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 2xaw_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 XHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV RQSNLCLEIA 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 FGVKTLXFQN 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 0.000 175.530 175.510 0.033 0.000 1.280 4 N CA 0.000 53.067 53.050 0.028 0.000 0.885 4 N CB 0.000 38.500 38.487 0.021 0.000 1.341 5 L N 0.147 121.390 121.223 0.033 0.000 0.610 5 L HA -0.073 4.267 4.340 0.001 0.000 0.357 5 L C -1.736 175.135 176.870 0.002 0.000 1.004 5 L CA 0.443 55.301 54.840 0.030 0.000 1.222 5 L CB -0.259 41.832 42.059 0.053 0.000 0.146 5 L HN 0.518 nan 8.230 nan 0.000 0.122 6 L N 3.405 124.618 121.223 -0.016 0.000 2.415 6 L HA 0.985 5.325 4.340 0.001 0.000 0.256 6 L C -1.220 175.604 176.870 -0.077 0.000 1.010 6 L CA -0.641 54.177 54.840 -0.037 0.000 0.826 6 L CB 2.091 44.140 42.059 -0.018 0.000 1.405 6 L HN 0.179 nan 8.230 nan 0.000 0.410 7 V N 0.315 120.176 119.914 -0.089 0.000 2.769 7 V HA 0.593 4.713 4.120 0.001 0.000 0.312 7 V C -0.108 175.930 176.094 -0.095 0.000 1.061 7 V CA -0.310 61.911 62.300 -0.132 0.000 0.931 7 V CB 2.420 34.143 31.823 -0.166 0.000 1.010 7 V HN 0.944 nan 8.190 nan 0.000 0.433 8 T N 4.961 119.453 114.554 -0.104 0.000 2.749 8 T HA 0.249 4.600 4.350 0.001 0.000 0.295 8 T C 0.134 174.795 174.700 -0.065 0.000 0.936 8 T CA -0.240 61.820 62.100 -0.066 0.000 1.060 8 T CB 0.497 69.334 68.868 -0.051 0.000 0.904 8 T HN 0.413 nan 8.240 nan 0.000 0.500 9 K N 2.137 122.511 120.400 -0.042 0.000 2.120 9 K HA 0.240 4.561 4.320 0.001 0.000 0.245 9 K C 1.477 178.067 176.600 -0.017 0.000 1.024 9 K CA -0.432 55.837 56.287 -0.029 0.000 0.906 9 K CB 0.495 32.984 32.500 -0.018 0.000 1.051 9 K HN 0.510 nan 8.250 nan 0.000 0.491 10 R N 0.706 121.204 120.500 -0.004 0.000 2.293 10 R HA -0.103 4.237 4.340 0.001 0.000 0.219 10 R C 0.772 177.071 176.300 -0.000 0.000 1.091 10 R CA 1.433 57.535 56.100 0.003 0.000 1.004 10 R CB 0.133 30.440 30.300 0.013 0.000 0.865 10 R HN 0.555 nan 8.270 nan 0.000 0.469 11 D N -1.697 118.701 120.400 -0.002 0.000 2.350 11 D HA 0.056 4.696 4.640 0.001 0.000 0.213 11 D C 1.206 177.505 176.300 -0.002 0.000 1.031 11 D CA 0.909 54.908 54.000 -0.002 0.000 0.861 11 D CB 0.715 41.514 40.800 -0.002 0.000 0.926 11 D HN 0.365 nan 8.370 nan 0.000 0.520 12 G N 1.367 110.166 108.800 -0.003 0.000 2.213 12 G HA2 -0.288 3.673 3.960 0.001 0.000 0.226 12 G HA3 -0.288 3.673 3.960 0.001 0.000 0.226 12 G C 0.609 175.507 174.900 -0.003 0.000 0.992 12 G CA 0.353 45.452 45.100 -0.001 0.000 0.632 12 G HN 0.522 nan 8.290 nan 0.000 0.511 13 S N -0.692 115.005 115.700 -0.005 0.000 2.661 13 S HA 0.749 5.220 4.470 0.001 0.000 0.265 13 S C 0.063 174.656 174.600 -0.012 0.000 1.225 13 S CA 0.507 58.703 58.200 -0.006 0.000 0.986 13 S CB 2.079 65.276 63.200 -0.005 0.000 1.008 13 S HN 1.334 nan 8.310 nan 0.000 0.565 14 T N 0.344 114.891 114.554 -0.011 0.000 2.881 14 T HA 0.558 4.909 4.350 0.001 0.000 0.290 14 T C -1.475 173.215 174.700 -0.017 0.000 1.000 14 T CA -0.609 61.481 62.100 -0.017 0.000 0.978 14 T CB 1.035 69.896 68.868 -0.012 0.000 0.997 14 T HN 0.895 nan 8.240 nan 0.000 0.443 15 E N 4.107 124.292 120.200 -0.024 0.000 2.412 15 E HA 0.411 4.762 4.350 0.001 0.000 0.279 15 E C -0.986 175.596 176.600 -0.030 0.000 0.984 15 E CA -0.947 55.440 56.400 -0.021 0.000 0.788 15 E CB 1.501 31.191 29.700 -0.017 0.000 1.277 15 E HN 0.694 nan 8.360 nan 0.000 0.455 16 R N 0.598 121.085 120.500 -0.023 0.000 2.822 16 R HA 0.314 4.654 4.340 0.001 0.000 0.277 16 R C 0.526 176.804 176.300 -0.036 0.000 1.102 16 R CA -0.430 55.655 56.100 -0.025 0.000 1.207 16 R CB 0.378 30.671 30.300 -0.011 0.000 1.139 16 R HN 0.500 nan 8.270 nan 0.000 0.557 17 I N 2.602 123.149 120.570 -0.038 0.000 2.312 17 I HA 0.007 4.177 4.170 0.001 0.000 0.291 17 I C -0.504 175.600 176.117 -0.023 0.000 1.031 17 I CA -0.386 60.879 61.300 -0.058 0.000 1.293 17 I CB 0.702 38.651 38.000 -0.085 0.000 1.403 17 I HN 0.503 nan 8.210 nan 0.000 0.484 18 N N 8.057 126.741 118.700 -0.027 0.000 2.508 18 N HA 0.077 4.817 4.740 0.001 0.000 0.253 18 N C 0.950 176.481 175.510 0.036 0.000 1.145 18 N CA 0.018 53.071 53.050 0.005 0.000 0.973 18 N CB 0.369 38.859 38.487 0.004 0.000 1.305 18 N HN 0.692 nan 8.380 nan 0.000 0.506 19 L N 1.203 122.468 121.223 0.070 0.000 2.265 19 L HA -0.128 4.212 4.340 0.001 0.000 0.215 19 L C 0.777 177.744 176.870 0.161 0.000 1.117 19 L CA 1.071 56.001 54.840 0.149 0.000 0.782 19 L CB 0.045 42.191 42.059 0.146 0.000 0.914 19 L HN 0.510 nan 8.230 nan 0.000 0.441 20 D N -1.995 118.466 120.400 0.102 0.000 2.441 20 D HA -0.068 4.573 4.640 0.001 0.000 0.210 20 D C 1.769 178.132 176.300 0.105 0.000 1.102 20 D CA -0.120 53.949 54.000 0.115 0.000 0.840 20 D CB 0.140 40.965 40.800 0.042 0.000 0.990 20 D HN 0.046 nan 8.370 nan 0.000 0.505 21 K N 1.393 121.836 120.400 0.072 0.000 2.148 21 K HA 0.005 4.325 4.320 0.001 0.000 0.204 21 K C 2.040 178.677 176.600 0.062 0.000 1.050 21 K CA 0.305 56.626 56.287 0.056 0.000 0.942 21 K CB -0.095 32.429 32.500 0.041 0.000 0.724 21 K HN 0.223 nan 8.250 nan 0.000 0.446 22 I N -0.451 120.170 120.570 0.084 0.000 2.072 22 I HA -0.315 3.855 4.170 0.001 0.000 0.235 22 I C 2.371 178.561 176.117 0.121 0.000 1.058 22 I CA 1.528 62.889 61.300 0.101 0.000 1.320 22 I CB -0.487 37.606 38.000 0.154 0.000 1.047 22 I HN 0.268 nan 8.210 nan 0.000 0.397 23 H N 0.737 119.861 119.070 0.089 0.000 2.325 23 H HA -0.277 4.279 4.556 0.001 0.000 0.293 23 H C 2.411 177.763 175.328 0.039 0.000 1.106 23 H CA 2.289 58.376 56.048 0.065 0.000 1.247 23 H CB -0.021 29.769 29.762 0.046 0.000 1.359 23 H HN 0.075 nan 8.280 nan 0.000 0.488 24 R N -0.423 120.177 120.500 0.167 0.000 2.080 24 R HA -0.148 4.192 4.340 0.001 0.000 0.236 24 R C 2.308 178.627 176.300 0.032 0.000 1.137 24 R CA 1.879 58.036 56.100 0.095 0.000 0.943 24 R CB -0.360 29.974 30.300 0.057 0.000 0.846 24 R HN 0.240 nan 8.270 nan 0.000 0.431 25 V N 1.228 121.119 119.914 -0.038 0.000 2.332 25 V HA -0.274 3.847 4.120 0.001 0.000 0.248 25 V C 2.352 178.457 176.094 0.018 0.000 1.055 25 V CA 1.798 64.019 62.300 -0.130 0.000 1.038 25 V CB -0.467 31.122 31.823 -0.389 0.000 0.651 25 V HN 0.355 nan 8.190 nan 0.000 0.450 26 L N -0.395 120.807 121.223 -0.034 0.000 2.083 26 L HA -0.198 4.142 4.340 0.001 0.000 0.209 26 L C 2.455 179.274 176.870 -0.085 0.000 1.083 26 L CA 1.617 56.414 54.840 -0.070 0.000 0.752 26 L CB -0.617 41.357 42.059 -0.141 0.000 0.899 26 L HN 0.363 nan 8.230 nan 0.000 0.433 27 D N -0.839 119.524 120.400 -0.062 0.000 2.097 27 D HA -0.251 4.389 4.640 0.001 0.000 0.195 27 D C 1.731 178.048 176.300 0.030 0.000 0.989 27 D CA 1.284 55.274 54.000 -0.016 0.000 0.827 27 D CB -0.122 40.713 40.800 0.058 0.000 0.966 27 D HN 0.443 nan 8.370 nan 0.000 0.456 28 W N 2.099 123.334 121.300 -0.109 0.000 2.333 28 W HA -0.182 4.478 4.660 0.001 0.000 0.316 28 W C 2.278 178.747 176.519 -0.083 0.000 1.215 28 W CA 2.491 59.773 57.345 -0.105 0.000 1.278 28 W CB -0.649 28.713 29.460 -0.164 0.000 1.154 28 W HN -0.058 nan 8.180 nan 0.000 0.486 29 A N 0.693 123.281 122.820 -0.385 0.000 2.019 29 A HA 0.024 4.345 4.320 0.001 0.000 0.219 29 A C 2.088 179.429 177.584 -0.405 0.000 1.164 29 A CA 2.300 53.944 52.037 -0.656 0.000 0.644 29 A CB -1.397 17.413 19.000 -0.316 0.000 0.805 29 A HN 0.529 nan 8.150 nan 0.000 0.449 30 A N -0.453 122.213 122.820 -0.256 0.000 2.072 30 A HA 0.115 4.435 4.320 0.001 0.000 0.216 30 A C 0.877 178.341 177.584 -0.201 0.000 1.156 30 A CA 0.059 51.975 52.037 -0.203 0.000 0.701 30 A CB -0.226 18.682 19.000 -0.153 0.000 0.816 30 A HN 0.601 nan 8.150 nan 0.000 0.458 31 E N -1.036 119.041 120.200 -0.205 0.000 2.502 31 E HA 0.276 4.626 4.350 0.001 0.000 0.261 31 E C 1.318 177.805 176.600 -0.190 0.000 0.974 31 E CA 0.690 56.994 56.400 -0.160 0.000 0.936 31 E CB 0.115 29.742 29.700 -0.121 0.000 0.926 31 E HN 0.570 nan 8.360 nan 0.000 0.459 32 G N 2.811 111.501 108.800 -0.182 0.000 2.347 32 G HA2 -0.320 3.640 3.960 0.001 0.000 0.247 32 G HA3 -0.320 3.640 3.960 0.001 0.000 0.247 32 G C 0.321 174.988 174.900 -0.389 0.000 1.037 32 G CA 0.196 45.149 45.100 -0.245 0.000 0.622 32 G HN 0.426 nan 8.290 nan 0.000 0.521 33 L N 1.019 122.053 121.223 -0.314 0.000 2.397 33 L HA 0.490 4.831 4.340 0.001 0.000 0.271 33 L C 0.643 177.328 176.870 -0.308 0.000 1.148 33 L CA -0.537 54.119 54.840 -0.307 0.000 0.825 33 L CB 0.586 42.520 42.059 -0.209 0.000 1.117 33 L HN 0.264 nan 8.230 nan 0.000 0.456 34 H N 1.834 120.852 119.070 -0.087 0.000 2.457 34 H HA 0.176 4.732 4.556 0.001 0.000 0.335 34 H C 0.167 175.437 175.328 -0.096 0.000 1.115 34 H CA -0.542 55.461 56.048 -0.074 0.000 1.219 34 H CB 0.977 30.712 29.762 -0.045 0.000 1.471 34 H HN 0.690 nan 8.280 nan 0.000 0.491 35 N N 0.916 119.649 118.700 0.055 0.000 2.816 35 N HA -0.183 4.558 4.740 0.001 0.000 0.247 35 N C -1.483 173.951 175.510 -0.126 0.000 1.100 35 N CA 0.501 53.548 53.050 -0.006 0.000 0.687 35 N CB -0.612 37.892 38.487 0.027 0.000 1.003 35 N HN 0.322 nan 8.380 nan 0.000 0.554 36 V N -1.752 118.032 119.914 -0.215 0.000 2.483 36 V HA 0.701 4.821 4.120 0.001 0.000 0.297 36 V C 0.374 176.372 176.094 -0.159 0.000 1.027 36 V CA -0.501 61.531 62.300 -0.448 0.000 0.855 36 V CB 1.709 33.061 31.823 -0.785 0.000 0.995 36 V HN 0.217 nan 8.190 nan 0.000 0.424 37 S N 4.742 120.457 115.700 0.024 0.000 2.439 37 S HA 0.482 4.953 4.470 0.001 0.000 0.282 37 S C 0.995 175.636 174.600 0.069 0.000 1.170 37 S CA -0.648 57.591 58.200 0.064 0.000 1.054 37 S CB 0.332 63.593 63.200 0.101 0.000 0.956 37 S HN 0.704 nan 8.310 nan 0.000 0.490 38 I N 4.226 124.799 120.570 0.005 0.000 2.286 38 I HA -0.153 4.018 4.170 0.001 0.000 0.245 38 I C 2.608 178.723 176.117 -0.003 0.000 1.104 38 I CA 1.159 62.441 61.300 -0.030 0.000 1.397 38 I CB -0.797 37.120 38.000 -0.139 0.000 1.072 38 I HN 0.767 nan 8.210 nan 0.000 0.417 39 S N 0.788 116.502 115.700 0.023 0.000 2.368 39 S HA -0.304 4.166 4.470 0.001 0.000 0.226 39 S C 1.945 176.551 174.600 0.010 0.000 1.044 39 S CA 1.146 59.360 58.200 0.024 0.000 1.062 39 S CB -0.674 62.544 63.200 0.032 0.000 0.931 39 S HN 0.403 nan 8.310 nan 0.000 0.440 40 Q N 1.038 120.857 119.800 0.031 0.000 2.029 40 Q HA -0.117 4.224 4.340 0.001 0.000 0.209 40 Q C 2.571 178.580 176.000 0.015 0.000 0.999 40 Q CA 1.845 57.664 55.803 0.026 0.000 0.857 40 Q CB -1.216 27.558 28.738 0.062 0.000 0.926 40 Q HN 0.562 nan 8.270 nan 0.000 0.415 41 V N 1.318 121.263 119.914 0.052 0.000 2.380 41 V HA -0.266 3.854 4.120 0.001 0.000 0.251 41 V C 2.162 178.287 176.094 0.052 0.000 1.063 41 V CA 2.062 64.389 62.300 0.046 0.000 1.055 41 V CB -0.513 31.360 31.823 0.084 0.000 0.657 41 V HN 0.405 nan 8.190 nan 0.000 0.455 42 E N 0.111 120.341 120.200 0.050 0.000 2.016 42 E HA -0.128 4.222 4.350 0.001 0.000 0.190 42 E C 2.250 178.852 176.600 0.003 0.000 0.985 42 E CA 1.245 57.690 56.400 0.075 0.000 0.802 42 E CB -0.269 29.355 29.700 -0.128 0.000 0.762 42 E HN 0.496 nan 8.360 nan 0.000 0.448 43 L N 0.647 121.834 121.223 -0.060 0.000 1.997 43 L HA -0.254 4.086 4.340 0.001 0.000 0.216 43 L C 2.733 179.571 176.870 -0.053 0.000 1.074 43 L CA 1.508 56.312 54.840 -0.060 0.000 0.763 43 L CB -0.639 41.392 42.059 -0.047 0.000 0.890 43 L HN 0.036 nan 8.230 nan 0.000 0.434 44 R N 0.159 120.630 120.500 -0.049 0.000 2.105 44 R HA -0.163 4.177 4.340 0.001 0.000 0.239 44 R C 2.576 178.815 176.300 -0.101 0.000 1.135 44 R CA 1.855 57.915 56.100 -0.066 0.000 0.967 44 R CB -0.116 30.145 30.300 -0.066 0.000 0.861 44 R HN 0.611 nan 8.270 nan 0.000 0.442 45 S N -1.807 113.823 115.700 -0.116 0.000 2.499 45 S HA 0.024 4.495 4.470 0.001 0.000 0.225 45 S C 1.634 175.773 174.600 -0.769 0.000 1.050 45 S CA -0.076 57.964 58.200 -0.266 0.000 0.928 45 S CB -0.188 62.940 63.200 -0.121 0.000 0.803 45 S HN 0.383 nan 8.310 nan 0.000 0.506 46 H N 0.481 119.090 119.070 -0.768 0.000 2.423 46 H HA 0.125 4.681 4.556 0.001 0.000 0.297 46 H C 1.682 176.629 175.328 -0.634 0.000 1.075 46 H CA 1.301 56.736 56.048 -1.022 0.000 1.342 46 H CB -0.063 29.495 29.762 -0.340 0.000 1.395 46 H HN 0.359 nan 8.280 nan 0.000 0.530 47 I N 1.507 121.927 120.570 -0.249 0.000 3.164 47 I HA -0.188 3.982 4.170 0.001 0.000 0.278 47 I C 1.249 177.300 176.117 -0.111 0.000 1.320 47 I CA 1.194 62.417 61.300 -0.127 0.000 1.422 47 I CB -0.094 37.861 38.000 -0.074 0.000 1.066 47 I HN 0.194 nan 8.210 nan 0.000 0.503 48 Q N -1.159 118.511 119.800 -0.216 0.000 2.246 48 Q HA 0.184 4.524 4.340 0.001 0.000 0.222 48 Q C -0.319 175.799 176.000 0.197 0.000 0.851 48 Q CA -0.256 55.539 55.803 -0.013 0.000 0.945 48 Q CB 0.394 29.127 28.738 -0.010 0.000 1.122 48 Q HN 0.186 nan 8.270 nan 0.000 0.508 49 F N 2.021 121.980 119.950 0.015 0.000 2.502 49 F HA 0.141 4.668 4.527 0.001 0.000 0.371 49 F C 0.167 175.974 175.800 0.012 0.000 1.083 49 F CA -1.397 56.548 58.000 -0.090 0.000 1.174 49 F CB -0.695 38.210 39.000 -0.157 0.000 1.096 49 F HN 0.006 nan 8.300 nan 0.000 0.545 50 Y N -1.310 119.085 120.300 0.157 0.000 2.496 50 Y HA 0.495 5.045 4.550 0.001 0.000 0.331 50 Y C -0.033 175.896 175.900 0.050 0.000 1.140 50 Y CA -2.006 56.143 58.100 0.082 0.000 1.166 50 Y CB 0.358 38.850 38.460 0.053 0.000 1.249 50 Y HN 0.472 nan 8.280 nan 0.000 0.479 51 D N 1.139 121.644 120.400 0.175 0.000 2.426 51 D HA 0.316 4.956 4.640 0.001 0.000 0.261 51 D C 0.994 177.335 176.300 0.069 0.000 1.245 51 D CA 2.256 56.304 54.000 0.080 0.000 0.917 51 D CB -0.073 40.777 40.800 0.085 0.000 1.123 51 D HN 1.007 nan 8.370 nan 0.000 0.508 52 G N 3.788 112.569 108.800 -0.032 0.000 2.136 52 G HA2 -0.278 3.682 3.960 0.001 0.000 0.242 52 G HA3 -0.278 3.682 3.960 0.001 0.000 0.242 52 G C 0.551 175.380 174.900 -0.118 0.000 0.989 52 G CA -0.121 44.955 45.100 -0.040 0.000 0.682 52 G HN 0.662 nan 8.290 nan 0.000 0.522 53 I N 1.568 121.898 120.570 -0.400 0.000 2.668 53 I HA 0.213 4.384 4.170 0.001 0.000 0.285 53 I C 1.297 177.200 176.117 -0.357 0.000 1.168 53 I CA -0.006 60.866 61.300 -0.713 0.000 1.424 53 I CB 0.236 37.532 38.000 -1.174 0.000 1.377 53 I HN 0.429 nan 8.210 nan 0.000 0.560 54 K N 4.550 124.822 120.400 -0.214 0.000 2.149 54 K HA 0.158 4.478 4.320 0.001 0.000 0.245 54 K C 0.913 177.402 176.600 -0.186 0.000 1.024 54 K CA -0.019 56.183 56.287 -0.142 0.000 0.899 54 K CB 0.315 32.783 32.500 -0.054 0.000 1.038 54 K HN 0.691 nan 8.250 nan 0.000 0.496 55 T N -1.906 112.563 114.554 -0.142 0.000 2.904 55 T HA -0.111 4.239 4.350 0.001 0.000 0.267 55 T C 1.923 176.546 174.700 -0.129 0.000 1.059 55 T CA 1.111 63.098 62.100 -0.189 0.000 1.137 55 T CB -0.403 68.394 68.868 -0.119 0.000 0.879 55 T HN 0.553 nan 8.240 nan 0.000 0.467 56 S N 2.252 117.967 115.700 0.024 0.000 2.390 56 S HA -0.214 4.256 4.470 0.001 0.000 0.234 56 S C 1.762 176.368 174.600 0.011 0.000 1.063 56 S CA 1.912 60.194 58.200 0.137 0.000 1.108 56 S CB -0.654 62.611 63.200 0.108 0.000 0.975 56 S HN 0.605 nan 8.310 nan 0.000 0.442 57 D N 0.692 121.057 120.400 -0.059 0.000 2.277 57 D HA 0.086 4.726 4.640 0.001 0.000 0.208 57 D C 1.855 178.085 176.300 -0.116 0.000 0.962 57 D CA 0.438 54.402 54.000 -0.061 0.000 0.865 57 D CB -0.212 40.568 40.800 -0.034 0.000 0.939 57 D HN 0.385 nan 8.370 nan 0.000 0.510 58 I N 0.557 120.961 120.570 -0.276 0.000 2.252 58 I HA -0.244 3.926 4.170 0.001 0.000 0.245 58 I C 2.078 178.080 176.117 -0.192 0.000 1.102 58 I CA 1.207 62.277 61.300 -0.384 0.000 1.385 58 I CB -0.695 36.896 38.000 -0.682 0.000 1.064 58 I HN 0.095 nan 8.210 nan 0.000 0.414 59 H N 0.667 119.684 119.070 -0.088 0.000 2.293 59 H HA -0.168 4.388 4.556 0.001 0.000 0.300 59 H C 2.263 177.511 175.328 -0.133 0.000 1.082 59 H CA 1.416 57.409 56.048 -0.092 0.000 1.308 59 H CB -0.065 29.583 29.762 -0.189 0.000 1.375 59 H HN 0.224 nan 8.280 nan 0.000 0.495 60 E N -0.069 120.080 120.200 -0.086 0.000 2.086 60 E HA -0.185 4.166 4.350 0.001 0.000 0.200 60 E C 2.144 178.763 176.600 0.032 0.000 1.012 60 E CA 2.101 58.476 56.400 -0.043 0.000 0.812 60 E CB -0.049 29.637 29.700 -0.022 0.000 0.743 60 E HN 0.351 nan 8.360 nan 0.000 0.453 61 T N 0.714 115.308 114.554 0.066 0.000 2.985 61 T HA -0.033 4.318 4.350 0.001 0.000 0.266 61 T C 1.711 176.466 174.700 0.091 0.000 1.076 61 T CA 0.997 63.158 62.100 0.102 0.000 1.135 61 T CB -0.063 68.924 68.868 0.199 0.000 0.890 61 T HN 0.307 nan 8.240 nan 0.000 0.480 62 I N -0.489 120.151 120.570 0.117 0.000 2.703 62 I HA 0.104 4.274 4.170 0.001 0.000 0.259 62 I C 1.895 178.044 176.117 0.053 0.000 1.151 62 I CA 1.088 62.450 61.300 0.103 0.000 1.470 62 I CB -0.766 37.327 38.000 0.154 0.000 1.112 62 I HN 0.192 nan 8.210 nan 0.000 0.437 63 I N 1.935 122.538 120.570 0.054 0.000 2.202 63 I HA -0.248 3.922 4.170 0.001 0.000 0.242 63 I C 2.730 178.795 176.117 -0.087 0.000 1.091 63 I CA 1.510 62.816 61.300 0.011 0.000 1.368 63 I CB -0.465 37.585 38.000 0.083 0.000 1.058 63 I HN 0.187 nan 8.210 nan 0.000 0.410 64 K N 1.036 121.419 120.400 -0.029 0.000 2.211 64 K HA -0.138 4.182 4.320 0.001 0.000 0.203 64 K C 2.102 178.654 176.600 -0.081 0.000 1.050 64 K CA 1.095 57.354 56.287 -0.047 0.000 0.945 64 K CB -0.003 32.504 32.500 0.011 0.000 0.732 64 K HN 0.317 nan 8.250 nan 0.000 0.451 65 A N 1.346 124.131 122.820 -0.058 0.000 1.828 65 A HA -0.121 4.199 4.320 0.001 0.000 0.215 65 A C 2.353 179.864 177.584 -0.120 0.000 1.203 65 A CA 1.909 53.903 52.037 -0.073 0.000 0.614 65 A CB -1.198 17.782 19.000 -0.033 0.000 0.844 65 A HN 0.399 nan 8.150 nan 0.000 0.445 66 A N -0.206 122.566 122.820 -0.080 0.000 1.940 66 A HA -0.044 4.276 4.320 0.001 0.000 0.221 66 A C 2.534 180.014 177.584 -0.174 0.000 1.190 66 A CA 3.005 55.014 52.037 -0.046 0.000 0.647 66 A CB -1.298 17.719 19.000 0.028 0.000 0.821 66 A HN 1.318 nan 8.150 nan 0.000 0.457 67 A N -0.042 122.587 122.820 -0.319 0.000 1.873 67 A HA -0.262 4.059 4.320 0.001 0.000 0.218 67 A C 1.761 179.203 177.584 -0.236 0.000 1.193 67 A CA 2.108 53.881 52.037 -0.440 0.000 0.629 67 A CB -0.822 17.807 19.000 -0.618 0.000 0.826 67 A HN 0.495 nan 8.150 nan 0.000 0.447 68 D N -0.224 120.060 120.400 -0.195 0.000 2.221 68 D HA -0.104 4.537 4.640 0.001 0.000 0.204 68 D C 1.545 177.709 176.300 -0.227 0.000 0.982 68 D CA 0.905 54.809 54.000 -0.160 0.000 0.857 68 D CB -0.319 40.404 40.800 -0.128 0.000 0.934 68 D HN 0.465 nan 8.370 nan 0.000 0.475 69 L N 0.459 121.455 121.223 -0.378 0.000 2.599 69 L HA 0.103 4.444 4.340 0.001 0.000 0.230 69 L C 0.669 177.250 176.870 -0.482 0.000 1.141 69 L CA -0.160 54.307 54.840 -0.621 0.000 0.877 69 L CB -0.047 41.239 42.059 -1.289 0.000 1.009 69 L HN -0.095 nan 8.230 nan 0.000 0.447 70 I N 0.366 120.808 120.570 -0.213 0.000 2.668 70 I HA -0.027 4.144 4.170 0.001 0.000 0.285 70 I C 0.635 176.719 176.117 -0.055 0.000 1.168 70 I CA 0.542 61.818 61.300 -0.041 0.000 1.424 70 I CB 0.326 38.316 38.000 -0.017 0.000 1.377 70 I HN 0.209 nan 8.210 nan 0.000 0.560 71 S N 5.939 121.627 115.700 -0.019 0.000 2.625 71 S HA 0.447 4.917 4.470 0.001 0.000 0.271 71 S C 0.786 175.328 174.600 -0.097 0.000 1.161 71 S CA -1.154 57.011 58.200 -0.059 0.000 0.820 71 S CB 1.745 64.916 63.200 -0.050 0.000 1.137 71 S HN 0.658 nan 8.310 nan 0.000 0.470 72 R N 1.211 121.587 120.500 -0.207 0.000 2.103 72 R HA -0.140 4.201 4.340 0.001 0.000 0.242 72 R C 0.413 176.605 176.300 -0.181 0.000 1.142 72 R CA 1.982 57.813 56.100 -0.447 0.000 0.960 72 R CB -1.342 28.485 30.300 -0.788 0.000 0.858 72 R HN 0.731 nan 8.270 nan 0.000 0.439 73 D N 1.207 121.575 120.400 -0.053 0.000 2.234 73 D HA 0.034 4.674 4.640 0.001 0.000 0.205 73 D C 0.327 176.666 176.300 0.065 0.000 0.962 73 D CA 1.145 55.165 54.000 0.034 0.000 0.855 73 D CB 0.198 41.011 40.800 0.023 0.000 0.951 73 D HN 0.351 nan 8.370 nan 0.000 0.500 74 A N 1.894 124.766 122.820 0.087 0.000 2.923 74 A HA 0.346 4.666 4.320 0.001 0.000 0.343 74 A C -1.930 175.749 177.584 0.159 0.000 1.199 74 A CA -1.090 51.042 52.037 0.159 0.000 0.878 74 A CB 0.930 20.136 19.000 0.344 0.000 1.104 74 A HN -0.120 nan 8.150 nan 0.000 0.483 75 P HA 0.046 nan 4.420 nan 0.000 0.249 75 P C -0.097 177.278 177.300 0.125 0.000 1.229 75 P CA 0.696 63.853 63.100 0.095 0.000 0.788 75 P CB 0.518 32.281 31.700 0.104 0.000 1.072 76 D N -1.511 118.948 120.400 0.098 0.000 2.333 76 D HA -0.021 4.619 4.640 0.001 0.000 0.208 76 D C 1.384 177.690 176.300 0.010 0.000 0.984 76 D CA 0.526 54.583 54.000 0.093 0.000 0.873 76 D CB -0.680 40.109 40.800 -0.018 0.000 0.935 76 D HN 0.103 nan 8.370 nan 0.000 0.521 77 Y N 1.085 121.388 120.300 0.006 0.000 2.465 77 Y HA -0.151 4.399 4.550 0.001 0.000 0.289 77 Y C 2.344 178.192 175.900 -0.087 0.000 1.150 77 Y CA 0.928 58.999 58.100 -0.048 0.000 1.293 77 Y CB -0.229 38.189 38.460 -0.070 0.000 0.977 77 Y HN 0.057 nan 8.280 nan 0.000 0.556 78 Q N -1.290 118.536 119.800 0.042 0.000 2.124 78 Q HA -0.220 4.120 4.340 0.001 0.000 0.202 78 Q C 1.095 176.944 176.000 -0.252 0.000 0.977 78 Q CA 1.766 57.490 55.803 -0.132 0.000 0.850 78 Q CB -0.116 28.459 28.738 -0.271 0.000 0.901 78 Q HN 0.611 nan 8.270 nan 0.000 0.429 79 Y N -1.552 118.767 120.300 0.031 0.000 2.509 79 Y HA -0.026 4.524 4.550 0.001 0.000 0.270 79 Y C 1.563 177.441 175.900 -0.036 0.000 1.103 79 Y CA -0.064 58.043 58.100 0.011 0.000 1.278 79 Y CB 0.147 38.590 38.460 -0.029 0.000 1.087 79 Y HN 0.145 nan 8.280 nan 0.000 0.542 80 L N 0.743 121.994 121.223 0.046 0.000 2.027 80 L HA -0.073 4.267 4.340 0.001 0.000 0.206 80 L C 2.306 179.175 176.870 -0.000 0.000 1.074 80 L CA 2.140 56.964 54.840 -0.027 0.000 0.745 80 L CB -1.186 40.837 42.059 -0.059 0.000 0.898 80 L HN 0.118 nan 8.230 nan 0.000 0.433 81 A N -0.580 122.226 122.820 -0.023 0.000 1.972 81 A HA -0.074 4.246 4.320 0.001 0.000 0.219 81 A C 2.414 180.063 177.584 0.108 0.000 1.169 81 A CA 1.834 53.801 52.037 -0.115 0.000 0.635 81 A CB -1.047 17.616 19.000 -0.561 0.000 0.810 81 A HN 0.599 nan 8.150 nan 0.000 0.446 82 A N 0.019 122.953 122.820 0.190 0.000 1.841 82 A HA -0.118 4.202 4.320 0.001 0.000 0.214 82 A C 2.213 179.958 177.584 0.267 0.000 1.195 82 A CA 1.415 53.626 52.037 0.289 0.000 0.611 82 A CB -0.475 18.669 19.000 0.240 0.000 0.835 82 A HN 0.411 nan 8.150 nan 0.000 0.443 83 R N 0.052 120.656 120.500 0.174 0.000 2.115 83 R HA -0.152 4.188 4.340 0.001 0.000 0.239 83 R C 2.066 178.546 176.300 0.300 0.000 1.133 83 R CA 1.682 57.844 56.100 0.104 0.000 0.935 83 R CB -1.579 28.534 30.300 -0.310 0.000 0.853 83 R HN 0.577 nan 8.270 nan 0.000 0.433 84 L N 0.563 121.918 121.223 0.221 0.000 2.187 84 L HA -0.150 4.190 4.340 0.001 0.000 0.213 84 L C 2.615 179.718 176.870 0.389 0.000 1.100 84 L CA 1.304 56.332 54.840 0.313 0.000 0.765 84 L CB -0.562 41.599 42.059 0.170 0.000 0.904 84 L HN 0.216 nan 8.230 nan 0.000 0.437 85 A N -0.110 122.917 122.820 0.345 0.000 1.898 85 A HA -0.098 4.222 4.320 0.001 0.000 0.214 85 A C 2.173 179.956 177.584 0.331 0.000 1.183 85 A CA 0.876 53.118 52.037 0.342 0.000 0.622 85 A CB -0.330 18.873 19.000 0.338 0.000 0.824 85 A HN 0.202 nan 8.150 nan 0.000 0.444 86 I N -1.065 119.720 120.570 0.359 0.000 2.226 86 I HA -0.208 3.963 4.170 0.001 0.000 0.245 86 I C 2.304 178.657 176.117 0.392 0.000 1.100 86 I CA 1.285 62.792 61.300 0.345 0.000 1.374 86 I CB -1.294 36.960 38.000 0.424 0.000 1.057 86 I HN 0.454 nan 8.210 nan 0.000 0.413 87 F N 1.538 121.756 119.950 0.447 0.000 2.095 87 F HA -0.308 4.219 4.527 0.001 0.000 0.298 87 F C 2.863 178.755 175.800 0.154 0.000 1.104 87 F CA 2.355 60.610 58.000 0.426 0.000 1.232 87 F CB -0.551 38.722 39.000 0.455 0.000 0.987 87 F HN 0.200 nan 8.300 nan 0.000 0.475 88 H N -0.131 118.992 119.070 0.088 0.000 2.428 88 H HA -0.021 4.535 4.556 0.001 0.000 0.296 88 H C 1.912 177.158 175.328 -0.138 0.000 1.062 88 H CA 1.987 57.941 56.048 -0.157 0.000 1.350 88 H CB -0.328 29.413 29.762 -0.037 0.000 1.403 88 H HN 0.375 nan 8.280 nan 0.000 0.533 89 L N -0.391 120.735 121.223 -0.162 0.000 2.395 89 L HA -0.026 4.314 4.340 0.001 0.000 0.218 89 L C 2.404 179.096 176.870 -0.297 0.000 1.130 89 L CA 0.311 55.007 54.840 -0.240 0.000 0.826 89 L CB -0.130 41.871 42.059 -0.097 0.000 0.941 89 L HN 0.216 nan 8.230 nan 0.000 0.451 90 R N 0.439 120.785 120.500 -0.256 0.000 2.055 90 R HA -0.082 4.258 4.340 0.001 0.000 0.228 90 R C 2.139 178.264 176.300 -0.292 0.000 1.143 90 R CA 1.026 56.971 56.100 -0.259 0.000 0.945 90 R CB -0.499 29.628 30.300 -0.288 0.000 0.841 90 R HN 0.270 nan 8.270 nan 0.000 0.429 91 K N 0.986 121.178 120.400 -0.346 0.000 2.074 91 K HA -0.214 4.106 4.320 0.001 0.000 0.209 91 K C 2.152 178.585 176.600 -0.279 0.000 1.048 91 K CA 1.581 57.696 56.287 -0.288 0.000 0.926 91 K CB -0.112 32.203 32.500 -0.307 0.000 0.713 91 K HN -0.029 nan 8.250 nan 0.000 0.444 92 K N 0.253 120.418 120.400 -0.392 0.000 2.032 92 K HA -0.170 4.151 4.320 0.001 0.000 0.209 92 K C 1.877 178.262 176.600 -0.357 0.000 1.048 92 K CA 1.688 57.748 56.287 -0.380 0.000 0.927 92 K CB -0.117 32.108 32.500 -0.459 0.000 0.712 92 K HN 0.198 nan 8.250 nan 0.000 0.441 93 A N -0.981 121.547 122.820 -0.487 0.000 1.911 93 A HA -0.002 4.319 4.320 0.001 0.000 0.212 93 A C 1.045 178.313 177.584 -0.527 0.000 1.189 93 A CA 0.991 52.635 52.037 -0.654 0.000 0.639 93 A CB -0.198 18.136 19.000 -1.110 0.000 0.839 93 A HN 0.409 nan 8.150 nan 0.000 0.449 94 Y N -1.855 118.385 120.300 -0.101 0.000 2.588 94 Y HA 0.449 5.000 4.550 0.001 0.000 0.247 94 Y C 1.665 177.517 175.900 -0.080 0.000 1.157 94 Y CA -0.347 57.711 58.100 -0.071 0.000 1.215 94 Y CB 0.089 38.497 38.460 -0.086 0.000 1.245 94 Y HN 0.398 nan 8.280 nan 0.000 0.534 95 G N 0.689 109.486 108.800 -0.004 0.000 2.347 95 G HA2 -0.306 3.654 3.960 0.001 0.000 0.247 95 G HA3 -0.306 3.654 3.960 0.001 0.000 0.247 95 G C 0.208 175.091 174.900 -0.027 0.000 1.037 95 G CA 0.773 45.861 45.100 -0.020 0.000 0.622 95 G HN 0.487 nan 8.290 nan 0.000 0.521 96 Q N -1.664 118.132 119.800 -0.006 0.000 2.605 96 Q HA 0.773 5.113 4.340 0.001 0.000 0.296 96 Q C 0.660 176.640 176.000 -0.034 0.000 1.056 96 Q CA -0.733 55.057 55.803 -0.022 0.000 0.778 96 Q CB 0.540 29.281 28.738 0.005 0.000 1.497 96 Q HN 0.277 nan 8.270 nan 0.000 0.443 97 F N 0.902 120.732 119.950 -0.200 0.000 2.113 97 F HA 0.009 4.536 4.527 0.001 0.000 0.297 97 F C 0.484 176.188 175.800 -0.160 0.000 1.103 97 F CA 1.246 59.108 58.000 -0.231 0.000 1.248 97 F CB 0.409 39.266 39.000 -0.238 0.000 0.999 97 F HN 0.483 nan 8.300 nan 0.000 0.475 98 E N 2.707 122.844 120.200 -0.105 0.000 2.265 98 E HA 0.124 4.475 4.350 0.001 0.000 0.272 98 E C -2.198 174.167 176.600 -0.392 0.000 1.067 98 E CA -1.878 54.383 56.400 -0.231 0.000 0.900 98 E CB 0.100 29.765 29.700 -0.057 0.000 1.017 98 E HN 0.150 nan 8.360 nan 0.000 0.431 99 P HA 0.070 nan 4.420 nan 0.000 0.270 99 P C -2.320 174.698 177.300 -0.471 0.000 1.223 99 P CA -0.856 61.648 63.100 -0.994 0.000 0.785 99 P CB -0.205 30.667 31.700 -1.380 0.000 0.923 100 P HA 0.086 nan 4.420 nan 0.000 0.272 100 P C -0.619 176.718 177.300 0.062 0.000 1.254 100 P CA -0.099 62.944 63.100 -0.094 0.000 0.795 100 P CB 0.150 31.826 31.700 -0.039 0.000 1.022 101 A N 0.997 123.856 122.820 0.065 0.000 2.477 101 A HA 0.061 4.381 4.320 0.001 0.000 0.246 101 A C 1.340 178.979 177.584 0.091 0.000 1.078 101 A CA -0.293 51.811 52.037 0.112 0.000 0.770 101 A CB -0.653 18.399 19.000 0.087 0.000 1.011 101 A HN 0.670 nan 8.150 nan 0.000 0.494 102 L N 3.172 124.477 121.223 0.137 0.000 2.054 102 L HA -0.271 4.069 4.340 0.001 0.000 0.220 102 L C 1.979 178.754 176.870 -0.158 0.000 1.081 102 L CA 2.904 57.728 54.840 -0.027 0.000 0.780 102 L CB -1.286 40.853 42.059 0.133 0.000 0.893 102 L HN 0.886 nan 8.230 nan 0.000 0.438 103 Y N 0.481 120.681 120.300 -0.167 0.000 2.097 103 Y HA -0.287 4.264 4.550 0.001 0.000 0.282 103 Y C 2.400 178.121 175.900 -0.299 0.000 1.152 103 Y CA 2.256 60.163 58.100 -0.322 0.000 1.136 103 Y CB -0.455 37.926 38.460 -0.132 0.000 0.975 103 Y HN 0.367 nan 8.280 nan 0.000 0.498 104 D N -1.183 119.142 120.400 -0.125 0.000 2.104 104 D HA -0.235 4.405 4.640 0.001 0.000 0.194 104 D C 2.027 178.183 176.300 -0.240 0.000 0.994 104 D CA 1.955 55.859 54.000 -0.160 0.000 0.830 104 D CB -0.781 40.012 40.800 -0.012 0.000 0.959 104 D HN 0.520 nan 8.370 nan 0.000 0.452 105 H N 1.212 120.101 119.070 -0.302 0.000 2.265 105 H HA -0.133 4.423 4.556 0.001 0.000 0.295 105 H C 2.107 177.207 175.328 -0.380 0.000 1.084 105 H CA 2.083 57.929 56.048 -0.337 0.000 1.261 105 H CB -0.542 28.889 29.762 -0.553 0.000 1.360 105 H HN -0.105 nan 8.280 nan 0.000 0.487 106 V N -0.146 119.425 119.914 -0.571 0.000 2.250 106 V HA -0.317 3.804 4.120 0.001 0.000 0.250 106 V C 2.780 178.563 176.094 -0.519 0.000 1.060 106 V CA 1.873 63.871 62.300 -0.503 0.000 1.030 106 V CB -0.849 30.587 31.823 -0.645 0.000 0.643 106 V HN 0.389 nan 8.190 nan 0.000 0.445 107 V N -0.314 119.220 119.914 -0.633 0.000 2.332 107 V HA -0.346 3.774 4.120 0.001 0.000 0.248 107 V C 2.422 178.301 176.094 -0.359 0.000 1.055 107 V CA 2.538 64.536 62.300 -0.503 0.000 1.038 107 V CB -0.711 30.772 31.823 -0.566 0.000 0.651 107 V HN 0.576 nan 8.190 nan 0.000 0.450 108 K N -0.863 119.324 120.400 -0.356 0.000 2.097 108 K HA -0.176 4.144 4.320 0.001 0.000 0.206 108 K C 2.135 178.515 176.600 -0.368 0.000 1.049 108 K CA 1.493 57.608 56.287 -0.288 0.000 0.933 108 K CB -0.074 32.295 32.500 -0.217 0.000 0.717 108 K HN 0.275 nan 8.250 nan 0.000 0.442 109 M N 0.065 119.334 119.600 -0.552 0.000 2.287 109 M HA -0.070 4.410 4.480 0.001 0.000 0.266 109 M C 2.127 178.131 176.300 -0.493 0.000 1.079 109 M CA 0.875 55.726 55.300 -0.749 0.000 1.146 109 M CB -0.193 31.473 32.600 -1.557 0.000 1.374 109 M HN -0.005 nan 8.290 nan 0.000 0.435 110 V N 0.179 119.907 119.914 -0.310 0.000 2.307 110 V HA -0.231 3.890 4.120 0.001 0.000 0.245 110 V C 2.271 178.270 176.094 -0.159 0.000 1.045 110 V CA 1.861 64.069 62.300 -0.152 0.000 1.024 110 V CB -0.872 30.890 31.823 -0.102 0.000 0.651 110 V HN 0.462 nan 8.190 nan 0.000 0.449 111 E N 0.826 120.917 120.200 -0.182 0.000 2.108 111 E HA -0.275 4.075 4.350 0.001 0.000 0.203 111 E C 1.796 178.308 176.600 -0.147 0.000 1.022 111 E CA 2.139 58.450 56.400 -0.148 0.000 0.823 111 E CB -0.164 29.444 29.700 -0.155 0.000 0.744 111 E HN 0.730 nan 8.360 nan 0.000 0.456 112 M N -2.088 117.391 119.600 -0.202 0.000 2.723 112 M HA 0.366 4.847 4.480 0.001 0.000 0.270 112 M C 0.894 177.064 176.300 -0.216 0.000 1.282 112 M CA 0.587 55.766 55.300 -0.202 0.000 0.995 112 M CB 0.349 32.808 32.600 -0.236 0.000 1.430 112 M HN 0.153 nan 8.290 nan 0.000 0.477 113 G N 1.673 110.373 108.800 -0.166 0.000 2.233 113 G HA2 -0.256 3.704 3.960 0.001 0.000 0.270 113 G HA3 -0.256 3.704 3.960 0.001 0.000 0.270 113 G C 0.923 175.744 174.900 -0.132 0.000 1.011 113 G CA 0.569 45.598 45.100 -0.119 0.000 0.762 113 G HN 0.541 nan 8.290 nan 0.000 0.511 114 K N -1.474 118.792 120.400 -0.223 0.000 2.348 114 K HA 0.224 4.544 4.320 0.001 0.000 0.194 114 K C 0.333 176.929 176.600 -0.008 0.000 1.052 114 K CA 0.441 56.587 56.287 -0.236 0.000 1.004 114 K CB 0.429 32.604 32.500 -0.542 0.000 0.873 114 K HN 0.421 nan 8.250 nan 0.000 0.523 115 Y N 0.785 120.995 120.300 -0.150 0.000 2.587 115 Y HA 0.254 4.805 4.550 0.001 0.000 0.337 115 Y C 0.273 176.131 175.900 -0.070 0.000 1.065 115 Y CA -2.457 55.580 58.100 -0.106 0.000 1.126 115 Y CB 0.648 39.009 38.460 -0.164 0.000 1.279 115 Y HN -0.107 nan 8.280 nan 0.000 0.489 116 D N 1.211 121.685 120.400 0.123 0.000 2.351 116 D HA -0.035 4.605 4.640 0.001 0.000 0.251 116 D C 0.941 177.254 176.300 0.021 0.000 1.137 116 D CA 0.218 54.270 54.000 0.086 0.000 0.879 116 D CB 0.834 41.743 40.800 0.182 0.000 1.181 116 D HN 0.624 nan 8.370 nan 0.000 0.448 117 N N 2.487 121.218 118.700 0.051 0.000 2.137 117 N HA -0.290 4.450 4.740 0.001 0.000 0.190 117 N C 1.622 177.177 175.510 0.075 0.000 1.017 117 N CA 1.127 54.205 53.050 0.047 0.000 0.859 117 N CB -0.169 38.348 38.487 0.050 0.000 1.002 117 N HN 0.630 nan 8.380 nan 0.000 0.428 118 H N 0.152 119.277 119.070 0.091 0.000 2.520 118 H HA -0.063 4.493 4.556 0.001 0.000 0.295 118 H C 2.078 177.515 175.328 0.182 0.000 1.096 118 H CA 1.089 57.199 56.048 0.105 0.000 1.249 118 H CB -0.536 29.267 29.762 0.069 0.000 1.365 118 H HN 0.248 nan 8.280 nan 0.000 0.556 119 L N -0.391 120.705 121.223 -0.211 0.000 2.072 119 L HA -0.080 4.261 4.340 0.001 0.000 0.205 119 L C 2.397 179.522 176.870 0.425 0.000 1.079 119 L CA 0.981 55.868 54.840 0.079 0.000 0.752 119 L CB -0.205 41.880 42.059 0.044 0.000 0.906 119 L HN 0.338 nan 8.230 nan 0.000 0.436 120 L N -0.787 120.619 121.223 0.305 0.000 2.072 120 L HA -0.174 4.167 4.340 0.001 0.000 0.205 120 L C 2.454 179.499 176.870 0.292 0.000 1.079 120 L CA 1.099 56.161 54.840 0.370 0.000 0.752 120 L CB -0.426 41.728 42.059 0.158 0.000 0.906 120 L HN 0.231 nan 8.230 nan 0.000 0.436 121 E N 0.247 120.565 120.200 0.198 0.000 2.038 121 E HA -0.237 4.114 4.350 0.001 0.000 0.195 121 E C 1.534 178.203 176.600 0.115 0.000 1.000 121 E CA 1.618 58.104 56.400 0.143 0.000 0.803 121 E CB -0.080 29.697 29.700 0.129 0.000 0.750 121 E HN 0.471 nan 8.360 nan 0.000 0.448 122 D N -1.163 119.312 120.400 0.124 0.000 2.323 122 D HA -0.008 4.632 4.640 0.001 0.000 0.209 122 D C -0.293 175.830 176.300 -0.296 0.000 0.973 122 D CA 0.818 54.785 54.000 -0.055 0.000 0.874 122 D CB 0.138 40.926 40.800 -0.021 0.000 0.930 122 D HN 0.144 nan 8.370 nan 0.000 0.521 123 Y N -0.183 120.105 120.300 -0.020 0.000 2.462 123 Y HA 0.303 4.853 4.550 0.001 0.000 0.346 123 Y C 0.651 176.526 175.900 -0.042 0.000 0.976 123 Y CA -1.192 56.777 58.100 -0.218 0.000 1.044 123 Y CB 1.703 39.661 38.460 -0.836 0.000 1.230 123 Y HN -0.310 nan 8.280 nan 0.000 0.455 124 T N -2.076 112.543 114.554 0.109 0.000 2.922 124 T HA 0.191 4.541 4.350 0.001 0.000 0.285 124 T C 1.021 175.868 174.700 0.244 0.000 1.005 124 T CA -0.683 61.517 62.100 0.167 0.000 1.061 124 T CB 1.592 70.501 68.868 0.069 0.000 1.007 124 T HN 0.870 nan 8.240 nan 0.000 0.502 125 E N 0.453 120.775 120.200 0.203 0.000 2.169 125 E HA -0.295 4.055 4.350 0.001 0.000 0.202 125 E C 1.604 178.198 176.600 -0.009 0.000 1.016 125 E CA 1.757 58.123 56.400 -0.056 0.000 0.817 125 E CB -0.011 29.359 29.700 -0.550 0.000 0.736 125 E HN 0.760 nan 8.360 nan 0.000 0.462 126 E N 0.582 120.773 120.200 -0.015 0.000 2.031 126 E HA -0.181 4.170 4.350 0.001 0.000 0.193 126 E C 1.877 178.473 176.600 -0.006 0.000 0.994 126 E CA 1.448 57.835 56.400 -0.022 0.000 0.800 126 E CB -0.106 29.581 29.700 -0.022 0.000 0.752 126 E HN 0.359 nan 8.360 nan 0.000 0.447 127 E N -0.619 119.587 120.200 0.009 0.000 2.085 127 E HA -0.193 4.158 4.350 0.001 0.000 0.194 127 E C 1.894 178.442 176.600 -0.088 0.000 0.994 127 E CA 0.955 57.346 56.400 -0.016 0.000 0.801 127 E CB -0.265 29.476 29.700 0.069 0.000 0.743 127 E HN 0.216 nan 8.360 nan 0.000 0.453 128 F N 1.265 121.245 119.950 0.050 0.000 2.134 128 F HA -0.140 4.388 4.527 0.001 0.000 0.299 128 F C 2.342 178.121 175.800 -0.034 0.000 1.097 128 F CA 1.169 59.185 58.000 0.027 0.000 1.264 128 F CB -0.251 38.885 39.000 0.226 0.000 1.001 128 F HN -0.156 nan 8.300 nan 0.000 0.479 129 K N -0.258 120.211 120.400 0.116 0.000 2.103 129 K HA -0.199 4.121 4.320 0.001 0.000 0.207 129 K C 2.170 178.702 176.600 -0.113 0.000 1.048 129 K CA 1.258 57.545 56.287 -0.000 0.000 0.930 129 K CB -0.197 32.281 32.500 -0.038 0.000 0.716 129 K HN 0.224 nan 8.250 nan 0.000 0.444 130 Q N -0.563 119.127 119.800 -0.184 0.000 2.269 130 Q HA 0.024 4.364 4.340 0.001 0.000 0.201 130 Q C 1.919 177.421 176.000 -0.830 0.000 0.946 130 Q CA 0.693 56.259 55.803 -0.394 0.000 0.877 130 Q CB 0.218 28.786 28.738 -0.283 0.000 0.963 130 Q HN 0.374 nan 8.270 nan 0.000 0.472 131 M N 0.326 119.606 119.600 -0.534 0.000 2.175 131 M HA -0.169 4.311 4.480 0.001 0.000 0.264 131 M C 1.514 177.596 176.300 -0.364 0.000 1.063 131 M CA 1.144 56.157 55.300 -0.479 0.000 1.119 131 M CB -0.192 32.329 32.600 -0.131 0.000 1.377 131 M HN 0.043 nan 8.290 nan 0.000 0.415 132 D N 0.024 120.303 120.400 -0.202 0.000 2.264 132 D HA -0.116 4.524 4.640 0.001 0.000 0.208 132 D C 1.901 178.108 176.300 -0.155 0.000 0.966 132 D CA 1.657 55.605 54.000 -0.087 0.000 0.864 132 D CB 0.043 40.854 40.800 0.018 0.000 0.933 132 D HN 0.405 nan 8.370 nan 0.000 0.499 133 T N -2.594 111.788 114.554 -0.286 0.000 3.085 133 T HA -0.047 4.303 4.350 0.001 0.000 0.263 133 T C 1.693 176.327 174.700 -0.110 0.000 1.127 133 T CA 0.281 62.256 62.100 -0.209 0.000 1.103 133 T CB -0.428 68.314 68.868 -0.209 0.000 0.921 133 T HN -0.081 nan 8.240 nan 0.000 0.510 134 F N 1.460 121.338 119.950 -0.121 0.000 2.270 134 F HA 0.468 4.996 4.527 0.001 0.000 0.295 134 F C 1.320 176.971 175.800 -0.247 0.000 1.087 134 F CA -1.806 56.097 58.000 -0.162 0.000 1.365 134 F CB -0.718 38.151 39.000 -0.218 0.000 1.056 134 F HN 0.150 nan 8.300 nan 0.000 0.506 135 I N 1.672 122.122 120.570 -0.201 0.000 2.845 135 I HA -0.123 4.047 4.170 0.001 0.000 0.296 135 I C -0.009 176.013 176.117 -0.158 0.000 1.216 135 I CA 0.672 61.759 61.300 -0.355 0.000 1.438 135 I CB 0.125 37.882 38.000 -0.405 0.000 1.342 135 I HN -0.012 nan 8.210 nan 0.000 0.577 136 D N 5.595 125.980 120.400 -0.025 0.000 2.408 136 D HA 0.156 4.796 4.640 0.001 0.000 0.261 136 D C 0.890 177.175 176.300 -0.025 0.000 1.190 136 D CA -0.394 53.596 54.000 -0.017 0.000 0.910 136 D CB 0.469 41.308 40.800 0.065 0.000 1.097 136 D HN 0.380 nan 8.370 nan 0.000 0.522 137 H N 1.547 120.640 119.070 0.039 0.000 2.518 137 H HA -0.075 4.482 4.556 0.001 0.000 0.292 137 H C 0.475 175.849 175.328 0.076 0.000 1.068 137 H CA 0.867 56.914 56.048 -0.002 0.000 1.275 137 H CB 0.352 30.042 29.762 -0.120 0.000 1.375 137 H HN 0.453 nan 8.280 nan 0.000 0.563 138 D N 0.145 120.665 120.400 0.199 0.000 2.312 138 D HA -0.053 4.587 4.640 0.001 0.000 0.211 138 D C 2.100 178.482 176.300 0.136 0.000 0.964 138 D CA 0.245 54.369 54.000 0.207 0.000 0.877 138 D CB -0.007 40.901 40.800 0.180 0.000 0.924 138 D HN 0.340 nan 8.370 nan 0.000 0.515 139 R N 0.652 121.195 120.500 0.072 0.000 2.152 139 R HA -0.102 4.238 4.340 0.001 0.000 0.232 139 R C 1.111 177.391 176.300 -0.035 0.000 1.117 139 R CA 0.764 56.838 56.100 -0.044 0.000 0.981 139 R CB -0.253 29.959 30.300 -0.147 0.000 0.870 139 R HN 0.172 nan 8.270 nan 0.000 0.451 140 D N 0.833 121.328 120.400 0.158 0.000 2.239 140 D HA -0.174 4.466 4.640 0.001 0.000 0.202 140 D C 1.441 177.952 176.300 0.352 0.000 0.993 140 D CA 1.256 55.471 54.000 0.357 0.000 0.874 140 D CB -0.017 41.015 40.800 0.386 0.000 0.922 140 D HN 0.046 nan 8.370 nan 0.000 0.464 141 M N -0.351 119.392 119.600 0.239 0.000 2.630 141 M HA -0.038 4.443 4.480 0.001 0.000 0.254 141 M C 1.567 177.957 176.300 0.149 0.000 1.092 141 M CA 0.841 56.261 55.300 0.200 0.000 1.087 141 M CB -0.361 32.325 32.600 0.143 0.000 1.453 141 M HN 0.008 nan 8.290 nan 0.000 0.509 142 T N -3.466 111.134 114.554 0.077 0.000 3.069 142 T HA 0.224 4.574 4.350 0.001 0.000 0.252 142 T C 0.313 175.173 174.700 0.267 0.000 1.053 142 T CA -0.407 61.764 62.100 0.119 0.000 0.964 142 T CB -0.425 68.493 68.868 0.083 0.000 1.005 142 T HN -0.027 nan 8.240 nan 0.000 0.532 143 F N 4.122 124.313 119.950 0.402 0.000 2.529 143 F HA 0.391 4.918 4.527 0.001 0.000 0.365 143 F C 1.436 177.344 175.800 0.180 0.000 1.102 143 F CA -0.969 57.170 58.000 0.232 0.000 1.271 143 F CB 0.330 39.434 39.000 0.173 0.000 1.120 143 F HN 0.155 nan 8.300 nan 0.000 0.579 144 S N 2.983 118.751 115.700 0.113 0.000 2.624 144 S HA 0.090 4.560 4.470 0.001 0.000 0.263 144 S C 0.838 175.396 174.600 -0.070 0.000 1.287 144 S CA -0.583 57.415 58.200 -0.338 0.000 0.990 144 S CB 0.415 63.349 63.200 -0.444 0.000 0.950 144 S HN 0.646 nan 8.310 nan 0.000 0.561 145 Y N 1.555 121.731 120.300 -0.207 0.000 2.145 145 Y HA -0.052 4.498 4.550 0.001 0.000 0.286 145 Y C 2.567 178.420 175.900 -0.079 0.000 1.145 145 Y CA 1.808 59.852 58.100 -0.093 0.000 1.148 145 Y CB -1.194 37.219 38.460 -0.078 0.000 0.981 145 Y HN 0.822 nan 8.280 nan 0.000 0.507 146 A N 0.548 123.242 122.820 -0.209 0.000 1.940 146 A HA -0.174 4.146 4.320 0.001 0.000 0.219 146 A C 2.468 179.895 177.584 -0.262 0.000 1.176 146 A CA 2.120 54.001 52.037 -0.260 0.000 0.631 146 A CB -1.534 17.387 19.000 -0.132 0.000 0.814 146 A HN 0.623 nan 8.150 nan 0.000 0.446 147 A N -0.499 122.204 122.820 -0.194 0.000 1.851 147 A HA -0.063 4.258 4.320 0.001 0.000 0.216 147 A C 2.242 179.633 177.584 -0.322 0.000 1.195 147 A CA 2.006 53.925 52.037 -0.197 0.000 0.622 147 A CB -1.141 17.845 19.000 -0.024 0.000 0.831 147 A HN 0.474 nan 8.150 nan 0.000 0.444 148 V N -0.033 119.715 119.914 -0.276 0.000 2.332 148 V HA -0.271 3.849 4.120 0.001 0.000 0.248 148 V C 2.540 178.457 176.094 -0.296 0.000 1.055 148 V CA 2.501 64.624 62.300 -0.295 0.000 1.038 148 V CB -0.711 31.053 31.823 -0.100 0.000 0.651 148 V HN 0.550 nan 8.190 nan 0.000 0.450 149 K N -0.281 119.898 120.400 -0.369 0.000 2.103 149 K HA -0.183 4.138 4.320 0.001 0.000 0.207 149 K C 2.320 178.778 176.600 -0.237 0.000 1.048 149 K CA 1.368 57.455 56.287 -0.334 0.000 0.930 149 K CB -0.234 31.984 32.500 -0.470 0.000 0.716 149 K HN 0.438 nan 8.250 nan 0.000 0.444 150 Q N 0.074 119.714 119.800 -0.266 0.000 2.016 150 Q HA -0.104 4.237 4.340 0.001 0.000 0.200 150 Q C 2.238 178.056 176.000 -0.303 0.000 0.978 150 Q CA 1.274 56.922 55.803 -0.259 0.000 0.833 150 Q CB -0.333 28.220 28.738 -0.309 0.000 0.895 150 Q HN 0.341 nan 8.270 nan 0.000 0.427 151 L N 0.915 121.889 121.223 -0.414 0.000 2.051 151 L HA -0.254 4.086 4.340 0.001 0.000 0.214 151 L C 2.573 179.365 176.870 -0.130 0.000 1.076 151 L CA 1.677 56.307 54.840 -0.350 0.000 0.758 151 L CB -0.482 41.318 42.059 -0.432 0.000 0.890 151 L HN 0.361 nan 8.230 nan 0.000 0.433 152 E N -0.128 119.987 120.200 -0.140 0.000 2.107 152 E HA -0.151 4.200 4.350 0.001 0.000 0.191 152 E C 2.105 178.685 176.600 -0.033 0.000 0.982 152 E CA 1.091 57.446 56.400 -0.075 0.000 0.809 152 E CB -0.030 29.621 29.700 -0.082 0.000 0.756 152 E HN 0.469 nan 8.360 nan 0.000 0.459 153 G N 0.184 108.961 108.800 -0.039 0.000 2.539 153 G HA2 -0.080 3.880 3.960 0.001 0.000 0.215 153 G HA3 -0.080 3.880 3.960 0.001 0.000 0.215 153 G C 1.554 176.482 174.900 0.047 0.000 1.141 153 G CA 0.124 45.222 45.100 -0.002 0.000 0.806 153 G HN 0.024 nan 8.290 nan 0.000 0.533 154 K N -1.220 119.234 120.400 0.090 0.000 2.436 154 K HA 0.246 4.566 4.320 0.001 0.000 0.198 154 K C 1.307 178.125 176.600 0.363 0.000 1.174 154 K CA 0.113 56.530 56.287 0.216 0.000 0.951 154 K CB 0.404 33.066 32.500 0.269 0.000 1.040 154 K HN 0.282 nan 8.250 nan 0.000 0.536 155 Y N 1.097 121.390 120.300 -0.011 0.000 2.576 155 Y HA 0.278 4.828 4.550 0.001 0.000 0.282 155 Y C 0.989 176.900 175.900 0.018 0.000 1.139 155 Y CA -0.489 57.609 58.100 -0.003 0.000 1.265 155 Y CB -0.026 38.406 38.460 -0.046 0.000 1.376 155 Y HN -0.225 nan 8.280 nan 0.000 0.511 156 L N 1.544 122.872 121.223 0.175 0.000 2.410 156 L HA 0.140 4.481 4.340 0.001 0.000 0.273 156 L C -0.134 176.825 176.870 0.149 0.000 1.144 156 L CA -0.540 54.381 54.840 0.136 0.000 0.863 156 L CB 0.322 42.424 42.059 0.072 0.000 1.140 156 L HN -0.229 nan 8.230 nan 0.000 0.463 157 V N 4.767 124.803 119.914 0.204 0.000 2.475 157 V HA -0.033 4.087 4.120 0.001 0.000 0.292 157 V C 0.536 176.803 176.094 0.288 0.000 1.003 157 V CA 0.253 62.694 62.300 0.234 0.000 1.120 157 V CB -0.053 31.936 31.823 0.277 0.000 0.937 157 V HN 0.906 nan 8.190 nan 0.000 0.476 158 Q N 4.584 124.526 119.800 0.237 0.000 2.615 158 Q HA 0.336 4.677 4.340 0.001 0.000 0.298 158 Q C -0.817 175.321 176.000 0.229 0.000 1.023 158 Q CA -0.989 54.925 55.803 0.186 0.000 0.768 158 Q CB 1.883 30.609 28.738 -0.021 0.000 1.500 158 Q HN 0.566 nan 8.270 nan 0.000 0.441 159 N N 0.672 119.457 118.700 0.142 0.000 2.470 159 N HA 0.039 4.780 4.740 0.001 0.000 0.268 159 N C 0.828 176.376 175.510 0.062 0.000 1.136 159 N CA 0.012 53.154 53.050 0.153 0.000 0.961 159 N CB 0.768 39.309 38.487 0.090 0.000 1.067 159 N HN 0.486 nan 8.380 nan 0.000 0.468 160 R N 2.572 123.110 120.500 0.065 0.000 2.080 160 R HA -0.100 4.240 4.340 0.001 0.000 0.236 160 R C 1.715 178.029 176.300 0.024 0.000 1.137 160 R CA 1.343 57.467 56.100 0.039 0.000 0.943 160 R CB -0.731 29.590 30.300 0.035 0.000 0.846 160 R HN 0.446 nan 8.270 nan 0.000 0.431 161 V N 0.727 120.656 119.914 0.025 0.000 2.249 161 V HA -0.176 3.944 4.120 0.001 0.000 0.239 161 V C 2.727 178.826 176.094 0.008 0.000 1.038 161 V CA 2.256 64.566 62.300 0.016 0.000 1.005 161 V CB -1.272 30.561 31.823 0.017 0.000 0.646 161 V HN 0.476 nan 8.190 nan 0.000 0.455 162 T N -0.960 113.598 114.554 0.006 0.000 2.803 162 T HA 0.009 4.359 4.350 0.001 0.000 0.269 162 T C 1.530 176.212 174.700 -0.031 0.000 1.052 162 T CA 1.450 63.543 62.100 -0.011 0.000 1.136 162 T CB -0.542 68.317 68.868 -0.015 0.000 0.864 162 T HN 1.529 nan 8.240 nan 0.000 0.467 163 G N 1.091 109.870 108.800 -0.036 0.000 2.212 163 G HA2 -0.215 3.745 3.960 0.001 0.000 0.255 163 G HA3 -0.215 3.745 3.960 0.001 0.000 0.255 163 G C -0.324 174.507 174.900 -0.116 0.000 1.062 163 G CA 0.153 45.222 45.100 -0.052 0.000 0.815 163 G HN 0.801 nan 8.290 nan 0.000 0.497 164 E N 0.110 120.188 120.200 -0.204 0.000 2.073 164 E HA 0.443 4.794 4.350 0.001 0.000 0.269 164 E C 0.460 176.693 176.600 -0.612 0.000 0.917 164 E CA -1.002 55.171 56.400 -0.379 0.000 0.757 164 E CB 0.351 29.801 29.700 -0.417 0.000 1.111 164 E HN 0.268 nan 8.360 nan 0.000 0.410 165 I N 4.419 124.740 120.570 -0.416 0.000 2.741 165 I HA -0.184 3.986 4.170 0.001 0.000 0.288 165 I C 0.286 176.119 176.117 -0.474 0.000 1.192 165 I CA 0.832 61.920 61.300 -0.354 0.000 1.426 165 I CB 0.171 38.031 38.000 -0.234 0.000 1.367 165 I HN 0.617 nan 8.210 nan 0.000 0.563 166 Y N 3.994 124.242 120.300 -0.086 0.000 2.444 166 Y HA 0.214 4.764 4.550 0.001 0.000 0.249 166 Y C 0.625 176.538 175.900 0.023 0.000 1.134 166 Y CA -0.320 57.740 58.100 -0.066 0.000 1.261 166 Y CB 0.090 38.527 38.460 -0.039 0.000 1.143 166 Y HN 0.595 nan 8.280 nan 0.000 0.523 167 E N -1.102 119.180 120.200 0.135 0.000 2.458 167 E HA 0.611 4.962 4.350 0.001 0.000 0.278 167 E C -0.951 175.723 176.600 0.123 0.000 1.004 167 E CA -1.206 55.360 56.400 0.276 0.000 0.823 167 E CB 1.650 31.659 29.700 0.515 0.000 1.396 167 E HN -0.089 nan 8.360 nan 0.000 0.463 168 S N -0.532 115.321 115.700 0.254 0.000 2.607 168 S HA 0.630 5.100 4.470 0.001 0.000 0.303 168 S C 0.955 175.633 174.600 0.130 0.000 1.086 168 S CA -0.267 57.997 58.200 0.105 0.000 0.995 168 S CB 1.546 64.761 63.200 0.024 0.000 1.084 168 S HN 0.831 nan 8.310 nan 0.000 0.507 169 A N 1.512 124.397 122.820 0.107 0.000 1.927 169 A HA -0.158 4.162 4.320 0.001 0.000 0.220 169 A C 2.162 179.831 177.584 0.142 0.000 1.185 169 A CA 1.694 53.773 52.037 0.070 0.000 0.639 169 A CB -0.980 18.127 19.000 0.178 0.000 0.820 169 A HN 0.813 nan 8.150 nan 0.000 0.451 170 Q N -1.372 118.601 119.800 0.288 0.000 2.224 170 Q HA -0.099 4.241 4.340 0.001 0.000 0.203 170 Q C 1.736 177.969 176.000 0.388 0.000 0.970 170 Q CA 1.001 57.045 55.803 0.401 0.000 0.865 170 Q CB -0.485 28.408 28.738 0.258 0.000 0.922 170 Q HN 0.727 nan 8.270 nan 0.000 0.445 171 F N 0.556 120.691 119.950 0.309 0.000 2.206 171 F HA -0.071 4.456 4.527 0.001 0.000 0.298 171 F C 2.241 178.182 175.800 0.235 0.000 1.090 171 F CA 0.121 58.280 58.000 0.265 0.000 1.323 171 F CB -1.083 38.083 39.000 0.277 0.000 1.028 171 F HN 0.051 nan 8.300 nan 0.000 0.492 172 L N -1.029 120.412 121.223 0.363 0.000 1.990 172 L HA -0.306 4.034 4.340 0.001 0.000 0.213 172 L C 2.435 179.443 176.870 0.231 0.000 1.072 172 L CA 1.793 56.745 54.840 0.188 0.000 0.755 172 L CB -0.665 41.403 42.059 0.015 0.000 0.889 172 L HN 0.022 nan 8.230 nan 0.000 0.432 173 Y N -0.568 119.940 120.300 0.347 0.000 2.145 173 Y HA -0.265 4.286 4.550 0.001 0.000 0.286 173 Y C 2.377 178.545 175.900 0.447 0.000 1.145 173 Y CA 1.515 59.828 58.100 0.353 0.000 1.148 173 Y CB -0.708 37.932 38.460 0.300 0.000 0.981 173 Y HN 0.221 nan 8.280 nan 0.000 0.507 174 I N -0.141 120.815 120.570 0.643 0.000 2.179 174 I HA -0.264 3.907 4.170 0.001 0.000 0.242 174 I C 2.013 178.284 176.117 0.256 0.000 1.088 174 I CA 1.532 63.064 61.300 0.387 0.000 1.357 174 I CB -0.702 37.386 38.000 0.147 0.000 1.051 174 I HN 0.130 nan 8.210 nan 0.000 0.409 175 L N -1.446 119.899 121.223 0.204 0.000 2.156 175 L HA -0.119 4.222 4.340 0.001 0.000 0.208 175 L C 2.480 179.384 176.870 0.055 0.000 1.095 175 L CA 0.379 55.252 54.840 0.056 0.000 0.770 175 L CB -0.672 41.330 42.059 -0.096 0.000 0.914 175 L HN 0.036 nan 8.230 nan 0.000 0.439 176 V N 0.459 120.453 119.914 0.132 0.000 2.255 176 V HA -0.357 3.764 4.120 0.001 0.000 0.247 176 V C 2.822 178.982 176.094 0.110 0.000 1.051 176 V CA 2.049 64.406 62.300 0.097 0.000 1.018 176 V CB -0.828 31.112 31.823 0.196 0.000 0.641 176 V HN 0.503 nan 8.190 nan 0.000 0.445 177 A N -0.199 122.803 122.820 0.303 0.000 1.883 177 A HA -0.192 4.128 4.320 0.001 0.000 0.217 177 A C 2.436 180.154 177.584 0.222 0.000 1.186 177 A CA 2.412 54.657 52.037 0.347 0.000 0.624 177 A CB -0.943 18.383 19.000 0.543 0.000 0.822 177 A HN 0.619 nan 8.150 nan 0.000 0.444 178 A N -1.001 121.902 122.820 0.139 0.000 1.883 178 A HA -0.210 4.111 4.320 0.001 0.000 0.217 178 A C 2.327 180.050 177.584 0.232 0.000 1.186 178 A CA 1.841 53.934 52.037 0.092 0.000 0.624 178 A CB -1.325 17.530 19.000 -0.240 0.000 0.822 178 A HN 0.637 nan 8.150 nan 0.000 0.444 179 C N -0.915 118.456 119.300 0.118 0.000 2.440 179 C HA 0.045 4.505 4.460 0.001 0.000 0.278 179 C C 2.612 177.565 174.990 -0.062 0.000 1.295 179 C CA 0.795 59.908 59.018 0.158 0.000 1.738 179 C CB -1.392 26.361 27.740 0.022 0.000 1.987 179 C HN 0.605 nan 8.230 nan 0.000 0.492 180 L N -0.979 120.082 121.223 -0.269 0.000 2.131 180 L HA -0.001 4.339 4.340 0.001 0.000 0.206 180 L C 1.529 178.045 176.870 -0.589 0.000 1.087 180 L CA 1.556 56.063 54.840 -0.555 0.000 0.767 180 L CB -0.414 41.169 42.059 -0.792 0.000 0.917 180 L HN 0.280 nan 8.230 nan 0.000 0.441 181 F N -0.814 118.985 119.950 -0.251 0.000 2.645 181 F HA 0.040 4.568 4.527 0.001 0.000 0.300 181 F C 2.291 178.083 175.800 -0.013 0.000 1.115 181 F CA 0.097 57.900 58.000 -0.328 0.000 1.355 181 F CB -0.219 38.493 39.000 -0.481 0.000 1.026 181 F HN 0.019 nan 8.300 nan 0.000 0.536 182 S N -0.688 115.141 115.700 0.215 0.000 2.537 182 S HA -0.155 4.315 4.470 0.001 0.000 0.240 182 S C 1.346 176.003 174.600 0.095 0.000 0.981 182 S CA 1.201 59.535 58.200 0.223 0.000 0.948 182 S CB -0.463 62.948 63.200 0.352 0.000 0.759 182 S HN 0.554 nan 8.310 nan 0.000 0.531 183 N N -0.908 117.901 118.700 0.181 0.000 2.184 183 N HA 0.165 4.905 4.740 0.001 0.000 0.206 183 N C -0.919 174.702 175.510 0.184 0.000 1.151 183 N CA -0.173 52.959 53.050 0.137 0.000 0.878 183 N CB 0.342 38.885 38.487 0.094 0.000 1.014 183 N HN 0.309 nan 8.380 nan 0.000 0.512 184 Y N 2.453 122.766 120.300 0.021 0.000 2.457 184 Y HA 0.144 4.694 4.550 0.001 0.000 0.341 184 Y C -1.612 174.303 175.900 0.026 0.000 1.240 184 Y CA -1.988 56.133 58.100 0.034 0.000 1.437 184 Y CB -0.198 38.321 38.460 0.097 0.000 1.328 184 Y HN 0.097 nan 8.280 nan 0.000 0.588 185 P HA 0.023 nan 4.420 nan 0.000 0.269 185 P C 0.515 177.869 177.300 0.090 0.000 1.217 185 P CA -0.058 63.077 63.100 0.057 0.000 0.783 185 P CB 0.718 32.434 31.700 0.027 0.000 0.898 186 R N 1.234 121.762 120.500 0.047 0.000 2.117 186 R HA -0.190 4.150 4.340 0.001 0.000 0.243 186 R C 2.141 178.481 176.300 0.067 0.000 1.143 186 R CA 1.785 57.913 56.100 0.046 0.000 0.968 186 R CB -0.177 30.135 30.300 0.019 0.000 0.863 186 R HN 0.547 nan 8.270 nan 0.000 0.444 187 E N -0.552 119.685 120.200 0.061 0.000 2.070 187 E HA -0.206 4.144 4.350 0.001 0.000 0.197 187 E C 1.694 178.340 176.600 0.077 0.000 1.004 187 E CA 2.167 58.600 56.400 0.057 0.000 0.805 187 E CB -0.597 29.128 29.700 0.043 0.000 0.744 187 E HN 0.536 nan 8.360 nan 0.000 0.451 188 T N -1.944 112.695 114.554 0.141 0.000 2.990 188 T HA 0.166 4.516 4.350 0.001 0.000 0.249 188 T C 1.940 176.788 174.700 0.246 0.000 1.039 188 T CA 0.286 62.497 62.100 0.185 0.000 1.036 188 T CB 0.217 69.293 68.868 0.347 0.000 0.994 188 T HN 0.118 nan 8.240 nan 0.000 0.489 189 R N 1.085 121.748 120.500 0.271 0.000 2.096 189 R HA 0.031 4.372 4.340 0.001 0.000 0.240 189 R C 2.223 178.629 176.300 0.176 0.000 1.139 189 R CA 1.465 57.723 56.100 0.262 0.000 0.952 189 R CB -0.659 29.778 30.300 0.228 0.000 0.854 189 R HN 0.376 nan 8.270 nan 0.000 0.436 190 L N 0.819 122.138 121.223 0.161 0.000 2.201 190 L HA -0.155 4.185 4.340 0.001 0.000 0.212 190 L C 2.657 179.555 176.870 0.047 0.000 1.105 190 L CA 1.586 56.544 54.840 0.196 0.000 0.775 190 L CB -0.481 41.736 42.059 0.264 0.000 0.913 190 L HN 0.546 nan 8.230 nan 0.000 0.440 191 Q N -1.480 118.278 119.800 -0.069 0.000 2.432 191 Q HA -0.165 4.175 4.340 0.001 0.000 0.205 191 Q C 1.813 177.578 176.000 -0.391 0.000 0.945 191 Q CA 0.763 56.407 55.803 -0.266 0.000 0.924 191 Q CB -0.112 28.482 28.738 -0.241 0.000 1.016 191 Q HN 0.350 nan 8.270 nan 0.000 0.503 192 Y N 1.093 121.191 120.300 -0.337 0.000 2.130 192 Y HA -0.178 4.373 4.550 0.001 0.000 0.287 192 Y C 2.558 178.044 175.900 -0.690 0.000 1.124 192 Y CA 1.263 58.954 58.100 -0.682 0.000 1.118 192 Y CB -0.478 37.358 38.460 -1.040 0.000 0.994 192 Y HN -0.086 nan 8.280 nan 0.000 0.497 193 V N 0.691 120.446 119.914 -0.265 0.000 2.250 193 V HA -0.433 3.688 4.120 0.001 0.000 0.253 193 V C 2.401 178.454 176.094 -0.068 0.000 1.065 193 V CA 2.532 64.808 62.300 -0.040 0.000 1.039 193 V CB -0.732 31.162 31.823 0.118 0.000 0.647 193 V HN 0.365 nan 8.190 nan 0.000 0.446 194 K N -0.291 119.898 120.400 -0.352 0.000 2.002 194 K HA -0.189 4.132 4.320 0.001 0.000 0.209 194 K C 2.439 178.867 176.600 -0.287 0.000 1.048 194 K CA 1.573 57.469 56.287 -0.651 0.000 0.930 194 K CB -0.183 31.388 32.500 -1.548 0.000 0.714 194 K HN 0.349 nan 8.250 nan 0.000 0.438 195 R N -0.482 119.844 120.500 -0.291 0.000 2.105 195 R HA -0.153 4.187 4.340 0.001 0.000 0.239 195 R C 2.324 178.573 176.300 -0.085 0.000 1.135 195 R CA 1.555 57.533 56.100 -0.204 0.000 0.967 195 R CB -0.414 29.736 30.300 -0.248 0.000 0.861 195 R HN 0.277 nan 8.270 nan 0.000 0.442 196 F N 0.422 120.269 119.950 -0.172 0.000 2.206 196 F HA -0.205 4.322 4.527 0.001 0.000 0.298 196 F C 2.241 178.026 175.800 -0.025 0.000 1.090 196 F CA 1.003 58.971 58.000 -0.053 0.000 1.323 196 F CB -0.374 38.654 39.000 0.047 0.000 1.028 196 F HN -0.030 nan 8.300 nan 0.000 0.492 197 Y N 1.258 121.554 120.300 -0.007 0.000 2.128 197 Y HA -0.248 4.302 4.550 0.001 0.000 0.284 197 Y C 2.065 177.820 175.900 -0.240 0.000 1.154 197 Y CA 2.176 60.234 58.100 -0.069 0.000 1.149 197 Y CB -0.834 37.636 38.460 0.017 0.000 0.976 197 Y HN 0.048 nan 8.280 nan 0.000 0.505 198 D N 0.462 120.675 120.400 -0.310 0.000 2.087 198 D HA -0.220 4.420 4.640 0.001 0.000 0.192 198 D C 2.420 178.421 176.300 -0.497 0.000 0.993 198 D CA 1.867 55.616 54.000 -0.418 0.000 0.828 198 D CB -0.985 39.686 40.800 -0.214 0.000 0.968 198 D HN 0.467 nan 8.370 nan 0.000 0.448 199 A N 0.657 123.236 122.820 -0.401 0.000 1.896 199 A HA -0.258 4.063 4.320 0.001 0.000 0.220 199 A C 2.516 179.793 177.584 -0.512 0.000 1.206 199 A CA 3.349 55.150 52.037 -0.392 0.000 0.647 199 A CB -1.200 17.598 19.000 -0.337 0.000 0.828 199 A HN 0.260 nan 8.150 nan 0.000 0.455 200 V N -1.718 117.764 119.914 -0.720 0.000 2.407 200 V HA -0.119 4.002 4.120 0.001 0.000 0.245 200 V C 2.411 177.906 176.094 -0.998 0.000 1.041 200 V CA 2.305 64.171 62.300 -0.723 0.000 1.040 200 V CB -1.320 30.107 31.823 -0.660 0.000 0.671 200 V HN 0.768 nan 8.190 nan 0.000 0.455 201 S N 1.710 116.630 115.700 -1.300 0.000 2.481 201 S HA -0.095 4.375 4.470 0.001 0.000 0.231 201 S C 1.626 175.465 174.600 -1.268 0.000 0.996 201 S CA 1.097 58.434 58.200 -1.438 0.000 0.942 201 S CB -1.069 61.377 63.200 -1.257 0.000 0.768 201 S HN 0.898 nan 8.310 nan 0.000 0.520 202 T N -1.384 112.581 114.554 -0.981 0.000 3.264 202 T HA 0.394 4.744 4.350 0.001 0.000 0.257 202 T C 0.058 174.406 174.700 -0.587 0.000 0.976 202 T CA -0.782 60.805 62.100 -0.855 0.000 0.908 202 T CB -1.363 67.215 68.868 -0.483 0.000 1.082 202 T HN 0.230 nan 8.240 nan 0.000 0.567 203 F N -0.114 119.690 119.950 -0.243 0.000 3.105 203 F HA -0.242 4.285 4.527 0.001 0.000 0.280 203 F C 1.204 176.961 175.800 -0.071 0.000 0.894 203 F CA 0.280 58.209 58.000 -0.117 0.000 0.992 203 F CB -2.525 36.447 39.000 -0.047 0.000 1.047 203 F HN 0.328 nan 8.300 nan 0.000 0.607 204 K N 0.053 120.438 120.400 -0.025 0.000 2.128 204 K HA 0.309 4.629 4.320 0.001 0.000 0.202 204 K C 0.813 177.448 176.600 0.059 0.000 1.050 204 K CA 1.003 57.297 56.287 0.012 0.000 0.966 204 K CB 0.369 32.833 32.500 -0.060 0.000 0.759 204 K HN 0.347 nan 8.250 nan 0.000 0.454 205 I N -0.126 120.427 120.570 -0.028 0.000 2.530 205 I HA 0.193 4.364 4.170 0.001 0.000 0.297 205 I C -0.516 175.607 176.117 0.011 0.000 1.011 205 I CA -0.686 60.612 61.300 -0.003 0.000 1.107 205 I CB 2.166 40.128 38.000 -0.064 0.000 1.285 205 I HN -0.127 nan 8.210 nan 0.000 0.436 206 S N 5.211 120.941 115.700 0.051 0.000 2.532 206 S HA 0.821 5.292 4.470 0.001 0.000 0.301 206 S C -0.877 173.783 174.600 0.100 0.000 1.083 206 S CA -0.442 57.826 58.200 0.114 0.000 1.025 206 S CB 1.136 64.407 63.200 0.119 0.000 1.056 206 S HN 0.314 nan 8.310 nan 0.000 0.494 207 L N 4.349 125.664 121.223 0.154 0.000 2.388 207 L HA 0.580 4.921 4.340 0.001 0.000 0.264 207 L C -2.206 174.725 176.870 0.101 0.000 0.998 207 L CA -1.877 53.028 54.840 0.109 0.000 0.817 207 L CB 1.910 44.037 42.059 0.114 0.000 1.338 207 L HN 0.447 nan 8.230 nan 0.000 0.414 208 P HA 0.027 nan 4.420 nan 0.000 0.266 208 P C 0.468 177.776 177.300 0.014 0.000 1.193 208 P CA -0.011 63.123 63.100 0.057 0.000 0.770 208 P CB 0.450 32.174 31.700 0.039 0.000 0.836 209 T N 3.113 117.690 114.554 0.039 0.000 2.665 209 T HA -0.115 4.235 4.350 0.001 0.000 0.268 209 T C -0.854 173.786 174.700 -0.100 0.000 1.035 209 T CA 2.413 64.488 62.100 -0.042 0.000 1.151 209 T CB -1.719 67.217 68.868 0.113 0.000 0.862 209 T HN 0.524 nan 8.240 nan 0.000 0.438 210 P HA 0.043 nan 4.420 nan 0.000 0.218 210 P C 1.413 178.806 177.300 0.156 0.000 1.149 210 P CA 0.845 63.986 63.100 0.068 0.000 0.817 210 P CB -0.186 31.572 31.700 0.097 0.000 0.785 211 I N -1.637 118.986 120.570 0.089 0.000 2.133 211 I HA -0.220 3.950 4.170 0.001 0.000 0.238 211 I C 2.365 178.436 176.117 -0.076 0.000 1.074 211 I CA 1.438 62.739 61.300 0.003 0.000 1.342 211 I CB -0.660 37.284 38.000 -0.094 0.000 1.053 211 I HN -0.107 nan 8.210 nan 0.000 0.404 212 M N 0.596 120.086 119.600 -0.184 0.000 2.159 212 M HA -0.153 4.327 4.480 0.001 0.000 0.263 212 M C 2.602 178.715 176.300 -0.311 0.000 1.063 212 M CA 1.994 57.113 55.300 -0.302 0.000 1.110 212 M CB -1.312 30.889 32.600 -0.666 0.000 1.374 212 M HN 0.413 nan 8.290 nan 0.000 0.411 213 S N -1.005 114.512 115.700 -0.305 0.000 2.461 213 S HA 0.054 4.524 4.470 0.001 0.000 0.228 213 S C 1.846 176.464 174.600 0.031 0.000 1.005 213 S CA 0.952 59.072 58.200 -0.132 0.000 0.942 213 S CB -0.349 62.800 63.200 -0.085 0.000 0.776 213 S HN 0.481 nan 8.310 nan 0.000 0.514 214 G N 0.590 109.458 108.800 0.113 0.000 2.768 214 G HA2 0.280 4.240 3.960 0.001 0.000 0.201 214 G HA3 0.280 4.240 3.960 0.001 0.000 0.201 214 G C 0.115 175.241 174.900 0.376 0.000 1.089 214 G CA -0.009 45.259 45.100 0.280 0.000 0.787 214 G HN 0.363 nan 8.290 nan 0.000 0.547 215 V N 3.136 123.169 119.914 0.199 0.000 2.416 215 V HA 0.274 4.394 4.120 0.001 0.000 0.267 215 V C 1.202 177.292 176.094 -0.006 0.000 1.007 215 V CA 1.490 63.752 62.300 -0.064 0.000 1.102 215 V CB -0.186 31.355 31.823 -0.470 0.000 1.035 215 V HN 0.745 nan 8.190 nan 0.000 0.473 216 R N 2.718 123.279 120.500 0.103 0.000 1.715 216 R HA -0.100 4.240 4.340 0.001 0.000 0.398 216 R C 0.152 176.465 176.300 0.023 0.000 0.227 216 R CA 0.706 56.789 56.100 -0.028 0.000 1.412 216 R CB -1.458 28.698 30.300 -0.238 0.000 1.898 216 R HN 0.678 nan 8.270 nan 0.000 0.205 217 T N -1.485 113.170 114.554 0.169 0.000 2.912 217 T HA 0.586 4.936 4.350 0.001 0.000 0.280 217 T C -1.991 172.820 174.700 0.186 0.000 0.989 217 T CA -1.511 60.702 62.100 0.187 0.000 0.995 217 T CB 1.925 70.894 68.868 0.169 0.000 1.077 217 T HN -0.152 nan 8.240 nan 0.000 0.531 218 P HA 0.048 nan 4.420 nan 0.000 0.229 218 P C 0.639 177.979 177.300 0.066 0.000 1.150 218 P CA 0.645 63.801 63.100 0.094 0.000 0.765 218 P CB -0.190 31.538 31.700 0.046 0.000 0.783 219 T N 0.066 114.656 114.554 0.059 0.000 2.828 219 T HA 0.233 4.583 4.350 0.001 0.000 0.290 219 T C 0.879 175.534 174.700 -0.075 0.000 1.019 219 T CA -0.337 61.727 62.100 -0.060 0.000 1.031 219 T CB 0.290 69.063 68.868 -0.158 0.000 1.001 219 T HN -0.130 nan 8.240 nan 0.000 0.531 220 R N 2.276 122.620 120.500 -0.260 0.000 2.615 220 R HA 0.188 4.528 4.340 0.001 0.000 0.448 220 R C -0.580 175.383 176.300 -0.560 0.000 1.009 220 R CA -0.145 55.808 56.100 -0.246 0.000 1.111 220 R CB 0.572 30.827 30.300 -0.075 0.000 1.461 220 R HN 0.660 nan 8.270 nan 0.000 0.587 221 Q N 0.131 119.386 119.800 -0.907 0.000 2.347 221 Q HA 0.419 4.759 4.340 0.001 0.000 0.262 221 Q C -0.448 174.979 176.000 -0.955 0.000 0.980 221 Q CA -0.240 55.176 55.803 -0.645 0.000 0.867 221 Q CB 1.061 29.590 28.738 -0.348 0.000 1.242 221 Q HN 0.037 nan 8.270 nan 0.000 0.453 222 F N -0.875 119.066 119.950 -0.015 0.000 2.960 222 F HA 0.185 4.712 4.527 0.001 0.000 0.345 222 F C 0.275 176.069 175.800 -0.010 0.000 1.147 222 F CA -0.437 57.554 58.000 -0.015 0.000 1.099 222 F CB 1.104 40.090 39.000 -0.024 0.000 1.219 222 F HN 0.253 nan 8.300 nan 0.000 0.525 223 S N 0.757 116.521 115.700 0.107 0.000 2.481 223 S HA 0.198 4.668 4.470 0.001 0.000 0.276 223 S C 1.208 175.841 174.600 0.054 0.000 1.247 223 S CA 0.101 58.351 58.200 0.082 0.000 1.053 223 S CB 0.893 64.155 63.200 0.102 0.000 0.925 223 S HN 0.356 nan 8.310 nan 0.000 0.491 224 S N 0.789 116.509 115.700 0.033 0.000 2.502 224 S HA 0.205 4.675 4.470 0.001 0.000 0.215 224 S C 0.623 175.216 174.600 -0.011 0.000 1.009 224 S CA -0.295 57.918 58.200 0.021 0.000 0.908 224 S CB -0.400 62.818 63.200 0.030 0.000 0.801 224 S HN 0.892 nan 8.310 nan 0.000 0.505 225 c N 0.592 119.162 118.600 -0.051 0.000 3.181 225 c HA 0.842 5.413 4.570 0.001 0.000 0.362 225 c C -0.953 173.033 174.090 -0.175 0.000 1.125 225 c CA -0.553 55.721 56.329 -0.092 0.000 1.265 225 c CB 1.071 43.547 42.510 -0.056 0.000 1.632 225 c HN 0.652 nan 8.230 nan 0.000 0.525 226 V N 1.472 121.244 119.914 -0.237 0.000 2.962 226 V HA 0.900 5.020 4.120 0.001 0.000 0.313 226 V C -1.262 174.709 176.094 -0.205 0.000 1.099 226 V CA -0.767 61.339 62.300 -0.324 0.000 0.971 226 V CB 1.769 33.170 31.823 -0.703 0.000 1.028 226 V HN 0.924 nan 8.190 nan 0.000 0.430 227 L N 4.322 125.437 121.223 -0.180 0.000 2.345 227 L HA 0.638 4.978 4.340 0.001 0.000 0.274 227 L C -0.426 176.368 176.870 -0.127 0.000 0.999 227 L CA 0.060 54.816 54.840 -0.141 0.000 0.849 227 L CB 1.272 43.241 42.059 -0.151 0.000 1.220 227 L HN 0.599 nan 8.230 nan 0.000 0.422 228 I N 1.846 122.348 120.570 -0.114 0.000 2.404 228 I HA 0.406 4.576 4.170 0.001 0.000 0.293 228 I C 0.022 176.078 176.117 -0.101 0.000 0.992 228 I CA -0.604 60.637 61.300 -0.099 0.000 1.149 228 I CB 1.908 39.847 38.000 -0.101 0.000 1.315 228 I HN 0.546 nan 8.210 nan 0.000 0.446 229 E N 5.217 125.372 120.200 -0.076 0.000 2.134 229 E HA 0.274 4.625 4.350 0.001 0.000 0.278 229 E C -1.456 175.122 176.600 -0.036 0.000 0.959 229 E CA -0.589 55.780 56.400 -0.052 0.000 0.783 229 E CB 1.697 31.372 29.700 -0.041 0.000 1.095 229 E HN 0.701 nan 8.360 nan 0.000 0.399 230 C N 4.939 124.223 119.300 -0.027 0.000 2.265 230 C HA 0.630 5.090 4.460 0.001 0.000 0.332 230 C C 0.847 175.857 174.990 0.033 0.000 1.248 230 C CA -0.322 58.699 59.018 0.004 0.000 1.727 230 C CB -0.967 26.789 27.740 0.026 0.000 2.348 230 C HN 0.838 nan 8.230 nan 0.000 0.519 231 G N 3.797 112.611 108.800 0.023 0.000 2.569 231 G HA2 0.228 4.188 3.960 0.001 0.000 0.249 231 G HA3 0.228 4.188 3.960 0.001 0.000 0.249 231 G C -0.045 174.859 174.900 0.006 0.000 1.216 231 G CA -0.068 45.040 45.100 0.013 0.000 0.845 231 G HN 0.835 nan 8.290 nan 0.000 0.568 232 D N -0.541 119.856 120.400 -0.006 0.000 2.688 232 D HA 0.309 4.949 4.640 0.001 0.000 0.228 232 D C 0.197 176.485 176.300 -0.021 0.000 1.116 232 D CA -0.083 53.910 54.000 -0.012 0.000 1.023 232 D CB -0.524 40.275 40.800 -0.001 0.000 1.100 232 D HN 0.444 nan 8.370 nan 0.000 0.487 233 S N 0.596 116.269 115.700 -0.045 0.000 2.548 233 S HA 0.194 4.664 4.470 0.001 0.000 0.278 233 S C 0.905 175.466 174.600 -0.066 0.000 1.150 233 S CA -0.904 57.275 58.200 -0.035 0.000 0.907 233 S CB 0.710 63.907 63.200 -0.005 0.000 1.108 233 S HN 0.127 nan 8.310 nan 0.000 0.459 234 L N 1.321 122.508 121.223 -0.060 0.000 2.089 234 L HA -0.170 4.170 4.340 0.001 0.000 0.213 234 L C 2.006 178.873 176.870 -0.005 0.000 1.079 234 L CA 1.724 56.532 54.840 -0.052 0.000 0.758 234 L CB -0.545 41.520 42.059 0.011 0.000 0.891 234 L HN 0.758 nan 8.230 nan 0.000 0.433 235 D N -0.920 119.486 120.400 0.009 0.000 2.104 235 D HA -0.196 4.444 4.640 0.001 0.000 0.194 235 D C 2.351 178.672 176.300 0.034 0.000 0.994 235 D CA 1.692 55.707 54.000 0.026 0.000 0.830 235 D CB -0.018 40.795 40.800 0.023 0.000 0.959 235 D HN 0.135 nan 8.370 nan 0.000 0.452 236 S N -0.508 115.206 115.700 0.024 0.000 2.371 236 S HA -0.050 4.420 4.470 0.001 0.000 0.224 236 S C 2.192 176.835 174.600 0.072 0.000 1.029 236 S CA 0.353 58.575 58.200 0.037 0.000 0.978 236 S CB -0.227 62.987 63.200 0.025 0.000 0.833 236 S HN 0.160 nan 8.310 nan 0.000 0.466 237 I N 2.210 122.821 120.570 0.068 0.000 2.113 237 I HA -0.282 3.888 4.170 0.001 0.000 0.242 237 I C 2.345 178.605 176.117 0.238 0.000 1.064 237 I CA 1.418 62.822 61.300 0.173 0.000 1.320 237 I CB -0.613 37.333 38.000 -0.091 0.000 1.028 237 I HN 0.290 nan 8.210 nan 0.000 0.406 238 N N 0.809 119.599 118.700 0.151 0.000 2.069 238 N HA -0.153 4.588 4.740 0.001 0.000 0.191 238 N C 1.842 177.437 175.510 0.141 0.000 1.031 238 N CA 1.799 54.948 53.050 0.165 0.000 0.852 238 N CB -0.414 38.140 38.487 0.112 0.000 1.018 238 N HN 0.431 nan 8.380 nan 0.000 0.423 239 A N -0.178 122.703 122.820 0.101 0.000 1.897 239 A HA -0.071 4.249 4.320 0.001 0.000 0.215 239 A C 2.335 179.959 177.584 0.067 0.000 1.181 239 A CA 1.827 53.907 52.037 0.072 0.000 0.620 239 A CB -1.008 18.023 19.000 0.052 0.000 0.821 239 A HN 0.302 nan 8.150 nan 0.000 0.443 240 T N -0.344 114.251 114.554 0.068 0.000 2.684 240 T HA -0.170 4.180 4.350 0.001 0.000 0.267 240 T C 2.296 177.004 174.700 0.013 0.000 1.036 240 T CA 1.858 63.953 62.100 -0.008 0.000 1.148 240 T CB -0.397 68.407 68.868 -0.107 0.000 0.863 240 T HN 0.555 nan 8.240 nan 0.000 0.436 241 S N 0.801 116.596 115.700 0.158 0.000 2.353 241 S HA -0.149 4.321 4.470 0.001 0.000 0.222 241 S C 2.370 177.013 174.600 0.072 0.000 1.035 241 S CA 1.866 60.152 58.200 0.142 0.000 1.025 241 S CB -0.617 62.684 63.200 0.168 0.000 0.902 241 S HN 0.457 nan 8.310 nan 0.000 0.440 242 S N 1.529 117.278 115.700 0.081 0.000 2.383 242 S HA -0.066 4.404 4.470 0.001 0.000 0.229 242 S C 2.194 176.812 174.600 0.031 0.000 1.030 242 S CA 1.189 59.421 58.200 0.052 0.000 1.002 242 S CB -0.778 62.455 63.200 0.053 0.000 0.829 242 S HN 0.730 nan 8.310 nan 0.000 0.467 243 A N 1.386 124.232 122.820 0.044 0.000 1.898 243 A HA -0.021 4.300 4.320 0.001 0.000 0.216 243 A C 2.073 179.727 177.584 0.117 0.000 1.181 243 A CA 1.173 53.252 52.037 0.070 0.000 0.620 243 A CB -0.696 18.366 19.000 0.103 0.000 0.819 243 A HN 0.478 nan 8.150 nan 0.000 0.442 244 I N -0.350 120.268 120.570 0.079 0.000 2.208 244 I HA -0.238 3.932 4.170 0.001 0.000 0.245 244 I C 2.347 178.507 176.117 0.071 0.000 1.097 244 I CA 1.137 62.483 61.300 0.077 0.000 1.363 244 I CB -0.349 37.656 38.000 0.009 0.000 1.051 244 I HN 0.160 nan 8.210 nan 0.000 0.413 245 V N 0.699 120.635 119.914 0.036 0.000 2.261 245 V HA -0.285 3.835 4.120 0.001 0.000 0.246 245 V C 2.558 178.648 176.094 -0.007 0.000 1.047 245 V CA 1.710 64.020 62.300 0.017 0.000 1.015 245 V CB -0.706 31.123 31.823 0.011 0.000 0.642 245 V HN 0.343 nan 8.190 nan 0.000 0.446 246 K N -0.783 119.587 120.400 -0.051 0.000 2.074 246 K HA -0.202 4.118 4.320 0.001 0.000 0.209 246 K C 2.074 178.557 176.600 -0.195 0.000 1.048 246 K CA 1.905 58.098 56.287 -0.157 0.000 0.926 246 K CB -0.554 31.790 32.500 -0.259 0.000 0.713 246 K HN 0.551 nan 8.250 nan 0.000 0.444 247 Y N 0.497 120.790 120.300 -0.012 0.000 2.286 247 Y HA -0.136 4.415 4.550 0.001 0.000 0.293 247 Y C 2.258 178.149 175.900 -0.015 0.000 1.124 247 Y CA 0.784 58.875 58.100 -0.014 0.000 1.178 247 Y CB -0.480 37.972 38.460 -0.013 0.000 1.010 247 Y HN -0.111 nan 8.280 nan 0.000 0.536 248 V N -2.143 117.850 119.914 0.133 0.000 2.809 248 V HA -0.146 3.974 4.120 0.001 0.000 0.256 248 V C 2.143 178.261 176.094 0.041 0.000 1.080 248 V CA 1.446 63.791 62.300 0.074 0.000 1.102 248 V CB -1.230 30.623 31.823 0.051 0.000 0.705 248 V HN 0.439 nan 8.190 nan 0.000 0.475 249 S N 0.728 116.439 115.700 0.020 0.000 2.440 249 S HA -0.230 4.241 4.470 0.001 0.000 0.238 249 S C 1.691 176.288 174.600 -0.005 0.000 1.010 249 S CA 1.655 59.852 58.200 -0.004 0.000 0.972 249 S CB -0.587 62.595 63.200 -0.030 0.000 0.774 249 S HN 0.796 nan 8.310 nan 0.000 0.501 250 Q N 0.089 119.897 119.800 0.014 0.000 2.172 250 Q HA 0.386 4.727 4.340 0.001 0.000 0.217 250 Q C -0.448 175.574 176.000 0.036 0.000 0.832 250 Q CA -0.386 55.424 55.803 0.011 0.000 1.010 250 Q CB 0.333 29.078 28.738 0.010 0.000 1.133 250 Q HN 0.531 nan 8.270 nan 0.000 0.489 251 R N -0.762 119.763 120.500 0.041 0.000 3.651 251 R HA -0.191 4.149 4.340 0.001 0.000 0.292 251 R C -0.383 175.946 176.300 0.048 0.000 1.161 251 R CA 0.494 56.618 56.100 0.040 0.000 0.787 251 R CB -2.409 27.908 30.300 0.029 0.000 1.249 251 R HN 0.262 nan 8.270 nan 0.000 0.476 252 A N 0.735 123.597 122.820 0.069 0.000 2.354 252 A HA 0.627 4.948 4.320 0.001 0.000 0.269 252 A C 1.006 178.601 177.584 0.018 0.000 1.109 252 A CA 0.288 52.350 52.037 0.041 0.000 0.800 252 A CB 0.685 19.711 19.000 0.044 0.000 1.045 252 A HN 0.348 nan 8.150 nan 0.000 0.489 253 G N 1.049 109.846 108.800 -0.005 0.000 2.403 253 G HA2 0.497 4.458 3.960 0.001 0.000 0.259 253 G HA3 0.497 4.458 3.960 0.001 0.000 0.259 253 G C -0.224 174.653 174.900 -0.039 0.000 1.244 253 G CA -0.346 44.748 45.100 -0.011 0.000 0.849 253 G HN 0.534 nan 8.290 nan 0.000 0.532 254 I N 1.324 121.876 120.570 -0.030 0.000 2.441 254 I HA 0.488 4.658 4.170 0.001 0.000 0.295 254 I C 0.627 176.730 176.117 -0.024 0.000 0.994 254 I CA -0.896 60.374 61.300 -0.050 0.000 1.144 254 I CB 1.331 39.304 38.000 -0.044 0.000 1.314 254 I HN 0.512 nan 8.210 nan 0.000 0.445 255 G N 6.589 115.380 108.800 -0.014 0.000 2.502 255 G HA2 0.709 4.669 3.960 0.001 0.000 0.311 255 G HA3 0.709 4.669 3.960 0.001 0.000 0.311 255 G C -0.723 174.209 174.900 0.054 0.000 1.270 255 G CA -0.333 44.830 45.100 0.104 0.000 0.948 255 G HN 0.467 nan 8.290 nan 0.000 0.487 256 I N 2.058 122.671 120.570 0.073 0.000 2.354 256 I HA 0.233 4.403 4.170 0.001 0.000 0.292 256 I C -0.439 175.741 176.117 0.104 0.000 0.989 256 I CA -1.016 60.255 61.300 -0.048 0.000 1.188 256 I CB 2.075 39.922 38.000 -0.255 0.000 1.342 256 I HN 0.318 nan 8.210 nan 0.000 0.457 257 N N 5.220 123.948 118.700 0.046 0.000 2.485 257 N HA 0.482 5.222 4.740 0.001 0.000 0.243 257 N C 0.015 175.589 175.510 0.107 0.000 0.987 257 N CA -0.259 52.868 53.050 0.129 0.000 0.940 257 N CB 1.580 40.107 38.487 0.066 0.000 1.122 257 N HN 0.739 nan 8.380 nan 0.000 0.509 258 A N 2.266 125.194 122.820 0.180 0.000 2.508 258 A HA 0.327 4.647 4.320 0.001 0.000 0.257 258 A C 1.649 179.412 177.584 0.299 0.000 1.226 258 A CA 0.178 52.357 52.037 0.236 0.000 0.947 258 A CB -0.198 18.952 19.000 0.249 0.000 1.079 258 A HN 0.639 nan 8.150 nan 0.000 0.531 259 G N 0.880 109.873 108.800 0.321 0.000 2.485 259 G HA2 -0.242 3.719 3.960 0.001 0.000 0.221 259 G HA3 -0.242 3.719 3.960 0.001 0.000 0.221 259 G C 1.521 176.527 174.900 0.177 0.000 1.115 259 G CA 0.945 46.251 45.100 0.342 0.000 0.751 259 G HN 0.602 nan 8.290 nan 0.000 0.567 260 R N -0.346 120.143 120.500 -0.018 0.000 2.275 260 R HA 0.229 4.569 4.340 0.001 0.000 0.199 260 R C 0.603 176.912 176.300 0.015 0.000 0.989 260 R CA -0.193 55.779 56.100 -0.213 0.000 1.016 260 R CB -0.014 30.097 30.300 -0.315 0.000 0.918 260 R HN 0.318 nan 8.270 nan 0.000 0.473 261 I N 3.979 124.635 120.570 0.142 0.000 2.668 261 I HA -0.064 4.106 4.170 0.001 0.000 0.285 261 I C 0.947 177.213 176.117 0.249 0.000 1.168 261 I CA -0.010 61.395 61.300 0.174 0.000 1.424 261 I CB 0.234 38.372 38.000 0.229 0.000 1.377 261 I HN 0.205 nan 8.210 nan 0.000 0.560 262 R N 5.957 126.549 120.500 0.154 0.000 2.784 262 R HA 0.487 4.827 4.340 0.001 0.000 0.266 262 R C -0.200 176.184 176.300 0.139 0.000 1.044 262 R CA -0.659 55.507 56.100 0.110 0.000 1.151 262 R CB 0.326 30.664 30.300 0.064 0.000 1.037 262 R HN 0.604 nan 8.270 nan 0.000 0.478 263 A N 2.710 125.557 122.820 0.045 0.000 2.340 263 A HA 0.237 4.557 4.320 0.001 0.000 0.268 263 A C 0.013 177.605 177.584 0.013 0.000 1.100 263 A CA -0.797 51.278 52.037 0.062 0.000 0.803 263 A CB 0.435 19.407 19.000 -0.047 0.000 1.043 263 A HN 0.753 nan 8.150 nan 0.000 0.488 264 L N 2.335 123.561 121.223 0.004 0.000 2.776 264 L HA 0.300 4.640 4.340 0.001 0.000 0.283 264 L C 1.067 177.879 176.870 -0.097 0.000 1.194 264 L CA 2.339 57.156 54.840 -0.038 0.000 0.947 264 L CB -0.695 41.335 42.059 -0.048 0.000 1.255 264 L HN 1.585 nan 8.230 nan 0.000 0.481 265 G N 2.205 110.889 108.800 -0.194 0.000 3.131 265 G HA2 -0.206 3.754 3.960 0.001 0.000 0.198 265 G HA3 -0.206 3.754 3.960 0.001 0.000 0.198 265 G C 0.266 174.915 174.900 -0.419 0.000 1.435 265 G CA -0.121 44.802 45.100 -0.294 0.000 1.016 265 G HN 0.905 nan 8.290 nan 0.000 0.499 266 S N 3.910 119.471 115.700 -0.231 0.000 2.643 266 S HA 0.327 4.798 4.470 0.001 0.000 0.310 266 S C -1.429 173.072 174.600 -0.164 0.000 1.253 266 S CA 0.379 58.489 58.200 -0.150 0.000 1.047 266 S CB 0.456 63.624 63.200 -0.053 0.000 0.767 266 S HN 0.508 nan 8.310 nan 0.000 0.498 276 T N -0.106 114.568 114.554 0.199 0.000 3.088 276 T HA 0.453 4.804 4.350 0.001 0.000 0.259 276 T C 1.112 175.795 174.700 -0.028 0.000 1.122 276 T CA 0.824 62.958 62.100 0.056 0.000 1.095 276 T CB 0.660 69.497 68.868 -0.052 0.000 0.930 276 T HN 0.785 nan 8.240 nan 0.000 0.508 277 G N -0.547 108.261 108.800 0.013 0.000 2.515 277 G HA2 -0.084 3.876 3.960 0.001 0.000 0.686 277 G HA3 -0.084 3.876 3.960 0.001 0.000 0.686 277 G C 0.499 175.391 174.900 -0.014 0.000 1.274 277 G CA -0.677 44.408 45.100 -0.024 0.000 0.874 277 G HN 0.213 nan 8.290 nan 0.000 0.631 278 C N 0.066 119.331 119.300 -0.058 0.000 2.462 278 C HA 0.019 4.479 4.460 0.001 0.000 0.278 278 C C 3.030 177.834 174.990 -0.310 0.000 1.253 278 C CA 1.499 60.444 59.018 -0.121 0.000 1.713 278 C CB -1.506 25.951 27.740 -0.472 0.000 2.049 278 C HN 0.631 nan 8.230 nan 0.000 0.477 279 I N 2.116 122.420 120.570 -0.444 0.000 2.145 279 I HA -0.219 3.951 4.170 0.001 0.000 0.244 279 I C -0.278 175.741 176.117 -0.163 0.000 1.075 279 I CA 1.970 63.065 61.300 -0.342 0.000 1.332 279 I CB -1.784 36.059 38.000 -0.262 0.000 1.033 279 I HN 0.274 nan 8.210 nan 0.000 0.410 280 P HA -0.205 nan 4.420 nan 0.000 0.217 280 P C 1.582 178.703 177.300 -0.299 0.000 1.151 280 P CA 1.912 64.827 63.100 -0.307 0.000 0.849 280 P CB -0.216 31.194 31.700 -0.485 0.000 0.787 281 F N -2.325 117.577 119.950 -0.080 0.000 2.293 281 F HA -0.063 4.464 4.527 0.001 0.000 0.297 281 F C 2.558 178.177 175.800 -0.302 0.000 1.089 281 F CA 0.731 58.609 58.000 -0.204 0.000 1.377 281 F CB -1.576 37.293 39.000 -0.218 0.000 1.051 281 F HN -0.170 nan 8.300 nan 0.000 0.511 282 Y N 0.736 120.988 120.300 -0.080 0.000 2.114 282 Y HA -0.217 4.333 4.550 0.001 0.000 0.284 282 Y C 2.460 178.411 175.900 0.085 0.000 1.143 282 Y CA 0.974 59.111 58.100 0.062 0.000 1.135 282 Y CB -1.224 37.346 38.460 0.183 0.000 0.980 282 Y HN -0.034 nan 8.280 nan 0.000 0.499 283 K N -1.000 119.540 120.400 0.235 0.000 2.127 283 K HA -0.280 4.040 4.320 0.001 0.000 0.208 283 K C 2.054 178.762 176.600 0.181 0.000 1.047 283 K CA 1.843 58.233 56.287 0.170 0.000 0.927 283 K CB -0.286 32.266 32.500 0.086 0.000 0.716 283 K HN 0.320 nan 8.250 nan 0.000 0.450 284 H N -0.806 118.278 119.070 0.022 0.000 2.333 284 H HA -0.068 4.488 4.556 0.001 0.000 0.302 284 H C 1.465 176.879 175.328 0.143 0.000 1.075 284 H CA 1.795 57.864 56.048 0.035 0.000 1.348 284 H CB -0.151 29.605 29.762 -0.009 0.000 1.393 284 H HN 0.094 nan 8.280 nan 0.000 0.509 285 F N 0.970 120.976 119.950 0.094 0.000 2.161 285 F HA -0.171 4.356 4.527 0.001 0.000 0.300 285 F C 2.778 178.573 175.800 -0.009 0.000 1.089 285 F CA 1.491 59.485 58.000 -0.011 0.000 1.282 285 F CB -0.993 38.021 39.000 0.023 0.000 1.010 285 F HN 0.356 nan 8.300 nan 0.000 0.485 286 Q N 0.199 120.142 119.800 0.238 0.000 2.119 286 Q HA -0.175 4.165 4.340 0.001 0.000 0.201 286 Q C 2.142 178.213 176.000 0.118 0.000 0.972 286 Q CA 2.222 58.127 55.803 0.169 0.000 0.847 286 Q CB -0.123 28.734 28.738 0.198 0.000 0.903 286 Q HN 0.537 nan 8.270 nan 0.000 0.433 287 T N -2.274 112.341 114.554 0.100 0.000 2.904 287 T HA 0.091 4.441 4.350 0.001 0.000 0.267 287 T C 1.869 176.586 174.700 0.028 0.000 1.059 287 T CA 0.799 62.940 62.100 0.068 0.000 1.137 287 T CB -0.270 68.653 68.868 0.091 0.000 0.879 287 T HN 0.307 nan 8.240 nan 0.000 0.467 288 A N 1.491 124.306 122.820 -0.009 0.000 1.883 288 A HA 0.012 4.332 4.320 0.001 0.000 0.217 288 A C 2.611 180.209 177.584 0.024 0.000 1.186 288 A CA 1.751 53.782 52.037 -0.011 0.000 0.624 288 A CB -1.263 17.726 19.000 -0.018 0.000 0.822 288 A HN 0.402 nan 8.150 nan 0.000 0.444 289 V N -0.473 119.465 119.914 0.042 0.000 2.469 289 V HA -0.199 3.921 4.120 0.001 0.000 0.251 289 V C 2.276 178.389 176.094 0.031 0.000 1.064 289 V CA 2.398 64.721 62.300 0.037 0.000 1.066 289 V CB -0.506 31.343 31.823 0.043 0.000 0.667 289 V HN 0.457 nan 8.190 nan 0.000 0.461 290 K N 0.228 120.645 120.400 0.030 0.000 2.374 290 K HA 0.083 4.403 4.320 0.001 0.000 0.196 290 K C 2.034 178.641 176.600 0.012 0.000 1.023 290 K CA 0.666 56.961 56.287 0.013 0.000 1.103 290 K CB -0.122 32.379 32.500 0.002 0.000 0.848 290 K HN 0.605 nan 8.250 nan 0.000 0.528 291 S N -0.962 114.749 115.700 0.018 0.000 2.462 291 S HA -0.164 4.307 4.470 0.001 0.000 0.243 291 S C 0.965 175.573 174.600 0.013 0.000 1.003 291 S CA 0.782 58.993 58.200 0.018 0.000 0.970 291 S CB -0.566 62.645 63.200 0.019 0.000 0.762 291 S HN 0.224 nan 8.310 nan 0.000 0.510 292 C N 2.667 121.974 119.300 0.011 0.000 3.290 292 C HA 0.769 5.229 4.460 0.001 0.000 0.206 292 C C -0.010 174.985 174.990 0.007 0.000 1.639 292 C CA -0.679 58.344 59.018 0.008 0.000 1.408 292 C CB -1.025 26.720 27.740 0.008 0.000 2.197 292 C HN 0.604 nan 8.230 nan 0.000 0.508 293 S N 0.263 115.965 115.700 0.003 0.000 2.582 293 S HA 0.647 5.118 4.470 0.001 0.000 0.287 293 S C -0.926 173.670 174.600 -0.006 0.000 1.146 293 S CA -0.322 57.878 58.200 -0.000 0.000 0.941 293 S CB 1.500 64.700 63.200 -0.001 0.000 1.115 293 S HN 0.621 nan 8.310 nan 0.000 0.458 294 Q N 1.572 121.369 119.800 -0.004 0.000 1.097 294 Q HA -0.106 4.234 4.340 0.001 0.000 0.315 294 Q C 0.269 176.265 176.000 -0.007 0.000 1.024 294 Q CA 2.294 58.092 55.803 -0.007 0.000 0.655 294 Q CB -1.705 27.022 28.738 -0.018 0.000 4.546 294 Q HN 2.002 nan 8.270 nan 0.000 0.464 295 G N 0.141 108.935 108.800 -0.011 0.000 3.288 295 G HA2 0.523 4.483 3.960 0.001 0.000 0.337 295 G HA3 0.523 4.483 3.960 0.001 0.000 0.337 295 G C 0.602 175.489 174.900 -0.021 0.000 1.142 295 G CA 0.531 45.626 45.100 -0.008 0.000 1.304 295 G HN 1.531 nan 8.290 nan 0.000 0.475 296 G N 0.449 109.236 108.800 -0.021 0.000 2.447 296 G HA2 -0.139 3.821 3.960 0.001 0.000 0.293 296 G HA3 -0.139 3.821 3.960 0.001 0.000 0.293 296 G C 0.791 175.633 174.900 -0.097 0.000 0.894 296 G CA 1.324 46.401 45.100 -0.038 0.000 1.066 296 G HN 1.468 nan 8.290 nan 0.000 0.503 297 V N -2.843 117.007 119.914 -0.108 0.000 3.914 297 V HA 0.492 4.613 4.120 0.001 0.000 0.187 297 V C 1.221 177.240 176.094 -0.126 0.000 1.258 297 V CA 0.512 62.695 62.300 -0.195 0.000 1.298 297 V CB -0.275 31.437 31.823 -0.185 0.000 1.453 297 V HN 0.603 nan 8.190 nan 0.000 0.553 298 R N 2.803 123.267 120.500 -0.059 0.000 2.410 298 R HA 0.574 4.914 4.340 0.001 0.000 0.288 298 R C 0.114 176.411 176.300 -0.005 0.000 1.051 298 R CA 0.870 56.959 56.100 -0.019 0.000 1.021 298 R CB 0.359 30.660 30.300 0.001 0.000 1.032 298 R HN 1.825 nan 8.270 nan 0.000 0.481 299 G N 0.540 109.347 108.800 0.012 0.000 3.019 299 G HA2 0.338 4.298 3.960 0.001 0.000 0.686 299 G HA3 0.338 4.298 3.960 0.001 0.000 0.686 299 G C 0.134 175.044 174.900 0.018 0.000 1.056 299 G CA 0.084 45.196 45.100 0.019 0.000 0.774 299 G HN 1.701 nan 8.290 nan 0.000 0.583 300 G N -0.360 108.457 108.800 0.028 0.000 3.391 300 G HA2 0.572 4.532 3.960 0.001 0.000 0.683 300 G HA3 0.572 4.532 3.960 0.001 0.000 0.683 300 G C 0.164 175.083 174.900 0.032 0.000 1.071 300 G CA 0.786 45.903 45.100 0.028 0.000 0.904 300 G HN 2.766 nan 8.290 nan 0.000 0.452 301 A N 1.329 124.168 122.820 0.032 0.000 2.413 301 A HA 1.186 5.507 4.320 0.001 0.000 0.307 301 A C 0.257 177.846 177.584 0.009 0.000 1.087 301 A CA 0.199 52.256 52.037 0.032 0.000 0.750 301 A CB 1.938 20.968 19.000 0.051 0.000 1.296 301 A HN 2.644 nan 8.150 nan 0.000 0.423 302 A N 0.409 123.221 122.820 -0.012 0.000 2.539 302 A HA 0.841 5.161 4.320 0.001 0.000 0.296 302 A C -0.530 176.990 177.584 -0.107 0.000 1.073 302 A CA -0.467 51.539 52.037 -0.052 0.000 0.700 302 A CB 1.471 20.433 19.000 -0.065 0.000 1.296 302 A HN 0.858 nan 8.150 nan 0.000 0.405 303 T N 1.889 116.370 114.554 -0.122 0.000 2.809 303 T HA 0.519 4.870 4.350 0.001 0.000 0.284 303 T C -0.717 173.753 174.700 -0.385 0.000 0.992 303 T CA -0.112 61.828 62.100 -0.267 0.000 0.957 303 T CB 0.740 69.500 68.868 -0.180 0.000 0.942 303 T HN 0.563 nan 8.240 nan 0.000 0.439 304 L N 4.145 125.043 121.223 -0.542 0.000 2.309 304 L HA 0.708 5.049 4.340 0.001 0.000 0.282 304 L C -1.406 175.208 176.870 -0.426 0.000 1.036 304 L CA -0.677 53.958 54.840 -0.342 0.000 0.806 304 L CB 0.532 42.438 42.059 -0.255 0.000 1.220 304 L HN 0.523 nan 8.230 nan 0.000 0.429 305 F N 4.354 124.300 119.950 -0.008 0.000 2.480 305 F HA 0.597 5.124 4.527 0.001 0.000 0.329 305 F C -0.546 175.305 175.800 0.085 0.000 1.091 305 F CA -0.483 57.495 58.000 -0.036 0.000 0.972 305 F CB 1.528 40.532 39.000 0.008 0.000 1.150 305 F HN 0.345 nan 8.300 nan 0.000 0.467 306 Y N 0.593 121.080 120.300 0.312 0.000 2.609 306 Y HA 0.701 5.251 4.550 0.001 0.000 0.336 306 Y C -3.416 172.571 175.900 0.145 0.000 1.129 306 Y CA -3.816 54.416 58.100 0.219 0.000 1.040 306 Y CB 0.679 39.206 38.460 0.111 0.000 1.310 306 Y HN 0.237 nan 8.280 nan 0.000 0.460 307 P HA 0.119 nan 4.420 nan 0.000 0.278 307 P C 0.605 177.811 177.300 -0.157 0.000 1.238 307 P CA -0.359 62.652 63.100 -0.147 0.000 0.794 307 P CB 1.585 32.692 31.700 -0.989 0.000 0.955 308 M N 3.270 122.805 119.600 -0.109 0.000 2.202 308 M HA -0.093 4.387 4.480 0.001 0.000 0.262 308 M C 1.017 177.326 176.300 0.016 0.000 1.063 308 M CA 1.839 57.131 55.300 -0.013 0.000 1.097 308 M CB -0.312 32.256 32.600 -0.054 0.000 1.382 308 M HN 0.470 nan 8.290 nan 0.000 0.413 309 W N -0.510 120.826 121.300 0.060 0.000 3.405 309 W HA 0.155 4.816 4.660 0.000 0.000 0.300 309 W C 0.195 176.823 176.519 0.180 0.000 1.286 309 W CA -0.541 56.880 57.345 0.126 0.000 1.762 309 W CB -1.519 28.052 29.460 0.185 0.000 1.087 309 W HN 0.115 nan 8.180 nan 0.000 0.703 310 H N 2.267 121.266 119.070 -0.119 0.000 2.972 310 H HA -0.084 4.472 4.556 0.001 0.000 0.343 310 H C 1.045 176.400 175.328 0.045 0.000 1.054 310 H CA 0.668 56.676 56.048 -0.066 0.000 1.412 310 H CB 1.806 31.464 29.762 -0.173 0.000 1.385 310 H HN 0.090 nan 8.280 nan 0.000 0.600 311 L N 4.177 125.336 121.223 -0.106 0.000 2.131 311 L HA -0.125 4.215 4.340 0.001 0.000 0.210 311 L C 1.678 178.580 176.870 0.052 0.000 1.092 311 L CA 1.728 56.557 54.840 -0.018 0.000 0.759 311 L CB -0.354 41.649 42.059 -0.094 0.000 0.903 311 L HN 0.700 nan 8.230 nan 0.000 0.435 312 E N -1.202 119.133 120.200 0.225 0.000 2.476 312 E HA -0.058 4.292 4.350 0.001 0.000 0.191 312 E C 2.084 178.625 176.600 -0.098 0.000 1.064 312 E CA 0.343 56.766 56.400 0.038 0.000 0.866 312 E CB 0.060 29.744 29.700 -0.026 0.000 0.952 312 E HN 0.393 nan 8.360 nan 0.000 0.492 313 V N 1.287 121.170 119.914 -0.052 0.000 2.453 313 V HA -0.330 3.790 4.120 0.001 0.000 0.252 313 V C 2.017 178.026 176.094 -0.142 0.000 1.068 313 V CA 2.184 64.398 62.300 -0.145 0.000 1.070 313 V CB -0.091 31.724 31.823 -0.013 0.000 0.664 313 V HN 0.248 nan 8.190 nan 0.000 0.461 314 E N -0.562 119.580 120.200 -0.097 0.000 2.150 314 E HA -0.128 4.222 4.350 0.001 0.000 0.193 314 E C 2.274 178.808 176.600 -0.111 0.000 0.985 314 E CA 1.411 57.761 56.400 -0.083 0.000 0.814 314 E CB -0.042 29.622 29.700 -0.060 0.000 0.752 314 E HN 0.760 nan 8.360 nan 0.000 0.466 315 S N 0.358 115.971 115.700 -0.146 0.000 2.377 315 S HA -0.032 4.439 4.470 0.001 0.000 0.223 315 S C 1.969 176.432 174.600 -0.229 0.000 1.030 315 S CA 0.405 58.504 58.200 -0.168 0.000 0.970 315 S CB -0.158 62.935 63.200 -0.178 0.000 0.830 315 S HN 0.202 nan 8.310 nan 0.000 0.473 316 L N 1.018 122.048 121.223 -0.322 0.000 2.012 316 L HA -0.130 4.211 4.340 0.001 0.000 0.210 316 L C 2.261 178.950 176.870 -0.301 0.000 1.073 316 L CA 0.858 55.429 54.840 -0.449 0.000 0.748 316 L CB -0.708 40.833 42.059 -0.863 0.000 0.891 316 L HN 0.263 nan 8.230 nan 0.000 0.431 317 L N -0.171 120.957 121.223 -0.157 0.000 2.129 317 L HA -0.175 4.165 4.340 0.001 0.000 0.212 317 L C 2.311 179.121 176.870 -0.101 0.000 1.087 317 L CA 1.773 56.580 54.840 -0.056 0.000 0.757 317 L CB -0.793 41.249 42.059 -0.030 0.000 0.896 317 L HN 0.285 nan 8.230 nan 0.000 0.434 318 V N -5.722 114.116 119.914 -0.126 0.000 3.660 318 V HA 0.070 4.191 4.120 0.001 0.000 0.276 318 V C 2.171 178.193 176.094 -0.119 0.000 1.317 318 V CA 0.102 62.341 62.300 -0.101 0.000 1.097 318 V CB -0.435 31.340 31.823 -0.079 0.000 0.863 318 V HN 0.242 nan 8.190 nan 0.000 0.438 319 L N 1.568 122.674 121.223 -0.195 0.000 2.123 319 L HA -0.273 4.067 4.340 0.001 0.000 0.217 319 L C 2.676 179.508 176.870 -0.065 0.000 1.081 319 L CA 2.853 57.589 54.840 -0.174 0.000 0.772 319 L CB -0.409 41.447 42.059 -0.337 0.000 0.890 319 L HN 0.639 nan 8.230 nan 0.000 0.437 320 K N -0.303 120.075 120.400 -0.036 0.000 2.360 320 K HA 0.008 4.328 4.320 0.001 0.000 0.196 320 K C 0.650 177.250 176.600 -0.000 0.000 1.049 320 K CA 0.008 56.321 56.287 0.044 0.000 1.049 320 K CB -0.105 32.505 32.500 0.183 0.000 0.881 320 K HN 0.258 nan 8.250 nan 0.000 0.542 321 N N 2.119 120.807 118.700 -0.020 0.000 2.475 321 N HA -0.074 4.666 4.740 0.001 0.000 0.267 321 N C -0.950 174.543 175.510 -0.029 0.000 1.169 321 N CA -0.480 52.556 53.050 -0.023 0.000 0.947 321 N CB 0.541 39.012 38.487 -0.026 0.000 1.061 321 N HN 0.400 nan 8.380 nan 0.000 0.466 322 N N 2.207 120.891 118.700 -0.027 0.000 2.456 322 N HA 0.429 5.170 4.740 0.001 0.000 0.288 322 N C -0.932 174.565 175.510 -0.021 0.000 1.059 322 N CA -0.921 52.111 53.050 -0.028 0.000 0.946 322 N CB 1.058 39.527 38.487 -0.030 0.000 1.150 322 N HN 0.762 nan 8.380 nan 0.000 0.479 323 R N 0.639 121.126 120.500 -0.021 0.000 2.494 323 R HA 0.025 4.366 4.340 0.001 0.000 0.281 323 R C -1.105 175.181 176.300 -0.024 0.000 1.030 323 R CA 0.265 56.354 56.100 -0.019 0.000 0.613 323 R CB -1.431 28.858 30.300 -0.017 0.000 1.571 323 R HN 0.973 nan 8.270 nan 0.000 0.355 324 G N -0.626 108.158 108.800 -0.026 0.000 2.721 324 G HA2 0.531 4.492 3.960 0.001 0.000 0.296 324 G HA3 0.531 4.492 3.960 0.001 0.000 0.296 324 G C -0.637 174.246 174.900 -0.028 0.000 1.383 324 G CA -0.131 44.951 45.100 -0.030 0.000 0.788 324 G HN 0.340 nan 8.290 nan 0.000 0.500 325 V N 0.420 120.315 119.914 -0.031 0.000 2.694 325 V HA 0.177 4.297 4.120 0.001 0.000 0.306 325 V C 1.697 177.774 176.094 -0.028 0.000 1.054 325 V CA 0.880 63.163 62.300 -0.029 0.000 1.161 325 V CB 1.287 33.091 31.823 -0.032 0.000 0.916 325 V HN 0.870 nan 8.190 nan 0.000 0.490 326 E N 4.764 124.951 120.200 -0.021 0.000 2.154 326 E HA -0.249 4.102 4.350 0.001 0.000 0.240 326 E C 1.566 178.155 176.600 -0.019 0.000 1.059 326 E CA 2.613 59.004 56.400 -0.016 0.000 0.954 326 E CB -0.779 28.913 29.700 -0.012 0.000 0.842 326 E HN 1.048 nan 8.360 nan 0.000 0.508 327 G N 0.499 109.284 108.800 -0.026 0.000 3.383 327 G HA2 -0.042 3.919 3.960 0.001 0.000 0.251 327 G HA3 -0.042 3.919 3.960 0.001 0.000 0.251 327 G C 0.170 175.041 174.900 -0.049 0.000 1.203 327 G CA 0.316 45.397 45.100 -0.032 0.000 0.852 327 G HN 0.306 nan 8.290 nan 0.000 0.531 328 N N -0.681 117.989 118.700 -0.051 0.000 2.535 328 N HA 0.369 5.110 4.740 0.001 0.000 0.294 328 N C -0.184 175.288 175.510 -0.063 0.000 1.408 328 N CA -0.625 52.383 53.050 -0.070 0.000 0.927 328 N CB 0.749 39.187 38.487 -0.082 0.000 1.276 328 N HN -0.141 nan 8.380 nan 0.000 0.505 329 R N -0.310 120.167 120.500 -0.038 0.000 2.575 329 R HA 0.565 4.906 4.340 0.001 0.000 0.293 329 R C -1.514 174.797 176.300 0.018 0.000 0.983 329 R CA -1.012 55.074 56.100 -0.024 0.000 0.887 329 R CB 1.896 32.179 30.300 -0.028 0.000 1.184 329 R HN 0.066 nan 8.270 nan 0.000 0.445 330 V N 5.570 125.521 119.914 0.062 0.000 2.380 330 V HA 0.292 4.413 4.120 0.001 0.000 0.268 330 V C 0.732 176.912 176.094 0.143 0.000 1.008 330 V CA -0.535 61.854 62.300 0.148 0.000 0.823 330 V CB 1.190 33.193 31.823 0.299 0.000 1.053 330 V HN 0.684 nan 8.190 nan 0.000 0.446 331 R N 0.627 121.094 120.500 -0.055 0.000 2.153 331 R HA 0.086 4.427 4.340 0.001 0.000 0.218 331 R C 1.063 177.276 176.300 -0.144 0.000 1.072 331 R CA 0.789 56.790 56.100 -0.164 0.000 0.990 331 R CB 0.062 30.132 30.300 -0.384 0.000 0.889 331 R HN 0.660 nan 8.270 nan 0.000 0.452 332 H N -0.144 118.989 119.070 0.106 0.000 2.567 332 H HA 0.304 4.860 4.556 0.001 0.000 0.294 332 H C 0.179 175.526 175.328 0.032 0.000 1.050 332 H CA 0.356 56.445 56.048 0.068 0.000 1.168 332 H CB 0.074 29.873 29.762 0.061 0.000 1.422 332 H HN 0.100 nan 8.280 nan 0.000 0.562 333 M N 0.365 120.000 119.600 0.060 0.000 2.619 333 M HA 0.263 4.743 4.480 0.001 0.000 0.297 333 M C -0.707 175.403 176.300 -0.317 0.000 1.229 333 M CA -0.827 54.385 55.300 -0.146 0.000 0.860 333 M CB 2.729 35.160 32.600 -0.282 0.000 1.741 333 M HN -0.080 nan 8.290 nan 0.000 0.462 334 D N 0.370 120.549 120.400 -0.369 0.000 2.326 334 D HA 0.584 5.224 4.640 0.001 0.000 0.251 334 D C -1.471 174.383 176.300 -0.744 0.000 1.023 334 D CA 0.119 53.905 54.000 -0.355 0.000 0.966 334 D CB 1.321 42.129 40.800 0.014 0.000 1.156 334 D HN 0.337 nan 8.370 nan 0.000 0.494 335 Y N -1.061 119.096 120.300 -0.238 0.000 2.477 335 Y HA 0.529 5.080 4.550 0.001 0.000 0.347 335 Y C 0.653 176.321 175.900 -0.387 0.000 0.981 335 Y CA -1.118 56.800 58.100 -0.304 0.000 1.033 335 Y CB 2.469 40.854 38.460 -0.125 0.000 1.245 335 Y HN 0.342 nan 8.280 nan 0.000 0.455 336 G N 1.557 110.083 108.800 -0.458 0.000 2.487 336 G HA2 0.535 4.495 3.960 0.001 0.000 0.314 336 G HA3 0.535 4.495 3.960 0.001 0.000 0.314 336 G C -1.518 173.237 174.900 -0.241 0.000 1.267 336 G CA -0.644 44.298 45.100 -0.262 0.000 0.937 336 G HN 0.443 nan 8.290 nan 0.000 0.481 337 V N 2.949 122.791 119.914 -0.121 0.000 2.406 337 V HA 0.195 4.315 4.120 0.001 0.000 0.272 337 V C 0.293 176.428 176.094 0.069 0.000 1.043 337 V CA -0.434 61.784 62.300 -0.136 0.000 0.915 337 V CB 1.150 32.935 31.823 -0.062 0.000 0.988 337 V HN 0.757 nan 8.190 nan 0.000 0.466 338 Q N 5.113 124.988 119.800 0.125 0.000 2.323 338 Q HA 0.532 4.872 4.340 0.001 0.000 0.257 338 Q C -0.755 175.393 176.000 0.246 0.000 1.022 338 Q CA 0.183 56.128 55.803 0.236 0.000 0.919 338 Q CB 0.927 29.899 28.738 0.391 0.000 1.220 338 Q HN 0.650 nan 8.270 nan 0.000 0.427 339 I N 2.286 122.946 120.570 0.149 0.000 2.646 339 I HA 0.434 4.604 4.170 0.001 0.000 0.299 339 I C -0.167 175.959 176.117 0.015 0.000 1.036 339 I CA -1.114 60.233 61.300 0.079 0.000 1.074 339 I CB 1.655 39.584 38.000 -0.117 0.000 1.258 339 I HN 0.592 nan 8.210 nan 0.000 0.430 340 N N 4.052 122.743 118.700 -0.015 0.000 2.577 340 N HA 0.282 5.023 4.740 0.001 0.000 0.285 340 N C 0.277 175.781 175.510 -0.010 0.000 1.309 340 N CA -0.966 52.027 53.050 -0.095 0.000 0.798 340 N CB 1.649 39.920 38.487 -0.359 0.000 1.463 340 N HN 0.593 nan 8.380 nan 0.000 0.518 341 K N -0.249 120.147 120.400 -0.006 0.000 2.059 341 K HA -0.178 4.142 4.320 0.001 0.000 0.212 341 K C 1.781 178.414 176.600 0.055 0.000 1.050 341 K CA 1.698 57.982 56.287 -0.005 0.000 0.927 341 K CB -0.412 32.145 32.500 0.096 0.000 0.714 341 K HN 0.485 nan 8.250 nan 0.000 0.447 342 L N 0.748 122.017 121.223 0.077 0.000 1.990 342 L HA -0.249 4.091 4.340 0.001 0.000 0.213 342 L C 2.189 179.119 176.870 0.099 0.000 1.072 342 L CA 1.846 56.747 54.840 0.102 0.000 0.755 342 L CB -0.385 41.761 42.059 0.144 0.000 0.889 342 L HN 0.331 nan 8.230 nan 0.000 0.432 343 M N -1.490 118.165 119.600 0.091 0.000 2.110 343 M HA -0.302 4.179 4.480 0.001 0.000 0.257 343 M C 2.447 178.855 176.300 0.180 0.000 1.071 343 M CA 2.090 57.471 55.300 0.136 0.000 1.096 343 M CB -1.697 30.941 32.600 0.064 0.000 1.300 343 M HN 0.244 nan 8.290 nan 0.000 0.411 344 Y N 0.968 121.323 120.300 0.091 0.000 2.165 344 Y HA -0.191 4.360 4.550 0.001 0.000 0.286 344 Y C 2.867 178.687 175.900 -0.134 0.000 1.155 344 Y CA 1.885 59.891 58.100 -0.158 0.000 1.164 344 Y CB -1.556 36.707 38.460 -0.328 0.000 0.978 344 Y HN 0.313 nan 8.280 nan 0.000 0.513 345 T N 0.280 114.892 114.554 0.096 0.000 2.635 345 T HA -0.228 4.122 4.350 0.001 0.000 0.267 345 T C 2.056 176.794 174.700 0.062 0.000 1.040 345 T CA 1.596 63.732 62.100 0.060 0.000 1.156 345 T CB -0.185 68.723 68.868 0.066 0.000 0.863 345 T HN 0.199 nan 8.240 nan 0.000 0.430 346 R N 0.675 121.233 120.500 0.097 0.000 2.133 346 R HA -0.133 4.207 4.340 0.001 0.000 0.245 346 R C 2.408 178.758 176.300 0.083 0.000 1.137 346 R CA 1.360 57.528 56.100 0.113 0.000 0.947 346 R CB -1.461 28.942 30.300 0.172 0.000 0.865 346 R HN 0.371 nan 8.270 nan 0.000 0.437 347 L N 1.208 122.464 121.223 0.056 0.000 1.990 347 L HA -0.168 4.172 4.340 0.001 0.000 0.213 347 L C 2.286 179.129 176.870 -0.044 0.000 1.072 347 L CA 1.737 56.549 54.840 -0.046 0.000 0.755 347 L CB -0.704 41.119 42.059 -0.393 0.000 0.889 347 L HN 0.130 nan 8.230 nan 0.000 0.432 348 L N -0.552 120.645 121.223 -0.043 0.000 2.027 348 L HA -0.165 4.175 4.340 0.001 0.000 0.206 348 L C 2.374 179.243 176.870 -0.001 0.000 1.074 348 L CA 1.190 56.013 54.840 -0.027 0.000 0.745 348 L CB -0.812 41.233 42.059 -0.024 0.000 0.898 348 L HN 0.196 nan 8.230 nan 0.000 0.433 349 K N 0.807 121.217 120.400 0.015 0.000 2.574 349 K HA 0.017 4.337 4.320 0.001 0.000 0.193 349 K C 1.054 177.672 176.600 0.030 0.000 1.035 349 K CA 0.780 57.082 56.287 0.025 0.000 0.982 349 K CB -0.448 32.073 32.500 0.035 0.000 0.795 349 K HN 0.454 nan 8.250 nan 0.000 0.491 350 G N 2.437 111.255 108.800 0.030 0.000 2.323 350 G HA2 -0.289 3.671 3.960 0.001 0.000 0.292 350 G HA3 -0.289 3.671 3.960 0.001 0.000 0.292 350 G C -0.201 174.727 174.900 0.047 0.000 1.040 350 G CA 0.708 45.830 45.100 0.036 0.000 0.942 350 G HN 0.450 nan 8.290 nan 0.000 0.506 351 E N -0.721 119.516 120.200 0.062 0.000 2.518 351 E HA 0.503 4.853 4.350 0.001 0.000 0.241 351 E C -0.503 176.148 176.600 0.085 0.000 0.899 351 E CA -1.080 55.359 56.400 0.066 0.000 0.888 351 E CB 0.830 30.571 29.700 0.068 0.000 1.426 351 E HN 0.161 nan 8.360 nan 0.000 0.401 352 D N 0.333 120.783 120.400 0.084 0.000 2.294 352 D HA 0.377 5.018 4.640 0.001 0.000 0.250 352 D C -0.588 175.798 176.300 0.143 0.000 1.058 352 D CA -0.103 53.953 54.000 0.093 0.000 0.950 352 D CB 1.054 41.889 40.800 0.057 0.000 1.158 352 D HN 0.195 nan 8.370 nan 0.000 0.453 353 I N 0.789 121.452 120.570 0.155 0.000 2.378 353 I HA 0.138 4.309 4.170 0.001 0.000 0.291 353 I C 0.022 176.253 176.117 0.190 0.000 0.992 353 I CA -0.355 61.082 61.300 0.228 0.000 1.154 353 I CB 1.722 39.849 38.000 0.212 0.000 1.315 353 I HN 0.051 nan 8.210 nan 0.000 0.448 354 T N 7.049 121.762 114.554 0.264 0.000 2.799 354 T HA 0.514 4.865 4.350 0.001 0.000 0.286 354 T C -0.067 174.697 174.700 0.107 0.000 0.973 354 T CA -0.504 61.619 62.100 0.038 0.000 1.035 354 T CB 0.672 69.453 68.868 -0.146 0.000 0.932 354 T HN 0.254 nan 8.240 nan 0.000 0.469 355 L N 3.557 124.714 121.223 -0.110 0.000 2.334 355 L HA 0.646 4.987 4.340 0.001 0.000 0.277 355 L C -0.757 175.942 176.870 -0.285 0.000 1.075 355 L CA -0.679 54.174 54.840 0.022 0.000 0.804 355 L CB 0.593 42.658 42.059 0.010 0.000 1.174 355 L HN 0.577 nan 8.230 nan 0.000 0.438 356 F N -0.201 119.875 119.950 0.211 0.000 2.588 356 F HA 0.298 4.825 4.527 0.001 0.000 0.310 356 F C 0.366 176.193 175.800 0.045 0.000 1.082 356 F CA -0.763 57.301 58.000 0.107 0.000 0.929 356 F CB 2.157 41.217 39.000 0.099 0.000 1.254 356 F HN 0.360 nan 8.300 nan 0.000 0.455 357 S N 3.618 119.386 115.700 0.113 0.000 2.549 357 S HA 0.204 4.675 4.470 0.001 0.000 0.279 357 S C -1.424 173.251 174.600 0.125 0.000 1.321 357 S CA -1.225 56.942 58.200 -0.055 0.000 1.054 357 S CB 0.900 64.067 63.200 -0.056 0.000 0.899 357 S HN 0.432 nan 8.310 nan 0.000 0.497 358 P HA -0.129 nan 4.420 nan 0.000 0.219 358 P C 1.461 178.827 177.300 0.109 0.000 1.146 358 P CA 1.353 64.600 63.100 0.245 0.000 0.808 358 P CB -0.284 31.511 31.700 0.159 0.000 0.779 359 S N -0.877 114.851 115.700 0.046 0.000 2.481 359 S HA -0.097 4.374 4.470 0.001 0.000 0.231 359 S C 1.348 175.940 174.600 -0.015 0.000 0.996 359 S CA 0.926 59.136 58.200 0.018 0.000 0.942 359 S CB -0.873 62.336 63.200 0.014 0.000 0.768 359 S HN 0.044 nan 8.310 nan 0.000 0.520 360 D N 1.397 121.784 120.400 -0.021 0.000 2.350 360 D HA 0.129 4.770 4.640 0.001 0.000 0.213 360 D C 0.466 176.623 176.300 -0.238 0.000 1.031 360 D CA 0.429 54.384 54.000 -0.075 0.000 0.861 360 D CB 0.846 41.637 40.800 -0.014 0.000 0.926 360 D HN 0.531 nan 8.370 nan 0.000 0.520 361 V N -0.643 119.105 119.914 -0.277 0.000 2.383 361 V HA 0.400 4.520 4.120 0.001 0.000 0.264 361 V C -2.892 173.024 176.094 -0.296 0.000 1.001 361 V CA -2.029 59.884 62.300 -0.645 0.000 0.828 361 V CB 1.249 32.643 31.823 -0.715 0.000 1.069 361 V HN -0.228 nan 8.190 nan 0.000 0.451 362 P HA 0.316 nan 4.420 nan 0.000 0.271 362 P C 1.159 178.547 177.300 0.147 0.000 1.216 362 P CA 1.627 64.739 63.100 0.021 0.000 0.771 362 P CB 1.375 33.089 31.700 0.022 0.000 0.864 363 G N 2.591 111.494 108.800 0.171 0.000 2.234 363 G HA2 -0.309 3.652 3.960 0.001 0.000 0.260 363 G HA3 -0.309 3.652 3.960 0.001 0.000 0.260 363 G C 0.826 175.867 174.900 0.234 0.000 0.987 363 G CA 0.204 45.421 45.100 0.196 0.000 0.625 363 G HN 0.537 nan 8.290 nan 0.000 0.532 364 L N -0.472 120.893 121.223 0.236 0.000 2.093 364 L HA 0.036 4.376 4.340 0.001 0.000 0.208 364 L C 2.321 179.434 176.870 0.404 0.000 1.085 364 L CA 2.878 57.834 54.840 0.193 0.000 0.755 364 L CB -0.646 41.377 42.059 -0.061 0.000 0.904 364 L HN 0.506 nan 8.230 nan 0.000 0.435 365 Y N 1.122 121.649 120.300 0.377 0.000 2.133 365 Y HA -0.257 4.293 4.550 0.000 0.000 0.287 365 Y C 2.337 178.538 175.900 0.502 0.000 1.134 365 Y CA 1.954 60.371 58.100 0.529 0.000 1.133 365 Y CB -0.160 38.597 38.460 0.495 0.000 0.987 365 Y HN 0.247 nan 8.280 nan 0.000 0.502 366 D N 0.323 120.995 120.400 0.454 0.000 2.106 366 D HA -0.244 4.396 4.640 0.001 0.000 0.191 366 D C 2.325 178.784 176.300 0.265 0.000 0.997 366 D CA 1.767 55.980 54.000 0.356 0.000 0.834 366 D CB -0.896 40.075 40.800 0.286 0.000 0.956 366 D HN 0.469 nan 8.370 nan 0.000 0.448 367 A N 0.480 123.451 122.820 0.252 0.000 1.958 367 A HA -0.241 4.080 4.320 0.001 0.000 0.221 367 A C 2.120 179.805 177.584 0.169 0.000 1.178 367 A CA 1.377 53.553 52.037 0.231 0.000 0.642 367 A CB -1.095 18.076 19.000 0.284 0.000 0.816 367 A HN 0.246 nan 8.150 nan 0.000 0.453 368 F N -0.046 119.833 119.950 -0.119 0.000 2.091 368 F HA -0.197 4.330 4.527 0.001 0.000 0.299 368 F C 1.797 177.190 175.800 -0.678 0.000 1.103 368 F CA 1.773 59.370 58.000 -0.672 0.000 1.228 368 F CB -0.550 37.999 39.000 -0.752 0.000 0.984 368 F HN 0.251 nan 8.300 nan 0.000 0.477 369 F N -0.400 119.430 119.950 -0.199 0.000 2.262 369 F HA 0.204 4.731 4.527 0.001 0.000 0.292 369 F C 2.420 178.139 175.800 -0.136 0.000 1.081 369 F CA 0.902 58.749 58.000 -0.254 0.000 1.355 369 F CB -1.349 37.534 39.000 -0.195 0.000 1.069 369 F HN -0.039 nan 8.300 nan 0.000 0.506 370 A N -1.727 121.166 122.820 0.122 0.000 2.308 370 A HA 0.170 4.490 4.320 0.001 0.000 0.217 370 A C -0.198 177.424 177.584 0.064 0.000 1.216 370 A CA 0.593 52.689 52.037 0.097 0.000 0.864 370 A CB -0.081 18.990 19.000 0.118 0.000 0.902 370 A HN 0.239 nan 8.150 nan 0.000 0.499 371 D N -1.319 119.110 120.400 0.049 0.000 2.219 371 D HA 0.058 4.698 4.640 0.001 0.000 0.191 371 D C 0.136 176.482 176.300 0.077 0.000 1.272 371 D CA -0.228 53.807 54.000 0.059 0.000 0.873 371 D CB 0.537 41.382 40.800 0.074 0.000 1.730 371 D HN -0.081 nan 8.370 nan 0.000 0.519 372 Q N 1.608 121.443 119.800 0.058 0.000 2.083 372 Q HA -0.088 4.252 4.340 0.001 0.000 0.198 372 Q C 1.737 177.822 176.000 0.141 0.000 0.969 372 Q CA 1.206 57.060 55.803 0.086 0.000 0.838 372 Q CB 0.093 28.861 28.738 0.050 0.000 0.900 372 Q HN 0.771 nan 8.270 nan 0.000 0.436 373 E N 0.897 121.151 120.200 0.090 0.000 2.152 373 E HA -0.195 4.155 4.350 0.001 0.000 0.192 373 E C 1.666 178.301 176.600 0.058 0.000 0.983 373 E CA 1.261 57.703 56.400 0.071 0.000 0.818 373 E CB -0.053 29.670 29.700 0.040 0.000 0.758 373 E HN 0.270 nan 8.360 nan 0.000 0.467 374 E N 0.854 121.095 120.200 0.067 0.000 2.077 374 E HA -0.190 4.160 4.350 0.001 0.000 0.193 374 E C 1.879 178.512 176.600 0.056 0.000 0.989 374 E CA 1.188 57.616 56.400 0.047 0.000 0.800 374 E CB -0.662 29.073 29.700 0.058 0.000 0.746 374 E HN 0.320 nan 8.360 nan 0.000 0.452 375 F N 1.542 121.481 119.950 -0.018 0.000 2.026 375 F HA -0.223 4.304 4.527 0.000 0.000 0.296 375 F C 2.330 178.106 175.800 -0.040 0.000 1.133 375 F CA 2.452 60.434 58.000 -0.030 0.000 1.188 375 F CB -0.832 38.169 39.000 0.002 0.000 0.968 375 F HN 0.178 nan 8.300 nan 0.000 0.476 376 E N 0.379 120.625 120.200 0.077 0.000 2.113 376 E HA -0.356 3.994 4.350 0.001 0.000 0.210 376 E C 2.464 179.000 176.600 -0.106 0.000 1.040 376 E CA 2.434 58.828 56.400 -0.011 0.000 0.847 376 E CB -0.505 29.233 29.700 0.064 0.000 0.755 376 E HN 0.471 nan 8.360 nan 0.000 0.459 377 R N -0.149 120.287 120.500 -0.107 0.000 2.062 377 R HA -0.094 4.246 4.340 0.001 0.000 0.231 377 R C 2.607 178.740 176.300 -0.279 0.000 1.136 377 R CA 1.559 57.570 56.100 -0.148 0.000 0.948 377 R CB -0.354 29.882 30.300 -0.107 0.000 0.845 377 R HN 0.327 nan 8.270 nan 0.000 0.430 378 L N -0.205 120.809 121.223 -0.348 0.000 2.046 378 L HA -0.208 4.132 4.340 0.001 0.000 0.208 378 L C 2.428 178.828 176.870 -0.784 0.000 1.077 378 L CA 1.340 55.813 54.840 -0.612 0.000 0.747 378 L CB -0.617 41.188 42.059 -0.424 0.000 0.896 378 L HN 0.266 nan 8.230 nan 0.000 0.432 379 Y N 1.249 121.071 120.300 -0.798 0.000 2.070 379 Y HA -0.339 4.212 4.550 0.001 0.000 0.279 379 Y C 3.011 178.642 175.900 -0.448 0.000 1.134 379 Y CA 2.352 59.974 58.100 -0.797 0.000 1.113 379 Y CB -0.720 37.098 38.460 -1.069 0.000 0.981 379 Y HN 0.324 nan 8.280 nan 0.000 0.487 380 T N -1.159 113.251 114.554 -0.240 0.000 2.665 380 T HA -0.338 4.012 4.350 0.001 0.000 0.268 380 T C 1.882 176.442 174.700 -0.233 0.000 1.035 380 T CA 1.960 63.950 62.100 -0.184 0.000 1.151 380 T CB -0.650 68.165 68.868 -0.089 0.000 0.862 380 T HN 0.293 nan 8.240 nan 0.000 0.438 381 K N 0.617 120.830 120.400 -0.312 0.000 2.020 381 K HA -0.184 4.137 4.320 0.001 0.000 0.212 381 K C 2.083 178.545 176.600 -0.230 0.000 1.050 381 K CA 1.723 57.820 56.287 -0.316 0.000 0.929 381 K CB -0.829 31.390 32.500 -0.468 0.000 0.714 381 K HN 0.474 nan 8.250 nan 0.000 0.443 382 Y N 1.632 121.784 120.300 -0.247 0.000 2.293 382 Y HA -0.076 4.475 4.550 0.000 0.000 0.291 382 Y C 1.977 177.861 175.900 -0.027 0.000 1.137 382 Y CA 1.416 59.394 58.100 -0.202 0.000 1.202 382 Y CB -0.621 37.557 38.460 -0.470 0.000 0.990 382 Y HN 0.452 nan 8.280 nan 0.000 0.537 383 E N -0.211 120.022 120.200 0.055 0.000 2.347 383 E HA -0.128 4.222 4.350 0.001 0.000 0.196 383 E C 1.916 178.509 176.600 -0.011 0.000 1.008 383 E CA 0.816 57.244 56.400 0.046 0.000 0.852 383 E CB -0.101 29.532 29.700 -0.113 0.000 0.783 383 E HN 0.198 nan 8.360 nan 0.000 0.505 384 K N 1.356 121.741 120.400 -0.025 0.000 2.356 384 K HA -0.028 4.293 4.320 0.001 0.000 0.195 384 K C 0.076 176.674 176.600 -0.003 0.000 1.037 384 K CA 0.143 56.414 56.287 -0.026 0.000 1.014 384 K CB 0.213 32.686 32.500 -0.045 0.000 0.815 384 K HN 0.046 nan 8.250 nan 0.000 0.507 385 D N 1.327 121.746 120.400 0.031 0.000 2.308 385 D HA 0.012 4.652 4.640 0.001 0.000 0.251 385 D C 0.186 176.509 176.300 0.038 0.000 1.127 385 D CA 0.089 54.118 54.000 0.048 0.000 0.876 385 D CB 1.154 42.016 40.800 0.104 0.000 1.176 385 D HN -0.040 nan 8.370 nan 0.000 0.446 386 D N 1.472 121.881 120.400 0.015 0.000 2.346 386 D HA -0.093 4.547 4.640 0.001 0.000 0.206 386 D C 1.532 177.829 176.300 -0.005 0.000 1.001 386 D CA 0.423 54.422 54.000 -0.002 0.000 0.871 386 D CB 0.289 41.084 40.800 -0.009 0.000 0.943 386 D HN 0.485 nan 8.370 nan 0.000 0.518 387 S N 0.058 115.758 115.700 0.001 0.000 2.562 387 S HA 0.009 4.480 4.470 0.001 0.000 0.221 387 S C 0.933 175.526 174.600 -0.012 0.000 0.975 387 S CA -0.151 58.045 58.200 -0.007 0.000 0.918 387 S CB 0.092 63.288 63.200 -0.005 0.000 0.772 387 S HN -0.044 nan 8.310 nan 0.000 0.531 388 I N 3.295 123.865 120.570 0.000 0.000 2.337 388 I HA 0.302 4.472 4.170 0.001 0.000 0.291 388 I C 0.700 176.813 176.117 -0.007 0.000 1.046 388 I CA -0.537 60.765 61.300 0.004 0.000 1.324 388 I CB 0.502 38.534 38.000 0.053 0.000 1.409 388 I HN 0.312 nan 8.210 nan 0.000 0.494 389 R N 7.880 128.363 120.500 -0.028 0.000 2.458 389 R HA 0.131 4.471 4.340 0.001 0.000 0.303 389 R C -0.159 176.065 176.300 -0.127 0.000 1.013 389 R CA 0.283 56.343 56.100 -0.067 0.000 1.026 389 R CB 0.385 30.645 30.300 -0.065 0.000 0.948 389 R HN 0.789 nan 8.270 nan 0.000 0.417 390 K N 2.460 122.723 120.400 -0.227 0.000 2.399 390 K HA 0.397 4.717 4.320 0.001 0.000 0.260 390 K C -1.321 175.078 176.600 -0.336 0.000 1.049 390 K CA -1.116 54.883 56.287 -0.480 0.000 0.890 390 K CB 1.695 33.801 32.500 -0.657 0.000 1.430 390 K HN 0.478 nan 8.250 nan 0.000 0.459 391 Q N 0.805 120.380 119.800 -0.375 0.000 2.313 391 Q HA 0.262 4.602 4.340 0.001 0.000 0.260 391 Q C -1.643 174.244 176.000 -0.188 0.000 0.972 391 Q CA -0.547 55.126 55.803 -0.216 0.000 0.886 391 Q CB 2.496 31.144 28.738 -0.150 0.000 1.373 391 Q HN 0.621 nan 8.270 nan 0.000 0.416 392 R N 1.331 121.754 120.500 -0.128 0.000 2.297 392 R HA 0.555 4.895 4.340 0.001 0.000 0.308 392 R C -0.163 176.115 176.300 -0.037 0.000 1.029 392 R CA -0.237 55.816 56.100 -0.078 0.000 0.929 392 R CB 1.305 31.567 30.300 -0.062 0.000 1.046 392 R HN 0.463 nan 8.270 nan 0.000 0.461 393 V N -0.077 119.835 119.914 -0.003 0.000 3.074 393 V HA 0.598 4.718 4.120 0.001 0.000 0.314 393 V C -0.797 175.322 176.094 0.041 0.000 1.117 393 V CA -1.225 61.084 62.300 0.014 0.000 1.014 393 V CB 2.050 33.881 31.823 0.013 0.000 1.057 393 V HN 0.467 nan 8.190 nan 0.000 0.438 394 K N 1.791 122.217 120.400 0.044 0.000 2.276 394 K HA 0.714 5.034 4.320 0.001 0.000 0.283 394 K C 1.011 177.671 176.600 0.099 0.000 1.044 394 K CA 0.562 56.887 56.287 0.063 0.000 0.944 394 K CB 1.083 33.612 32.500 0.049 0.000 1.012 394 K HN 0.967 nan 8.250 nan 0.000 0.472 395 A N 3.608 126.508 122.820 0.133 0.000 1.917 395 A HA -0.150 4.170 4.320 0.001 0.000 0.219 395 A C 1.661 179.418 177.584 0.289 0.000 1.182 395 A CA 2.174 54.346 52.037 0.224 0.000 0.633 395 A CB -0.731 18.400 19.000 0.219 0.000 0.819 395 A HN 0.567 nan 8.150 nan 0.000 0.448 396 V N -0.480 119.539 119.914 0.174 0.000 2.626 396 V HA -0.228 3.892 4.120 0.001 0.000 0.252 396 V C 2.155 178.339 176.094 0.149 0.000 1.067 396 V CA 2.121 64.511 62.300 0.149 0.000 1.081 396 V CB -0.976 30.896 31.823 0.081 0.000 0.686 396 V HN 0.614 nan 8.190 nan 0.000 0.468 397 E N 0.136 120.406 120.200 0.117 0.000 2.042 397 E HA -0.090 4.261 4.350 0.001 0.000 0.189 397 E C 2.084 178.729 176.600 0.075 0.000 0.974 397 E CA 0.808 57.256 56.400 0.079 0.000 0.806 397 E CB -0.224 29.505 29.700 0.048 0.000 0.769 397 E HN 0.368 nan 8.360 nan 0.000 0.451 398 L N 0.352 121.614 121.223 0.065 0.000 1.990 398 L HA -0.194 4.146 4.340 0.001 0.000 0.213 398 L C 1.978 178.825 176.870 -0.037 0.000 1.072 398 L CA 1.725 56.558 54.840 -0.013 0.000 0.755 398 L CB -0.510 41.511 42.059 -0.062 0.000 0.889 398 L HN 0.094 nan 8.230 nan 0.000 0.432 399 F N -0.807 119.159 119.950 0.026 0.000 2.202 399 F HA -0.235 4.293 4.527 0.001 0.000 0.301 399 F C 2.604 178.421 175.800 0.029 0.000 1.082 399 F CA 1.679 59.695 58.000 0.026 0.000 1.313 399 F CB -0.668 38.349 39.000 0.029 0.000 1.024 399 F HN 0.070 nan 8.300 nan 0.000 0.495 400 S N -0.255 115.560 115.700 0.192 0.000 2.395 400 S HA -0.098 4.372 4.470 0.001 0.000 0.225 400 S C 1.914 176.550 174.600 0.061 0.000 1.027 400 S CA 0.640 58.906 58.200 0.110 0.000 0.965 400 S CB -0.455 62.794 63.200 0.080 0.000 0.812 400 S HN 0.244 nan 8.310 nan 0.000 0.482 401 L N 1.915 123.163 121.223 0.040 0.000 2.046 401 L HA 0.058 4.399 4.340 0.001 0.000 0.208 401 L C 2.130 179.006 176.870 0.010 0.000 1.077 401 L CA 1.691 56.538 54.840 0.012 0.000 0.747 401 L CB -0.693 41.364 42.059 -0.004 0.000 0.896 401 L HN 0.319 nan 8.230 nan 0.000 0.432 402 M N -1.650 117.957 119.600 0.012 0.000 2.067 402 M HA -0.249 4.232 4.480 0.001 0.000 0.260 402 M C 2.084 178.410 176.300 0.043 0.000 1.069 402 M CA 1.912 57.221 55.300 0.014 0.000 1.117 402 M CB -0.063 32.526 32.600 -0.019 0.000 1.334 402 M HN 0.275 nan 8.290 nan 0.000 0.407 403 M N -0.100 119.546 119.600 0.076 0.000 2.159 403 M HA -0.213 4.268 4.480 0.001 0.000 0.263 403 M C 2.038 178.355 176.300 0.029 0.000 1.063 403 M CA 1.690 57.036 55.300 0.077 0.000 1.110 403 M CB -1.598 31.062 32.600 0.099 0.000 1.374 403 M HN 0.463 nan 8.290 nan 0.000 0.411 404 Q N 0.071 119.880 119.800 0.015 0.000 2.061 404 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 404 Q C 1.896 177.892 176.000 -0.007 0.000 0.984 404 Q CA 1.381 57.180 55.803 -0.007 0.000 0.846 404 Q CB 0.202 28.937 28.738 -0.006 0.000 0.902 404 Q HN 0.353 nan 8.270 nan 0.000 0.421 405 E N 0.198 120.397 120.200 -0.002 0.000 2.047 405 E HA -0.189 4.162 4.350 0.001 0.000 0.191 405 E C 1.881 178.480 176.600 -0.001 0.000 0.987 405 E CA 0.939 57.335 56.400 -0.007 0.000 0.799 405 E CB -0.294 29.398 29.700 -0.013 0.000 0.752 405 E HN 0.326 nan 8.360 nan 0.000 0.449 406 R N 0.727 121.234 120.500 0.011 0.000 2.096 406 R HA -0.155 4.185 4.340 0.001 0.000 0.240 406 R C 2.188 178.512 176.300 0.040 0.000 1.139 406 R CA 1.778 57.894 56.100 0.027 0.000 0.952 406 R CB -0.260 30.080 30.300 0.068 0.000 0.854 406 R HN 0.133 nan 8.270 nan 0.000 0.436 407 A N 0.354 123.188 122.820 0.023 0.000 1.902 407 A HA -0.176 4.144 4.320 0.001 0.000 0.217 407 A C 2.226 179.812 177.584 0.003 0.000 1.181 407 A CA 2.012 54.051 52.037 0.005 0.000 0.623 407 A CB -0.633 18.333 19.000 -0.056 0.000 0.818 407 A HN 0.655 nan 8.150 nan 0.000 0.443 408 S N -0.851 114.846 115.700 -0.005 0.000 2.406 408 S HA -0.117 4.354 4.470 0.001 0.000 0.224 408 S C 1.941 176.541 174.600 0.001 0.000 1.030 408 S CA 1.745 59.941 58.200 -0.008 0.000 0.958 408 S CB -0.944 62.247 63.200 -0.015 0.000 0.811 408 S HN 0.773 nan 8.310 nan 0.000 0.489 409 T N -2.782 111.775 114.554 0.005 0.000 3.031 409 T HA 0.461 4.811 4.350 0.001 0.000 0.254 409 T C 1.852 176.563 174.700 0.019 0.000 1.060 409 T CA 1.139 63.244 62.100 0.008 0.000 1.135 409 T CB -0.526 68.346 68.868 0.007 0.000 0.896 409 T HN 1.246 nan 8.240 nan 0.000 0.472 410 G N 2.332 111.155 108.800 0.038 0.000 2.225 410 G HA2 -0.240 3.720 3.960 0.001 0.000 0.254 410 G HA3 -0.240 3.720 3.960 0.001 0.000 0.254 410 G C 0.736 175.729 174.900 0.155 0.000 0.988 410 G CA 0.159 45.316 45.100 0.094 0.000 0.625 410 G HN 0.649 nan 8.290 nan 0.000 0.527 411 R N 0.024 120.522 120.500 -0.003 0.000 2.748 411 R HA 0.435 4.775 4.340 0.001 0.000 0.395 411 R C -0.269 175.625 176.300 -0.675 0.000 1.128 411 R CA -0.299 55.651 56.100 -0.250 0.000 1.042 411 R CB 0.587 30.888 30.300 0.001 0.000 1.392 411 R HN 0.325 nan 8.270 nan 0.000 0.582 412 I N 2.099 122.379 120.570 -0.484 0.000 2.390 412 I HA 0.312 4.482 4.170 0.001 0.000 0.283 412 I C -0.419 175.538 176.117 -0.266 0.000 1.016 412 I CA -1.336 59.745 61.300 -0.365 0.000 1.151 412 I CB 0.520 38.463 38.000 -0.095 0.000 1.293 412 I HN 0.012 nan 8.210 nan 0.000 0.458 413 Y N 6.186 126.519 120.300 0.055 0.000 2.432 413 Y HA 0.565 5.115 4.550 0.001 0.000 0.322 413 Y C 0.270 176.220 175.900 0.082 0.000 1.246 413 Y CA -1.294 56.846 58.100 0.066 0.000 1.268 413 Y CB 0.997 39.471 38.460 0.024 0.000 1.276 413 Y HN 0.295 nan 8.280 nan 0.000 0.499 414 I N 1.265 122.033 120.570 0.330 0.000 2.436 414 I HA 0.270 4.441 4.170 0.001 0.000 0.289 414 I C -0.589 175.695 176.117 0.280 0.000 1.010 414 I CA -0.544 60.919 61.300 0.270 0.000 1.098 414 I CB 1.695 39.869 38.000 0.290 0.000 1.266 414 I HN 0.485 nan 8.210 nan 0.000 0.434 415 Q N 5.743 125.704 119.800 0.268 0.000 2.348 415 Q HA 0.385 4.726 4.340 0.001 0.000 0.265 415 Q C -1.041 175.076 176.000 0.195 0.000 0.998 415 Q CA -0.727 55.215 55.803 0.232 0.000 0.831 415 Q CB 1.059 29.936 28.738 0.231 0.000 1.251 415 Q HN 0.496 nan 8.270 nan 0.000 0.456 416 N N 4.363 123.185 118.700 0.204 0.000 2.663 416 N HA 0.010 4.751 4.740 0.001 0.000 0.250 416 N C 1.167 176.718 175.510 0.069 0.000 1.129 416 N CA 0.093 53.255 53.050 0.188 0.000 0.995 416 N CB 1.255 39.903 38.487 0.269 0.000 1.324 416 N HN 0.552 nan 8.380 nan 0.000 0.512 417 V N -0.264 119.616 119.914 -0.055 0.000 2.568 417 V HA -0.260 3.861 4.120 0.001 0.000 0.253 417 V C 1.571 177.605 176.094 -0.100 0.000 1.072 417 V CA 1.762 64.003 62.300 -0.100 0.000 1.084 417 V CB -0.403 31.245 31.823 -0.292 0.000 0.676 417 V HN 0.375 nan 8.190 nan 0.000 0.469 418 D N -0.060 120.256 120.400 -0.140 0.000 2.077 418 D HA -0.239 4.402 4.640 0.001 0.000 0.196 418 D C 1.976 178.337 176.300 0.102 0.000 0.986 418 D CA 2.060 56.029 54.000 -0.051 0.000 0.829 418 D CB -1.012 39.767 40.800 -0.036 0.000 0.983 418 D HN 0.500 nan 8.370 nan 0.000 0.453 419 H N -0.044 119.042 119.070 0.027 0.000 2.394 419 H HA -0.070 4.486 4.556 0.001 0.000 0.297 419 H C 2.278 177.628 175.328 0.037 0.000 1.113 419 H CA 0.761 56.808 56.048 -0.002 0.000 1.277 419 H CB -0.959 28.772 29.762 -0.051 0.000 1.370 419 H HN 0.300 nan 8.280 nan 0.000 0.506 420 C N 0.340 119.733 119.300 0.156 0.000 2.432 420 C HA -0.031 4.429 4.460 0.001 0.000 0.282 420 C C 2.286 177.320 174.990 0.073 0.000 1.388 420 C CA 0.679 59.749 59.018 0.087 0.000 1.777 420 C CB -0.449 27.319 27.740 0.048 0.000 1.882 420 C HN 0.602 nan 8.230 nan 0.000 0.520 421 N N -0.603 118.145 118.700 0.080 0.000 2.445 421 N HA -0.040 4.701 4.740 0.001 0.000 0.204 421 N C 1.852 177.405 175.510 0.072 0.000 1.098 421 N CA 1.387 54.480 53.050 0.072 0.000 0.859 421 N CB -0.232 38.291 38.487 0.060 0.000 1.249 421 N HN 0.611 nan 8.380 nan 0.000 0.462 422 T N -1.938 112.665 114.554 0.082 0.000 2.951 422 T HA -0.086 4.264 4.350 0.001 0.000 0.268 422 T C 0.833 175.588 174.700 0.092 0.000 1.073 422 T CA 1.141 63.281 62.100 0.066 0.000 1.134 422 T CB -0.200 68.702 68.868 0.057 0.000 0.884 422 T HN 0.070 nan 8.240 nan 0.000 0.479 423 H N 1.629 120.684 119.070 -0.025 0.000 2.317 423 H HA 0.600 5.157 4.556 0.001 0.000 0.231 423 H C -0.496 174.821 175.328 -0.019 0.000 1.442 423 H CA -0.993 55.022 56.048 -0.055 0.000 1.336 423 H CB -0.088 29.620 29.762 -0.091 0.000 1.533 423 H HN 0.436 nan 8.280 nan 0.000 0.522 424 S N 1.041 116.720 115.700 -0.035 0.000 2.632 424 S HA 0.440 4.910 4.470 0.001 0.000 0.289 424 S C -2.217 172.319 174.600 -0.108 0.000 1.115 424 S CA -1.429 56.740 58.200 -0.051 0.000 0.889 424 S CB 2.577 65.841 63.200 0.108 0.000 1.116 424 S HN 0.180 nan 8.310 nan 0.000 0.486 425 P HA 0.148 nan 4.420 nan 0.000 0.230 425 P C -0.448 176.591 177.300 -0.436 0.000 1.158 425 P CA 0.561 63.495 63.100 -0.278 0.000 0.769 425 P CB -0.188 31.360 31.700 -0.254 0.000 0.807 426 F N 0.600 120.550 119.950 -0.001 0.000 2.458 426 F HA 0.329 4.856 4.527 0.000 0.000 0.330 426 F C 0.883 176.668 175.800 -0.025 0.000 1.082 426 F CA -1.148 56.848 58.000 -0.006 0.000 0.995 426 F CB 0.604 39.606 39.000 0.002 0.000 1.170 426 F HN -0.311 nan 8.300 nan 0.000 0.478 427 D N 3.923 124.421 120.400 0.162 0.000 2.336 427 D HA 0.220 4.861 4.640 0.001 0.000 0.249 427 D C -1.882 174.472 176.300 0.089 0.000 1.213 427 D CA -2.312 51.737 54.000 0.081 0.000 0.870 427 D CB 1.285 42.105 40.800 0.034 0.000 1.076 427 D HN 0.095 nan 8.370 nan 0.000 0.483 428 P HA -0.205 nan 4.420 nan 0.000 0.217 428 P C 0.928 178.259 177.300 0.052 0.000 1.151 428 P CA 1.722 64.860 63.100 0.063 0.000 0.849 428 P CB 0.149 31.885 31.700 0.060 0.000 0.787 429 A N -1.349 121.497 122.820 0.044 0.000 2.070 429 A HA -0.119 4.201 4.320 0.001 0.000 0.220 429 A C 1.871 179.469 177.584 0.024 0.000 1.159 429 A CA 1.505 53.563 52.037 0.036 0.000 0.656 429 A CB -1.172 17.844 19.000 0.027 0.000 0.800 429 A HN 0.322 nan 8.150 nan 0.000 0.453 430 I N -5.207 115.376 120.570 0.020 0.000 4.624 430 I HA 0.450 4.620 4.170 0.001 0.000 0.327 430 I C 0.848 176.959 176.117 -0.010 0.000 1.295 430 I CA 0.547 61.845 61.300 -0.003 0.000 1.267 430 I CB 0.689 38.682 38.000 -0.012 0.000 1.249 430 I HN 0.105 nan 8.210 nan 0.000 0.440 431 A N 2.680 125.507 122.820 0.012 0.000 3.474 431 A HA 0.531 4.852 4.320 0.001 0.000 0.251 431 A C -2.859 174.672 177.584 -0.088 0.000 1.062 431 A CA -0.821 51.190 52.037 -0.044 0.000 0.945 431 A CB -0.229 18.777 19.000 0.010 0.000 1.296 431 A HN -0.064 nan 8.150 nan 0.000 0.592 432 P HA 0.309 nan 4.420 nan 0.000 0.274 432 P C -0.090 177.089 177.300 -0.202 0.000 1.237 432 P CA 0.055 63.105 63.100 -0.083 0.000 0.793 432 P CB 1.274 32.947 31.700 -0.046 0.000 0.977 433 V N 4.190 124.002 119.914 -0.171 0.000 2.383 433 V HA 0.295 4.415 4.120 0.001 0.000 0.275 433 V C 1.391 177.286 176.094 -0.332 0.000 1.036 433 V CA -0.111 62.049 62.300 -0.234 0.000 0.889 433 V CB 0.591 32.335 31.823 -0.130 0.000 0.985 433 V HN 0.589 nan 8.190 nan 0.000 0.459 434 R N 4.196 124.391 120.500 -0.509 0.000 2.569 434 R HA 0.335 4.675 4.340 0.001 0.000 0.422 434 R C -0.127 175.864 176.300 -0.515 0.000 0.980 434 R CA -0.335 55.228 56.100 -0.894 0.000 1.164 434 R CB 0.706 30.075 30.300 -1.552 0.000 1.520 434 R HN 0.861 nan 8.270 nan 0.000 0.567 435 Q N -1.348 118.169 119.800 -0.471 0.000 2.907 435 Q HA 0.476 4.816 4.340 0.001 0.000 0.310 435 Q C -1.543 173.978 176.000 -0.798 0.000 0.861 435 Q CA -0.809 54.544 55.803 -0.750 0.000 0.769 435 Q CB 1.271 29.637 28.738 -0.620 0.000 1.465 435 Q HN -0.052 nan 8.270 nan 0.000 0.449 436 S N -0.464 114.443 115.700 -1.321 0.000 2.851 436 S HA 0.617 5.087 4.470 0.001 0.000 0.317 436 S C -1.246 173.172 174.600 -0.303 0.000 1.144 436 S CA -0.282 57.535 58.200 -0.638 0.000 0.862 436 S CB 1.104 64.077 63.200 -0.378 0.000 1.259 436 S HN 0.807 nan 8.310 nan 0.000 0.564 437 N N 0.608 119.280 118.700 -0.047 0.000 2.681 437 N HA 0.187 4.928 4.740 0.001 0.000 0.311 437 N C 1.092 176.676 175.510 0.122 0.000 1.303 437 N CA -0.568 52.500 53.050 0.029 0.000 0.926 437 N CB -0.386 38.078 38.487 -0.038 0.000 1.136 437 N HN 0.489 nan 8.380 nan 0.000 0.592 438 L N 0.208 121.452 121.223 0.035 0.000 2.043 438 L HA -0.085 4.255 4.340 0.001 0.000 0.212 438 L C 1.572 178.377 176.870 -0.107 0.000 1.075 438 L CA 1.813 56.648 54.840 -0.009 0.000 0.752 438 L CB -0.608 41.440 42.059 -0.019 0.000 0.891 438 L HN 0.717 nan 8.230 nan 0.000 0.432 439 C N -0.685 118.535 119.300 -0.133 0.000 2.974 439 C HA 0.411 4.871 4.460 0.001 0.000 0.282 439 C C 1.210 176.054 174.990 -0.243 0.000 1.292 439 C CA -0.713 58.151 59.018 -0.256 0.000 1.710 439 C CB -0.497 27.123 27.740 -0.200 0.000 2.036 439 C HN 0.596 nan 8.230 nan 0.000 0.629 440 L N 1.450 122.596 121.223 -0.128 0.000 4.800 440 L HA -0.171 4.169 4.340 0.001 0.000 0.412 440 L C 1.945 178.778 176.870 -0.062 0.000 1.063 440 L CA 1.640 56.433 54.840 -0.078 0.000 1.114 440 L CB -1.873 40.084 42.059 -0.170 0.000 2.089 440 L HN 0.648 nan 8.230 nan 0.000 0.686 441 E N -0.280 119.881 120.200 -0.066 0.000 2.340 441 E HA 0.019 4.370 4.350 0.001 0.000 0.194 441 E C 0.949 177.528 176.600 -0.036 0.000 0.996 441 E CA 0.083 56.457 56.400 -0.043 0.000 0.869 441 E CB 0.464 30.142 29.700 -0.038 0.000 0.835 441 E HN 0.430 nan 8.360 nan 0.000 0.493 442 I N 2.201 122.741 120.570 -0.049 0.000 2.428 442 I HA 0.333 4.504 4.170 0.001 0.000 0.289 442 I C 0.031 176.100 176.117 -0.080 0.000 1.019 442 I CA -0.775 60.493 61.300 -0.053 0.000 1.351 442 I CB 1.030 38.992 38.000 -0.063 0.000 1.412 442 I HN 0.105 nan 8.210 nan 0.000 0.513 443 A N 8.261 131.047 122.820 -0.057 0.000 2.651 443 A HA 0.743 5.064 4.320 0.001 0.000 0.290 443 A C -0.879 176.669 177.584 -0.061 0.000 1.185 443 A CA -0.420 51.569 52.037 -0.079 0.000 0.746 443 A CB 0.563 19.538 19.000 -0.041 0.000 1.213 443 A HN 0.603 nan 8.150 nan 0.000 0.429 444 L N 1.644 122.774 121.223 -0.155 0.000 2.376 444 L HA 0.574 4.915 4.340 0.001 0.000 0.258 444 L C -2.629 174.025 176.870 -0.359 0.000 1.013 444 L CA -2.584 52.110 54.840 -0.244 0.000 0.822 444 L CB 2.799 44.768 42.059 -0.149 0.000 1.388 444 L HN 0.317 nan 8.230 nan 0.000 0.413 445 P HA 0.172 nan 4.420 nan 0.000 0.268 445 P C -0.967 176.192 177.300 -0.235 0.000 1.205 445 P CA -0.099 62.754 63.100 -0.412 0.000 0.771 445 P CB 0.720 32.121 31.700 -0.499 0.000 0.858 446 T N -0.652 113.791 114.554 -0.185 0.000 2.916 446 T HA 0.646 4.996 4.350 0.001 0.000 0.305 446 T C -1.072 173.581 174.700 -0.078 0.000 1.119 446 T CA -1.013 61.016 62.100 -0.118 0.000 1.008 446 T CB 1.924 70.712 68.868 -0.132 0.000 1.129 446 T HN 0.287 nan 8.240 nan 0.000 0.480 447 K N 2.092 122.471 120.400 -0.035 0.000 2.427 447 K HA 0.628 4.949 4.320 0.001 0.000 0.252 447 K C -2.928 173.671 176.600 -0.002 0.000 0.931 447 K CA -2.365 53.914 56.287 -0.013 0.000 0.793 447 K CB 1.818 34.318 32.500 -0.000 0.000 1.211 447 K HN 0.315 nan 8.250 nan 0.000 0.426 448 P HA -0.002 nan 4.420 nan 0.000 0.269 448 P C -0.999 176.310 177.300 0.015 0.000 1.217 448 P CA -0.244 62.862 63.100 0.009 0.000 0.783 448 P CB 0.464 32.175 31.700 0.018 0.000 0.898 449 L N 2.285 123.519 121.223 0.017 0.000 2.331 449 L HA 0.401 4.741 4.340 0.001 0.000 0.268 449 L C 1.436 178.321 176.870 0.026 0.000 1.015 449 L CA -0.002 54.852 54.840 0.024 0.000 0.807 449 L CB 0.784 42.860 42.059 0.028 0.000 1.293 449 L HN 0.246 nan 8.230 nan 0.000 0.451 450 N N -0.574 118.143 118.700 0.027 0.000 2.523 450 N HA 0.055 4.795 4.740 0.001 0.000 0.209 450 N C -0.349 175.179 175.510 0.031 0.000 1.039 450 N CA 0.292 53.358 53.050 0.027 0.000 1.002 450 N CB 0.061 38.562 38.487 0.024 0.000 1.270 450 N HN 0.637 nan 8.380 nan 0.000 0.481 451 D N -0.930 119.488 120.400 0.030 0.000 2.432 451 D HA 0.192 4.832 4.640 0.001 0.000 0.258 451 D C 1.445 177.764 176.300 0.033 0.000 1.146 451 D CA -0.317 53.702 54.000 0.031 0.000 1.015 451 D CB 1.638 42.453 40.800 0.026 0.000 1.107 451 D HN -0.155 nan 8.370 nan 0.000 0.529 452 V N 0.808 120.741 119.914 0.032 0.000 2.453 452 V HA -0.175 3.945 4.120 0.001 0.000 0.252 452 V C 1.229 177.339 176.094 0.026 0.000 1.068 452 V CA 1.475 63.792 62.300 0.029 0.000 1.070 452 V CB -0.655 31.179 31.823 0.019 0.000 0.664 452 V HN 0.509 nan 8.190 nan 0.000 0.461 453 N N -0.392 118.322 118.700 0.024 0.000 2.214 453 N HA 0.102 4.843 4.740 0.001 0.000 0.214 453 N C 0.135 175.660 175.510 0.025 0.000 1.132 453 N CA -0.021 53.042 53.050 0.022 0.000 0.856 453 N CB 0.111 38.608 38.487 0.017 0.000 1.020 453 N HN 0.563 nan 8.380 nan 0.000 0.509 454 D N 1.478 121.894 120.400 0.028 0.000 2.502 454 D HA -0.062 4.578 4.640 0.001 0.000 0.249 454 D C 1.162 177.481 176.300 0.032 0.000 1.188 454 D CA 0.451 54.468 54.000 0.028 0.000 0.890 454 D CB 0.795 41.613 40.800 0.029 0.000 1.140 454 D HN -0.042 nan 8.370 nan 0.000 0.505 455 E N 2.727 122.946 120.200 0.032 0.000 2.347 455 E HA -0.096 4.254 4.350 0.001 0.000 0.196 455 E C 0.573 177.204 176.600 0.051 0.000 1.008 455 E CA 0.558 56.981 56.400 0.039 0.000 0.852 455 E CB 0.075 29.796 29.700 0.035 0.000 0.783 455 E HN 0.525 nan 8.360 nan 0.000 0.505 456 N N 0.422 119.147 118.700 0.041 0.000 2.270 456 N HA 0.046 4.786 4.740 0.001 0.000 0.198 456 N C 0.664 176.200 175.510 0.043 0.000 1.117 456 N CA 0.183 53.257 53.050 0.040 0.000 0.845 456 N CB 0.536 39.036 38.487 0.021 0.000 0.980 456 N HN -0.023 nan 8.380 nan 0.000 0.486 457 G N 0.209 109.036 108.800 0.045 0.000 2.539 457 G HA2 0.257 4.217 3.960 0.001 0.000 0.258 457 G HA3 0.257 4.217 3.960 0.001 0.000 0.258 457 G C -0.561 174.375 174.900 0.060 0.000 1.202 457 G CA -0.198 44.928 45.100 0.042 0.000 0.851 457 G HN 0.108 nan 8.290 nan 0.000 0.556 458 E N 0.415 120.642 120.200 0.045 0.000 2.265 458 E HA 0.359 4.710 4.350 0.001 0.000 0.262 458 E C -1.004 175.598 176.600 0.004 0.000 0.889 458 E CA -0.516 55.913 56.400 0.050 0.000 0.789 458 E CB 1.380 31.135 29.700 0.092 0.000 1.221 458 E HN 0.354 nan 8.360 nan 0.000 0.414 459 I N 3.437 124.005 120.570 -0.003 0.000 2.355 459 I HA 0.404 4.574 4.170 0.001 0.000 0.288 459 I C 0.267 176.350 176.117 -0.057 0.000 0.999 459 I CA -0.672 60.611 61.300 -0.029 0.000 1.163 459 I CB 1.616 39.624 38.000 0.012 0.000 1.316 459 I HN 0.506 nan 8.210 nan 0.000 0.454 460 A N 7.730 130.497 122.820 -0.088 0.000 2.425 460 A HA 0.711 5.031 4.320 0.001 0.000 0.249 460 A C -0.511 177.011 177.584 -0.103 0.000 1.084 460 A CA 0.010 51.989 52.037 -0.096 0.000 0.781 460 A CB 0.385 19.313 19.000 -0.120 0.000 1.019 460 A HN 0.699 nan 8.150 nan 0.000 0.490 461 L N 1.206 122.387 121.223 -0.071 0.000 2.341 461 L HA 0.497 4.838 4.340 0.001 0.000 0.267 461 L C -0.195 176.650 176.870 -0.042 0.000 1.009 461 L CA -0.710 54.091 54.840 -0.065 0.000 0.819 461 L CB 2.132 44.194 42.059 0.004 0.000 1.323 461 L HN 0.889 nan 8.230 nan 0.000 0.425 462 c N -0.699 117.874 118.600 -0.044 0.000 2.239 462 c HA 0.702 5.273 4.570 0.001 0.000 0.325 462 c C 0.196 174.283 174.090 -0.006 0.000 1.231 462 c CA -0.604 55.710 56.329 -0.025 0.000 1.652 462 c CB -0.351 42.138 42.510 -0.035 0.000 2.284 462 c HN 0.771 nan 8.230 nan 0.000 0.499 463 T N 6.254 120.808 114.554 -0.001 0.000 2.801 463 T HA 0.526 4.876 4.350 0.001 0.000 0.306 463 T C -0.151 174.540 174.700 -0.016 0.000 1.020 463 T CA -0.156 61.944 62.100 -0.000 0.000 0.948 463 T CB 0.360 69.231 68.868 0.005 0.000 0.962 463 T HN 0.683 nan 8.240 nan 0.000 0.465 464 L N 2.107 123.320 121.223 -0.016 0.000 2.342 464 L HA 0.819 5.160 4.340 0.001 0.000 0.271 464 L C 0.210 177.059 176.870 -0.035 0.000 1.008 464 L CA -0.692 54.134 54.840 -0.025 0.000 0.818 464 L CB 2.153 44.205 42.059 -0.010 0.000 1.296 464 L HN 0.598 nan 8.230 nan 0.000 0.427 465 S N 0.190 115.849 115.700 -0.069 0.000 2.727 465 S HA 0.904 5.374 4.470 0.001 0.000 0.278 465 S C -1.711 172.790 174.600 -0.165 0.000 1.186 465 S CA -0.328 57.815 58.200 -0.094 0.000 0.836 465 S CB 2.202 65.334 63.200 -0.113 0.000 1.186 465 S HN 0.772 nan 8.310 nan 0.000 0.499 466 A N 0.716 123.411 122.820 -0.207 0.000 2.566 466 A HA 0.742 5.062 4.320 0.001 0.000 0.297 466 A C -1.816 175.623 177.584 -0.242 0.000 1.059 466 A CA -0.613 51.277 52.037 -0.246 0.000 0.691 466 A CB 0.467 19.436 19.000 -0.052 0.000 1.282 466 A HN 0.441 nan 8.150 nan 0.000 0.401 467 F N 1.330 121.292 119.950 0.019 0.000 2.382 467 F HA 0.413 4.941 4.527 0.001 0.000 0.331 467 F C 1.049 176.863 175.800 0.024 0.000 1.121 467 F CA -0.542 57.458 58.000 0.001 0.000 1.183 467 F CB 0.867 39.840 39.000 -0.045 0.000 1.207 467 F HN 0.583 nan 8.300 nan 0.000 0.555 468 N N 2.884 121.730 118.700 0.243 0.000 2.678 468 N HA 0.177 4.917 4.740 0.001 0.000 0.231 468 N C 0.715 176.332 175.510 0.178 0.000 1.038 468 N CA 0.011 53.177 53.050 0.193 0.000 0.932 468 N CB 0.211 38.807 38.487 0.182 0.000 1.176 468 N HN 0.673 nan 8.380 nan 0.000 0.511 469 L N 1.313 122.625 121.223 0.147 0.000 2.263 469 L HA -0.107 4.233 4.340 0.001 0.000 0.216 469 L C 1.956 179.019 176.870 0.322 0.000 1.111 469 L CA 1.412 56.303 54.840 0.084 0.000 0.773 469 L CB -0.191 41.767 42.059 -0.170 0.000 0.906 469 L HN 0.527 nan 8.230 nan 0.000 0.439 470 G N -1.223 107.806 108.800 0.382 0.000 2.880 470 G HA2 0.161 4.122 3.960 0.001 0.000 0.209 470 G HA3 0.161 4.122 3.960 0.001 0.000 0.209 470 G C 1.298 176.416 174.900 0.364 0.000 1.157 470 G CA 0.577 45.990 45.100 0.521 0.000 0.779 470 G HN 0.426 nan 8.290 nan 0.000 0.539 471 A N 0.168 123.132 122.820 0.239 0.000 2.431 471 A HA 0.551 4.871 4.320 0.001 0.000 0.239 471 A C 0.817 178.461 177.584 0.101 0.000 1.230 471 A CA -0.311 51.822 52.037 0.161 0.000 0.928 471 A CB -0.105 18.982 19.000 0.144 0.000 1.006 471 A HN 0.502 nan 8.150 nan 0.000 0.520 472 I N -3.910 116.727 120.570 0.111 0.000 2.428 472 I HA 0.465 4.636 4.170 0.001 0.000 0.296 472 I C 0.421 176.587 176.117 0.082 0.000 0.985 472 I CA -0.739 60.595 61.300 0.057 0.000 1.260 472 I CB 1.034 39.041 38.000 0.012 0.000 1.389 472 I HN -0.129 nan 8.210 nan 0.000 0.484 473 N N 3.341 122.064 118.700 0.038 0.000 2.402 473 N HA 0.014 4.755 4.740 0.001 0.000 0.174 473 N C -0.230 175.308 175.510 0.046 0.000 1.027 473 N CA 0.563 53.635 53.050 0.036 0.000 0.891 473 N CB -0.037 38.453 38.487 0.004 0.000 1.016 473 N HN 0.933 nan 8.380 nan 0.000 0.439 474 N N -1.664 117.056 118.700 0.033 0.000 2.647 474 N HA 0.219 4.960 4.740 0.001 0.000 0.266 474 N C 0.086 175.617 175.510 0.036 0.000 1.373 474 N CA -0.634 52.446 53.050 0.050 0.000 0.807 474 N CB 1.081 39.583 38.487 0.026 0.000 1.513 474 N HN -0.270 nan 8.380 nan 0.000 0.505 475 L N -0.388 120.875 121.223 0.067 0.000 2.450 475 L HA -0.038 4.303 4.340 0.001 0.000 0.224 475 L C 0.651 177.564 176.870 0.072 0.000 1.149 475 L CA 0.894 55.775 54.840 0.068 0.000 0.816 475 L CB -0.313 41.824 42.059 0.129 0.000 0.932 475 L HN 0.683 nan 8.230 nan 0.000 0.449 476 D N -0.620 119.807 120.400 0.046 0.000 2.350 476 D HA -0.099 4.542 4.640 0.001 0.000 0.213 476 D C 1.765 177.928 176.300 -0.228 0.000 1.031 476 D CA 0.334 54.320 54.000 -0.024 0.000 0.861 476 D CB 0.396 41.235 40.800 0.065 0.000 0.926 476 D HN 0.363 nan 8.370 nan 0.000 0.520 477 E N 0.490 120.589 120.200 -0.169 0.000 2.265 477 E HA -0.067 4.283 4.350 0.001 0.000 0.196 477 E C 1.868 178.283 176.600 -0.309 0.000 0.996 477 E CA 0.241 56.520 56.400 -0.200 0.000 0.832 477 E CB 0.075 29.699 29.700 -0.127 0.000 0.756 477 E HN 0.252 nan 8.360 nan 0.000 0.491 478 L N 0.641 121.636 121.223 -0.380 0.000 2.642 478 L HA -0.138 4.202 4.340 0.001 0.000 0.236 478 L C 2.251 178.731 176.870 -0.650 0.000 1.169 478 L CA 0.626 55.153 54.840 -0.522 0.000 0.851 478 L CB -0.210 41.588 42.059 -0.436 0.000 0.968 478 L HN 0.227 nan 8.230 nan 0.000 0.453 479 E N 0.383 120.057 120.200 -0.877 0.000 2.051 479 E HA -0.206 4.145 4.350 0.001 0.000 0.189 479 E C 1.843 178.241 176.600 -0.337 0.000 0.979 479 E CA 0.966 56.860 56.400 -0.843 0.000 0.803 479 E CB 0.264 29.415 29.700 -0.915 0.000 0.761 479 E HN 0.432 nan 8.360 nan 0.000 0.451 480 E N 0.866 120.908 120.200 -0.263 0.000 2.031 480 E HA -0.172 4.179 4.350 0.001 0.000 0.193 480 E C 2.170 178.732 176.600 -0.063 0.000 0.994 480 E CA 1.216 57.536 56.400 -0.133 0.000 0.800 480 E CB -0.230 29.392 29.700 -0.130 0.000 0.752 480 E HN 0.248 nan 8.360 nan 0.000 0.447 481 L N 0.500 121.660 121.223 -0.104 0.000 2.079 481 L HA -0.245 4.095 4.340 0.001 0.000 0.210 481 L C 2.444 179.429 176.870 0.190 0.000 1.081 481 L CA 1.158 56.006 54.840 0.013 0.000 0.752 481 L CB -0.595 41.412 42.059 -0.087 0.000 0.896 481 L HN 0.179 nan 8.230 nan 0.000 0.433 482 A N 0.441 123.282 122.820 0.036 0.000 1.883 482 A HA -0.208 4.112 4.320 0.001 0.000 0.217 482 A C 2.215 179.910 177.584 0.184 0.000 1.186 482 A CA 1.775 53.932 52.037 0.201 0.000 0.624 482 A CB -0.710 18.336 19.000 0.076 0.000 0.822 482 A HN 0.364 nan 8.150 nan 0.000 0.444 483 I N -0.360 120.279 120.570 0.115 0.000 2.163 483 I HA -0.239 3.931 4.170 0.001 0.000 0.243 483 I C 2.293 178.552 176.117 0.236 0.000 1.085 483 I CA 0.846 62.236 61.300 0.149 0.000 1.347 483 I CB -0.361 37.720 38.000 0.136 0.000 1.044 483 I HN 0.222 nan 8.210 nan 0.000 0.408 484 L N 0.710 122.098 121.223 0.275 0.000 2.017 484 L HA -0.183 4.157 4.340 0.001 0.000 0.208 484 L C 2.871 180.015 176.870 0.457 0.000 1.073 484 L CA 2.320 57.419 54.840 0.431 0.000 0.745 484 L CB -1.885 40.425 42.059 0.419 0.000 0.894 484 L HN 0.254 nan 8.230 nan 0.000 0.432 485 A N -0.592 122.446 122.820 0.364 0.000 1.877 485 A HA -0.152 4.168 4.320 0.001 0.000 0.216 485 A C 2.464 180.128 177.584 0.134 0.000 1.186 485 A CA 1.938 54.133 52.037 0.264 0.000 0.620 485 A CB -0.823 18.282 19.000 0.174 0.000 0.822 485 A HN 0.224 nan 8.150 nan 0.000 0.443 486 V N -0.295 119.696 119.914 0.127 0.000 2.358 486 V HA -0.242 3.879 4.120 0.001 0.000 0.246 486 V C 2.655 178.751 176.094 0.004 0.000 1.047 486 V CA 2.289 64.620 62.300 0.051 0.000 1.035 486 V CB -0.774 31.080 31.823 0.052 0.000 0.658 486 V HN 0.516 nan 8.190 nan 0.000 0.452 487 R N -0.147 120.376 120.500 0.039 0.000 2.092 487 R HA -0.031 4.310 4.340 0.001 0.000 0.231 487 R C 2.375 178.489 176.300 -0.311 0.000 1.119 487 R CA 1.358 57.441 56.100 -0.028 0.000 0.970 487 R CB -0.483 29.885 30.300 0.114 0.000 0.864 487 R HN 0.535 nan 8.270 nan 0.000 0.440 488 A N 0.755 123.329 122.820 -0.410 0.000 1.897 488 A HA -0.062 4.258 4.320 0.001 0.000 0.215 488 A C 2.076 179.379 177.584 -0.467 0.000 1.181 488 A CA 0.915 52.474 52.037 -0.796 0.000 0.620 488 A CB -0.365 18.109 19.000 -0.877 0.000 0.821 488 A HN 0.164 nan 8.150 nan 0.000 0.443 489 L N -0.783 120.295 121.223 -0.241 0.000 2.056 489 L HA -0.170 4.170 4.340 0.001 0.000 0.207 489 L C 2.351 179.132 176.870 -0.149 0.000 1.078 489 L CA 1.707 56.447 54.840 -0.165 0.000 0.749 489 L CB -0.540 41.466 42.059 -0.087 0.000 0.901 489 L HN 0.401 nan 8.230 nan 0.000 0.433 490 D N 0.056 120.373 120.400 -0.138 0.000 2.123 490 D HA -0.192 4.449 4.640 0.001 0.000 0.196 490 D C 2.173 178.403 176.300 -0.116 0.000 0.992 490 D CA 1.387 55.325 54.000 -0.103 0.000 0.833 490 D CB 0.145 40.895 40.800 -0.082 0.000 0.954 490 D HN 0.259 nan 8.370 nan 0.000 0.455 491 A N 0.017 122.720 122.820 -0.196 0.000 1.908 491 A HA -0.149 4.171 4.320 0.001 0.000 0.218 491 A C 2.136 179.638 177.584 -0.137 0.000 1.181 491 A CA 1.409 53.332 52.037 -0.189 0.000 0.627 491 A CB -0.949 17.820 19.000 -0.384 0.000 0.818 491 A HN 0.383 nan 8.150 nan 0.000 0.445 492 L N -0.063 121.034 121.223 -0.210 0.000 1.990 492 L HA -0.183 4.157 4.340 0.001 0.000 0.213 492 L C 2.345 179.211 176.870 -0.006 0.000 1.072 492 L CA 1.887 56.623 54.840 -0.174 0.000 0.755 492 L CB -0.633 41.286 42.059 -0.234 0.000 0.889 492 L HN 0.439 nan 8.230 nan 0.000 0.432 493 L N -0.525 120.703 121.223 0.009 0.000 2.064 493 L HA -0.318 4.022 4.340 0.001 0.000 0.216 493 L C 2.239 179.208 176.870 0.165 0.000 1.077 493 L CA 1.786 56.691 54.840 0.108 0.000 0.766 493 L CB -0.873 41.220 42.059 0.057 0.000 0.890 493 L HN 0.397 nan 8.230 nan 0.000 0.435 494 D N -1.590 118.863 120.400 0.088 0.000 2.137 494 D HA -0.182 4.459 4.640 0.001 0.000 0.202 494 D C 1.919 178.269 176.300 0.083 0.000 0.970 494 D CA 0.939 54.988 54.000 0.082 0.000 0.837 494 D CB -0.264 40.550 40.800 0.022 0.000 0.981 494 D HN 0.310 nan 8.370 nan 0.000 0.475 495 Y N 2.004 122.268 120.300 -0.059 0.000 2.165 495 Y HA -0.202 4.348 4.550 0.001 0.000 0.286 495 Y C 1.259 177.144 175.900 -0.024 0.000 1.155 495 Y CA 1.222 59.272 58.100 -0.082 0.000 1.164 495 Y CB 0.085 38.453 38.460 -0.154 0.000 0.978 495 Y HN 0.012 nan 8.280 nan 0.000 0.513 496 Q N 0.695 120.597 119.800 0.169 0.000 2.256 496 Q HA 0.248 4.588 4.340 0.001 0.000 0.232 496 Q C -0.941 174.911 176.000 -0.246 0.000 0.965 496 Q CA -0.921 54.946 55.803 0.105 0.000 0.908 496 Q CB 1.239 30.073 28.738 0.160 0.000 1.209 496 Q HN 0.126 nan 8.270 nan 0.000 0.489 497 D N -0.135 120.079 120.400 -0.309 0.000 2.437 497 D HA 0.354 4.994 4.640 0.001 0.000 0.259 497 D C -1.138 174.750 176.300 -0.686 0.000 1.118 497 D CA -0.159 53.620 54.000 -0.370 0.000 1.017 497 D CB 0.682 41.382 40.800 -0.167 0.000 1.120 497 D HN 0.452 nan 8.370 nan 0.000 0.541 498 Y N -0.422 119.882 120.300 0.007 0.000 2.331 498 Y HA 0.248 4.799 4.550 0.001 0.000 0.326 498 Y C -1.547 174.334 175.900 -0.032 0.000 1.020 498 Y CA -1.342 56.770 58.100 0.021 0.000 1.136 498 Y CB 1.691 40.169 38.460 0.030 0.000 1.157 498 Y HN 0.148 nan 8.280 nan 0.000 0.444 499 P HA -0.051 nan 4.420 nan 0.000 0.208 499 P C -0.064 177.214 177.300 -0.037 0.000 1.203 499 P CA 0.987 64.023 63.100 -0.106 0.000 0.920 499 P CB 0.462 31.951 31.700 -0.351 0.000 0.769 500 I N 1.560 122.111 120.570 -0.032 0.000 2.517 500 I HA 0.046 4.216 4.170 0.001 0.000 0.285 500 I C -1.386 174.780 176.117 0.081 0.000 1.106 500 I CA -2.178 59.145 61.300 0.038 0.000 1.402 500 I CB -0.238 37.818 38.000 0.093 0.000 1.399 500 I HN -0.027 nan 8.210 nan 0.000 0.535 501 P HA -0.222 nan 4.420 nan 0.000 0.218 501 P C 1.343 178.650 177.300 0.012 0.000 1.154 501 P CA 1.827 64.944 63.100 0.028 0.000 0.872 501 P CB 0.279 31.993 31.700 0.023 0.000 0.790 502 A N -1.128 121.714 122.820 0.036 0.000 2.209 502 A HA 0.153 4.473 4.320 0.001 0.000 0.212 502 A C 2.152 179.747 177.584 0.019 0.000 1.158 502 A CA 1.462 53.520 52.037 0.035 0.000 0.742 502 A CB -0.999 18.029 19.000 0.047 0.000 0.790 502 A HN 0.236 nan 8.150 nan 0.000 0.472 503 A N -0.336 122.507 122.820 0.038 0.000 1.997 503 A HA 0.121 4.441 4.320 0.001 0.000 0.212 503 A C 1.990 179.474 177.584 -0.166 0.000 1.178 503 A CA 1.207 53.268 52.037 0.040 0.000 0.698 503 A CB -0.236 18.916 19.000 0.253 0.000 0.842 503 A HN 0.437 nan 8.150 nan 0.000 0.458 504 K N -0.088 120.127 120.400 -0.308 0.000 1.991 504 K HA -0.167 4.153 4.320 0.001 0.000 0.212 504 K C 2.250 178.565 176.600 -0.474 0.000 1.049 504 K CA 1.298 57.137 56.287 -0.746 0.000 0.932 504 K CB -0.222 32.009 32.500 -0.449 0.000 0.717 504 K HN 0.241 nan 8.250 nan 0.000 0.441 505 R N -0.266 120.083 120.500 -0.252 0.000 2.134 505 R HA -0.177 4.163 4.340 0.001 0.000 0.248 505 R C 2.336 178.427 176.300 -0.350 0.000 1.143 505 R CA 1.855 57.839 56.100 -0.194 0.000 0.957 505 R CB -0.898 29.410 30.300 0.013 0.000 0.867 505 R HN 0.493 nan 8.270 nan 0.000 0.441 506 G N 0.101 108.756 108.800 -0.240 0.000 2.414 506 G HA2 -0.205 3.756 3.960 0.001 0.000 0.215 506 G HA3 -0.205 3.756 3.960 0.001 0.000 0.215 506 G C 1.582 176.299 174.900 -0.304 0.000 1.188 506 G CA 0.907 45.864 45.100 -0.237 0.000 0.783 506 G HN 0.449 nan 8.290 nan 0.000 0.537 507 A N 0.484 123.132 122.820 -0.288 0.000 1.877 507 A HA 0.014 4.335 4.320 0.001 0.000 0.216 507 A C 2.421 179.838 177.584 -0.279 0.000 1.186 507 A CA 2.095 53.994 52.037 -0.230 0.000 0.620 507 A CB -0.320 18.558 19.000 -0.204 0.000 0.822 507 A HN 0.300 nan 8.150 nan 0.000 0.443 508 M N -0.656 118.712 119.600 -0.388 0.000 2.288 508 M HA -0.013 4.467 4.480 0.001 0.000 0.266 508 M C 2.253 178.276 176.300 -0.461 0.000 1.072 508 M CA 1.286 56.380 55.300 -0.343 0.000 1.132 508 M CB -1.715 30.698 32.600 -0.312 0.000 1.386 508 M HN 0.471 nan 8.290 nan 0.000 0.432 509 G N 0.431 108.758 108.800 -0.789 0.000 2.396 509 G HA2 -0.137 3.823 3.960 0.001 0.000 0.214 509 G HA3 -0.137 3.823 3.960 0.001 0.000 0.214 509 G C 1.787 176.193 174.900 -0.823 0.000 1.166 509 G CA 0.206 44.412 45.100 -1.490 0.000 0.793 509 G HN 0.451 nan 8.290 nan 0.000 0.533 510 R N -1.051 119.190 120.500 -0.432 0.000 2.419 510 R HA 0.265 4.606 4.340 0.001 0.000 0.235 510 R C 0.541 176.829 176.300 -0.020 0.000 0.899 510 R CA -0.415 55.653 56.100 -0.054 0.000 1.048 510 R CB 0.483 30.863 30.300 0.133 0.000 1.182 510 R HN 0.096 nan 8.270 nan 0.000 0.544 511 R N 1.924 122.364 120.500 -0.099 0.000 3.502 511 R HA -0.123 4.218 4.340 0.001 0.000 0.266 511 R C -0.474 175.817 176.300 -0.014 0.000 1.077 511 R CA 1.169 57.232 56.100 -0.061 0.000 0.718 511 R CB -2.231 28.029 30.300 -0.066 0.000 1.120 511 R HN 0.394 nan 8.270 nan 0.000 0.457 512 T N -0.968 113.596 114.554 0.016 0.000 2.817 512 T HA 0.439 4.789 4.350 0.001 0.000 0.295 512 T C 0.822 175.537 174.700 0.025 0.000 0.958 512 T CA -0.414 61.719 62.100 0.056 0.000 1.157 512 T CB 0.926 69.860 68.868 0.110 0.000 0.898 512 T HN 0.221 nan 8.240 nan 0.000 0.536 513 L N 2.274 123.507 121.223 0.016 0.000 2.298 513 L HA 0.857 5.197 4.340 0.001 0.000 0.268 513 L C 0.752 177.625 176.870 0.005 0.000 1.010 513 L CA -1.448 53.392 54.840 -0.001 0.000 0.812 513 L CB 1.759 43.807 42.059 -0.018 0.000 1.331 513 L HN 0.887 nan 8.230 nan 0.000 0.450 514 G N 1.380 110.173 108.800 -0.012 0.000 2.975 514 G HA2 0.584 4.544 3.960 0.001 0.000 0.299 514 G HA3 0.584 4.544 3.960 0.001 0.000 0.299 514 G C -1.077 173.795 174.900 -0.045 0.000 1.587 514 G CA -0.167 44.925 45.100 -0.012 0.000 1.052 514 G HN 0.328 nan 8.290 nan 0.000 0.545 515 I N 2.424 122.953 120.570 -0.067 0.000 2.339 515 I HA 0.588 4.758 4.170 0.001 0.000 0.290 515 I C 1.024 177.055 176.117 -0.144 0.000 0.994 515 I CA -0.370 60.823 61.300 -0.179 0.000 1.191 515 I CB 1.951 39.776 38.000 -0.291 0.000 1.343 515 I HN 0.440 nan 8.210 nan 0.000 0.458 516 G N 5.179 113.890 108.800 -0.150 0.000 3.008 516 G HA2 0.775 4.736 3.960 0.001 0.000 0.181 516 G HA3 0.775 4.736 3.960 0.001 0.000 0.181 516 G C -0.669 174.216 174.900 -0.025 0.000 1.309 516 G CA -0.411 44.667 45.100 -0.036 0.000 1.009 516 G HN 0.511 nan 8.290 nan 0.000 0.584 517 V N -1.478 118.478 119.914 0.070 0.000 2.962 517 V HA 0.828 4.948 4.120 0.001 0.000 0.313 517 V C -0.268 175.907 176.094 0.134 0.000 1.099 517 V CA -1.044 61.321 62.300 0.108 0.000 0.971 517 V CB 1.326 33.214 31.823 0.108 0.000 1.028 517 V HN 1.029 nan 8.190 nan 0.000 0.430 518 I N -0.298 120.366 120.570 0.156 0.000 3.023 518 I HA 0.757 4.927 4.170 0.001 0.000 0.312 518 I C 0.532 176.799 176.117 0.250 0.000 1.056 518 I CA -0.703 60.712 61.300 0.192 0.000 1.033 518 I CB 1.931 40.025 38.000 0.156 0.000 1.233 518 I HN 0.740 nan 8.210 nan 0.000 0.462 519 N N 0.524 119.399 118.700 0.292 0.000 2.782 519 N HA -0.263 4.477 4.740 0.001 0.000 0.251 519 N C 0.169 175.946 175.510 0.444 0.000 1.101 519 N CA 1.027 54.295 53.050 0.365 0.000 0.764 519 N CB -1.234 37.464 38.487 0.351 0.000 1.122 519 N HN 0.848 nan 8.380 nan 0.000 0.561 520 F N 0.429 120.548 119.950 0.281 0.000 2.171 520 F HA 0.053 4.580 4.527 0.001 0.000 0.300 520 F C 2.050 178.053 175.800 0.339 0.000 1.090 520 F CA 1.959 60.122 58.000 0.272 0.000 1.293 520 F CB -0.486 38.668 39.000 0.256 0.000 1.013 520 F HN 0.220 nan 8.300 nan 0.000 0.486 521 A N -0.623 122.391 122.820 0.324 0.000 1.872 521 A HA -0.214 4.107 4.320 0.001 0.000 0.214 521 A C 2.124 179.812 177.584 0.174 0.000 1.187 521 A CA 1.440 53.653 52.037 0.292 0.000 0.614 521 A CB -1.705 17.625 19.000 0.551 0.000 0.826 521 A HN 0.570 nan 8.150 nan 0.000 0.442 522 Y N -0.937 119.485 120.300 0.203 0.000 2.207 522 Y HA -0.285 4.265 4.550 0.001 0.000 0.287 522 Y C 2.120 178.045 175.900 0.042 0.000 1.156 522 Y CA 1.837 59.995 58.100 0.097 0.000 1.182 522 Y CB -0.721 37.884 38.460 0.241 0.000 0.979 522 Y HN 0.439 nan 8.280 nan 0.000 0.521 523 Y N 0.355 120.564 120.300 -0.153 0.000 2.049 523 Y HA -0.319 4.231 4.550 0.001 0.000 0.277 523 Y C 2.334 178.098 175.900 -0.226 0.000 1.143 523 Y CA 2.358 60.350 58.100 -0.179 0.000 1.115 523 Y CB -0.792 37.656 38.460 -0.020 0.000 0.975 523 Y HN 0.151 nan 8.280 nan 0.000 0.487 524 L N -0.386 120.662 121.223 -0.292 0.000 2.127 524 L HA -0.294 4.047 4.340 0.001 0.000 0.211 524 L C 2.682 179.356 176.870 -0.327 0.000 1.089 524 L CA 1.205 55.806 54.840 -0.400 0.000 0.757 524 L CB -1.057 40.665 42.059 -0.563 0.000 0.899 524 L HN 0.463 nan 8.230 nan 0.000 0.434 525 A N 1.211 123.814 122.820 -0.362 0.000 1.841 525 A HA -0.226 4.094 4.320 0.001 0.000 0.214 525 A C 2.110 179.451 177.584 -0.405 0.000 1.195 525 A CA 1.829 53.617 52.037 -0.415 0.000 0.611 525 A CB -0.466 18.104 19.000 -0.717 0.000 0.835 525 A HN 0.505 nan 8.150 nan 0.000 0.443 526 K N -0.945 119.136 120.400 -0.532 0.000 2.569 526 K HA -0.013 4.307 4.320 0.001 0.000 0.193 526 K C 0.074 176.326 176.600 -0.580 0.000 1.026 526 K CA 1.044 57.011 56.287 -0.533 0.000 1.093 526 K CB -0.385 31.703 32.500 -0.687 0.000 0.849 526 K HN 0.610 nan 8.250 nan 0.000 0.509 527 H N -0.241 118.572 119.070 -0.428 0.000 2.662 527 H HA 0.229 4.785 4.556 0.001 0.000 0.268 527 H C 0.415 175.587 175.328 -0.260 0.000 1.152 527 H CA 0.226 56.060 56.048 -0.358 0.000 1.072 527 H CB 1.347 30.834 29.762 -0.459 0.000 1.660 527 H HN 0.472 nan 8.280 nan 0.000 0.584 528 G N 1.743 110.440 108.800 -0.171 0.000 2.341 528 G HA2 -0.296 3.664 3.960 0.001 0.000 0.292 528 G HA3 -0.296 3.664 3.960 0.001 0.000 0.292 528 G C -0.001 174.840 174.900 -0.099 0.000 1.021 528 G CA 0.398 45.420 45.100 -0.130 0.000 0.905 528 G HN 0.200 nan 8.290 nan 0.000 0.508 529 K N -0.657 119.672 120.400 -0.119 0.000 2.331 529 K HA 0.815 5.135 4.320 0.001 0.000 0.238 529 K C 0.687 177.237 176.600 -0.083 0.000 1.058 529 K CA -0.701 55.527 56.287 -0.099 0.000 0.871 529 K CB 1.721 34.145 32.500 -0.125 0.000 1.292 529 K HN 0.656 nan 8.250 nan 0.000 0.470 530 R N -1.089 119.382 120.500 -0.050 0.000 2.752 530 R HA 0.359 4.699 4.340 0.001 0.000 0.271 530 R C 0.211 176.544 176.300 0.055 0.000 1.026 530 R CA -0.781 55.338 56.100 0.031 0.000 0.901 530 R CB 0.027 30.394 30.300 0.112 0.000 1.243 530 R HN 0.396 nan 8.270 nan 0.000 0.463 531 Y N 0.519 120.863 120.300 0.075 0.000 2.206 531 Y HA -0.108 4.442 4.550 0.001 0.000 0.292 531 Y C 2.725 178.701 175.900 0.126 0.000 1.123 531 Y CA 2.284 60.464 58.100 0.133 0.000 1.142 531 Y CB 0.159 38.739 38.460 0.199 0.000 1.006 531 Y HN 0.765 nan 8.280 nan 0.000 0.518 532 S N -0.590 115.277 115.700 0.279 0.000 2.489 532 S HA -0.104 4.367 4.470 0.001 0.000 0.228 532 S C 1.001 175.686 174.600 0.142 0.000 0.995 532 S CA 1.196 59.513 58.200 0.196 0.000 0.934 532 S CB -0.320 62.968 63.200 0.147 0.000 0.771 532 S HN 0.611 nan 8.310 nan 0.000 0.522 533 D N -0.904 119.566 120.400 0.116 0.000 2.500 533 D HA 0.283 4.924 4.640 0.001 0.000 0.217 533 D C 1.256 177.588 176.300 0.053 0.000 1.159 533 D CA 0.358 54.405 54.000 0.078 0.000 0.828 533 D CB -0.396 40.443 40.800 0.064 0.000 1.039 533 D HN 0.462 nan 8.370 nan 0.000 0.512 534 G N 0.797 109.627 108.800 0.050 0.000 2.148 534 G HA2 -0.357 3.603 3.960 0.001 0.000 0.254 534 G HA3 -0.357 3.603 3.960 0.001 0.000 0.254 534 G C 1.145 176.047 174.900 0.002 0.000 0.981 534 G CA 0.854 45.964 45.100 0.015 0.000 0.670 534 G HN 0.733 nan 8.290 nan 0.000 0.528 535 S N -1.239 114.465 115.700 0.007 0.000 2.507 535 S HA 0.402 4.872 4.470 0.001 0.000 0.235 535 S C 1.964 176.552 174.600 -0.020 0.000 0.988 535 S CA 1.257 59.453 58.200 -0.007 0.000 0.944 535 S CB 0.179 63.376 63.200 -0.005 0.000 0.762 535 S HN 1.732 nan 8.310 nan 0.000 0.526 536 A N 0.672 123.481 122.820 -0.019 0.000 2.431 536 A HA 0.385 4.706 4.320 0.001 0.000 0.239 536 A C 1.548 179.148 177.584 0.028 0.000 1.230 536 A CA -0.258 51.766 52.037 -0.021 0.000 0.928 536 A CB -0.125 18.825 19.000 -0.082 0.000 1.006 536 A HN 0.370 nan 8.150 nan 0.000 0.520 537 N N 1.986 120.691 118.700 0.009 0.000 2.007 537 N HA -0.177 4.563 4.740 0.001 0.000 0.197 537 N C 1.316 176.856 175.510 0.050 0.000 1.050 537 N CA 1.877 54.931 53.050 0.006 0.000 0.856 537 N CB -0.397 38.063 38.487 -0.046 0.000 1.050 537 N HN 0.492 nan 8.380 nan 0.000 0.423 538 N N 0.664 119.380 118.700 0.026 0.000 2.166 538 N HA -0.123 4.618 4.740 0.001 0.000 0.186 538 N C 1.794 177.373 175.510 0.115 0.000 1.019 538 N CA 0.466 53.546 53.050 0.050 0.000 0.856 538 N CB -0.421 38.069 38.487 0.004 0.000 0.993 538 N HN 0.194 nan 8.380 nan 0.000 0.426 539 L N 1.569 122.845 121.223 0.089 0.000 2.083 539 L HA -0.072 4.268 4.340 0.001 0.000 0.209 539 L C 1.982 178.986 176.870 0.223 0.000 1.083 539 L CA 1.688 56.589 54.840 0.102 0.000 0.752 539 L CB -1.144 40.919 42.059 0.005 0.000 0.899 539 L HN 0.026 nan 8.230 nan 0.000 0.433 540 T N -1.140 113.578 114.554 0.273 0.000 2.643 540 T HA -0.237 4.113 4.350 0.001 0.000 0.264 540 T C 1.831 176.746 174.700 0.358 0.000 1.045 540 T CA 1.559 63.899 62.100 0.401 0.000 1.155 540 T CB -0.583 68.452 68.868 0.279 0.000 0.863 540 T HN 0.522 nan 8.240 nan 0.000 0.420 541 H N 1.485 120.647 119.070 0.154 0.000 2.357 541 H HA -0.107 4.449 4.556 0.001 0.000 0.296 541 H C 2.441 177.791 175.328 0.036 0.000 1.108 541 H CA 2.063 58.194 56.048 0.139 0.000 1.273 541 H CB -0.136 29.667 29.762 0.068 0.000 1.367 541 H HN 0.306 nan 8.280 nan 0.000 0.498 542 K N -0.513 119.998 120.400 0.185 0.000 2.026 542 K HA -0.108 4.213 4.320 0.001 0.000 0.208 542 K C 2.186 178.805 176.600 0.032 0.000 1.048 542 K CA 1.865 58.225 56.287 0.120 0.000 0.929 542 K CB 0.071 32.690 32.500 0.198 0.000 0.713 542 K HN 0.233 nan 8.250 nan 0.000 0.439 543 T N 0.237 114.817 114.554 0.043 0.000 2.777 543 T HA -0.085 4.265 4.350 0.001 0.000 0.266 543 T C 1.497 175.981 174.700 -0.360 0.000 1.040 543 T CA 1.370 63.398 62.100 -0.121 0.000 1.141 543 T CB -0.243 68.544 68.868 -0.135 0.000 0.868 543 T HN 0.160 nan 8.240 nan 0.000 0.444 544 F N 1.081 120.870 119.950 -0.269 0.000 2.416 544 F HA 0.170 4.698 4.527 0.001 0.000 0.296 544 F C 2.451 177.776 175.800 -0.792 0.000 1.099 544 F CA 0.306 58.098 58.000 -0.347 0.000 1.427 544 F CB -0.141 38.758 39.000 -0.169 0.000 1.079 544 F HN 0.160 nan 8.300 nan 0.000 0.536 545 E N 0.997 120.474 120.200 -1.205 0.000 2.023 545 E HA -0.263 4.088 4.350 0.001 0.000 0.196 545 E C 2.443 178.833 176.600 -0.349 0.000 1.003 545 E CA 1.276 56.919 56.400 -1.261 0.000 0.809 545 E CB -0.227 29.034 29.700 -0.731 0.000 0.755 545 E HN 0.288 nan 8.360 nan 0.000 0.449 546 A N 1.053 123.736 122.820 -0.230 0.000 1.927 546 A HA -0.222 4.099 4.320 0.001 0.000 0.220 546 A C 2.199 179.657 177.584 -0.210 0.000 1.185 546 A CA 1.815 53.698 52.037 -0.257 0.000 0.639 546 A CB -0.733 18.281 19.000 0.023 0.000 0.820 546 A HN 0.374 nan 8.150 nan 0.000 0.451 547 I N -1.359 119.088 120.570 -0.205 0.000 2.163 547 I HA -0.241 3.930 4.170 0.001 0.000 0.240 547 I C 2.737 178.863 176.117 0.016 0.000 1.081 547 I CA 1.714 62.943 61.300 -0.118 0.000 1.353 547 I CB -0.315 37.588 38.000 -0.161 0.000 1.054 547 I HN 0.371 nan 8.210 nan 0.000 0.407 548 Q N 0.373 120.219 119.800 0.077 0.000 2.124 548 Q HA -0.267 4.073 4.340 0.001 0.000 0.202 548 Q C 2.068 178.111 176.000 0.070 0.000 0.977 548 Q CA 1.857 57.790 55.803 0.217 0.000 0.850 548 Q CB -0.607 28.429 28.738 0.497 0.000 0.901 548 Q HN 0.561 nan 8.270 nan 0.000 0.429 549 Y N -0.554 119.597 120.300 -0.249 0.000 2.070 549 Y HA -0.297 4.253 4.550 0.001 0.000 0.280 549 Y C 1.588 177.111 175.900 -0.629 0.000 1.148 549 Y CA 2.130 59.783 58.100 -0.745 0.000 1.125 549 Y CB -0.532 37.207 38.460 -1.200 0.000 0.975 549 Y HN 0.186 nan 8.280 nan 0.000 0.492 550 Y N -0.101 119.994 120.300 -0.342 0.000 2.242 550 Y HA -0.206 4.344 4.550 0.001 0.000 0.291 550 Y C 2.455 178.204 175.900 -0.253 0.000 1.137 550 Y CA 1.299 59.199 58.100 -0.333 0.000 1.181 550 Y CB -0.822 37.503 38.460 -0.225 0.000 0.989 550 Y HN 0.168 nan 8.280 nan 0.000 0.527 551 L N -0.824 120.396 121.223 -0.005 0.000 1.970 551 L HA -0.291 4.049 4.340 0.001 0.000 0.212 551 L C 2.352 179.167 176.870 -0.091 0.000 1.071 551 L CA 1.418 56.276 54.840 0.031 0.000 0.751 551 L CB -0.821 41.304 42.059 0.111 0.000 0.889 551 L HN 0.248 nan 8.230 nan 0.000 0.432 552 L N -0.278 120.837 121.223 -0.179 0.000 1.990 552 L HA -0.314 4.026 4.340 0.001 0.000 0.213 552 L C 2.713 179.402 176.870 -0.302 0.000 1.072 552 L CA 1.686 56.377 54.840 -0.248 0.000 0.755 552 L CB -0.553 41.357 42.059 -0.248 0.000 0.889 552 L HN 0.289 nan 8.230 nan 0.000 0.432 553 K N 0.087 120.215 120.400 -0.453 0.000 2.020 553 K HA -0.242 4.078 4.320 0.001 0.000 0.212 553 K C 2.086 178.576 176.600 -0.185 0.000 1.050 553 K CA 1.767 57.829 56.287 -0.375 0.000 0.929 553 K CB -0.209 32.009 32.500 -0.470 0.000 0.714 553 K HN 0.290 nan 8.250 nan 0.000 0.443 554 A N 0.077 122.828 122.820 -0.114 0.000 1.933 554 A HA -0.158 4.162 4.320 0.001 0.000 0.218 554 A C 2.182 179.734 177.584 -0.053 0.000 1.175 554 A CA 2.146 54.159 52.037 -0.041 0.000 0.628 554 A CB -0.789 18.223 19.000 0.018 0.000 0.814 554 A HN 0.464 nan 8.150 nan 0.000 0.444 555 S N -0.345 115.303 115.700 -0.086 0.000 2.371 555 S HA -0.164 4.307 4.470 0.001 0.000 0.224 555 S C 2.025 176.546 174.600 -0.133 0.000 1.029 555 S CA 1.257 59.396 58.200 -0.102 0.000 0.978 555 S CB -0.633 62.493 63.200 -0.123 0.000 0.833 555 S HN 0.744 nan 8.310 nan 0.000 0.466 556 N N 0.345 118.951 118.700 -0.156 0.000 2.043 556 N HA -0.169 4.571 4.740 0.001 0.000 0.193 556 N C 1.535 176.959 175.510 -0.144 0.000 1.037 556 N CA 1.570 54.526 53.050 -0.157 0.000 0.851 556 N CB -0.188 38.208 38.487 -0.151 0.000 1.027 556 N HN 0.378 nan 8.380 nan 0.000 0.422 557 E N 0.931 121.055 120.200 -0.128 0.000 2.097 557 E HA -0.201 4.149 4.350 0.001 0.000 0.196 557 E C 2.011 178.557 176.600 -0.090 0.000 1.000 557 E CA 0.621 56.955 56.400 -0.110 0.000 0.804 557 E CB -0.502 29.160 29.700 -0.064 0.000 0.740 557 E HN 0.382 nan 8.360 nan 0.000 0.454 558 L N 0.645 121.822 121.223 -0.076 0.000 2.141 558 L HA -0.045 4.296 4.340 0.001 0.000 0.209 558 L C 2.133 178.944 176.870 -0.098 0.000 1.094 558 L CA 1.724 56.522 54.840 -0.070 0.000 0.763 558 L CB -0.605 41.421 42.059 -0.056 0.000 0.908 558 L HN 0.041 nan 8.230 nan 0.000 0.437 559 A N -0.824 121.924 122.820 -0.120 0.000 1.930 559 A HA -0.183 4.138 4.320 0.001 0.000 0.217 559 A C 2.297 179.820 177.584 -0.102 0.000 1.175 559 A CA 1.552 53.509 52.037 -0.133 0.000 0.627 559 A CB -0.395 18.488 19.000 -0.195 0.000 0.815 559 A HN 0.455 nan 8.150 nan 0.000 0.443 560 K N -0.295 120.040 120.400 -0.109 0.000 2.032 560 K HA -0.185 4.135 4.320 0.001 0.000 0.209 560 K C 2.028 178.581 176.600 -0.079 0.000 1.048 560 K CA 1.657 57.882 56.287 -0.104 0.000 0.927 560 K CB -0.217 32.162 32.500 -0.203 0.000 0.712 560 K HN 0.569 nan 8.250 nan 0.000 0.441 561 E N 0.375 120.522 120.200 -0.087 0.000 2.077 561 E HA -0.189 4.161 4.350 0.001 0.000 0.193 561 E C 1.330 177.874 176.600 -0.092 0.000 0.989 561 E CA 1.315 57.664 56.400 -0.085 0.000 0.800 561 E CB 0.256 29.902 29.700 -0.091 0.000 0.746 561 E HN 0.449 nan 8.360 nan 0.000 0.452 562 Q N -1.295 118.447 119.800 -0.096 0.000 2.028 562 Q HA 0.325 4.665 4.340 0.001 0.000 0.207 562 Q C 0.173 176.127 176.000 -0.078 0.000 0.776 562 Q CA 0.156 55.903 55.803 -0.093 0.000 1.015 562 Q CB 1.638 30.305 28.738 -0.119 0.000 1.215 562 Q HN 0.136 nan 8.270 nan 0.000 0.445 563 G N 1.344 110.098 108.800 -0.076 0.000 2.712 563 G HA2 0.094 4.055 3.960 0.001 0.000 0.686 563 G HA3 0.094 4.055 3.960 0.001 0.000 0.686 563 G C -0.126 174.715 174.900 -0.099 0.000 1.181 563 G CA -0.540 44.516 45.100 -0.072 0.000 0.762 563 G HN 0.583 nan 8.290 nan 0.000 0.641 564 A N 0.620 123.359 122.820 -0.135 0.000 2.504 564 A HA 0.495 4.815 4.320 0.001 0.000 0.242 564 A C 1.713 179.262 177.584 -0.058 0.000 1.100 564 A CA 0.944 52.873 52.037 -0.180 0.000 0.786 564 A CB -0.536 18.287 19.000 -0.296 0.000 1.050 564 A HN 2.538 nan 8.150 nan 0.000 0.512 565 C N -1.196 118.103 119.300 -0.002 0.000 2.604 565 C HA 0.505 4.966 4.460 0.001 0.000 0.396 565 C C -1.027 174.021 174.990 0.096 0.000 1.282 565 C CA -1.144 57.885 59.018 0.018 0.000 2.292 565 C CB -0.050 27.700 27.740 0.017 0.000 2.633 565 C HN 0.679 nan 8.230 nan 0.000 0.620 566 P HA -0.137 nan 4.420 nan 0.000 0.217 566 P C 0.596 178.156 177.300 0.434 0.000 1.158 566 P CA 1.971 65.181 63.100 0.183 0.000 0.887 566 P CB -0.094 31.656 31.700 0.082 0.000 0.792 567 W N -2.016 119.348 121.300 0.107 0.000 3.269 567 W HA 0.334 4.994 4.660 0.001 0.000 0.413 567 W C 1.397 178.000 176.519 0.139 0.000 1.057 567 W CA -1.459 55.951 57.345 0.108 0.000 1.953 567 W CB -1.856 27.658 29.460 0.091 0.000 1.053 567 W HN -0.071 nan 8.180 nan 0.000 0.753 568 F N 3.267 123.345 119.950 0.214 0.000 2.154 568 F HA -0.331 4.196 4.527 0.000 0.000 0.301 568 F C 2.097 177.971 175.800 0.124 0.000 1.087 568 F CA 2.266 60.343 58.000 0.128 0.000 1.274 568 F CB -0.381 38.660 39.000 0.069 0.000 1.009 568 F HN -0.048 nan 8.300 nan 0.000 0.485 569 N N 0.790 119.501 118.700 0.019 0.000 2.258 569 N HA -0.248 4.492 4.740 0.001 0.000 0.187 569 N C 1.154 176.602 175.510 -0.104 0.000 1.012 569 N CA 1.754 54.753 53.050 -0.086 0.000 0.870 569 N CB -1.028 37.480 38.487 0.034 0.000 0.977 569 N HN 0.569 nan 8.380 nan 0.000 0.434 570 E N 0.742 120.935 120.200 -0.011 0.000 2.418 570 E HA -0.050 4.300 4.350 0.001 0.000 0.197 570 E C 0.614 177.228 176.600 0.025 0.000 1.026 570 E CA 0.633 57.063 56.400 0.049 0.000 0.862 570 E CB -0.175 29.619 29.700 0.156 0.000 0.799 570 E HN 0.572 nan 8.360 nan 0.000 0.518 571 T N -0.559 113.894 114.554 -0.169 0.000 2.882 571 T HA 0.103 4.453 4.350 0.001 0.000 0.287 571 T C 1.458 176.014 174.700 -0.240 0.000 1.014 571 T CA -0.114 61.820 62.100 -0.276 0.000 1.049 571 T CB 1.551 70.196 68.868 -0.371 0.000 1.001 571 T HN 0.006 nan 8.240 nan 0.000 0.525 572 T N -0.963 113.468 114.554 -0.204 0.000 2.995 572 T HA -0.069 4.281 4.350 0.001 0.000 0.269 572 T C 1.438 176.016 174.700 -0.202 0.000 1.091 572 T CA 0.572 62.557 62.100 -0.191 0.000 1.128 572 T CB -0.825 67.919 68.868 -0.206 0.000 0.891 572 T HN 0.648 nan 8.240 nan 0.000 0.492 573 Y N 2.339 122.523 120.300 -0.193 0.000 2.128 573 Y HA 0.016 4.567 4.550 0.000 0.000 0.284 573 Y C 3.038 178.884 175.900 -0.091 0.000 1.154 573 Y CA 0.933 58.987 58.100 -0.076 0.000 1.149 573 Y CB -0.973 37.500 38.460 0.021 0.000 0.976 573 Y HN 0.320 nan 8.280 nan 0.000 0.505 574 A N -0.072 122.514 122.820 -0.390 0.000 2.024 574 A HA -0.192 4.129 4.320 0.001 0.000 0.220 574 A C 1.772 179.341 177.584 -0.024 0.000 1.164 574 A CA 1.555 53.366 52.037 -0.377 0.000 0.643 574 A CB -0.462 18.111 19.000 -0.711 0.000 0.806 574 A HN 0.385 nan 8.150 nan 0.000 0.451 575 K N -0.887 119.481 120.400 -0.054 0.000 2.684 575 K HA 0.272 4.592 4.320 0.001 0.000 0.215 575 K C 0.896 177.505 176.600 0.016 0.000 1.073 575 K CA 0.323 56.602 56.287 -0.013 0.000 1.197 575 K CB -0.287 32.189 32.500 -0.040 0.000 0.955 575 K HN 0.546 nan 8.250 nan 0.000 0.473 576 G N 1.798 110.637 108.800 0.065 0.000 2.225 576 G HA2 -0.292 3.668 3.960 0.001 0.000 0.272 576 G HA3 -0.292 3.668 3.960 0.001 0.000 0.272 576 G C 0.220 175.144 174.900 0.040 0.000 0.996 576 G CA 0.384 45.533 45.100 0.083 0.000 0.710 576 G HN 0.379 nan 8.290 nan 0.000 0.522 577 I N 0.211 120.764 120.570 -0.029 0.000 2.365 577 I HA 0.528 4.699 4.170 0.001 0.000 0.291 577 I C 0.657 176.660 176.117 -0.190 0.000 1.004 577 I CA -0.564 60.684 61.300 -0.086 0.000 1.311 577 I CB 1.153 39.088 38.000 -0.109 0.000 1.401 577 I HN -0.040 nan 8.210 nan 0.000 0.491 578 L N 7.513 128.664 121.223 -0.121 0.000 2.354 578 L HA 0.446 4.786 4.340 0.001 0.000 0.264 578 L C -1.555 175.257 176.870 -0.095 0.000 1.008 578 L CA -1.582 53.189 54.840 -0.114 0.000 0.819 578 L CB 2.241 44.390 42.059 0.150 0.000 1.339 578 L HN 0.327 nan 8.230 nan 0.000 0.420 579 P HA -0.205 nan 4.420 nan 0.000 0.217 579 P C 1.399 178.686 177.300 -0.021 0.000 1.151 579 P CA 1.641 64.766 63.100 0.041 0.000 0.849 579 P CB -0.071 31.653 31.700 0.039 0.000 0.787 580 I N -2.074 118.355 120.570 -0.235 0.000 3.164 580 I HA -0.081 4.089 4.170 0.001 0.000 0.278 580 I C 0.884 176.990 176.117 -0.018 0.000 1.320 580 I CA 1.460 62.586 61.300 -0.290 0.000 1.422 580 I CB -0.824 36.810 38.000 -0.611 0.000 1.066 580 I HN -0.060 nan 8.210 nan 0.000 0.503 581 D N 0.344 120.718 120.400 -0.044 0.000 2.469 581 D HA 0.001 4.641 4.640 0.001 0.000 0.213 581 D C 1.226 177.414 176.300 -0.187 0.000 1.135 581 D CA 0.817 54.756 54.000 -0.102 0.000 0.834 581 D CB 0.187 40.943 40.800 -0.073 0.000 1.009 581 D HN 0.506 nan 8.370 nan 0.000 0.507 582 T N -1.810 112.659 114.554 -0.140 0.000 3.084 582 T HA 0.121 4.472 4.350 0.001 0.000 0.270 582 T C 0.627 175.067 174.700 -0.434 0.000 1.008 582 T CA -0.725 61.275 62.100 -0.167 0.000 0.900 582 T CB -0.782 68.113 68.868 0.044 0.000 1.084 582 T HN 0.211 nan 8.240 nan 0.000 0.538 583 Y N 1.313 121.227 120.300 -0.644 0.000 2.296 583 Y HA 0.663 5.214 4.550 0.001 0.000 0.343 583 Y C 0.336 175.878 175.900 -0.596 0.000 1.292 583 Y CA -1.859 55.628 58.100 -1.021 0.000 1.490 583 Y CB 0.483 38.510 38.460 -0.722 0.000 1.359 583 Y HN -0.106 nan 8.280 nan 0.000 0.599 584 K N 1.714 121.897 120.400 -0.362 0.000 2.297 584 K HA 0.184 4.505 4.320 0.001 0.000 0.286 584 K C 0.390 176.914 176.600 -0.127 0.000 1.053 584 K CA -0.129 55.974 56.287 -0.307 0.000 0.940 584 K CB 1.128 33.409 32.500 -0.365 0.000 1.019 584 K HN 0.813 nan 8.250 nan 0.000 0.475 585 K N 2.385 122.663 120.400 -0.203 0.000 2.288 585 K HA -0.094 4.227 4.320 0.001 0.000 0.201 585 K C 0.194 176.812 176.600 0.030 0.000 1.048 585 K CA 1.458 57.650 56.287 -0.158 0.000 0.956 585 K CB 0.212 32.596 32.500 -0.194 0.000 0.746 585 K HN 0.688 nan 8.250 nan 0.000 0.461 586 D N 0.834 121.269 120.400 0.058 0.000 2.263 586 D HA -0.145 4.496 4.640 0.001 0.000 0.208 586 D C 1.366 177.777 176.300 0.186 0.000 0.971 586 D CA 0.679 54.767 54.000 0.147 0.000 0.867 586 D CB 0.008 40.922 40.800 0.189 0.000 0.929 586 D HN 0.147 nan 8.370 nan 0.000 0.492 587 L N 0.510 121.820 121.223 0.145 0.000 2.349 587 L HA -0.172 4.168 4.340 0.001 0.000 0.220 587 L C 1.429 178.276 176.870 -0.039 0.000 1.130 587 L CA 0.832 55.671 54.840 -0.001 0.000 0.791 587 L CB -0.189 41.846 42.059 -0.041 0.000 0.918 587 L HN 0.005 nan 8.230 nan 0.000 0.444 588 D N -0.766 119.663 120.400 0.048 0.000 2.144 588 D HA -0.151 4.490 4.640 0.001 0.000 0.200 588 D C 2.289 178.573 176.300 -0.027 0.000 0.978 588 D CA 1.825 55.830 54.000 0.009 0.000 0.833 588 D CB -0.164 40.668 40.800 0.053 0.000 0.961 588 D HN 0.360 nan 8.370 nan 0.000 0.470 589 T N -0.653 113.904 114.554 0.005 0.000 2.915 589 T HA -0.127 4.223 4.350 0.001 0.000 0.269 589 T C 1.946 176.624 174.700 -0.036 0.000 1.071 589 T CA 0.947 63.051 62.100 0.007 0.000 1.132 589 T CB -0.495 68.411 68.868 0.063 0.000 0.878 589 T HN 0.403 nan 8.240 nan 0.000 0.479 590 I N -1.494 119.014 120.570 -0.103 0.000 4.018 590 I HA 0.753 4.923 4.170 0.001 0.000 0.337 590 I C 0.491 176.509 176.117 -0.165 0.000 1.327 590 I CA -0.987 60.212 61.300 -0.167 0.000 1.100 590 I CB 0.104 37.889 38.000 -0.359 0.000 1.025 590 I HN 0.309 nan 8.210 nan 0.000 0.396 591 A N 2.449 125.174 122.820 -0.159 0.000 2.604 591 A HA 0.673 4.994 4.320 0.001 0.000 0.295 591 A C -0.852 176.597 177.584 -0.224 0.000 1.067 591 A CA -0.489 51.434 52.037 -0.189 0.000 0.683 591 A CB 1.023 19.893 19.000 -0.217 0.000 1.281 591 A HN 0.346 nan 8.150 nan 0.000 0.407 592 N N 0.406 118.961 118.700 -0.241 0.000 2.471 592 N HA 0.128 4.869 4.740 0.001 0.000 0.270 592 N C -0.655 174.713 175.510 -0.235 0.000 1.490 592 N CA -0.214 52.703 53.050 -0.222 0.000 0.850 592 N CB 0.215 38.629 38.487 -0.122 0.000 1.411 592 N HN 0.619 nan 8.380 nan 0.000 0.488 593 E N 2.619 122.604 120.200 -0.358 0.000 2.376 593 E HA 0.261 4.612 4.350 0.001 0.000 0.266 593 E C -2.096 174.346 176.600 -0.264 0.000 1.009 593 E CA -1.318 54.934 56.400 -0.247 0.000 0.902 593 E CB 0.824 30.429 29.700 -0.158 0.000 0.972 593 E HN 0.269 nan 8.360 nan 0.000 0.439 594 P HA 0.084 nan 4.420 nan 0.000 0.276 594 P C -0.508 176.651 177.300 -0.235 0.000 1.244 594 P CA -0.276 62.754 63.100 -0.117 0.000 0.801 594 P CB 0.627 32.323 31.700 -0.005 0.000 1.006 595 L N 2.837 124.023 121.223 -0.063 0.000 2.453 595 L HA 0.033 4.373 4.340 0.001 0.000 0.272 595 L C 1.677 178.529 176.870 -0.031 0.000 1.182 595 L CA -0.077 54.761 54.840 -0.002 0.000 0.858 595 L CB -0.096 42.045 42.059 0.135 0.000 1.120 595 L HN 0.478 nan 8.230 nan 0.000 0.474 596 H N 2.262 121.354 119.070 0.037 0.000 2.551 596 H HA 0.198 4.754 4.556 0.001 0.000 0.271 596 H C -0.659 174.336 175.328 -0.554 0.000 0.984 596 H CA 0.099 55.982 56.048 -0.275 0.000 1.164 596 H CB 0.065 29.583 29.762 -0.407 0.000 1.437 596 H HN 0.392 nan 8.280 nan 0.000 0.550 597 Y N -0.197 120.093 120.300 -0.017 0.000 2.562 597 Y HA 0.210 4.760 4.550 0.001 0.000 0.343 597 Y C 0.437 176.268 175.900 -0.116 0.000 1.025 597 Y CA -1.300 56.586 58.100 -0.357 0.000 1.082 597 Y CB 1.256 38.961 38.460 -1.257 0.000 1.264 597 Y HN -0.161 nan 8.280 nan 0.000 0.478 598 D N 1.482 121.875 120.400 -0.011 0.000 2.441 598 D HA -0.007 4.634 4.640 0.001 0.000 0.243 598 D C -0.125 176.284 176.300 0.181 0.000 1.257 598 D CA 0.226 54.298 54.000 0.120 0.000 1.027 598 D CB 0.047 40.911 40.800 0.106 0.000 1.084 598 D HN 0.557 nan 8.370 nan 0.000 0.514 599 W N 1.594 123.008 121.300 0.191 0.000 2.678 599 W HA -0.024 4.636 4.660 0.000 0.000 0.256 599 W C 1.949 178.570 176.519 0.170 0.000 1.280 599 W CA -0.130 57.351 57.345 0.226 0.000 1.345 599 W CB 0.382 29.963 29.460 0.202 0.000 1.118 599 W HN 0.310 nan 8.180 nan 0.000 0.629 600 E N 0.137 120.520 120.200 0.305 0.000 2.051 600 E HA -0.082 4.269 4.350 0.001 0.000 0.189 600 E C 2.315 179.011 176.600 0.161 0.000 0.979 600 E CA 1.300 57.824 56.400 0.207 0.000 0.803 600 E CB -1.319 28.475 29.700 0.157 0.000 0.761 600 E HN 0.143 nan 8.360 nan 0.000 0.451 601 A N 1.827 124.732 122.820 0.143 0.000 1.896 601 A HA -0.240 4.080 4.320 0.001 0.000 0.220 601 A C 2.297 179.944 177.584 0.104 0.000 1.206 601 A CA 2.014 54.119 52.037 0.113 0.000 0.647 601 A CB -0.867 18.198 19.000 0.108 0.000 0.828 601 A HN 0.248 nan 8.150 nan 0.000 0.455 602 L N -0.489 120.796 121.223 0.103 0.000 2.056 602 L HA -0.090 4.250 4.340 0.001 0.000 0.207 602 L C 2.498 179.442 176.870 0.124 0.000 1.078 602 L CA 2.348 57.218 54.840 0.050 0.000 0.749 602 L CB -0.631 41.385 42.059 -0.073 0.000 0.901 602 L HN 0.509 nan 8.230 nan 0.000 0.433 603 R N -0.694 119.917 120.500 0.186 0.000 2.113 603 R HA -0.213 4.128 4.340 0.001 0.000 0.244 603 R C 2.022 178.413 176.300 0.153 0.000 1.142 603 R CA 1.871 58.088 56.100 0.195 0.000 0.953 603 R CB -0.103 30.309 30.300 0.187 0.000 0.860 603 R HN 0.368 nan 8.270 nan 0.000 0.438 604 E N -0.151 120.124 120.200 0.125 0.000 2.072 604 E HA -0.095 4.255 4.350 0.001 0.000 0.190 604 E C 1.963 178.622 176.600 0.100 0.000 0.982 604 E CA 1.082 57.541 56.400 0.098 0.000 0.803 604 E CB -0.483 29.267 29.700 0.084 0.000 0.755 604 E HN 0.206 nan 8.360 nan 0.000 0.453 605 S N 0.031 115.804 115.700 0.121 0.000 2.423 605 S HA -0.029 4.442 4.470 0.001 0.000 0.231 605 S C 1.952 176.655 174.600 0.171 0.000 1.014 605 S CA 0.459 58.768 58.200 0.182 0.000 0.965 605 S CB -0.080 63.187 63.200 0.112 0.000 0.785 605 S HN 0.140 nan 8.310 nan 0.000 0.495 606 I N 0.682 121.329 120.570 0.127 0.000 2.235 606 I HA -0.077 4.093 4.170 0.001 0.000 0.241 606 I C 2.523 178.742 176.117 0.169 0.000 1.085 606 I CA 0.964 62.347 61.300 0.138 0.000 1.378 606 I CB -0.250 37.896 38.000 0.244 0.000 1.076 606 I HN 0.207 nan 8.210 nan 0.000 0.415 607 K N 0.293 120.802 120.400 0.182 0.000 2.074 607 K HA -0.203 4.117 4.320 0.001 0.000 0.209 607 K C 1.989 178.633 176.600 0.073 0.000 1.048 607 K CA 2.063 58.452 56.287 0.170 0.000 0.926 607 K CB -0.043 32.528 32.500 0.118 0.000 0.713 607 K HN 0.293 nan 8.250 nan 0.000 0.444 608 T N -0.582 113.945 114.554 -0.044 0.000 2.698 608 T HA -0.080 4.270 4.350 0.001 0.000 0.260 608 T C 1.276 175.771 174.700 -0.342 0.000 1.044 608 T CA 1.536 63.483 62.100 -0.254 0.000 1.149 608 T CB -0.265 68.310 68.868 -0.489 0.000 0.864 608 T HN 0.438 nan 8.240 nan 0.000 0.419 609 H N 0.045 119.070 119.070 -0.075 0.000 2.575 609 H HA 0.479 5.035 4.556 0.001 0.000 0.267 609 H C 1.393 176.547 175.328 -0.289 0.000 0.966 609 H CA 0.159 56.126 56.048 -0.136 0.000 1.165 609 H CB -0.011 29.682 29.762 -0.115 0.000 1.433 609 H HN 0.562 nan 8.280 nan 0.000 0.544 610 G N 0.515 109.109 108.800 -0.342 0.000 2.698 610 G HA2 -0.265 3.695 3.960 0.001 0.000 0.233 610 G HA3 -0.265 3.695 3.960 0.001 0.000 0.233 610 G C -0.770 173.629 174.900 -0.835 0.000 1.352 610 G CA -0.408 44.014 45.100 -1.130 0.000 0.879 610 G HN 0.206 nan 8.290 nan 0.000 0.567 611 L N -0.374 120.177 121.223 -1.119 0.000 2.354 611 L HA 0.590 4.931 4.340 0.001 0.000 0.269 611 L C 1.499 178.188 176.870 -0.302 0.000 1.005 611 L CA -0.936 53.646 54.840 -0.430 0.000 0.819 611 L CB 1.923 43.858 42.059 -0.207 0.000 1.311 611 L HN 0.715 nan 8.230 nan 0.000 0.423 612 R N 1.769 122.154 120.500 -0.191 0.000 2.092 612 R HA -0.030 4.310 4.340 0.001 0.000 0.231 612 R C -0.271 175.984 176.300 -0.075 0.000 1.119 612 R CA 1.349 57.375 56.100 -0.124 0.000 0.970 612 R CB -0.160 30.077 30.300 -0.104 0.000 0.864 612 R HN 0.673 nan 8.270 nan 0.000 0.440 613 N N -1.173 117.482 118.700 -0.074 0.000 2.314 613 N HA 0.217 4.957 4.740 0.001 0.000 0.294 613 N C -0.344 175.144 175.510 -0.037 0.000 1.029 613 N CA -0.306 52.719 53.050 -0.042 0.000 0.845 613 N CB 2.166 40.623 38.487 -0.050 0.000 1.321 613 N HN -0.179 nan 8.380 nan 0.000 0.481 614 S N -0.073 115.642 115.700 0.025 0.000 2.382 614 S HA -0.066 4.404 4.470 0.001 0.000 0.228 614 S C 0.800 175.320 174.600 -0.133 0.000 1.027 614 S CA 1.225 59.416 58.200 -0.015 0.000 0.991 614 S CB -0.129 63.143 63.200 0.120 0.000 0.823 614 S HN 0.838 nan 8.310 nan 0.000 0.469 615 T N -2.120 112.419 114.554 -0.025 0.000 2.906 615 T HA 0.732 5.082 4.350 0.001 0.000 0.295 615 T C 0.216 174.912 174.700 -0.005 0.000 1.075 615 T CA -0.786 61.317 62.100 0.004 0.000 1.005 615 T CB 1.787 70.727 68.868 0.119 0.000 1.136 615 T HN -0.015 nan 8.240 nan 0.000 0.498 616 L N 0.582 121.812 121.223 0.012 0.000 2.885 616 L HA 0.347 4.688 4.340 0.001 0.000 0.251 616 L C 0.711 177.601 176.870 0.034 0.000 1.071 616 L CA -0.037 54.809 54.840 0.010 0.000 0.956 616 L CB 0.703 42.759 42.059 -0.004 0.000 1.483 616 L HN 0.912 nan 8.230 nan 0.000 0.525 617 S N -0.129 115.609 115.700 0.062 0.000 2.536 617 S HA 0.906 5.377 4.470 0.001 0.000 0.298 617 S C -0.551 174.082 174.600 0.055 0.000 1.083 617 S CA -0.290 57.953 58.200 0.071 0.000 0.995 617 S CB 2.648 65.928 63.200 0.133 0.000 1.058 617 S HN 0.138 nan 8.310 nan 0.000 0.488 618 A N 2.192 125.034 122.820 0.037 0.000 2.566 618 A HA 0.611 4.931 4.320 0.001 0.000 0.297 618 A C -1.269 176.329 177.584 0.024 0.000 1.059 618 A CA -0.821 51.231 52.037 0.025 0.000 0.691 618 A CB 0.980 19.985 19.000 0.009 0.000 1.282 618 A HN 0.873 nan 8.150 nan 0.000 0.401 619 L N 4.355 125.590 121.223 0.021 0.000 2.288 619 L HA 0.357 4.698 4.340 0.001 0.000 0.283 619 L C 0.391 177.268 176.870 0.011 0.000 1.072 619 L CA -0.488 54.367 54.840 0.026 0.000 0.862 619 L CB 0.686 42.751 42.059 0.009 0.000 1.245 619 L HN 0.842 nan 8.230 nan 0.000 0.432 620 M N 3.914 123.522 119.600 0.014 0.000 2.371 620 M HA 0.648 5.128 4.480 0.001 0.000 0.301 620 M C -2.706 173.611 176.300 0.028 0.000 1.173 620 M CA -2.084 53.219 55.300 0.006 0.000 1.020 620 M CB 0.206 32.808 32.600 0.003 0.000 1.490 620 M HN 0.058 nan 8.290 nan 0.000 0.485 621 P HA 0.334 nan 4.420 nan 0.000 0.282 621 P C -1.106 176.232 177.300 0.064 0.000 1.249 621 P CA -0.266 62.865 63.100 0.052 0.000 0.806 621 P CB 0.887 32.607 31.700 0.034 0.000 0.984 622 S N 0.265 116.018 115.700 0.087 0.000 2.607 622 S HA 0.639 5.110 4.470 0.001 0.000 0.303 622 S C 0.283 174.938 174.600 0.092 0.000 1.086 622 S CA -0.298 57.956 58.200 0.090 0.000 0.995 622 S CB 2.716 65.975 63.200 0.098 0.000 1.084 622 S HN 0.526 nan 8.310 nan 0.000 0.507 623 E N 0.758 121.011 120.200 0.087 0.000 3.935 623 E HA 0.122 4.472 4.350 0.001 0.000 0.244 623 E C 1.431 178.068 176.600 0.060 0.000 1.295 623 E CA 0.777 57.222 56.400 0.076 0.000 1.728 623 E CB -0.636 29.112 29.700 0.080 0.000 1.750 623 E HN 0.584 nan 8.360 nan 0.000 0.721 624 T N 0.560 115.159 114.554 0.075 0.000 2.708 624 T HA -0.104 4.246 4.350 0.001 0.000 0.266 624 T C 1.870 176.605 174.700 0.057 0.000 1.037 624 T CA 1.778 63.915 62.100 0.062 0.000 1.146 624 T CB -0.502 68.450 68.868 0.141 0.000 0.865 624 T HN 0.168 nan 8.240 nan 0.000 0.435 625 S N 2.554 118.329 115.700 0.125 0.000 2.351 625 S HA -0.153 4.317 4.470 0.001 0.000 0.220 625 S C 2.562 177.218 174.600 0.094 0.000 1.035 625 S CA 1.593 59.884 58.200 0.152 0.000 1.031 625 S CB -0.733 62.562 63.200 0.157 0.000 0.928 625 S HN 0.740 nan 8.310 nan 0.000 0.433 626 S N 1.556 117.304 115.700 0.080 0.000 2.423 626 S HA -0.105 4.365 4.470 0.001 0.000 0.231 626 S C 1.872 176.481 174.600 0.015 0.000 1.014 626 S CA 0.841 59.080 58.200 0.064 0.000 0.965 626 S CB -0.438 62.817 63.200 0.092 0.000 0.785 626 S HN 0.487 nan 8.310 nan 0.000 0.495 627 Q N 0.346 120.144 119.800 -0.003 0.000 2.119 627 Q HA -0.013 4.328 4.340 0.001 0.000 0.201 627 Q C 1.954 177.898 176.000 -0.093 0.000 0.972 627 Q CA 1.150 56.925 55.803 -0.046 0.000 0.847 627 Q CB -0.157 28.550 28.738 -0.052 0.000 0.903 627 Q HN 0.494 nan 8.270 nan 0.000 0.433 628 I N 0.565 121.073 120.570 -0.104 0.000 2.208 628 I HA -0.217 3.953 4.170 0.001 0.000 0.245 628 I C 1.694 177.720 176.117 -0.151 0.000 1.097 628 I CA 1.428 62.661 61.300 -0.111 0.000 1.363 628 I CB -0.957 36.999 38.000 -0.074 0.000 1.051 628 I HN 0.146 nan 8.210 nan 0.000 0.413 629 S N 0.267 115.841 115.700 -0.210 0.000 2.622 629 S HA 0.091 4.561 4.470 0.001 0.000 0.236 629 S C 0.660 175.078 174.600 -0.303 0.000 0.956 629 S CA -0.375 57.525 58.200 -0.500 0.000 0.971 629 S CB -0.876 62.169 63.200 -0.258 0.000 0.782 629 S HN 0.540 nan 8.310 nan 0.000 0.468 630 N N 1.193 119.784 118.700 -0.181 0.000 2.686 630 N HA -0.243 4.498 4.740 0.001 0.000 0.261 630 N C -0.325 175.149 175.510 -0.060 0.000 1.001 630 N CA 0.318 53.311 53.050 -0.096 0.000 0.764 630 N CB -1.030 37.416 38.487 -0.069 0.000 0.898 630 N HN 0.715 nan 8.380 nan 0.000 0.544 631 A N 0.696 123.509 122.820 -0.013 0.000 2.454 631 A HA 0.637 4.958 4.320 0.001 0.000 0.302 631 A C 0.380 178.032 177.584 0.113 0.000 1.079 631 A CA -0.067 52.000 52.037 0.050 0.000 0.731 631 A CB 1.250 20.298 19.000 0.080 0.000 1.299 631 A HN 0.449 nan 8.150 nan 0.000 0.413 632 T N -0.179 114.493 114.554 0.198 0.000 2.856 632 T HA 0.254 4.605 4.350 0.001 0.000 0.306 632 T C 0.088 174.915 174.700 0.212 0.000 1.062 632 T CA -0.250 61.986 62.100 0.227 0.000 1.083 632 T CB -0.128 68.942 68.868 0.337 0.000 0.984 632 T HN 0.478 nan 8.240 nan 0.000 0.542 633 N N 1.715 120.527 118.700 0.187 0.000 2.416 633 N HA 0.421 5.161 4.740 0.001 0.000 0.265 633 N C 1.430 177.067 175.510 0.211 0.000 1.195 633 N CA 1.275 54.427 53.050 0.169 0.000 0.943 633 N CB 0.040 38.610 38.487 0.137 0.000 1.115 633 N HN 1.060 nan 8.380 nan 0.000 0.481 634 G N 3.070 111.988 108.800 0.197 0.000 2.702 634 G HA2 -0.357 3.604 3.960 0.001 0.000 0.342 634 G HA3 -0.357 3.604 3.960 0.001 0.000 0.342 634 G C 0.858 175.938 174.900 0.300 0.000 1.258 634 G CA 1.062 46.285 45.100 0.205 0.000 0.990 634 G HN 0.748 nan 8.290 nan 0.000 0.548 635 I N -1.421 119.326 120.570 0.295 0.000 3.928 635 I HA 0.459 4.629 4.170 0.001 0.000 0.335 635 I C 0.027 176.514 176.117 0.616 0.000 1.325 635 I CA -0.117 61.444 61.300 0.435 0.000 1.107 635 I CB 0.316 38.398 38.000 0.137 0.000 1.014 635 I HN 0.038 nan 8.210 nan 0.000 0.400 636 E N 4.360 124.816 120.200 0.426 0.000 2.313 636 E HA 0.337 4.688 4.350 0.001 0.000 0.276 636 E C -2.335 174.396 176.600 0.218 0.000 1.031 636 E CA -2.363 54.220 56.400 0.305 0.000 0.857 636 E CB 0.605 30.404 29.700 0.164 0.000 1.040 636 E HN 0.121 nan 8.360 nan 0.000 0.408 637 P HA 0.144 nan 4.420 nan 0.000 0.271 637 P C -2.440 174.790 177.300 -0.117 0.000 1.220 637 P CA -1.323 61.630 63.100 -0.246 0.000 0.768 637 P CB -0.031 31.216 31.700 -0.755 0.000 0.848 638 P HA 0.162 nan 4.420 nan 0.000 0.269 638 P C 0.976 178.194 177.300 -0.138 0.000 1.209 638 P CA -0.026 63.051 63.100 -0.037 0.000 0.776 638 P CB 1.069 32.763 31.700 -0.011 0.000 0.876 639 R N 1.081 121.505 120.500 -0.128 0.000 2.075 639 R HA 0.072 4.413 4.340 0.001 0.000 0.232 639 R C 1.373 177.605 176.300 -0.114 0.000 1.126 639 R CA 1.742 57.762 56.100 -0.133 0.000 0.963 639 R CB -0.309 29.974 30.300 -0.028 0.000 0.858 639 R HN 0.689 nan 8.270 nan 0.000 0.435 640 G N -3.000 105.721 108.800 -0.131 0.000 2.727 640 G HA2 0.262 4.222 3.960 0.001 0.000 0.289 640 G HA3 0.262 4.222 3.960 0.001 0.000 0.289 640 G C -0.719 174.044 174.900 -0.229 0.000 1.418 640 G CA -0.688 44.279 45.100 -0.222 0.000 0.818 640 G HN -0.003 nan 8.290 nan 0.000 0.486 641 Y N -0.776 119.490 120.300 -0.057 0.000 2.314 641 Y HA 0.191 4.742 4.550 0.001 0.000 0.293 641 Y C 1.457 177.264 175.900 -0.155 0.000 1.129 641 Y CA 0.298 58.325 58.100 -0.122 0.000 1.201 641 Y CB -0.109 38.279 38.460 -0.119 0.000 0.999 641 Y HN 0.095 nan 8.280 nan 0.000 0.541 642 V N -0.213 119.707 119.914 0.011 0.000 2.495 642 V HA 0.364 4.485 4.120 0.001 0.000 0.298 642 V C -0.051 176.033 176.094 -0.016 0.000 1.031 642 V CA -1.131 61.154 62.300 -0.026 0.000 0.871 642 V CB 1.763 33.557 31.823 -0.049 0.000 0.988 642 V HN -0.059 nan 8.190 nan 0.000 0.432 643 S N 4.202 119.895 115.700 -0.012 0.000 2.617 643 S HA 0.766 5.236 4.470 0.001 0.000 0.283 643 S C -0.522 174.078 174.600 -0.001 0.000 1.189 643 S CA -0.334 57.864 58.200 -0.004 0.000 1.036 643 S CB 1.245 64.444 63.200 -0.002 0.000 1.014 643 S HN 0.495 nan 8.310 nan 0.000 0.522 644 I N 2.649 123.222 120.570 0.004 0.000 2.466 644 I HA 0.409 4.579 4.170 0.001 0.000 0.289 644 I C -0.643 175.478 176.117 0.007 0.000 1.026 644 I CA -0.454 60.850 61.300 0.006 0.000 1.078 644 I CB 1.759 39.763 38.000 0.007 0.000 1.249 644 I HN 0.289 nan 8.210 nan 0.000 0.429 645 K N 4.596 124.999 120.400 0.005 0.000 2.274 645 K HA 0.762 5.082 4.320 0.001 0.000 0.262 645 K C -0.499 176.105 176.600 0.007 0.000 0.961 645 K CA -0.439 55.850 56.287 0.003 0.000 0.833 645 K CB 1.887 34.382 32.500 -0.009 0.000 1.102 645 K HN 0.618 nan 8.250 nan 0.000 0.436 646 A N 2.168 124.993 122.820 0.009 0.000 2.454 646 A HA 0.440 4.761 4.320 0.001 0.000 0.260 646 A C -0.153 177.437 177.584 0.009 0.000 1.106 646 A CA 0.091 52.134 52.037 0.011 0.000 0.780 646 A CB -0.132 18.875 19.000 0.011 0.000 1.044 646 A HN 0.668 nan 8.150 nan 0.000 0.498 647 S N 2.548 118.255 115.700 0.013 0.000 2.541 647 S HA 0.475 4.945 4.470 0.001 0.000 0.271 647 S C 0.974 175.585 174.600 0.017 0.000 1.133 647 S CA -0.274 57.932 58.200 0.010 0.000 0.876 647 S CB 1.436 64.635 63.200 -0.002 0.000 1.105 647 S HN 0.886 nan 8.310 nan 0.000 0.470 648 K N 1.829 122.238 120.400 0.015 0.000 2.206 648 K HA -0.233 4.088 4.320 0.001 0.000 0.211 648 K C 0.105 176.722 176.600 0.028 0.000 1.047 648 K CA 2.311 58.609 56.287 0.019 0.000 0.933 648 K CB -1.286 31.224 32.500 0.016 0.000 0.721 648 K HN 0.769 nan 8.250 nan 0.000 0.471 649 D N 1.163 121.585 120.400 0.035 0.000 2.388 649 D HA 0.248 4.888 4.640 0.001 0.000 0.221 649 D C 0.777 177.118 176.300 0.067 0.000 1.133 649 D CA 0.799 54.832 54.000 0.055 0.000 0.831 649 D CB 0.435 41.278 40.800 0.071 0.000 0.962 649 D HN 0.534 nan 8.370 nan 0.000 0.502 650 G N 1.026 109.856 108.800 0.050 0.000 2.541 650 G HA2 -0.163 3.798 3.960 0.001 0.000 0.686 650 G HA3 -0.163 3.798 3.960 0.001 0.000 0.686 650 G C -0.608 174.324 174.900 0.053 0.000 1.286 650 G CA -1.073 44.055 45.100 0.048 0.000 0.894 650 G HN 0.149 nan 8.290 nan 0.000 0.575 651 I N 0.798 121.393 120.570 0.042 0.000 2.517 651 I HA 0.219 4.389 4.170 0.001 0.000 0.285 651 I C 0.786 176.946 176.117 0.071 0.000 1.106 651 I CA -0.090 61.233 61.300 0.038 0.000 1.402 651 I CB 0.429 38.439 38.000 0.018 0.000 1.399 651 I HN 0.295 nan 8.210 nan 0.000 0.535 652 L N 7.824 129.084 121.223 0.063 0.000 2.261 652 L HA 0.422 4.762 4.340 0.001 0.000 0.289 652 L C 0.303 177.204 176.870 0.052 0.000 1.059 652 L CA -0.314 54.575 54.840 0.081 0.000 0.816 652 L CB 0.125 42.182 42.059 -0.004 0.000 1.191 652 L HN 0.559 nan 8.230 nan 0.000 0.431 653 R N 3.039 123.584 120.500 0.075 0.000 2.346 653 R HA 0.411 4.751 4.340 0.001 0.000 0.311 653 R C -0.646 175.669 176.300 0.025 0.000 0.983 653 R CA -0.492 55.627 56.100 0.031 0.000 0.880 653 R CB 1.975 32.281 30.300 0.010 0.000 1.100 653 R HN 0.542 nan 8.270 nan 0.000 0.453 654 Q N 2.634 122.432 119.800 -0.004 0.000 2.321 654 Q HA 0.335 4.675 4.340 0.001 0.000 0.270 654 Q C -1.345 174.641 176.000 -0.024 0.000 1.032 654 Q CA -0.711 55.080 55.803 -0.021 0.000 0.784 654 Q CB 2.114 30.834 28.738 -0.030 0.000 1.264 654 Q HN 0.356 nan 8.270 nan 0.000 0.448 655 V N 4.058 123.954 119.914 -0.029 0.000 2.509 655 V HA 0.254 4.374 4.120 0.001 0.000 0.284 655 V C 0.361 176.467 176.094 0.021 0.000 1.047 655 V CA -0.771 61.512 62.300 -0.028 0.000 0.952 655 V CB 1.171 32.964 31.823 -0.051 0.000 0.988 655 V HN 0.694 nan 8.190 nan 0.000 0.469 656 V N 3.928 123.865 119.914 0.038 0.000 2.788 656 V HA 0.198 4.318 4.120 0.001 0.000 0.307 656 V C -1.862 174.328 176.094 0.159 0.000 1.069 656 V CA -1.409 60.933 62.300 0.069 0.000 1.173 656 V CB -0.378 31.402 31.823 -0.072 0.000 0.925 656 V HN 0.790 nan 8.190 nan 0.000 0.492 657 P HA -0.016 nan 4.420 nan 0.000 0.263 657 P C 0.150 177.577 177.300 0.212 0.000 1.175 657 P CA 0.700 63.810 63.100 0.017 0.000 0.761 657 P CB 0.164 31.624 31.700 -0.401 0.000 0.794 658 D N 1.456 121.981 120.400 0.209 0.000 2.697 658 D HA -0.269 4.371 4.640 0.001 0.000 0.235 658 D C 0.412 176.944 176.300 0.386 0.000 1.167 658 D CA 0.565 54.753 54.000 0.313 0.000 0.656 658 D CB -1.485 39.557 40.800 0.404 0.000 1.025 658 D HN 0.492 nan 8.370 nan 0.000 0.419 659 Y N 0.644 121.078 120.300 0.222 0.000 2.181 659 Y HA -0.227 4.323 4.550 0.001 0.000 0.288 659 Y C 2.137 178.146 175.900 0.181 0.000 1.146 659 Y CA 2.567 60.777 58.100 0.183 0.000 1.164 659 Y CB -0.150 38.333 38.460 0.038 0.000 0.982 659 Y HN 0.433 nan 8.280 nan 0.000 0.515 660 E N -1.271 118.956 120.200 0.044 0.000 2.085 660 E HA -0.283 4.067 4.350 0.001 0.000 0.194 660 E C 1.535 178.063 176.600 -0.119 0.000 0.994 660 E CA 2.000 58.330 56.400 -0.117 0.000 0.801 660 E CB -0.692 28.893 29.700 -0.192 0.000 0.743 660 E HN 0.543 nan 8.360 nan 0.000 0.453 661 H N -0.698 118.395 119.070 0.038 0.000 2.563 661 H HA 0.273 4.829 4.556 0.001 0.000 0.264 661 H C 1.166 176.424 175.328 -0.117 0.000 0.957 661 H CA 0.624 56.655 56.048 -0.029 0.000 1.173 661 H CB 0.709 30.475 29.762 0.007 0.000 1.420 661 H HN 0.231 nan 8.280 nan 0.000 0.551 662 L N 0.422 121.657 121.223 0.020 0.000 3.217 662 L HA 0.042 4.383 4.340 0.001 0.000 0.288 662 L C 2.126 179.029 176.870 0.055 0.000 1.202 662 L CA -0.041 54.795 54.840 -0.006 0.000 1.027 662 L CB 0.176 42.278 42.059 0.071 0.000 1.427 662 L HN 0.272 nan 8.230 nan 0.000 0.600 663 H N -1.094 117.919 119.070 -0.095 0.000 2.426 663 H HA -0.183 4.374 4.556 0.001 0.000 0.298 663 H C 0.658 176.049 175.328 0.104 0.000 1.107 663 H CA 1.687 57.608 56.048 -0.212 0.000 1.298 663 H CB -0.111 29.056 29.762 -0.993 0.000 1.377 663 H HN 0.285 nan 8.280 nan 0.000 0.519 664 D N 1.057 121.291 120.400 -0.277 0.000 2.194 664 D HA 0.103 4.744 4.640 0.001 0.000 0.204 664 D C 2.414 178.730 176.300 0.026 0.000 0.964 664 D CA 1.361 55.316 54.000 -0.074 0.000 0.846 664 D CB -0.196 40.481 40.800 -0.204 0.000 0.962 664 D HN 0.511 nan 8.370 nan 0.000 0.490 665 A N -0.202 122.601 122.820 -0.028 0.000 1.930 665 A HA -0.107 4.213 4.320 0.001 0.000 0.217 665 A C 0.470 178.063 177.584 0.015 0.000 1.175 665 A CA 0.498 52.501 52.037 -0.058 0.000 0.627 665 A CB -0.770 18.125 19.000 -0.176 0.000 0.815 665 A HN 0.170 nan 8.150 nan 0.000 0.443 666 Y N 0.486 120.872 120.300 0.142 0.000 2.712 666 Y HA 0.195 4.745 4.550 0.001 0.000 0.333 666 Y C 0.752 176.764 175.900 0.186 0.000 1.225 666 Y CA 0.647 58.875 58.100 0.214 0.000 1.499 666 Y CB 0.314 38.988 38.460 0.356 0.000 1.288 666 Y HN 0.404 nan 8.280 nan 0.000 0.575 667 E N 4.371 124.779 120.200 0.347 0.000 2.073 667 E HA 0.333 4.683 4.350 0.001 0.000 0.269 667 E C -1.234 175.449 176.600 0.139 0.000 0.917 667 E CA -0.475 56.062 56.400 0.229 0.000 0.757 667 E CB 0.350 30.186 29.700 0.227 0.000 1.111 667 E HN 0.582 nan 8.360 nan 0.000 0.410 668 L N 4.945 126.202 121.223 0.057 0.000 2.461 668 L HA 0.016 4.357 4.340 0.001 0.000 0.272 668 L C 1.660 178.445 176.870 -0.141 0.000 1.197 668 L CA -0.345 54.445 54.840 -0.082 0.000 0.836 668 L CB 0.303 42.256 42.059 -0.176 0.000 1.105 668 L HN 0.756 nan 8.230 nan 0.000 0.477 669 L N 2.386 123.438 121.223 -0.285 0.000 2.010 669 L HA -0.229 4.111 4.340 0.001 0.000 0.219 669 L C 1.782 178.359 176.870 -0.487 0.000 1.077 669 L CA 2.221 56.748 54.840 -0.523 0.000 0.773 669 L CB -0.476 41.106 42.059 -0.794 0.000 0.892 669 L HN 0.588 nan 8.230 nan 0.000 0.436 670 W N -0.508 120.753 121.300 -0.064 0.000 2.937 670 W HA 0.022 4.682 4.660 0.001 0.000 0.245 670 W C 2.260 178.771 176.519 -0.014 0.000 1.306 670 W CA 0.280 57.604 57.345 -0.035 0.000 1.470 670 W CB -0.092 29.355 29.460 -0.022 0.000 1.132 670 W HN 0.234 nan 8.180 nan 0.000 0.675 671 E N 0.329 120.611 120.200 0.137 0.000 2.216 671 E HA -0.068 4.283 4.350 0.001 0.000 0.192 671 E C 0.984 177.641 176.600 0.095 0.000 0.988 671 E CA 0.341 56.809 56.400 0.114 0.000 0.834 671 E CB -0.120 29.637 29.700 0.095 0.000 0.772 671 E HN 0.174 nan 8.360 nan 0.000 0.479 672 M N 1.923 121.557 119.600 0.057 0.000 2.290 672 M HA -0.045 4.435 4.480 0.001 0.000 0.356 672 M C -1.764 174.586 176.300 0.083 0.000 1.448 672 M CA -0.745 54.589 55.300 0.057 0.000 0.993 672 M CB 0.079 32.675 32.600 -0.007 0.000 1.934 672 M HN -0.145 nan 8.290 nan 0.000 0.461 673 P HA -0.036 nan 4.420 nan 0.000 0.220 673 P C 0.528 177.874 177.300 0.077 0.000 1.148 673 P CA 0.829 63.971 63.100 0.071 0.000 0.803 673 P CB 0.321 32.057 31.700 0.060 0.000 0.782 674 G N -2.045 106.805 108.800 0.083 0.000 2.561 674 G HA2 0.130 4.090 3.960 0.001 0.000 0.310 674 G HA3 0.130 4.090 3.960 0.001 0.000 0.310 674 G C -0.289 174.643 174.900 0.052 0.000 1.292 674 G CA -0.329 44.824 45.100 0.088 0.000 0.811 674 G HN -0.246 nan 8.290 nan 0.000 0.482 675 N N 0.042 118.775 118.700 0.054 0.000 2.353 675 N HA 0.048 4.789 4.740 0.001 0.000 0.185 675 N C 1.087 176.710 175.510 0.189 0.000 1.098 675 N CA 0.255 53.337 53.050 0.052 0.000 0.872 675 N CB 0.402 38.873 38.487 -0.026 0.000 0.970 675 N HN 0.472 nan 8.380 nan 0.000 0.467 676 D N 0.678 121.191 120.400 0.189 0.000 2.077 676 D HA -0.116 4.524 4.640 0.001 0.000 0.193 676 D C 1.911 178.345 176.300 0.223 0.000 0.989 676 D CA 1.364 55.495 54.000 0.218 0.000 0.831 676 D CB -0.354 40.557 40.800 0.186 0.000 0.979 676 D HN 0.238 nan 8.370 nan 0.000 0.449 677 G N 0.221 109.141 108.800 0.199 0.000 2.476 677 G HA2 -0.339 3.621 3.960 0.001 0.000 0.218 677 G HA3 -0.339 3.621 3.960 0.001 0.000 0.218 677 G C 1.594 176.631 174.900 0.229 0.000 1.164 677 G CA 1.141 46.352 45.100 0.185 0.000 0.768 677 G HN 0.334 nan 8.290 nan 0.000 0.560 678 Y N 1.085 121.494 120.300 0.180 0.000 2.114 678 Y HA -0.080 4.470 4.550 0.001 0.000 0.284 678 Y C 2.677 178.674 175.900 0.161 0.000 1.143 678 Y CA 1.657 59.894 58.100 0.230 0.000 1.135 678 Y CB -0.324 38.248 38.460 0.185 0.000 0.980 678 Y HN 0.124 nan 8.280 nan 0.000 0.499 679 L N 0.278 121.694 121.223 0.322 0.000 2.013 679 L HA -0.332 4.008 4.340 0.001 0.000 0.212 679 L C 2.628 179.562 176.870 0.107 0.000 1.073 679 L CA 1.912 56.885 54.840 0.221 0.000 0.753 679 L CB -0.796 41.452 42.059 0.314 0.000 0.890 679 L HN 0.352 nan 8.230 nan 0.000 0.432 680 Q N -0.340 119.512 119.800 0.086 0.000 2.152 680 Q HA -0.236 4.104 4.340 0.001 0.000 0.206 680 Q C 2.358 178.257 176.000 -0.169 0.000 0.985 680 Q CA 1.417 57.127 55.803 -0.153 0.000 0.863 680 Q CB -0.185 28.426 28.738 -0.212 0.000 0.904 680 Q HN 0.560 nan 8.270 nan 0.000 0.422 681 L N -0.398 120.751 121.223 -0.122 0.000 2.072 681 L HA -0.148 4.192 4.340 0.001 0.000 0.205 681 L C 2.352 179.042 176.870 -0.300 0.000 1.079 681 L CA 0.686 55.425 54.840 -0.168 0.000 0.752 681 L CB -0.398 41.611 42.059 -0.083 0.000 0.906 681 L HN 0.116 nan 8.230 nan 0.000 0.436 682 V N 0.312 120.030 119.914 -0.327 0.000 2.295 682 V HA -0.229 3.891 4.120 0.001 0.000 0.246 682 V C 2.669 178.632 176.094 -0.217 0.000 1.049 682 V CA 2.059 64.167 62.300 -0.321 0.000 1.024 682 V CB -1.220 30.446 31.823 -0.262 0.000 0.648 682 V HN 0.574 nan 8.190 nan 0.000 0.447 683 G N -0.138 108.587 108.800 -0.124 0.000 2.476 683 G HA2 -0.279 3.681 3.960 0.001 0.000 0.218 683 G HA3 -0.279 3.681 3.960 0.001 0.000 0.218 683 G C 1.575 176.386 174.900 -0.147 0.000 1.164 683 G CA 1.318 46.370 45.100 -0.078 0.000 0.768 683 G HN 0.504 nan 8.290 nan 0.000 0.560 684 I N 0.246 120.703 120.570 -0.189 0.000 2.286 684 I HA -0.166 4.004 4.170 0.001 0.000 0.248 684 I C 2.914 178.928 176.117 -0.172 0.000 1.115 684 I CA 1.018 62.224 61.300 -0.156 0.000 1.392 684 I CB -0.149 37.796 38.000 -0.092 0.000 1.065 684 I HN 0.193 nan 8.210 nan 0.000 0.418 685 M N -0.433 118.957 119.600 -0.351 0.000 2.175 685 M HA -0.233 4.247 4.480 0.001 0.000 0.264 685 M C 2.313 178.510 176.300 -0.171 0.000 1.063 685 M CA 1.547 56.544 55.300 -0.505 0.000 1.119 685 M CB -0.329 31.696 32.600 -0.957 0.000 1.377 685 M HN 0.093 nan 8.290 nan 0.000 0.415 686 Q N 1.062 120.775 119.800 -0.144 0.000 2.226 686 Q HA -0.175 4.165 4.340 0.001 0.000 0.204 686 Q C 1.794 177.833 176.000 0.064 0.000 0.975 686 Q CA 1.608 57.391 55.803 -0.033 0.000 0.866 686 Q CB -0.269 28.459 28.738 -0.016 0.000 0.915 686 Q HN 0.418 nan 8.270 nan 0.000 0.440 687 K N -1.225 119.117 120.400 -0.098 0.000 2.103 687 K HA -0.167 4.153 4.320 0.001 0.000 0.207 687 K C 0.940 177.318 176.600 -0.370 0.000 1.048 687 K CA 1.519 57.621 56.287 -0.310 0.000 0.930 687 K CB -0.092 31.900 32.500 -0.848 0.000 0.716 687 K HN 0.258 nan 8.250 nan 0.000 0.444 688 F N 0.482 120.432 119.950 -0.001 0.000 2.678 688 F HA 0.227 4.754 4.527 0.001 0.000 0.291 688 F C 0.689 176.542 175.800 0.088 0.000 1.123 688 F CA -0.471 57.558 58.000 0.047 0.000 1.395 688 F CB 0.294 39.339 39.000 0.075 0.000 1.121 688 F HN -0.160 nan 8.300 nan 0.000 0.592 689 I N 1.663 122.347 120.570 0.190 0.000 2.496 689 I HA -0.027 4.143 4.170 0.001 0.000 0.285 689 I C 0.959 177.082 176.117 0.010 0.000 1.080 689 I CA 0.106 61.477 61.300 0.118 0.000 1.404 689 I CB 0.440 38.483 38.000 0.071 0.000 1.403 689 I HN 0.156 nan 8.210 nan 0.000 0.539 690 D N 4.353 124.785 120.400 0.052 0.000 2.097 690 D HA -0.118 4.523 4.640 0.001 0.000 0.197 690 D C 1.344 177.642 176.300 -0.002 0.000 0.984 690 D CA 1.487 55.502 54.000 0.025 0.000 0.826 690 D CB 0.488 41.343 40.800 0.092 0.000 0.973 690 D HN 0.612 nan 8.370 nan 0.000 0.460 691 Q N -0.031 119.784 119.800 0.026 0.000 3.073 691 Q HA 0.307 4.647 4.340 0.001 0.000 0.219 691 Q C 0.518 176.517 176.000 -0.002 0.000 1.167 691 Q CA -0.272 55.545 55.803 0.024 0.000 0.334 691 Q CB 0.359 29.115 28.738 0.030 0.000 5.769 691 Q HN -0.049 nan 8.270 nan 0.000 0.319 692 S N -1.153 114.546 115.700 -0.003 0.000 2.841 692 S HA 0.660 5.131 4.470 0.001 0.000 0.318 692 S C -1.370 173.222 174.600 -0.013 0.000 1.127 692 S CA -0.744 57.453 58.200 -0.006 0.000 0.883 692 S CB 0.827 64.026 63.200 -0.003 0.000 1.271 692 S HN 0.336 nan 8.310 nan 0.000 0.567 693 I N 1.298 121.858 120.570 -0.017 0.000 2.608 693 I HA 0.342 4.512 4.170 0.001 0.000 0.295 693 I C -0.285 175.821 176.117 -0.018 0.000 1.049 693 I CA -0.503 60.780 61.300 -0.028 0.000 1.063 693 I CB 2.270 40.232 38.000 -0.063 0.000 1.248 693 I HN 0.396 nan 8.210 nan 0.000 0.424 694 S N 4.764 120.450 115.700 -0.024 0.000 3.517 694 S HA 0.394 4.864 4.470 0.001 0.000 0.284 694 S C 0.207 174.826 174.600 0.031 0.000 1.260 694 S CA -0.488 57.686 58.200 -0.043 0.000 0.975 694 S CB -0.356 62.803 63.200 -0.068 0.000 1.540 694 S HN 0.601 nan 8.310 nan 0.000 0.506 695 A N 3.901 126.764 122.820 0.072 0.000 2.301 695 A HA 0.523 4.843 4.320 0.001 0.000 0.312 695 A C 0.204 177.929 177.584 0.236 0.000 1.182 695 A CA -0.763 51.399 52.037 0.209 0.000 0.826 695 A CB 0.488 19.601 19.000 0.189 0.000 1.134 695 A HN 0.724 nan 8.150 nan 0.000 0.501 696 N N -0.127 118.753 118.700 0.300 0.000 2.443 696 N HA 0.610 5.350 4.740 0.001 0.000 0.293 696 N C -0.467 175.088 175.510 0.075 0.000 1.159 696 N CA -0.485 52.663 53.050 0.164 0.000 0.904 696 N CB 1.712 40.253 38.487 0.090 0.000 1.214 696 N HN 0.735 nan 8.380 nan 0.000 0.513 697 T N -1.175 113.447 114.554 0.112 0.000 2.855 697 T HA 0.473 4.823 4.350 0.001 0.000 0.281 697 T C -0.853 173.819 174.700 -0.048 0.000 1.007 697 T CA -0.995 61.120 62.100 0.025 0.000 1.009 697 T CB 0.966 69.968 68.868 0.223 0.000 0.983 697 T HN 0.389 nan 8.240 nan 0.000 0.455 698 N N 1.617 120.123 118.700 -0.323 0.000 2.249 698 N HA 0.394 5.134 4.740 0.001 0.000 0.296 698 N C -1.826 173.485 175.510 -0.331 0.000 1.051 698 N CA -0.583 52.352 53.050 -0.191 0.000 0.815 698 N CB 2.381 40.624 38.487 -0.406 0.000 1.487 698 N HN 0.645 nan 8.380 nan 0.000 0.475 699 Y N -0.458 120.121 120.300 0.465 0.000 2.421 699 Y HA 0.195 4.745 4.550 0.001 0.000 0.339 699 Y C -0.481 175.583 175.900 0.273 0.000 0.996 699 Y CA -0.952 57.378 58.100 0.384 0.000 1.046 699 Y CB 1.911 40.447 38.460 0.126 0.000 1.226 699 Y HN 0.381 nan 8.280 nan 0.000 0.445 700 D N 4.792 125.420 120.400 0.381 0.000 2.359 700 D HA 0.257 4.898 4.640 0.001 0.000 0.230 700 D C -2.001 174.436 176.300 0.228 0.000 1.118 700 D CA -2.273 51.740 54.000 0.021 0.000 0.844 700 D CB 2.008 42.800 40.800 -0.013 0.000 1.059 700 D HN 0.243 nan 8.370 nan 0.000 0.493 701 P HA -0.165 nan 4.420 nan 0.000 0.216 701 P C 1.291 178.707 177.300 0.193 0.000 1.150 701 P CA 1.208 64.382 63.100 0.123 0.000 0.843 701 P CB 0.171 31.873 31.700 0.002 0.000 0.787 702 S N -1.208 114.546 115.700 0.089 0.000 2.555 702 S HA -0.046 4.424 4.470 0.001 0.000 0.230 702 S C 1.769 176.411 174.600 0.069 0.000 0.978 702 S CA 0.472 58.709 58.200 0.061 0.000 0.934 702 S CB -0.746 62.454 63.200 -0.001 0.000 0.766 702 S HN 0.118 nan 8.310 nan 0.000 0.533 703 R N -0.418 120.146 120.500 0.107 0.000 2.299 703 R HA 0.297 4.637 4.340 0.001 0.000 0.197 703 R C -0.772 175.373 176.300 -0.258 0.000 0.971 703 R CA 0.266 56.321 56.100 -0.075 0.000 1.030 703 R CB 0.045 30.266 30.300 -0.131 0.000 0.932 703 R HN 0.417 nan 8.270 nan 0.000 0.477 704 F N 0.387 120.363 119.950 0.044 0.000 2.522 704 F HA 0.383 4.910 4.527 0.001 0.000 0.324 704 F C -2.071 173.743 175.800 0.024 0.000 1.077 704 F CA -3.321 54.704 58.000 0.042 0.000 0.944 704 F CB 1.294 40.322 39.000 0.047 0.000 1.175 704 F HN -0.247 nan 8.300 nan 0.000 0.468 705 P HA 0.162 nan 4.420 nan 0.000 0.276 705 P C -0.119 177.240 177.300 0.098 0.000 1.230 705 P CA -0.026 63.137 63.100 0.105 0.000 0.776 705 P CB 0.969 32.719 31.700 0.084 0.000 0.888 706 S N 2.041 117.780 115.700 0.064 0.000 3.473 706 S HA -0.192 4.279 4.470 0.001 0.000 0.339 706 S C 1.276 175.906 174.600 0.051 0.000 1.148 706 S CA 1.160 59.388 58.200 0.047 0.000 0.969 706 S CB -2.194 61.028 63.200 0.036 0.000 0.936 706 S HN 1.111 nan 8.310 nan 0.000 0.530 707 G N 0.621 109.469 108.800 0.079 0.000 2.233 707 G HA2 -0.370 3.591 3.960 0.001 0.000 0.270 707 G HA3 -0.370 3.591 3.960 0.001 0.000 0.270 707 G C -0.216 174.711 174.900 0.045 0.000 1.011 707 G CA 1.105 46.251 45.100 0.077 0.000 0.762 707 G HN 1.027 nan 8.290 nan 0.000 0.511 708 K N -0.776 119.646 120.400 0.037 0.000 2.345 708 K HA 0.738 5.059 4.320 0.001 0.000 0.255 708 K C -0.271 176.247 176.600 -0.137 0.000 0.934 708 K CA -1.264 54.995 56.287 -0.048 0.000 0.801 708 K CB 3.000 35.478 32.500 -0.037 0.000 1.137 708 K HN -0.008 nan 8.250 nan 0.000 0.424 709 V N 4.061 123.769 119.914 -0.342 0.000 2.555 709 V HA 0.169 4.289 4.120 0.001 0.000 0.286 709 V C -1.766 174.105 176.094 -0.371 0.000 1.044 709 V CA -1.276 60.609 62.300 -0.691 0.000 1.026 709 V CB 0.405 31.700 31.823 -0.881 0.000 0.981 709 V HN 0.816 nan 8.190 nan 0.000 0.480 710 P HA 0.156 nan 4.420 nan 0.000 0.281 710 P C 0.595 177.833 177.300 -0.103 0.000 1.252 710 P CA -0.545 62.504 63.100 -0.085 0.000 0.778 710 P CB 0.885 32.611 31.700 0.044 0.000 0.895 711 M N 3.307 122.864 119.600 -0.070 0.000 2.116 711 M HA -0.273 4.207 4.480 0.001 0.000 0.255 711 M C 2.019 178.311 176.300 -0.013 0.000 1.075 711 M CA 2.050 57.323 55.300 -0.046 0.000 1.087 711 M CB -1.268 31.324 32.600 -0.013 0.000 1.340 711 M HN 0.458 nan 8.290 nan 0.000 0.402 712 Q N -0.554 119.253 119.800 0.012 0.000 2.045 712 Q HA -0.235 4.106 4.340 0.001 0.000 0.206 712 Q C 2.210 178.246 176.000 0.060 0.000 0.991 712 Q CA 2.247 58.073 55.803 0.039 0.000 0.851 712 Q CB -0.406 28.364 28.738 0.053 0.000 0.911 712 Q HN 0.549 nan 8.270 nan 0.000 0.418 713 Q N -0.145 119.701 119.800 0.076 0.000 2.124 713 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 713 Q C 2.135 178.209 176.000 0.123 0.000 0.977 713 Q CA 1.331 57.223 55.803 0.149 0.000 0.850 713 Q CB -0.285 28.606 28.738 0.256 0.000 0.901 713 Q HN 0.496 nan 8.270 nan 0.000 0.429 714 L N -0.159 121.048 121.223 -0.027 0.000 2.012 714 L HA -0.226 4.115 4.340 0.001 0.000 0.210 714 L C 2.450 179.382 176.870 0.104 0.000 1.073 714 L CA 1.024 55.849 54.840 -0.025 0.000 0.748 714 L CB -0.500 41.483 42.059 -0.127 0.000 0.891 714 L HN 0.212 nan 8.230 nan 0.000 0.431 715 L N -0.392 120.879 121.223 0.080 0.000 2.072 715 L HA -0.195 4.145 4.340 0.001 0.000 0.205 715 L C 2.640 179.560 176.870 0.083 0.000 1.079 715 L CA 0.916 55.807 54.840 0.086 0.000 0.752 715 L CB -0.441 41.643 42.059 0.042 0.000 0.906 715 L HN 0.189 nan 8.230 nan 0.000 0.436 716 K N 0.817 121.269 120.400 0.086 0.000 2.015 716 K HA -0.250 4.070 4.320 0.001 0.000 0.216 716 K C 1.623 178.288 176.600 0.110 0.000 1.052 716 K CA 2.255 58.593 56.287 0.086 0.000 0.937 716 K CB -0.376 32.189 32.500 0.108 0.000 0.719 716 K HN 0.152 nan 8.250 nan 0.000 0.446 717 D N 0.237 120.743 120.400 0.177 0.000 2.116 717 D HA -0.188 4.453 4.640 0.001 0.000 0.193 717 D C 1.895 178.304 176.300 0.183 0.000 0.998 717 D CA 1.442 55.567 54.000 0.209 0.000 0.836 717 D CB -0.486 40.501 40.800 0.312 0.000 0.951 717 D HN 0.244 nan 8.370 nan 0.000 0.449 718 L N 0.316 121.657 121.223 0.196 0.000 2.081 718 L HA -0.172 4.169 4.340 0.001 0.000 0.212 718 L C 2.052 178.993 176.870 0.117 0.000 1.080 718 L CA 1.460 56.427 54.840 0.211 0.000 0.754 718 L CB -0.318 41.901 42.059 0.267 0.000 0.893 718 L HN 0.055 nan 8.230 nan 0.000 0.433 719 L N -1.916 119.326 121.223 0.032 0.000 2.068 719 L HA -0.140 4.200 4.340 0.001 0.000 0.204 719 L C 2.347 179.164 176.870 -0.089 0.000 1.076 719 L CA 1.408 56.188 54.840 -0.099 0.000 0.753 719 L CB -1.194 40.803 42.059 -0.102 0.000 0.910 719 L HN 0.185 nan 8.230 nan 0.000 0.439 720 T N 0.476 114.996 114.554 -0.057 0.000 2.592 720 T HA -0.344 4.006 4.350 0.001 0.000 0.267 720 T C 2.026 176.667 174.700 -0.097 0.000 1.060 720 T CA 1.851 63.877 62.100 -0.124 0.000 1.167 720 T CB -0.484 68.414 68.868 0.049 0.000 0.863 720 T HN 0.476 nan 8.240 nan 0.000 0.431 721 A N 0.588 123.454 122.820 0.077 0.000 1.869 721 A HA -0.220 4.101 4.320 0.001 0.000 0.218 721 A C 2.122 179.767 177.584 0.102 0.000 1.203 721 A CA 2.328 54.451 52.037 0.143 0.000 0.638 721 A CB -1.334 17.787 19.000 0.201 0.000 0.831 721 A HN 0.655 nan 8.150 nan 0.000 0.450 722 Y N 0.356 120.620 120.300 -0.061 0.000 2.224 722 Y HA -0.181 4.369 4.550 0.001 0.000 0.289 722 Y C 2.405 178.312 175.900 0.011 0.000 1.146 722 Y CA 2.292 60.356 58.100 -0.060 0.000 1.182 722 Y CB -0.157 38.025 38.460 -0.463 0.000 0.983 722 Y HN 0.327 nan 8.280 nan 0.000 0.524 723 K N -0.546 119.786 120.400 -0.114 0.000 2.097 723 K HA -0.165 4.155 4.320 0.001 0.000 0.206 723 K C 0.829 177.258 176.600 -0.284 0.000 1.049 723 K CA 1.463 57.580 56.287 -0.283 0.000 0.933 723 K CB -0.331 31.835 32.500 -0.557 0.000 0.717 723 K HN 0.305 nan 8.250 nan 0.000 0.442 724 F N 0.238 120.150 119.950 -0.064 0.000 2.664 724 F HA 0.259 4.786 4.527 0.001 0.000 0.301 724 F C 1.270 176.956 175.800 -0.189 0.000 1.126 724 F CA 0.195 58.135 58.000 -0.100 0.000 1.373 724 F CB 0.219 39.190 39.000 -0.048 0.000 1.042 724 F HN 0.255 nan 8.300 nan 0.000 0.535 725 G N 0.329 109.010 108.800 -0.200 0.000 2.143 725 G HA2 -0.265 3.695 3.960 0.001 0.000 0.248 725 G HA3 -0.265 3.695 3.960 0.001 0.000 0.248 725 G C 0.151 174.934 174.900 -0.195 0.000 0.991 725 G CA 0.102 44.863 45.100 -0.564 0.000 0.689 725 G HN 0.149 nan 8.290 nan 0.000 0.522 726 V N 0.943 120.872 119.914 0.025 0.000 2.493 726 V HA 0.091 4.212 4.120 0.001 0.000 0.292 726 V C 1.767 177.974 176.094 0.189 0.000 1.016 726 V CA 1.099 63.461 62.300 0.104 0.000 1.097 726 V CB 1.124 33.030 31.823 0.139 0.000 0.947 726 V HN 0.461 nan 8.190 nan 0.000 0.479 727 K N 2.709 123.195 120.400 0.144 0.000 2.021 727 K HA 0.025 4.346 4.320 0.001 0.000 0.205 727 K C 0.841 177.542 176.600 0.169 0.000 1.047 727 K CA 1.303 57.690 56.287 0.168 0.000 0.943 727 K CB -0.004 32.559 32.500 0.105 0.000 0.725 727 K HN 0.824 nan 8.250 nan 0.000 0.439 728 T N -0.980 113.656 114.554 0.136 0.000 2.942 728 T HA 0.646 4.996 4.350 0.001 0.000 0.289 728 T C -0.067 174.730 174.700 0.161 0.000 1.044 728 T CA -0.975 61.215 62.100 0.149 0.000 1.023 728 T CB 1.679 70.604 68.868 0.096 0.000 1.123 728 T HN -0.082 nan 8.240 nan 0.000 0.512 732 Q N 3.709 123.777 119.800 0.446 0.000 2.316 732 Q HA 0.413 4.753 4.340 0.001 0.000 0.264 732 Q C -1.593 174.557 176.000 0.251 0.000 0.987 732 Q CA -0.727 55.270 55.803 0.325 0.000 0.852 732 Q CB 1.824 30.742 28.738 0.300 0.000 1.287 732 Q HN 0.729 nan 8.270 nan 0.000 0.448 733 N N 1.594 120.443 118.700 0.248 0.000 2.296 733 N HA 0.365 5.105 4.740 0.001 0.000 0.294 733 N C -1.387 174.350 175.510 0.379 0.000 1.033 733 N CA -0.578 52.613 53.050 0.236 0.000 0.839 733 N CB 2.032 40.617 38.487 0.163 0.000 1.395 733 N HN 0.287 nan 8.380 nan 0.000 0.479 734 T N 0.679 115.388 114.554 0.259 0.000 2.758 734 T HA 0.255 4.605 4.350 0.001 0.000 0.285 734 T C 0.523 175.248 174.700 0.040 0.000 0.981 734 T CA -0.709 61.504 62.100 0.188 0.000 0.965 734 T CB 1.607 70.526 68.868 0.085 0.000 0.927 734 T HN 0.376 nan 8.240 nan 0.000 0.448 735 R N 2.686 123.030 120.500 -0.260 0.000 2.679 735 R HA 0.041 4.381 4.340 0.001 0.000 0.268 735 R C -0.536 175.588 176.300 -0.292 0.000 1.044 735 R CA -0.184 55.589 56.100 -0.546 0.000 1.105 735 R CB 0.309 29.695 30.300 -1.524 0.000 0.989 735 R HN 0.680 nan 8.270 nan 0.000 0.447 736 D N 2.952 123.228 120.400 -0.207 0.000 2.485 736 D HA 0.436 5.077 4.640 0.001 0.000 0.221 736 D C 0.066 176.279 176.300 -0.144 0.000 1.112 736 D CA -0.426 53.495 54.000 -0.132 0.000 0.911 736 D CB 1.240 41.997 40.800 -0.071 0.000 1.019 736 D HN 0.730 nan 8.370 nan 0.000 0.516 737 G N 0.000 108.710 108.800 -0.151 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 45.026 45.100 -0.124 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925