529 K CB 1.514 33.921 32.500 -0.154 0.000 1.232 529 K HN 0.412 nan 8.250 nan 0.000 0.459 530 R N -0.278 120.169 120.500 -0.088 0.000 2.855 530 R HA 0.343 4.683 4.340 0.001 0.000 0.266 530 R C 0.689 176.974 176.300 -0.024 0.000 1.034 530 R CA -0.786 55.304 56.100 -0.017 0.000 0.944 530 R CB 0.309 30.650 30.300 0.068 0.000 1.219 530 R HN 0.477 nan 8.270 nan 0.000 0.474 531 Y N 0.596 120.931 120.300 0.059 0.000 2.206 531 Y HA -0.178 4.373 4.550 0.001 0.000 0.292 531 Y C 2.674 178.637 175.900 0.105 0.000 1.123 531 Y CA 2.146 60.316 58.100 0.117 0.000 1.142 531 Y CB 0.114 38.681 38.460 0.177 0.000 1.006 531 Y HN 0.666 nan 8.280 nan 0.000 0.518 532 S N -0.653 115.200 115.700 0.255 0.000 2.470 532 S HA -0.090 4.380 4.470 0.001 0.000 0.225 532 S C 1.097 175.768 174.600 0.120 0.000 1.006 532 S CA 0.985 59.291 58.200 0.177 0.000 0.934 532 S CB -0.300 62.982 63.200 0.136 0.000 0.778 532 S HN 0.566 nan 8.310 nan 0.000 0.517 533 D N -0.388 120.068 120.400 0.093 0.000 2.398 533 D HA 0.306 4.947 4.640 0.001 0.000 0.210 533 D C 1.382 177.707 176.300 0.042 0.000 1.094 533 D CA 0.489 54.526 54.000 0.062 0.000 0.839 533 D CB -0.382 40.447 40.800 0.048 0.000 0.963 533 D HN 0.530 nan 8.370 nan 0.000 0.506 534 G N 0.568 109.391 108.800 0.038 0.000 2.176 534 G HA2 -0.354 3.607 3.960 0.001 0.000 0.253 534 G HA3 -0.354 3.607 3.960 0.001 0.000 0.253 534 G C 1.151 176.050 174.900 -0.002 0.000 0.979 534 G CA 0.732 45.838 45.100 0.011 0.000 0.641 534 G HN 0.646 nan 8.290 nan 0.000 0.530 535 S N -0.732 114.967 115.700 -0.002 0.000 2.522 535 S HA 0.495 4.965 4.470 0.001 0.000 0.227 535 S C 2.083 176.664 174.600 -0.032 0.000 0.986 535 S CA 1.154 59.344 58.200 -0.017 0.000 0.929 535 S CB 0.287 63.476 63.200 -0.019 0.000 0.769 535 S HN 1.647 nan 8.310 nan 0.000 0.529 536 A N 1.253 124.053 122.820 -0.033 0.000 2.348 536 A HA 0.324 4.644 4.320 0.001 0.000 0.224 536 A C 1.701 179.301 177.584 0.027 0.000 1.227 536 A CA -0.015 52.000 52.037 -0.037 0.000 0.885 536 A CB -0.364 18.574 19.000 -0.104 0.000 0.933 536 A HN 0.409 nan 8.150 nan 0.000 0.506 537 N N 1.760 120.469 118.700 0.014 0.000 2.018 537 N HA -0.184 4.556 4.740 0.001 0.000 0.196 537 N C 1.333 176.883 175.510 0.066 0.000 1.043 537 N CA 1.952 55.015 53.050 0.021 0.000 0.856 537 N CB -0.333 38.139 38.487 -0.025 0.000 1.042 537 N HN 0.447 nan 8.380 nan 0.000 0.423 538 N N 0.263 118.985 118.700 0.037 0.000 2.188 538 N HA -0.077 4.664 4.740 0.001 0.000 0.184 538 N C 1.702 177.279 175.510 0.111 0.000 1.018 538 N CA 0.308 53.388 53.050 0.050 0.000 0.858 538 N CB -0.488 37.997 38.487 -0.002 0.000 0.989 538 N HN 0.188 nan 8.380 nan 0.000 0.426 539 L N 1.179 122.447 121.223 0.075 0.000 2.046 539 L HA -0.084 4.256 4.340 0.001 0.000 0.208 539 L C 1.860 178.856 176.870 0.210 0.000 1.077 539 L CA 1.698 56.581 54.840 0.073 0.000 0.747 539 L CB -1.146 40.888 42.059 -0.042 0.000 0.896 539 L HN 0.076 nan 8.230 nan 0.000 0.432 540 T N -1.275 113.446 114.554 0.279 0.000 2.708 540 T HA -0.241 4.109 4.350 0.001 0.000 0.266 540 T C 1.853 176.790 174.700 0.395 0.000 1.037 540 T CA 1.592 63.947 62.100 0.425 0.000 1.146 540 T CB -0.553 68.519 68.868 0.340 0.000 0.865 540 T HN 0.511 nan 8.240 nan 0.000 0.435 541 H N 1.574 120.765 119.070 0.202 0.000 2.321 541 H HA -0.026 4.530 4.556 0.001 0.000 0.300 541 H C 2.441 177.851 175.328 0.137 0.000 1.087 541 H CA 1.943 58.120 56.048 0.214 0.000 1.319 541 H CB -0.185 29.664 29.762 0.145 0.000 1.379 541 H HN 0.319 nan 8.280 nan 0.000 0.501 542 K N -0.375 120.226 120.400 0.334 0.000 2.020 542 K HA -0.133 4.188 4.320 0.001 0.000 0.212 542 K C 2.203 178.858 176.600 0.091 0.000 1.050 542 K CA 2.190 58.624 56.287 0.245 0.000 0.929 542 K CB -0.039 32.568 32.500 0.179 0.000 0.714 542 K HN 0.229 nan 8.250 nan 0.000 0.443 543 T N 0.254 114.851 114.554 0.072 0.000 2.708 543 T HA -0.111 4.239 4.350 0.001 0.000 0.266 543 T C 1.545 176.056 174.700 -0.315 0.000 1.037 543 T CA 1.590 63.632 62.100 -0.096 0.000 1.146 543 T CB -0.302 68.512 68.868 -0.089 0.000 0.865 543 T HN 0.178 nan 8.240 nan 0.000 0.435 544 F N 1.116 120.922 119.950 -0.239 0.000 2.367 544 F HA 0.132 4.659 4.527 0.000 0.000 0.298 544 F C 2.496 177.790 175.800 -0.844 0.000 1.094 544 F CA 0.407 58.189 58.000 -0.363 0.000 1.409 544 F CB -0.186 38.712 39.000 -0.170 0.000 1.064 544 F HN 0.162 nan 8.300 nan 0.000 0.528 545 E N 0.788 120.313 120.200 -1.125 0.000 2.058 545 E HA -0.254 4.096 4.350 0.001 0.000 0.194 545 E C 2.405 178.891 176.600 -0.190 0.000 0.997 545 E CA 1.222 57.056 56.400 -0.943 0.000 0.801 545 E CB -0.150 29.345 29.700 -0.342 0.000 0.746 545 E HN 0.332 nan 8.360 nan 0.000 0.450 546 A N 1.069 123.825 122.820 -0.106 0.000 1.908 546 A HA -0.181 4.139 4.320 0.001 0.000 0.218 546 A C 2.187 179.702 177.584 -0.116 0.000 1.181 546 A CA 1.415 53.403 52.037 -0.081 0.000 0.627 546 A CB -0.633 18.416 19.000 0.083 0.000 0.818 546 A HN 0.310 nan 8.150 nan 0.000 0.445 547 I N -1.088 119.385 120.570 -0.162 0.000 2.142 547 I HA -0.280 3.890 4.170 0.001 0.000 0.240 547 I C 2.791 178.923 176.117 0.025 0.000 1.078 547 I CA 1.892 63.126 61.300 -0.110 0.000 1.343 547 I CB -0.282 37.623 38.000 -0.159 0.000 1.046 547 I HN 0.375 nan 8.210 nan 0.000 0.405 548 Q N 0.142 119.991 119.800 0.082 0.000 2.119 548 Q HA -0.253 4.087 4.340 0.001 0.000 0.201 548 Q C 2.051 178.096 176.000 0.075 0.000 0.972 548 Q CA 1.743 57.671 55.803 0.207 0.000 0.847 548 Q CB -0.534 28.481 28.738 0.462 0.000 0.903 548 Q HN 0.568 nan 8.270 nan 0.000 0.433 549 Y N -0.695 119.463 120.300 -0.237 0.000 2.145 549 Y HA -0.270 4.281 4.550 0.001 0.000 0.286 549 Y C 1.401 176.926 175.900 -0.626 0.000 1.145 549 Y CA 1.909 59.561 58.100 -0.747 0.000 1.148 549 Y CB -0.369 37.379 38.460 -1.187 0.000 0.981 549 Y HN 0.175 nan 8.280 nan 0.000 0.507 550 Y N -0.163 119.933 120.300 -0.340 0.000 2.373 550 Y HA -0.151 4.400 4.550 0.000 0.000 0.293 550 Y C 2.302 178.055 175.900 -0.244 0.000 1.129 550 Y CA 1.062 58.957 58.100 -0.342 0.000 1.226 550 Y CB -0.554 37.755 38.460 -0.253 0.000 1.000 550 Y HN 0.178 nan 8.280 nan 0.000 0.549 551 L N -1.067 120.148 121.223 -0.012 0.000 2.027 551 L HA -0.219 4.121 4.340 0.001 0.000 0.206 551 L C 2.189 179.005 176.870 -0.090 0.000 1.074 551 L CA 1.128 55.982 54.840 0.023 0.000 0.745 551 L CB -0.611 41.510 42.059 0.103 0.000 0.898 551 L HN 0.232 nan 8.230 nan 0.000 0.433 552 L N -0.219 120.897 121.223 -0.178 0.000 2.046 552 L HA -0.264 4.076 4.340 0.001 0.000 0.208 552 L C 2.669 179.354 176.870 -0.308 0.000 1.077 552 L CA 1.396 56.084 54.840 -0.254 0.000 0.747 552 L CB -0.462 41.438 42.059 -0.264 0.000 0.896 552 L HN 0.249 nan 8.230 nan 0.000 0.432 553 K N 0.183 120.322 120.400 -0.435 0.000 2.026 553 K HA -0.193 4.128 4.320 0.001 0.000 0.208 553 K C 2.146 178.622 176.600 -0.208 0.000 1.048 553 K CA 1.409 57.455 56.287 -0.402 0.000 0.929 553 K CB -0.115 32.053 32.500 -0.553 0.000 0.713 553 K HN 0.270 nan 8.250 nan 0.000 0.439 554 A N 0.107 122.848 122.820 -0.132 0.000 1.902 554 A HA -0.152 4.168 4.320 0.001 0.000 0.217 554 A C 2.166 179.708 177.584 -0.069 0.000 1.181 554 A CA 2.115 54.117 52.037 -0.058 0.000 0.623 554 A CB -0.793 18.209 19.000 0.003 0.000 0.818 554 A HN 0.404 nan 8.150 nan 0.000 0.443 555 S N -0.563 115.078 115.700 -0.098 0.000 2.406 555 S HA -0.138 4.332 4.470 0.001 0.000 0.228 555 S C 1.969 176.481 174.600 -0.146 0.000 1.020 555 S CA 1.170 59.305 58.200 -0.109 0.000 0.965 555 S CB -0.629 62.499 63.200 -0.120 0.000 0.798 555 S HN 0.740 nan 8.310 nan 0.000 0.488 556 N N 0.265 118.862 118.700 -0.172 0.000 2.058 556 N HA -0.132 4.608 4.740 0.001 0.000 0.191 556 N C 1.513 176.925 175.510 -0.163 0.000 1.037 556 N CA 1.325 54.268 53.050 -0.179 0.000 0.848 556 N CB -0.095 38.278 38.487 -0.189 0.000 1.021 556 N HN 0.369 nan 8.380 nan 0.000 0.422 557 E N 1.001 121.114 120.200 -0.145 0.000 2.118 557 E HA -0.196 4.154 4.350 0.001 0.000 0.195 557 E C 2.047 178.594 176.600 -0.089 0.000 0.992 557 E CA 0.596 56.924 56.400 -0.120 0.000 0.804 557 E CB -0.449 29.205 29.700 -0.077 0.000 0.741 557 E HN 0.376 nan 8.360 nan 0.000 0.458 558 L N 0.913 122.092 121.223 -0.074 0.000 2.093 558 L HA -0.038 4.303 4.340 0.001 0.000 0.208 558 L C 2.210 179.027 176.870 -0.088 0.000 1.085 558 L CA 1.821 56.625 54.840 -0.061 0.000 0.755 558 L CB -0.636 41.395 42.059 -0.047 0.000 0.904 558 L HN 0.040 nan 8.230 nan 0.000 0.435 559 A N -0.792 121.959 122.820 -0.116 0.000 2.019 559 A HA -0.203 4.117 4.320 0.001 0.000 0.219 559 A C 2.291 179.821 177.584 -0.089 0.000 1.164 559 A CA 1.740 53.700 52.037 -0.129 0.000 0.644 559 A CB -0.434 18.446 19.000 -0.199 0.000 0.805 559 A HN 0.516 nan 8.150 nan 0.000 0.449 560 K N -0.658 119.690 120.400 -0.087 0.000 2.007 560 K HA -0.134 4.186 4.320 0.001 0.000 0.206 560 K C 2.133 178.702 176.600 -0.050 0.000 1.047 560 K CA 1.359 57.611 56.287 -0.060 0.000 0.937 560 K CB -0.187 32.225 32.500 -0.146 0.000 0.718 560 K HN 0.650 nan 8.250 nan 0.000 0.438 561 E N 0.910 121.072 120.200 -0.064 0.000 2.077 561 E HA -0.218 4.132 4.350 0.001 0.000 0.193 561 E C 1.511 178.065 176.600 -0.076 0.000 0.989 561 E CA 1.410 57.773 56.400 -0.062 0.000 0.800 561 E CB 0.287 29.952 29.700 -0.058 0.000 0.746 561 E HN 0.309 nan 8.360 nan 0.000 0.452 562 Q N -1.487 118.263 119.800 -0.084 0.000 2.157 562 Q HA 0.251 4.591 4.340 0.001 0.000 0.235 562 Q C -0.242 175.711 176.000 -0.079 0.000 0.803 562 Q CA 0.269 56.016 55.803 -0.094 0.000 0.967 562 Q CB 2.273 30.939 28.738 -0.120 0.000 1.150 562 Q HN 0.258 nan 8.270 nan 0.000 0.482 563 G N 1.409 110.164 108.800 -0.075 0.000 2.770 563 G HA2 0.087 4.048 3.960 0.001 0.000 0.686 563 G HA3 0.087 4.048 3.960 0.001 0.000 0.686 563 G C -0.535 174.306 174.900 -0.098 0.000 1.180 563 G CA -0.551 44.505 45.100 -0.073 0.000 0.767 563 G HN 0.281 nan 8.290 nan 0.000 0.646 564 A N 0.982 123.725 122.820 -0.128 0.000 2.386 564 A HA 0.652 4.973 4.320 0.001 0.000 0.246 564 A C 1.628 179.166 177.584 -0.077 0.000 1.089 564 A CA 0.548 52.470 52.037 -0.191 0.000 0.790 564 A CB -0.211 18.565 19.000 -0.373 0.000 1.042 564 A HN 2.558 nan 8.150 nan 0.000 0.497 565 C N -0.324 118.961 119.300 -0.025 0.000 2.644 565 C HA 0.429 4.889 4.460 0.001 0.000 0.417 565 C C -1.102 173.945 174.990 0.094 0.000 1.304 565 C CA -1.101 57.932 59.018 0.024 0.000 2.035 565 C CB -0.136 27.634 27.740 0.050 0.000 2.673 565 C HN 0.671 nan 8.230 nan 0.000 0.602 566 P HA -0.127 nan 4.420 nan 0.000 0.218 566 P C 0.531 178.049 177.300 0.364 0.000 1.152 566 P CA 1.928 65.083 63.100 0.091 0.000 0.857 566 P CB -0.061 31.573 31.700 -0.109 0.000 0.787 567 W N -2.414 118.958 121.300 0.121 0.000 2.937 567 W HA 0.359 5.019 4.660 0.000 0.000 0.435 567 W C 1.173 177.794 176.519 0.170 0.000 0.912 567 W CA -1.502 55.918 57.345 0.124 0.000 2.209 567 W CB -1.672 27.846 29.460 0.098 0.000 1.144 567 W HN -0.089 nan 8.180 nan 0.000 0.762 568 F N 3.166 123.256 119.950 0.234 0.000 2.202 568 F HA -0.289 4.238 4.527 0.000 0.000 0.301 568 F C 2.097 177.988 175.800 0.151 0.000 1.082 568 F CA 2.064 60.159 58.000 0.158 0.000 1.313 568 F CB -0.252 38.805 39.000 0.094 0.000 1.024 568 F HN -0.041 nan 8.300 nan 0.000 0.495 569 N N 0.524 119.280 118.700 0.094 0.000 2.519 569 N HA -0.199 4.541 4.740 0.001 0.000 0.186 569 N C 1.000 176.473 175.510 -0.061 0.000 1.062 569 N CA 1.318 54.352 53.050 -0.027 0.000 0.910 569 N CB -0.795 37.731 38.487 0.064 0.000 0.958 569 N HN 0.537 nan 8.380 nan 0.000 0.445 570 E N 0.476 120.678 120.200 0.002 0.000 2.489 570 E HA -0.004 4.346 4.350 0.001 0.000 0.193 570 E C 0.284 176.909 176.600 0.042 0.000 1.057 570 E CA 0.165 56.589 56.400 0.041 0.000 0.866 570 E CB 0.297 30.065 29.700 0.113 0.000 0.916 570 E HN 0.519 nan 8.360 nan 0.000 0.500 571 T N -1.641 112.839 114.554 -0.123 0.000 2.902 571 T HA 0.105 4.455 4.350 0.001 0.000 0.280 571 T C 1.510 176.077 174.700 -0.223 0.000 0.992 571 T CA -0.275 61.700 62.100 -0.209 0.000 1.015 571 T CB 1.618 70.294 68.868 -0.320 0.000 1.044 571 T HN -0.028 nan 8.240 nan 0.000 0.520 572 T N -1.331 113.082 114.554 -0.236 0.000 2.951 572 T HA -0.088 4.262 4.350 0.001 0.000 0.268 572 T C 1.472 176.041 174.700 -0.218 0.000 1.073 572 T CA 0.640 62.605 62.100 -0.226 0.000 1.134 572 T CB -0.874 67.831 68.868 -0.271 0.000 0.884 572 T HN 0.619 nan 8.240 nan 0.000 0.479 573 Y N 2.402 122.596 120.300 -0.177 0.000 2.151 573 Y HA 0.050 4.600 4.550 0.000 0.000 0.284 573 Y C 3.016 178.856 175.900 -0.099 0.000 1.166 573 Y CA 0.655 58.707 58.100 -0.080 0.000 1.163 573 Y CB -1.048 37.418 38.460 0.011 0.000 0.974 573 Y HN 0.340 nan 8.280 nan 0.000 0.511 574 A N -0.382 122.250 122.820 -0.314 0.000 2.125 574 A HA -0.157 4.163 4.320 0.001 0.000 0.219 574 A C 1.934 179.506 177.584 -0.019 0.000 1.156 574 A CA 1.409 53.280 52.037 -0.278 0.000 0.671 574 A CB -0.419 18.241 19.000 -0.568 0.000 0.794 574 A HN 0.399 nan 8.150 nan 0.000 0.459 575 K N -1.707 118.674 120.400 -0.033 0.000 2.373 575 K HA 0.260 4.581 4.320 0.001 0.000 0.202 575 K C 0.946 177.563 176.600 0.029 0.000 1.025 575 K CA 0.427 56.711 56.287 -0.005 0.000 1.115 575 K CB 0.191 32.669 32.500 -0.038 0.000 0.858 575 K HN 0.577 nan 8.250 nan 0.000 0.525 576 G N 1.917 110.762 108.800 0.075 0.000 2.162 576 G HA2 -0.268 3.693 3.960 0.001 0.000 0.260 576 G HA3 -0.268 3.693 3.960 0.001 0.000 0.260 576 G C 0.153 175.097 174.900 0.073 0.000 0.976 576 G CA -0.012 45.147 45.100 0.098 0.000 0.655 576 G HN 0.261 nan 8.290 nan 0.000 0.533 577 I N 0.974 121.550 120.570 0.012 0.000 2.395 577 I HA 0.515 4.685 4.170 0.001 0.000 0.289 577 I C 0.724 176.780 176.117 -0.102 0.000 1.023 577 I CA -0.544 60.728 61.300 -0.045 0.000 1.350 577 I CB 1.086 39.029 38.000 -0.095 0.000 1.409 577 I HN -0.016 nan 8.210 nan 0.000 0.507 578 L N 7.759 128.964 121.223 -0.030 0.000 2.333 578 L HA 0.442 4.782 4.340 0.001 0.000 0.269 578 L C -1.448 175.404 176.870 -0.030 0.000 1.010 578 L CA -1.612 53.243 54.840 0.026 0.000 0.818 578 L CB 2.053 44.245 42.059 0.223 0.000 1.306 578 L HN 0.351 nan 8.230 nan 0.000 0.430 579 P HA -0.180 nan 4.420 nan 0.000 0.218 579 P C 1.311 178.638 177.300 0.045 0.000 1.146 579 P CA 1.471 64.607 63.100 0.060 0.000 0.813 579 P CB -0.019 31.725 31.700 0.073 0.000 0.778 580 I N -3.474 117.026 120.570 -0.118 0.000 3.291 580 I HA -0.014 4.157 4.170 0.001 0.000 0.279 580 I C 0.965 177.096 176.117 0.023 0.000 1.294 580 I CA 1.094 62.309 61.300 -0.142 0.000 1.428 580 I CB -0.676 37.071 38.000 -0.422 0.000 1.070 580 I HN -0.237 nan 8.210 nan 0.000 0.478 581 D N 1.435 121.823 120.400 -0.021 0.000 2.327 581 D HA -0.043 4.598 4.640 0.001 0.000 0.205 581 D C 1.920 178.125 176.300 -0.157 0.000 0.989 581 D CA 1.621 55.575 54.000 -0.075 0.000 0.873 581 D CB 0.198 40.969 40.800 -0.050 0.000 0.955 581 D HN 0.549 nan 8.370 nan 0.000 0.515 582 T N -1.894 112.604 114.554 -0.093 0.000 3.044 582 T HA 0.092 4.442 4.350 0.001 0.000 0.260 582 T C 0.777 175.288 174.700 -0.315 0.000 1.019 582 T CA -0.679 61.361 62.100 -0.099 0.000 0.921 582 T CB -0.565 68.367 68.868 0.105 0.000 1.053 582 T HN 0.126 nan 8.240 nan 0.000 0.533 583 Y N 1.220 121.211 120.300 -0.514 0.000 2.281 583 Y HA 0.661 5.212 4.550 0.001 0.000 0.337 583 Y C 0.386 175.975 175.900 -0.517 0.000 1.304 583 Y CA -1.960 55.616 58.100 -0.874 0.000 1.465 583 Y CB 0.463 38.492 38.460 -0.718 0.000 1.350 583 Y HN -0.193 nan 8.280 nan 0.000 0.575 584 K N 1.924 122.139 120.400 -0.309 0.000 2.363 584 K HA 0.107 4.427 4.320 0.001 0.000 0.289 584 K C 0.419 176.973 176.600 -0.077 0.000 1.063 584 K CA 0.041 56.175 56.287 -0.255 0.000 0.967 584 K CB 0.656 32.972 32.500 -0.307 0.000 0.987 584 K HN 0.707 nan 8.250 nan 0.000 0.473 585 K N 2.482 122.756 120.400 -0.211 0.000 2.160 585 K HA -0.185 4.135 4.320 0.001 0.000 0.206 585 K C 0.512 177.148 176.600 0.059 0.000 1.047 585 K CA 2.014 58.224 56.287 -0.129 0.000 0.930 585 K CB -0.089 32.315 32.500 -0.160 0.000 0.720 585 K HN 0.715 nan 8.250 nan 0.000 0.450 586 D N 0.035 120.468 120.400 0.054 0.000 2.228 586 D HA -0.159 4.481 4.640 0.001 0.000 0.203 586 D C 1.331 177.760 176.300 0.215 0.000 0.988 586 D CA 0.807 54.881 54.000 0.123 0.000 0.864 586 D CB -0.049 40.807 40.800 0.094 0.000 0.928 586 D HN 0.128 nan 8.370 nan 0.000 0.469 587 L N 0.586 121.928 121.223 0.198 0.000 2.187 587 L HA -0.190 4.151 4.340 0.001 0.000 0.213 587 L C 1.642 178.544 176.870 0.054 0.000 1.100 587 L CA 0.822 55.716 54.840 0.091 0.000 0.765 587 L CB -0.379 41.667 42.059 -0.022 0.000 0.904 587 L HN 0.056 nan 8.230 nan 0.000 0.437 588 D N -0.393 120.076 120.400 0.114 0.000 2.182 588 D HA -0.179 4.461 4.640 0.001 0.000 0.201 588 D C 2.242 178.562 176.300 0.033 0.000 0.986 588 D CA 1.978 56.017 54.000 0.065 0.000 0.847 588 D CB -0.179 40.673 40.800 0.086 0.000 0.942 588 D HN 0.417 nan 8.370 nan 0.000 0.467 589 T N -1.347 113.246 114.554 0.065 0.000 3.085 589 T HA -0.015 4.335 4.350 0.001 0.000 0.263 589 T C 1.841 176.567 174.700 0.043 0.000 1.127 589 T CA 0.352 62.490 62.100 0.062 0.000 1.103 589 T CB -0.362 68.566 68.868 0.099 0.000 0.921 589 T HN 0.406 nan 8.240 nan 0.000 0.510 590 I N -2.308 118.266 120.570 0.006 0.000 4.154 590 I HA 0.764 4.934 4.170 0.001 0.000 0.334 590 I C 0.416 176.486 176.117 -0.078 0.000 1.371 590 I CA -1.057 60.209 61.300 -0.058 0.000 1.110 590 I CB 0.420 38.303 38.000 -0.195 0.000 1.085 590 I HN 0.244 nan 8.210 nan 0.000 0.398 591 A N 2.447 125.222 122.820 -0.074 0.000 2.574 591 A HA 0.634 4.955 4.320 0.001 0.000 0.297 591 A C -0.602 176.897 177.584 -0.142 0.000 1.062 591 A CA -0.468 51.506 52.037 -0.104 0.000 0.686 591 A CB 1.045 19.985 19.000 -0.100 0.000 1.285 591 A HN 0.303 nan 8.150 nan 0.000 0.403 592 N N 0.504 119.103 118.700 -0.168 0.000 2.184 592 N HA 0.090 4.831 4.740 0.001 0.000 0.234 592 N C -0.312 175.068 175.510 -0.217 0.000 1.282 592 N CA -0.113 52.838 53.050 -0.164 0.000 0.877 592 N CB 0.400 38.830 38.487 -0.093 0.000 1.184 592 N HN 0.671 nan 8.380 nan 0.000 0.510 593 E N 3.170 123.174 120.200 -0.327 0.000 2.417 593 E HA 0.191 4.541 4.350 0.001 0.000 0.261 593 E C -2.104 174.278 176.600 -0.363 0.000 1.000 593 E CA -1.272 54.948 56.400 -0.301 0.000 0.919 593 E CB 0.764 30.310 29.700 -0.256 0.000 0.955 593 E HN 0.238 nan 8.360 nan 0.000 0.455 594 P HA 0.096 nan 4.420 nan 0.000 0.276 594 P C -0.611 176.465 177.300 -0.373 0.000 1.244 594 P CA -0.300 62.627 63.100 -0.287 0.000 0.801 594 P CB 0.633 32.169 31.700 -0.273 0.000 1.006 595 L N 2.760 123.889 121.223 -0.157 0.000 2.453 595 L HA 0.076 4.417 4.340 0.001 0.000 0.272 595 L C 1.736 178.481 176.870 -0.207 0.000 1.182 595 L CA -0.045 54.781 54.840 -0.023 0.000 0.858 595 L CB -0.198 41.923 42.059 0.103 0.000 1.120 595 L HN 0.470 nan 8.230 nan 0.000 0.474 596 H N 2.191 121.258 119.070 -0.005 0.000 2.586 596 H HA 0.182 4.739 4.556 0.001 0.000 0.273 596 H C -0.583 174.405 175.328 -0.566 0.000 0.997 596 H CA 0.160 56.029 56.048 -0.300 0.000 1.177 596 H CB 0.337 29.831 29.762 -0.446 0.000 1.471 596 H HN 0.414 nan 8.280 nan 0.000 0.538 597 Y N 0.264 120.554 120.300 -0.016 0.000 2.549 597 Y HA 0.187 4.737 4.550 0.001 0.000 0.339 597 Y C 0.415 176.213 175.900 -0.171 0.000 1.053 597 Y CA -1.363 56.499 58.100 -0.396 0.000 1.105 597 Y CB 1.202 38.913 38.460 -1.248 0.000 1.258 597 Y HN -0.135 nan 8.280 nan 0.000 0.478 598 D N 1.155 121.512 120.400 -0.071 0.000 2.483 598 D HA 0.048 4.688 4.640 0.001 0.000 0.220 598 D C -0.153 176.249 176.300 0.170 0.000 1.173 598 D CA -0.038 54.019 54.000 0.095 0.000 0.964 598 D CB -0.036 40.817 40.800 0.089 0.000 1.046 598 D HN 0.495 nan 8.370 nan 0.000 0.517 599 W N 1.596 123.002 121.300 0.177 0.000 2.584 599 W HA -0.001 4.660 4.660 0.000 0.000 0.264 599 W C 1.942 178.562 176.519 0.169 0.000 1.264 599 W CA -0.089 57.390 57.345 0.223 0.000 1.306 599 W CB 0.298 29.881 29.460 0.205 0.000 1.110 599 W HN 0.320 nan 8.180 nan 0.000 0.606 600 E N 0.167 120.558 120.200 0.317 0.000 2.107 600 E HA -0.105 4.246 4.350 0.001 0.000 0.191 600 E C 2.268 178.968 176.600 0.166 0.000 0.982 600 E CA 1.371 57.898 56.400 0.212 0.000 0.809 600 E CB -1.040 28.754 29.700 0.158 0.000 0.756 600 E HN 0.223 nan 8.360 nan 0.000 0.459 601 A N 1.400 124.309 122.820 0.149 0.000 1.902 601 A HA -0.155 4.165 4.320 0.001 0.000 0.217 601 A C 2.259 179.905 177.584 0.104 0.000 1.181 601 A CA 1.326 53.430 52.037 0.113 0.000 0.623 601 A CB -0.597 18.462 19.000 0.099 0.000 0.818 601 A HN 0.240 nan 8.150 nan 0.000 0.443 602 L N -0.245 121.046 121.223 0.112 0.000 2.056 602 L HA -0.082 4.258 4.340 0.001 0.000 0.207 602 L C 2.420 179.365 176.870 0.124 0.000 1.078 602 L CA 2.222 57.094 54.840 0.053 0.000 0.749 602 L CB -0.620 41.409 42.059 -0.050 0.000 0.901 602 L HN 0.470 nan 8.230 nan 0.000 0.433 603 R N -0.592 120.027 120.500 0.200 0.000 2.097 603 R HA -0.212 4.128 4.340 0.001 0.000 0.236 603 R C 2.120 178.519 176.300 0.166 0.000 1.135 603 R CA 1.941 58.167 56.100 0.211 0.000 0.934 603 R CB -0.186 30.238 30.300 0.207 0.000 0.846 603 R HN 0.362 nan 8.270 nan 0.000 0.431 604 E N 0.109 120.391 120.200 0.137 0.000 2.051 604 E HA -0.151 4.200 4.350 0.001 0.000 0.192 604 E C 1.971 178.646 176.600 0.126 0.000 0.991 604 E CA 1.317 57.787 56.400 0.116 0.000 0.799 604 E CB -0.611 29.148 29.700 0.098 0.000 0.748 604 E HN 0.231 nan 8.360 nan 0.000 0.449 605 S N -0.024 115.754 115.700 0.129 0.000 2.399 605 S HA -0.083 4.387 4.470 0.001 0.000 0.231 605 S C 1.991 176.700 174.600 0.182 0.000 1.022 605 S CA 0.657 58.960 58.200 0.171 0.000 0.983 605 S CB -0.152 63.090 63.200 0.070 0.000 0.803 605 S HN 0.169 nan 8.310 nan 0.000 0.480 606 I N 0.583 121.234 120.570 0.135 0.000 2.286 606 I HA -0.094 4.076 4.170 0.001 0.000 0.245 606 I C 2.586 178.830 176.117 0.211 0.000 1.104 606 I CA 1.022 62.410 61.300 0.146 0.000 1.397 606 I CB -0.210 37.913 38.000 0.204 0.000 1.072 606 I HN 0.215 nan 8.210 nan 0.000 0.417 607 K N 0.129 120.654 120.400 0.207 0.000 2.147 607 K HA -0.145 4.176 4.320 0.001 0.000 0.205 607 K C 1.992 178.659 176.600 0.112 0.000 1.049 607 K CA 1.614 58.020 56.287 0.199 0.000 0.936 607 K CB 0.042 32.627 32.500 0.142 0.000 0.722 607 K HN 0.298 nan 8.250 nan 0.000 0.446 608 T N -0.687 113.882 114.554 0.025 0.000 2.735 608 T HA -0.062 4.288 4.350 0.001 0.000 0.256 608 T C 1.240 175.774 174.700 -0.277 0.000 1.042 608 T CA 1.329 63.327 62.100 -0.169 0.000 1.147 608 T CB -0.195 68.475 68.868 -0.331 0.000 0.865 608 T HN 0.370 nan 8.240 nan 0.000 0.421 609 H N 0.032 119.069 119.070 -0.054 0.000 2.595 609 H HA 0.485 5.041 4.556 0.001 0.000 0.265 609 H C 1.364 176.536 175.328 -0.260 0.000 0.953 609 H CA 0.257 56.235 56.048 -0.118 0.000 1.197 609 H CB -0.027 29.672 29.762 -0.105 0.000 1.438 609 H HN 0.564 nan 8.280 nan 0.000 0.531 610 G N 0.260 108.896 108.800 -0.273 0.000 2.725 610 G HA2 -0.225 3.735 3.960 0.001 0.000 0.220 610 G HA3 -0.225 3.735 3.960 0.001 0.000 0.220 610 G C -0.910 173.519 174.900 -0.786 0.000 1.357 610 G CA -0.435 44.060 45.100 -1.009 0.000 0.866 610 G HN 0.203 nan 8.290 nan 0.000 0.548 611 L N -0.669 119.907 121.223 -1.079 0.000 2.354 611 L HA 0.643 4.984 4.340 0.001 0.000 0.269 611 L C 1.444 178.131 176.870 -0.306 0.000 1.005 611 L CA -0.917 53.664 54.840 -0.431 0.000 0.819 611 L CB 2.022 43.957 42.059 -0.208 0.000 1.311 611 L HN 0.733 nan 8.230 nan 0.000 0.423 612 R N 1.348 121.738 120.500 -0.183 0.000 2.148 612 R HA 0.021 4.361 4.340 0.001 0.000 0.223 612 R C -0.345 175.923 176.300 -0.054 0.000 1.088 612 R CA 1.090 57.122 56.100 -0.114 0.000 0.985 612 R CB -0.001 30.242 30.300 -0.095 0.000 0.880 612 R HN 0.680 nan 8.270 nan 0.000 0.451 613 N N -1.160 117.516 118.700 -0.039 0.000 2.346 613 N HA 0.194 4.934 4.740 0.001 0.000 0.289 613 N C -0.455 175.079 175.510 0.041 0.000 1.027 613 N CA -0.375 52.678 53.050 0.006 0.000 0.864 613 N CB 2.273 40.752 38.487 -0.012 0.000 1.370 613 N HN -0.166 nan 8.380 nan 0.000 0.481 614 S N -0.086 115.678 115.700 0.107 0.000 2.399 614 S HA -0.078 4.392 4.470 0.001 0.000 0.231 614 S C 0.940 175.534 174.600 -0.009 0.000 1.022 614 S CA 1.177 59.436 58.200 0.099 0.000 0.983 614 S CB -0.160 63.176 63.200 0.227 0.000 0.803 614 S HN 0.835 nan 8.310 nan 0.000 0.480 615 T N -2.002 112.585 114.554 0.055 0.000 2.906 615 T HA 0.740 5.090 4.350 0.001 0.000 0.295 615 T C 0.218 174.946 174.700 0.046 0.000 1.075 615 T CA -0.820 61.314 62.100 0.057 0.000 1.005 615 T CB 1.743 70.684 68.868 0.123 0.000 1.136 615 T HN -0.026 nan 8.240 nan 0.000 0.498 616 L N 0.718 121.973 121.223 0.052 0.000 2.815 616 L HA 0.345 4.685 4.340 0.001 0.000 0.241 616 L C 0.799 177.705 176.870 0.060 0.000 1.047 616 L CA -0.114 54.751 54.840 0.042 0.000 0.939 616 L CB 0.581 42.656 42.059 0.026 0.000 1.490 616 L HN 0.885 nan 8.230 nan 0.000 0.510 617 S N 0.106 115.859 115.700 0.089 0.000 2.501 617 S HA 0.890 5.361 4.470 0.001 0.000 0.301 617 S C -0.470 174.180 174.600 0.083 0.000 1.096 617 S CA -0.349 57.912 58.200 0.101 0.000 1.063 617 S CB 2.445 65.741 63.200 0.160 0.000 1.042 617 S HN 0.144 nan 8.310 nan 0.000 0.494 618 A N 2.599 125.460 122.820 0.068 0.000 2.540 618 A HA 0.623 4.943 4.320 0.001 0.000 0.297 618 A C -1.125 176.489 177.584 0.050 0.000 1.056 618 A CA -0.835 51.234 52.037 0.052 0.000 0.700 618 A CB 0.979 20.001 19.000 0.036 0.000 1.280 618 A HN 0.872 nan 8.150 nan 0.000 0.398 619 L N 4.374 125.622 121.223 0.041 0.000 2.288 619 L HA 0.380 4.720 4.340 0.001 0.000 0.283 619 L C 0.413 177.296 176.870 0.021 0.000 1.072 619 L CA -0.473 54.391 54.840 0.041 0.000 0.862 619 L CB 0.695 42.768 42.059 0.023 0.000 1.245 619 L HN 0.818 nan 8.230 nan 0.000 0.432 620 M N 3.773 123.389 119.600 0.027 0.000 2.359 620 M HA 0.631 5.111 4.480 0.001 0.000 0.322 620 M C -2.680 173.638 176.300 0.030 0.000 1.166 620 M CA -2.139 53.170 55.300 0.016 0.000 1.067 620 M CB 0.388 32.999 32.600 0.018 0.000 1.523 620 M HN 0.056 nan 8.290 nan 0.000 0.467 621 P HA 0.274 nan 4.420 nan 0.000 0.275 621 P C -1.032 176.306 177.300 0.063 0.000 1.228 621 P CA -0.178 62.946 63.100 0.040 0.000 0.786 621 P CB 0.629 32.337 31.700 0.012 0.000 0.927 622 S N -0.205 115.547 115.700 0.085 0.000 2.548 622 S HA 0.592 5.063 4.470 0.001 0.000 0.286 622 S C 0.190 174.847 174.600 0.096 0.000 1.098 622 S CA -0.377 57.879 58.200 0.093 0.000 0.930 622 S CB 2.816 66.077 63.200 0.101 0.000 1.070 622 S HN 0.512 nan 8.310 nan 0.000 0.480 623 E N 1.601 121.856 120.200 0.092 0.000 3.823 623 E HA 0.149 4.499 4.350 0.001 0.000 0.225 623 E C 1.408 178.047 176.600 0.065 0.000 1.257 623 E CA 0.757 57.205 56.400 0.079 0.000 1.684 623 E CB -0.492 29.257 29.700 0.081 0.000 1.550 623 E HN 0.573 nan 8.360 nan 0.000 0.709 624 T N 0.593 115.190 114.554 0.073 0.000 2.643 624 T HA -0.132 4.218 4.350 0.001 0.000 0.264 624 T C 1.846 176.598 174.700 0.087 0.000 1.045 624 T CA 2.117 64.253 62.100 0.060 0.000 1.155 624 T CB -0.553 68.373 68.868 0.097 0.000 0.863 624 T HN 0.208 nan 8.240 nan 0.000 0.420 625 S N 2.348 118.138 115.700 0.150 0.000 2.370 625 S HA -0.134 4.336 4.470 0.001 0.000 0.226 625 S C 2.413 177.095 174.600 0.138 0.000 1.033 625 S CA 1.463 59.777 58.200 0.189 0.000 1.011 625 S CB -0.626 62.679 63.200 0.175 0.000 0.852 625 S HN 0.678 nan 8.310 nan 0.000 0.457 626 S N 1.756 117.519 115.700 0.105 0.000 2.507 626 S HA -0.054 4.416 4.470 0.001 0.000 0.235 626 S C 1.700 176.329 174.600 0.047 0.000 0.988 626 S CA 0.495 58.747 58.200 0.088 0.000 0.944 626 S CB -0.365 62.895 63.200 0.100 0.000 0.762 626 S HN 0.508 nan 8.310 nan 0.000 0.526 627 Q N 0.507 120.326 119.800 0.031 0.000 2.123 627 Q HA 0.079 4.419 4.340 0.001 0.000 0.199 627 Q C 1.952 177.935 176.000 -0.028 0.000 0.966 627 Q CA 0.894 56.690 55.803 -0.012 0.000 0.845 627 Q CB -0.225 28.490 28.738 -0.039 0.000 0.907 627 Q HN 0.511 nan 8.270 nan 0.000 0.439 628 I N 0.463 121.039 120.570 0.011 0.000 2.335 628 I HA -0.197 3.974 4.170 0.001 0.000 0.251 628 I C 1.557 177.597 176.117 -0.129 0.000 1.129 628 I CA 1.310 62.645 61.300 0.058 0.000 1.402 628 I CB -0.706 37.440 38.000 0.243 0.000 1.069 628 I HN 0.052 nan 8.210 nan 0.000 0.424 629 S N 0.033 115.606 115.700 -0.212 0.000 2.556 629 S HA 0.036 4.506 4.470 0.001 0.000 0.216 629 S C 0.773 175.205 174.600 -0.280 0.000 0.970 629 S CA -0.251 57.648 58.200 -0.502 0.000 0.912 629 S CB -0.452 62.646 63.200 -0.170 0.000 0.790 629 S HN 0.513 nan 8.310 nan 0.000 0.504 630 N N 1.342 119.957 118.700 -0.140 0.000 2.688 630 N HA -0.224 4.517 4.740 0.001 0.000 0.258 630 N C -0.384 175.106 175.510 -0.033 0.000 1.016 630 N CA 0.279 53.291 53.050 -0.064 0.000 0.747 630 N CB -0.845 37.620 38.487 -0.037 0.000 0.895 630 N HN 0.514 nan 8.380 nan 0.000 0.543 631 A N 0.819 123.645 122.820 0.010 0.000 2.337 631 A HA 0.638 4.958 4.320 0.001 0.000 0.331 631 A C 0.609 178.261 177.584 0.113 0.000 1.137 631 A CA 0.023 52.107 52.037 0.079 0.000 0.807 631 A CB 1.109 20.180 19.000 0.119 0.000 1.250 631 A HN 0.481 nan 8.150 nan 0.000 0.468 632 T N -0.138 114.528 114.554 0.185 0.000 2.900 632 T HA 0.213 4.563 4.350 0.001 0.000 0.307 632 T C 0.059 174.879 174.700 0.201 0.000 1.065 632 T CA -0.218 62.005 62.100 0.205 0.000 1.105 632 T CB -0.329 68.724 68.868 0.309 0.000 0.979 632 T HN 0.571 nan 8.240 nan 0.000 0.544 633 N N 1.668 120.471 118.700 0.171 0.000 2.452 633 N HA 0.436 5.176 4.740 0.001 0.000 0.266 633 N C 1.497 177.125 175.510 0.197 0.000 1.175 633 N CA 0.462 53.606 53.050 0.157 0.000 0.945 633 N CB 0.425 38.985 38.487 0.122 0.000 1.063 633 N HN 1.028 nan 8.380 nan 0.000 0.472 634 G N 2.902 111.813 108.800 0.185 0.000 2.700 634 G HA2 -0.385 3.575 3.960 0.001 0.000 0.350 634 G HA3 -0.385 3.575 3.960 0.001 0.000 0.350 634 G C 0.826 175.894 174.900 0.281 0.000 1.250 634 G CA 1.299 46.515 45.100 0.193 0.000 0.978 634 G HN 0.760 nan 8.290 nan 0.000 0.551 635 I N -1.480 119.256 120.570 0.276 0.000 3.956 635 I HA 0.454 4.624 4.170 0.001 0.000 0.333 635 I C 0.212 176.679 176.117 0.583 0.000 1.302 635 I CA -0.046 61.505 61.300 0.419 0.000 1.122 635 I CB 0.298 38.373 38.000 0.125 0.000 1.013 635 I HN 0.055 nan 8.210 nan 0.000 0.405 636 E N 3.621 124.045 120.200 0.372 0.000 2.373 636 E HA 0.283 4.633 4.350 0.001 0.000 0.267 636 E C -2.272 174.424 176.600 0.159 0.000 1.032 636 E CA -2.342 54.193 56.400 0.225 0.000 0.889 636 E CB 0.010 29.770 29.700 0.100 0.000 0.984 636 E HN 0.127 nan 8.360 nan 0.000 0.425 637 P HA 0.177 nan 4.420 nan 0.000 0.275 637 P C -2.404 174.832 177.300 -0.107 0.000 1.227 637 P CA -1.333 61.670 63.100 -0.162 0.000 0.781 637 P CB -0.090 31.293 31.700 -0.528 0.000 0.906 638 P HA 0.165 nan 4.420 nan 0.000 0.271 638 P C 0.653 177.848 177.300 -0.175 0.000 1.218 638 P CA -0.026 63.024 63.100 -0.083 0.000 0.780 638 P CB 1.100 32.745 31.700 -0.091 0.000 0.901 639 R N 1.185 121.593 120.500 -0.154 0.000 2.075 639 R HA 0.096 4.436 4.340 0.001 0.000 0.232 639 R C 1.373 177.602 176.300 -0.117 0.000 1.126 639 R CA 1.390 57.401 56.100 -0.149 0.000 0.963 639 R CB -0.295 29.989 30.300 -0.027 0.000 0.858 639 R HN 0.632 nan 8.270 nan 0.000 0.435 640 G N -2.133 106.582 108.800 -0.142 0.000 2.866 640 G HA2 0.299 4.259 3.960 0.001 0.000 0.289 640 G HA3 0.299 4.259 3.960 0.001 0.000 0.289 640 G C -0.697 174.046 174.900 -0.262 0.000 1.396 640 G CA -0.653 44.321 45.100 -0.210 0.000 0.848 640 G HN -0.005 nan 8.290 nan 0.000 0.515 641 Y N -1.001 119.278 120.300 -0.035 0.000 2.475 641 Y HA 0.288 4.838 4.550 0.001 0.000 0.289 641 Y C 1.112 176.934 175.900 -0.130 0.000 1.121 641 Y CA 0.065 58.116 58.100 -0.082 0.000 1.257 641 Y CB 0.338 38.788 38.460 -0.017 0.000 1.026 641 Y HN 0.082 nan 8.280 nan 0.000 0.555 642 V N -0.498 119.433 119.914 0.029 0.000 2.531 642 V HA 0.377 4.497 4.120 0.001 0.000 0.301 642 V C -0.154 175.932 176.094 -0.012 0.000 1.034 642 V CA -1.086 61.203 62.300 -0.017 0.000 0.865 642 V CB 1.787 33.587 31.823 -0.039 0.000 0.995 642 V HN -0.101 nan 8.190 nan 0.000 0.424 643 S N 4.303 119.994 115.700 -0.014 0.000 2.565 643 S HA 0.788 5.259 4.470 0.001 0.000 0.290 643 S C -0.507 174.092 174.600 -0.001 0.000 1.150 643 S CA -0.369 57.827 58.200 -0.005 0.000 1.058 643 S CB 1.089 64.286 63.200 -0.005 0.000 1.032 643 S HN 0.543 nan 8.310 nan 0.000 0.510 644 I N 2.832 123.405 120.570 0.005 0.000 2.498 644 I HA 0.432 4.602 4.170 0.001 0.000 0.290 644 I C -0.869 175.252 176.117 0.008 0.000 1.032 644 I CA -0.613 60.691 61.300 0.007 0.000 1.073 644 I CB 1.946 39.950 38.000 0.007 0.000 1.251 644 I HN 0.358 nan 8.210 nan 0.000 0.426 645 K N 4.551 124.955 120.400 0.006 0.000 2.324 645 K HA 0.770 5.090 4.320 0.001 0.000 0.253 645 K C -0.617 175.987 176.600 0.007 0.000 0.932 645 K CA -0.439 55.850 56.287 0.003 0.000 0.799 645 K CB 2.120 34.615 32.500 -0.009 0.000 1.154 645 K HN 0.605 nan 8.250 nan 0.000 0.425 646 A N 1.682 124.506 122.820 0.007 0.000 2.388 646 A HA 0.610 4.930 4.320 0.001 0.000 0.257 646 A C -0.338 177.249 177.584 0.005 0.000 1.095 646 A CA -0.052 51.990 52.037 0.008 0.000 0.791 646 A CB 0.087 19.092 19.000 0.008 0.000 1.029 646 A HN 0.761 nan 8.150 nan 0.000 0.489 647 S N 1.155 116.860 115.700 0.008 0.000 2.587 647 S HA 0.462 4.932 4.470 0.001 0.000 0.269 647 S C 0.689 175.295 174.600 0.011 0.000 1.154 647 S CA -0.317 57.886 58.200 0.004 0.000 0.824 647 S CB 1.197 64.394 63.200 -0.005 0.000 1.118 647 S HN 0.892 nan 8.310 nan 0.000 0.462 648 K N 1.114 121.520 120.400 0.009 0.000 2.107 648 K HA -0.208 4.113 4.320 0.001 0.000 0.211 648 K C 0.237 176.850 176.600 0.022 0.000 1.049 648 K CA 2.244 58.539 56.287 0.014 0.000 0.927 648 K CB -1.361 31.146 32.500 0.011 0.000 0.714 648 K HN 0.740 nan 8.250 nan 0.000 0.452 649 D N 1.261 121.678 120.400 0.029 0.000 2.336 649 D HA 0.231 4.872 4.640 0.001 0.000 0.228 649 D C 0.707 177.044 176.300 0.062 0.000 1.120 649 D CA 0.855 54.884 54.000 0.048 0.000 0.839 649 D CB 0.233 41.069 40.800 0.061 0.000 0.932 649 D HN 0.534 nan 8.370 nan 0.000 0.509 650 G N 1.025 109.852 108.800 0.045 0.000 2.541 650 G HA2 -0.174 3.787 3.960 0.001 0.000 0.686 650 G HA3 -0.174 3.787 3.960 0.001 0.000 0.686 650 G C -0.482 174.448 174.900 0.051 0.000 1.286 650 G CA -1.070 44.056 45.100 0.044 0.000 0.894 650 G HN 0.165 nan 8.290 nan 0.000 0.575 651 I N 0.873 121.466 120.570 0.038 0.000 2.664 651 I HA 0.149 4.319 4.170 0.001 0.000 0.284 651 I C 0.915 177.074 176.117 0.070 0.000 1.154 651 I CA 0.126 61.447 61.300 0.035 0.000 1.402 651 I CB 0.112 38.120 38.000 0.013 0.000 1.395 651 I HN 0.289 nan 8.210 nan 0.000 0.545 652 L N 7.898 129.161 121.223 0.068 0.000 2.260 652 L HA 0.452 4.793 4.340 0.001 0.000 0.289 652 L C 0.304 177.210 176.870 0.059 0.000 1.057 652 L CA -0.363 54.534 54.840 0.096 0.000 0.811 652 L CB 0.231 42.302 42.059 0.020 0.000 1.184 652 L HN 0.593 nan 8.230 nan 0.000 0.429 653 R N 3.014 123.561 120.500 0.078 0.000 2.532 653 R HA 0.488 4.828 4.340 0.001 0.000 0.295 653 R C -0.778 175.535 176.300 0.022 0.000 0.968 653 R CA -0.650 55.468 56.100 0.029 0.000 0.916 653 R CB 2.346 32.647 30.300 0.002 0.000 1.124 653 R HN 0.548 nan 8.270 nan 0.000 0.463 654 Q N 2.337 122.132 119.800 -0.007 0.000 2.275 654 Q HA 0.295 4.635 4.340 0.001 0.000 0.266 654 Q C -1.352 174.628 176.000 -0.034 0.000 1.002 654 Q CA -0.595 55.193 55.803 -0.026 0.000 0.761 654 Q CB 2.213 30.935 28.738 -0.027 0.000 1.255 654 Q HN 0.369 nan 8.270 nan 0.000 0.446 655 V N 3.761 123.649 119.914 -0.045 0.000 2.546 655 V HA 0.255 4.375 4.120 0.001 0.000 0.284 655 V C 0.556 176.647 176.094 -0.005 0.000 1.050 655 V CA -0.735 61.537 62.300 -0.046 0.000 0.981 655 V CB 1.093 32.870 31.823 -0.076 0.000 0.990 655 V HN 0.660 nan 8.190 nan 0.000 0.474 656 V N 3.491 123.413 119.914 0.012 0.000 2.901 656 V HA 0.217 4.337 4.120 0.001 0.000 0.307 656 V C -1.924 174.218 176.094 0.079 0.000 1.084 656 V CA -1.391 60.914 62.300 0.008 0.000 1.184 656 V CB -0.338 31.389 31.823 -0.159 0.000 0.941 656 V HN 0.796 nan 8.190 nan 0.000 0.493 657 P HA 0.061 nan 4.420 nan 0.000 0.264 657 P C 0.107 177.432 177.300 0.043 0.000 1.193 657 P CA 0.670 63.700 63.100 -0.118 0.000 0.763 657 P CB 0.225 31.561 31.700 -0.607 0.000 0.810 658 D N 1.625 122.117 120.400 0.154 0.000 2.751 658 D HA -0.279 4.361 4.640 0.001 0.000 0.233 658 D C 0.469 177.000 176.300 0.385 0.000 1.149 658 D CA 0.651 54.829 54.000 0.296 0.000 0.682 658 D CB -1.717 39.284 40.800 0.335 0.000 1.068 658 D HN 0.511 nan 8.370 nan 0.000 0.429 659 Y N 0.442 120.885 120.300 0.238 0.000 2.151 659 Y HA -0.268 4.282 4.550 0.001 0.000 0.284 659 Y C 2.182 178.192 175.900 0.183 0.000 1.166 659 Y CA 2.708 60.933 58.100 0.209 0.000 1.163 659 Y CB -0.173 38.321 38.460 0.056 0.000 0.974 659 Y HN 0.388 nan 8.280 nan 0.000 0.511 660 E N -0.883 119.427 120.200 0.184 0.000 2.070 660 E HA -0.300 4.051 4.350 0.001 0.000 0.197 660 E C 1.809 178.341 176.600 -0.113 0.000 1.004 660 E CA 1.920 58.309 56.400 -0.018 0.000 0.805 660 E CB -0.440 29.237 29.700 -0.038 0.000 0.744 660 E HN 0.699 nan 8.360 nan 0.000 0.451 661 H N -0.928 118.193 119.070 0.084 0.000 2.525 661 H HA 0.105 4.661 4.556 0.001 0.000 0.275 661 H C 1.490 176.807 175.328 -0.018 0.000 0.984 661 H CA 0.738 56.809 56.048 0.039 0.000 1.264 661 H CB 0.561 30.346 29.762 0.039 0.000 1.432 661 H HN 0.232 nan 8.280 nan 0.000 0.549 662 L N 1.254 122.551 121.223 0.123 0.000 3.016 662 L HA 0.060 4.400 4.340 0.001 0.000 0.267 662 L C 2.171 179.083 176.870 0.070 0.000 1.182 662 L CA -0.111 54.760 54.840 0.051 0.000 0.997 662 L CB -0.009 42.100 42.059 0.083 0.000 1.354 662 L HN 0.291 nan 8.230 nan 0.000 0.569 663 H N -0.345 118.635 119.070 -0.150 0.000 2.390 663 H HA -0.187 4.369 4.556 0.001 0.000 0.298 663 H C 0.578 175.928 175.328 0.037 0.000 1.106 663 H CA 1.747 57.609 56.048 -0.310 0.000 1.297 663 H CB -0.185 28.886 29.762 -1.151 0.000 1.375 663 H HN 0.343 nan 8.280 nan 0.000 0.509 664 D N 1.025 121.155 120.400 -0.449 0.000 2.289 664 D HA 0.124 4.764 4.640 0.001 0.000 0.207 664 D C 2.281 178.566 176.300 -0.025 0.000 0.966 664 D CA 0.976 54.868 54.000 -0.180 0.000 0.868 664 D CB -0.050 40.575 40.800 -0.291 0.000 0.943 664 D HN 0.557 nan 8.370 nan 0.000 0.514 665 A N 0.337 123.130 122.820 -0.046 0.000 1.929 665 A HA -0.093 4.227 4.320 0.001 0.000 0.216 665 A C 0.646 178.233 177.584 0.006 0.000 1.176 665 A CA 0.393 52.393 52.037 -0.061 0.000 0.628 665 A CB -0.675 18.233 19.000 -0.154 0.000 0.816 665 A HN 0.097 nan 8.150 nan 0.000 0.444 666 Y N 0.455 120.838 120.300 0.138 0.000 2.683 666 Y HA 0.185 4.735 4.550 0.001 0.000 0.340 666 Y C 0.773 176.772 175.900 0.164 0.000 1.245 666 Y CA 0.815 59.034 58.100 0.198 0.000 1.485 666 Y CB 0.320 38.974 38.460 0.323 0.000 1.328 666 Y HN 0.424 nan 8.280 nan 0.000 0.603 667 E N 4.101 124.505 120.200 0.341 0.000 2.141 667 E HA 0.354 4.704 4.350 0.001 0.000 0.259 667 E C -1.387 175.297 176.600 0.141 0.000 0.883 667 E CA -0.478 56.059 56.400 0.228 0.000 0.744 667 E CB 0.413 30.250 29.700 0.228 0.000 1.150 667 E HN 0.586 nan 8.360 nan 0.000 0.420 668 L N 4.836 126.080 121.223 0.035 0.000 2.452 668 L HA 0.058 4.398 4.340 0.001 0.000 0.267 668 L C 1.656 178.430 176.870 -0.161 0.000 1.188 668 L CA -0.422 54.355 54.840 -0.106 0.000 0.821 668 L CB 0.379 42.319 42.059 -0.198 0.000 1.102 668 L HN 0.748 nan 8.230 nan 0.000 0.470 669 L N 2.293 123.326 121.223 -0.316 0.000 2.030 669 L HA -0.233 4.107 4.340 0.001 0.000 0.222 669 L C 1.695 178.259 176.870 -0.510 0.000 1.082 669 L CA 2.245 56.746 54.840 -0.565 0.000 0.785 669 L CB -0.471 41.058 42.059 -0.883 0.000 0.895 669 L HN 0.587 nan 8.230 nan 0.000 0.439 670 W N -0.486 120.775 121.300 -0.065 0.000 3.180 670 W HA 0.070 4.730 4.660 0.001 0.000 0.254 670 W C 1.875 178.382 176.519 -0.020 0.000 1.318 670 W CA 0.058 57.380 57.345 -0.038 0.000 1.608 670 W CB -0.098 29.348 29.460 -0.024 0.000 1.124 670 W HN 0.249 nan 8.180 nan 0.000 0.694 671 E N 0.203 120.477 120.200 0.123 0.000 2.479 671 E HA 0.056 4.406 4.350 0.001 0.000 0.193 671 E C 0.703 177.349 176.600 0.077 0.000 1.049 671 E CA 0.081 56.542 56.400 0.102 0.000 0.870 671 E CB 0.028 29.781 29.700 0.089 0.000 0.944 671 E HN 0.233 nan 8.360 nan 0.000 0.492 672 M N 1.748 121.375 119.600 0.045 0.000 2.184 672 M HA 0.092 4.573 4.480 0.001 0.000 0.351 672 M C -1.781 174.556 176.300 0.061 0.000 1.395 672 M CA -1.609 53.714 55.300 0.039 0.000 1.117 672 M CB 0.529 33.114 32.600 -0.025 0.000 1.708 672 M HN -0.201 nan 8.290 nan 0.000 0.468 673 P HA -0.097 nan 4.420 nan 0.000 0.216 673 P C 0.486 177.820 177.300 0.058 0.000 1.150 673 P CA 0.868 63.998 63.100 0.051 0.000 0.843 673 P CB 0.303 32.033 31.700 0.050 0.000 0.787 674 G N -2.567 106.275 108.800 0.069 0.000 2.619 674 G HA2 0.133 4.094 3.960 0.001 0.000 0.305 674 G HA3 0.133 4.094 3.960 0.001 0.000 0.305 674 G C -0.315 174.616 174.900 0.051 0.000 1.330 674 G CA -0.422 44.726 45.100 0.080 0.000 0.789 674 G HN -0.208 nan 8.290 nan 0.000 0.487 675 N N 0.340 119.069 118.700 0.049 0.000 2.398 675 N HA 0.014 4.754 4.740 0.001 0.000 0.188 675 N C 0.966 176.586 175.510 0.184 0.000 1.122 675 N CA 0.356 53.444 53.050 0.064 0.000 0.866 675 N CB 0.463 38.959 38.487 0.016 0.000 0.970 675 N HN 0.503 nan 8.380 nan 0.000 0.462 676 D N 0.851 121.358 120.400 0.177 0.000 2.097 676 D HA -0.112 4.528 4.640 0.001 0.000 0.195 676 D C 1.903 178.309 176.300 0.177 0.000 0.989 676 D CA 1.212 55.331 54.000 0.198 0.000 0.827 676 D CB -0.128 40.780 40.800 0.180 0.000 0.966 676 D HN 0.284 nan 8.370 nan 0.000 0.456 677 G N 0.036 108.938 108.800 0.169 0.000 2.408 677 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 677 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 677 G C 1.526 176.552 174.900 0.209 0.000 1.150 677 G CA 0.471 45.663 45.100 0.153 0.000 0.776 677 G HN 0.302 nan 8.290 nan 0.000 0.542 678 Y N 0.988 121.379 120.300 0.152 0.000 2.163 678 Y HA 0.056 4.606 4.550 0.001 0.000 0.288 678 Y C 2.482 178.456 175.900 0.124 0.000 1.136 678 Y CA 1.217 59.439 58.100 0.203 0.000 1.147 678 Y CB -0.181 38.358 38.460 0.131 0.000 0.987 678 Y HN 0.080 nan 8.280 nan 0.000 0.509 679 L N 0.173 121.520 121.223 0.207 0.000 2.201 679 L HA -0.230 4.111 4.340 0.001 0.000 0.212 679 L C 2.475 179.331 176.870 -0.024 0.000 1.105 679 L CA 1.308 56.214 54.840 0.111 0.000 0.775 679 L CB -0.531 41.683 42.059 0.258 0.000 0.913 679 L HN 0.369 nan 8.230 nan 0.000 0.440 680 Q N -0.197 119.544 119.800 -0.098 0.000 2.079 680 Q HA -0.162 4.178 4.340 0.001 0.000 0.200 680 Q C 2.369 178.207 176.000 -0.269 0.000 0.974 680 Q CA 1.208 56.793 55.803 -0.363 0.000 0.840 680 Q CB -0.032 28.485 28.738 -0.368 0.000 0.898 680 Q HN 0.540 nan 8.270 nan 0.000 0.430 681 L N -0.167 120.956 121.223 -0.167 0.000 2.093 681 L HA -0.142 4.198 4.340 0.001 0.000 0.208 681 L C 2.340 179.032 176.870 -0.297 0.000 1.085 681 L CA 0.611 55.356 54.840 -0.159 0.000 0.755 681 L CB -0.424 41.625 42.059 -0.017 0.000 0.904 681 L HN 0.089 nan 8.230 nan 0.000 0.435 682 V N 0.410 120.111 119.914 -0.355 0.000 2.343 682 V HA -0.208 3.913 4.120 0.001 0.000 0.247 682 V C 2.641 178.582 176.094 -0.254 0.000 1.051 682 V CA 2.020 64.102 62.300 -0.364 0.000 1.036 682 V CB -1.169 30.442 31.823 -0.355 0.000 0.654 682 V HN 0.566 nan 8.190 nan 0.000 0.451 683 G N -0.285 108.401 108.800 -0.189 0.000 2.418 683 G HA2 -0.210 3.750 3.960 0.001 0.000 0.217 683 G HA3 -0.210 3.750 3.960 0.001 0.000 0.217 683 G C 1.587 176.374 174.900 -0.189 0.000 1.158 683 G CA 0.964 45.982 45.100 -0.137 0.000 0.771 683 G HN 0.490 nan 8.290 nan 0.000 0.545 684 I N 0.321 120.760 120.570 -0.219 0.000 2.252 684 I HA -0.155 4.015 4.170 0.001 0.000 0.245 684 I C 2.936 178.939 176.117 -0.190 0.000 1.102 684 I CA 0.914 62.108 61.300 -0.177 0.000 1.385 684 I CB -0.161 37.784 38.000 -0.092 0.000 1.064 684 I HN 0.163 nan 8.210 nan 0.000 0.414 685 M N -0.311 119.067 119.600 -0.370 0.000 2.082 685 M HA -0.296 4.184 4.480 0.001 0.000 0.258 685 M C 2.354 178.521 176.300 -0.222 0.000 1.069 685 M CA 1.839 56.788 55.300 -0.585 0.000 1.102 685 M CB -0.443 31.597 32.600 -0.934 0.000 1.336 685 M HN 0.125 nan 8.290 nan 0.000 0.404 686 Q N 0.759 120.450 119.800 -0.181 0.000 2.364 686 Q HA -0.149 4.192 4.340 0.001 0.000 0.209 686 Q C 1.691 177.706 176.000 0.025 0.000 0.977 686 Q CA 1.450 57.219 55.803 -0.057 0.000 0.885 686 Q CB -0.290 28.420 28.738 -0.046 0.000 0.941 686 Q HN 0.391 nan 8.270 nan 0.000 0.464 687 K N -1.258 119.037 120.400 -0.173 0.000 2.103 687 K HA -0.152 4.168 4.320 0.001 0.000 0.207 687 K C 0.755 177.120 176.600 -0.393 0.000 1.048 687 K CA 1.480 57.505 56.287 -0.437 0.000 0.930 687 K CB -0.028 31.884 32.500 -0.980 0.000 0.716 687 K HN 0.265 nan 8.250 nan 0.000 0.444 688 F N 0.377 120.340 119.950 0.021 0.000 2.602 688 F HA 0.231 4.759 4.527 0.000 0.000 0.284 688 F C 0.626 176.491 175.800 0.108 0.000 1.111 688 F CA -0.635 57.412 58.000 0.078 0.000 1.405 688 F CB 0.207 39.277 39.000 0.115 0.000 1.121 688 F HN -0.185 nan 8.300 nan 0.000 0.603 689 I N 2.211 122.920 120.570 0.232 0.000 2.683 689 I HA -0.104 4.066 4.170 0.001 0.000 0.286 689 I C 1.038 177.185 176.117 0.049 0.000 1.175 689 I CA 0.330 61.718 61.300 0.147 0.000 1.429 689 I CB 0.112 38.162 38.000 0.083 0.000 1.371 689 I HN 0.219 nan 8.210 nan 0.000 0.569 690 D N 4.464 124.908 120.400 0.074 0.000 2.149 690 D HA -0.092 4.549 4.640 0.001 0.000 0.201 690 D C 1.292 177.597 176.300 0.008 0.000 0.972 690 D CA 1.282 55.300 54.000 0.029 0.000 0.835 690 D CB 0.574 41.429 40.800 0.091 0.000 0.966 690 D HN 0.621 nan 8.370 nan 0.000 0.476 691 Q N -0.239 119.585 119.800 0.040 0.000 3.078 691 Q HA 0.351 4.691 4.340 0.001 0.000 0.209 691 Q C 0.345 176.358 176.000 0.023 0.000 1.169 691 Q CA -0.430 55.400 55.803 0.046 0.000 0.335 691 Q CB 0.576 29.349 28.738 0.059 0.000 5.772 691 Q HN -0.096 nan 8.270 nan 0.000 0.311 692 S N -1.056 114.657 115.700 0.021 0.000 2.841 692 S HA 0.689 5.160 4.470 0.001 0.000 0.318 692 S C -1.335 173.266 174.600 0.000 0.000 1.127 692 S CA -0.723 57.484 58.200 0.012 0.000 0.883 692 S CB 0.809 64.019 63.200 0.016 0.000 1.271 692 S HN 0.347 nan 8.310 nan 0.000 0.567 693 I N 1.184 121.747 120.570 -0.011 0.000 2.647 693 I HA 0.324 4.494 4.170 0.001 0.000 0.295 693 I C -0.262 175.841 176.117 -0.024 0.000 1.078 693 I CA -0.525 60.758 61.300 -0.028 0.000 1.048 693 I CB 2.363 40.320 38.000 -0.071 0.000 1.239 693 I HN 0.412 nan 8.210 nan 0.000 0.421 694 S N 4.613 120.295 115.700 -0.030 0.000 4.085 694 S HA 0.275 4.745 4.470 0.001 0.000 0.189 694 S C 0.480 175.081 174.600 0.001 0.000 1.392 694 S CA -0.506 57.657 58.200 -0.061 0.000 0.972 694 S CB -0.517 62.626 63.200 -0.096 0.000 1.482 694 S HN 0.621 nan 8.310 nan 0.000 0.446 695 A N 2.822 125.671 122.820 0.049 0.000 2.454 695 A HA 0.280 4.600 4.320 0.001 0.000 0.260 695 A C 0.379 178.087 177.584 0.207 0.000 1.106 695 A CA -0.391 51.757 52.037 0.185 0.000 0.780 695 A CB 0.076 19.171 19.000 0.159 0.000 1.044 695 A HN 0.702 nan 8.150 nan 0.000 0.498 696 N N 0.584 119.435 118.700 0.252 0.000 2.487 696 N HA 0.525 5.266 4.740 0.001 0.000 0.292 696 N C -0.225 175.321 175.510 0.060 0.000 1.108 696 N CA -0.432 52.696 53.050 0.130 0.000 0.956 696 N CB 1.479 39.998 38.487 0.053 0.000 1.176 696 N HN 0.725 nan 8.380 nan 0.000 0.484 697 T N -0.949 113.670 114.554 0.108 0.000 2.902 697 T HA 0.428 4.779 4.350 0.001 0.000 0.283 697 T C -0.620 174.046 174.700 -0.056 0.000 1.009 697 T CA -0.953 61.168 62.100 0.035 0.000 1.051 697 T CB 1.006 70.023 68.868 0.248 0.000 0.999 697 T HN 0.363 nan 8.240 nan 0.000 0.474 698 N N 1.430 119.927 118.700 -0.338 0.000 2.249 698 N HA 0.387 5.127 4.740 0.001 0.000 0.296 698 N C -1.826 173.459 175.510 -0.374 0.000 1.051 698 N CA -0.518 52.401 53.050 -0.219 0.000 0.815 698 N CB 2.396 40.657 38.487 -0.376 0.000 1.487 698 N HN 0.660 nan 8.380 nan 0.000 0.475 699 Y N -0.338 120.231 120.300 0.448 0.000 2.396 699 Y HA 0.183 4.733 4.550 0.000 0.000 0.332 699 Y C -0.500 175.596 175.900 0.326 0.000 1.034 699 Y CA -0.975 57.367 58.100 0.403 0.000 1.057 699 Y CB 1.797 40.400 38.460 0.238 0.000 1.220 699 Y HN 0.359 nan 8.280 nan 0.000 0.440 700 D N 4.873 125.517 120.400 0.407 0.000 2.359 700 D HA 0.287 4.927 4.640 0.001 0.000 0.230 700 D C -2.014 174.423 176.300 0.229 0.000 1.118 700 D CA -2.451 51.587 54.000 0.064 0.000 0.844 700 D CB 2.013 42.825 40.800 0.021 0.000 1.059 700 D HN 0.219 nan 8.370 nan 0.000 0.493 701 P HA -0.123 nan 4.420 nan 0.000 0.218 701 P C 1.109 178.525 177.300 0.194 0.000 1.148 701 P CA 0.944 64.158 63.100 0.190 0.000 0.822 701 P CB 0.148 31.883 31.700 0.058 0.000 0.784 702 S N -1.363 114.382 115.700 0.075 0.000 2.660 702 S HA 0.038 4.509 4.470 0.001 0.000 0.223 702 S C 1.615 176.221 174.600 0.011 0.000 0.963 702 S CA 0.161 58.383 58.200 0.036 0.000 0.932 702 S CB -0.729 62.463 63.200 -0.013 0.000 0.775 702 S HN 0.089 nan 8.310 nan 0.000 0.531 703 R N -0.520 119.977 120.500 -0.005 0.000 2.334 703 R HA 0.348 4.688 4.340 0.001 0.000 0.216 703 R C -0.865 175.170 176.300 -0.441 0.000 0.905 703 R CA 0.118 56.081 56.100 -0.229 0.000 1.064 703 R CB 0.191 30.291 30.300 -0.333 0.000 1.046 703 R HN 0.421 nan 8.270 nan 0.000 0.508 704 F N 0.618 120.598 119.950 0.050 0.000 2.522 704 F HA 0.381 4.908 4.527 0.001 0.000 0.324 704 F C -2.018 173.800 175.800 0.030 0.000 1.077 704 F CA -3.135 54.893 58.000 0.047 0.000 0.944 704 F CB 1.277 40.309 39.000 0.052 0.000 1.175 704 F HN -0.262 nan 8.300 nan 0.000 0.468 705 P HA 0.107 nan 4.420 nan 0.000 0.264 705 P C -0.031 177.335 177.300 0.110 0.000 1.193 705 P CA 0.537 63.709 63.100 0.119 0.000 0.763 705 P CB 0.727 32.490 31.700 0.105 0.000 0.810 706 S N 1.659 117.404 115.700 0.074 0.000 3.228 706 S HA -0.156 4.314 4.470 0.001 0.000 0.282 706 S C 1.217 175.852 174.600 0.057 0.000 1.286 706 S CA 0.982 59.215 58.200 0.054 0.000 1.066 706 S CB -2.264 60.962 63.200 0.044 0.000 1.277 706 S HN 1.091 nan 8.310 nan 0.000 0.661 707 G N 1.053 109.903 108.800 0.084 0.000 2.225 707 G HA2 -0.352 3.608 3.960 0.001 0.000 0.267 707 G HA3 -0.352 3.608 3.960 0.001 0.000 0.267 707 G C -0.293 174.654 174.900 0.077 0.000 1.024 707 G CA 1.121 46.273 45.100 0.086 0.000 0.784 707 G HN 1.225 nan 8.290 nan 0.000 0.507 708 K N -1.169 119.278 120.400 0.078 0.000 2.427 708 K HA 0.731 5.051 4.320 0.001 0.000 0.252 708 K C -0.342 176.197 176.600 -0.102 0.000 0.931 708 K CA -1.268 55.019 56.287 -0.000 0.000 0.793 708 K CB 2.799 35.289 32.500 -0.016 0.000 1.211 708 K HN 0.092 nan 8.250 nan 0.000 0.426 709 V N 3.585 123.355 119.914 -0.240 0.000 2.470 709 V HA 0.210 4.330 4.120 0.001 0.000 0.276 709 V C -1.780 174.041 176.094 -0.454 0.000 1.040 709 V CA -1.280 60.667 62.300 -0.587 0.000 1.008 709 V CB 0.137 31.633 31.823 -0.546 0.000 0.990 709 V HN 0.818 nan 8.190 nan 0.000 0.477 710 P HA 0.197 nan 4.420 nan 0.000 0.281 710 P C 0.591 177.764 177.300 -0.212 0.000 1.252 710 P CA -0.593 62.360 63.100 -0.244 0.000 0.778 710 P CB 1.102 32.718 31.700 -0.140 0.000 0.895 711 M N 3.243 122.764 119.600 -0.131 0.000 2.143 711 M HA -0.268 4.213 4.480 0.001 0.000 0.258 711 M C 1.976 178.245 176.300 -0.052 0.000 1.071 711 M CA 2.023 57.272 55.300 -0.084 0.000 1.088 711 M CB -1.078 31.499 32.600 -0.037 0.000 1.360 711 M HN 0.399 nan 8.290 nan 0.000 0.404 712 Q N -0.359 119.419 119.800 -0.036 0.000 2.096 712 Q HA -0.249 4.092 4.340 0.001 0.000 0.204 712 Q C 2.100 178.112 176.000 0.019 0.000 0.982 712 Q CA 2.353 58.157 55.803 0.001 0.000 0.850 712 Q CB -0.414 28.335 28.738 0.018 0.000 0.901 712 Q HN 0.681 nan 8.270 nan 0.000 0.422 713 Q N -0.380 119.421 119.800 0.002 0.000 2.083 713 Q HA -0.017 4.324 4.340 0.001 0.000 0.198 713 Q C 1.929 177.971 176.000 0.071 0.000 0.969 713 Q CA 1.388 57.235 55.803 0.073 0.000 0.838 713 Q CB -0.289 28.508 28.738 0.098 0.000 0.900 713 Q HN 0.545 nan 8.270 nan 0.000 0.436 714 L N -0.333 120.845 121.223 -0.075 0.000 2.043 714 L HA -0.222 4.119 4.340 0.001 0.000 0.212 714 L C 2.256 179.176 176.870 0.083 0.000 1.075 714 L CA 1.200 56.004 54.840 -0.060 0.000 0.752 714 L CB -0.472 41.494 42.059 -0.155 0.000 0.891 714 L HN 0.276 nan 8.230 nan 0.000 0.432 715 L N -0.660 120.602 121.223 0.064 0.000 2.156 715 L HA -0.166 4.174 4.340 0.001 0.000 0.208 715 L C 2.620 179.536 176.870 0.076 0.000 1.095 715 L CA 0.921 55.809 54.840 0.080 0.000 0.770 715 L CB -0.345 41.735 42.059 0.034 0.000 0.914 715 L HN 0.210 nan 8.230 nan 0.000 0.439 716 K N 0.144 120.594 120.400 0.083 0.000 2.057 716 K HA -0.173 4.147 4.320 0.001 0.000 0.206 716 K C 1.583 178.253 176.600 0.116 0.000 1.050 716 K CA 1.495 57.831 56.287 0.082 0.000 0.935 716 K CB 0.102 32.659 32.500 0.095 0.000 0.715 716 K HN 0.180 nan 8.250 nan 0.000 0.439 717 D N 0.854 121.363 120.400 0.182 0.000 2.178 717 D HA -0.164 4.476 4.640 0.001 0.000 0.201 717 D C 1.780 178.202 176.300 0.203 0.000 0.980 717 D CA 0.693 54.827 54.000 0.223 0.000 0.842 717 D CB -0.080 40.914 40.800 0.323 0.000 0.948 717 D HN 0.163 nan 8.370 nan 0.000 0.472 718 L N 0.244 121.584 121.223 0.195 0.000 2.093 718 L HA -0.059 4.281 4.340 0.001 0.000 0.208 718 L C 2.018 178.952 176.870 0.108 0.000 1.085 718 L CA 1.284 56.248 54.840 0.206 0.000 0.755 718 L CB -0.261 41.956 42.059 0.263 0.000 0.904 718 L HN -0.013 nan 8.230 nan 0.000 0.435 719 L N -1.356 119.881 121.223 0.024 0.000 2.109 719 L HA -0.137 4.203 4.340 0.001 0.000 0.207 719 L C 2.339 179.174 176.870 -0.058 0.000 1.086 719 L CA 1.379 56.157 54.840 -0.103 0.000 0.760 719 L CB -1.033 40.958 42.059 -0.113 0.000 0.910 719 L HN 0.232 nan 8.230 nan 0.000 0.437 720 T N 0.219 114.774 114.554 0.002 0.000 2.684 720 T HA -0.227 4.123 4.350 0.001 0.000 0.267 720 T C 2.065 176.801 174.700 0.059 0.000 1.036 720 T CA 1.464 63.559 62.100 -0.008 0.000 1.148 720 T CB -0.285 68.664 68.868 0.135 0.000 0.863 720 T HN 0.452 nan 8.240 nan 0.000 0.436 721 A N 0.590 123.501 122.820 0.153 0.000 1.873 721 A HA -0.177 4.143 4.320 0.001 0.000 0.218 721 A C 2.110 179.787 177.584 0.154 0.000 1.193 721 A CA 1.969 54.121 52.037 0.190 0.000 0.629 721 A CB -1.224 17.903 19.000 0.212 0.000 0.826 721 A HN 0.621 nan 8.150 nan 0.000 0.447 722 Y N 0.401 120.691 120.300 -0.016 0.000 2.181 722 Y HA -0.219 4.331 4.550 0.000 0.000 0.288 722 Y C 2.444 178.370 175.900 0.044 0.000 1.146 722 Y CA 2.397 60.492 58.100 -0.009 0.000 1.164 722 Y CB -0.157 38.062 38.460 -0.403 0.000 0.982 722 Y HN 0.341 nan 8.280 nan 0.000 0.515 723 K N -0.605 119.791 120.400 -0.005 0.000 2.063 723 K HA -0.180 4.141 4.320 0.001 0.000 0.208 723 K C 1.119 177.550 176.600 -0.282 0.000 1.048 723 K CA 1.679 57.844 56.287 -0.203 0.000 0.928 723 K CB -0.385 31.838 32.500 -0.463 0.000 0.713 723 K HN 0.298 nan 8.250 nan 0.000 0.442 724 F N 0.201 120.122 119.950 -0.049 0.000 2.773 724 F HA 0.251 4.778 4.527 0.000 0.000 0.304 724 F C 1.350 177.033 175.800 -0.194 0.000 1.129 724 F CA 0.448 58.391 58.000 -0.095 0.000 1.378 724 F CB 0.333 39.304 39.000 -0.048 0.000 1.095 724 F HN 0.314 nan 8.300 nan 0.000 0.565 725 G N 0.256 108.938 108.800 -0.196 0.000 2.136 725 G HA2 -0.260 3.700 3.960 0.001 0.000 0.242 725 G HA3 -0.260 3.700 3.960 0.001 0.000 0.242 725 G C 0.129 174.893 174.900 -0.226 0.000 0.989 725 G CA 0.082 44.842 45.100 -0.567 0.000 0.682 725 G HN 0.135 nan 8.290 nan 0.000 0.522 726 V N 0.635 120.549 119.914 0.000 0.000 2.540 726 V HA 0.112 4.232 4.120 0.001 0.000 0.297 726 V C 1.736 177.925 176.094 0.158 0.000 1.024 726 V CA 1.225 63.571 62.300 0.077 0.000 1.105 726 V CB 1.164 33.055 31.823 0.113 0.000 0.938 726 V HN 0.460 nan 8.190 nan 0.000 0.482 727 K N 2.321 122.794 120.400 0.122 0.000 2.137 727 K HA 0.041 4.362 4.320 0.001 0.000 0.202 727 K C 0.763 177.450 176.600 0.145 0.000 1.052 727 K CA 1.196 57.571 56.287 0.147 0.000 0.961 727 K CB 0.143 32.704 32.500 0.101 0.000 0.741 727 K HN 0.889 nan 8.250 nan 0.000 0.452 728 T N -1.769 112.860 114.554 0.125 0.000 2.896 728 T HA 0.631 4.982 4.350 0.001 0.000 0.297 728 T C -0.503 174.279 174.700 0.138 0.000 1.108 728 T CA -1.032 61.148 62.100 0.134 0.000 1.004 728 T CB 1.667 70.589 68.868 0.090 0.000 1.159 728 T HN -0.112 nan 8.240 nan 0.000 0.499 732 Q N 3.239 123.290 119.800 0.418 0.000 2.331 732 Q HA 0.430 4.771 4.340 0.001 0.000 0.257 732 Q C -1.105 175.059 176.000 0.275 0.000 0.957 732 Q CA -0.556 55.443 55.803 0.327 0.000 0.923 732 Q CB 0.703 29.622 28.738 0.301 0.000 1.212 732 Q HN 0.585 nan 8.270 nan 0.000 0.443 733 N N 2.810 121.671 118.700 0.268 0.000 2.426 733 N HA 0.303 5.043 4.740 0.001 0.000 0.275 733 N C -1.186 174.563 175.510 0.399 0.000 1.019 733 N CA -0.113 53.102 53.050 0.275 0.000 0.941 733 N CB 1.833 40.460 38.487 0.234 0.000 1.123 733 N HN 0.428 nan 8.380 nan 0.000 0.486 734 T N 0.932 115.669 114.554 0.305 0.000 2.792 734 T HA 0.290 4.640 4.350 0.001 0.000 0.280 734 T C 0.483 175.239 174.700 0.093 0.000 0.990 734 T CA -0.712 61.533 62.100 0.242 0.000 0.960 734 T CB 1.870 70.825 68.868 0.146 0.000 0.939 734 T HN 0.280 nan 8.240 nan 0.000 0.439 735 R N 2.834 123.215 120.500 -0.198 0.000 2.537 735 R HA 0.060 4.401 4.340 0.001 0.000 0.280 735 R C -0.049 176.092 176.300 -0.265 0.000 1.058 735 R CA -0.292 55.489 56.100 -0.531 0.000 1.057 735 R CB 0.347 29.806 30.300 -1.403 0.000 0.973 735 R HN 0.712 nan 8.270 nan 0.000 0.438 736 D N 3.937 124.226 120.400 -0.185 0.000 2.631 736 D HA 0.263 4.903 4.640 0.001 0.000 0.227 736 D C 0.135 176.347 176.300 -0.147 0.000 1.146 736 D CA -0.225 53.703 54.000 -0.118 0.000 1.009 736 D CB 0.615 41.380 40.800 -0.057 0.000 1.057 736 D HN 0.718 nan 8.370 nan 0.000 0.509 737 G N 0.000 108.690 108.800 -0.183 0.000 5.446 737 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 737 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 737 G CA 0.000 45.001 45.100 -0.164 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925