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 2x0x_1_A DATA FIRST_RESID 4 DATA SEQUENCE NLLVTKRDGS TERINLDKIH RVLDWAAEGL HNVSISQVEL RSHIQFYDGI DATA SEQUENCE KTSDIHETII KAAADLISRD APDYQYLAAR LAIFHLRKKA YGQFEPPALY DATA SEQUENCE DHVVKMVEMG KYDNHLLEDY TEEEFKQMDT FIDHDRDMTF SYAAVKQLEG DATA SEQUENCE KYLVQNRVTG EIYESAQFLY ILVAACLFSN YPRETRLQYV KRFYDAVSTF DATA SEQUENCE KISLPTPIMS GVRTPTRQFS SCVLIECGDS LDSINATSSA IVKYVSQRAG DATA SEQUENCE IGINAGRIRA LGSPXXXXXX FHTGCIPFYK HFQTAVKSCS QGGVRGGAAT DATA SEQUENCE LFYPMWHLEV ESLLVLKNNR GVEGNRVRHM DYGVQINKLM YTRLLKGEDI DATA SEQUENCE TLFSPSDVPG LYDAFFADQE EFERLYTKYE KDDSIRKQRV KAVELFSLMM DATA SEQUENCE QERASTGRIY IQNVDHCNTH SPFDPAIAPV 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 FGVKTLYYQN 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 0.000 175.516 175.510 0.010 0.000 1.280 4 N CA 0.000 53.058 53.050 0.013 0.000 0.885 4 N CB 0.000 38.494 38.487 0.011 0.000 1.341 5 L N 1.431 122.661 121.223 0.012 0.000 2.794 5 L HA -0.124 4.216 4.340 0.001 0.000 0.613 5 L C -1.322 175.534 176.870 -0.025 0.000 1.002 5 L CA 0.017 54.859 54.840 0.004 0.000 1.323 5 L CB -0.399 41.670 42.059 0.015 0.000 1.787 5 L HN 0.269 nan 8.230 nan 0.000 0.859 6 L N 4.777 125.984 121.223 -0.027 0.000 2.375 6 L HA 0.679 5.019 4.340 0.001 0.000 0.271 6 L C 0.041 176.858 176.870 -0.088 0.000 1.107 6 L CA -0.696 54.118 54.840 -0.043 0.000 0.806 6 L CB 1.487 43.534 42.059 -0.021 0.000 1.146 6 L HN 0.248 nan 8.230 nan 0.000 0.447 7 V N 0.838 120.693 119.914 -0.097 0.000 2.487 7 V HA 0.312 4.432 4.120 0.001 0.000 0.298 7 V C -0.102 175.933 176.094 -0.099 0.000 1.028 7 V CA -0.607 61.609 62.300 -0.140 0.000 0.860 7 V CB 1.939 33.668 31.823 -0.156 0.000 0.991 7 V HN 0.756 nan 8.190 nan 0.000 0.427 8 T N 4.898 119.390 114.554 -0.102 0.000 2.749 8 T HA 0.359 4.710 4.350 0.001 0.000 0.295 8 T C 0.107 174.762 174.700 -0.074 0.000 0.936 8 T CA -0.470 61.590 62.100 -0.067 0.000 1.060 8 T CB 0.843 69.686 68.868 -0.042 0.000 0.904 8 T HN 0.438 nan 8.240 nan 0.000 0.500 9 K N 2.316 122.683 120.400 -0.056 0.000 2.180 9 K HA 0.193 4.513 4.320 0.001 0.000 0.251 9 K C 1.805 178.377 176.600 -0.046 0.000 1.014 9 K CA -0.694 55.561 56.287 -0.053 0.000 0.913 9 K CB 0.514 32.992 32.500 -0.037 0.000 1.008 9 K HN 0.372 nan 8.250 nan 0.000 0.490 10 R N 1.146 121.617 120.500 -0.048 0.000 2.115 10 R HA -0.135 4.205 4.340 0.001 0.000 0.230 10 R C 1.233 177.519 176.300 -0.025 0.000 1.111 10 R CA 1.792 57.870 56.100 -0.037 0.000 0.976 10 R CB -0.950 29.326 30.300 -0.040 0.000 0.870 10 R HN 0.850 nan 8.270 nan 0.000 0.445 11 D N 0.068 120.455 120.400 -0.022 0.000 2.103 11 D HA -0.165 4.476 4.640 0.001 0.000 0.190 11 D C 1.420 177.712 176.300 -0.014 0.000 0.997 11 D CA 3.054 57.045 54.000 -0.015 0.000 0.833 11 D CB -0.116 40.676 40.800 -0.014 0.000 0.961 11 D HN 0.396 nan 8.370 nan 0.000 0.447 12 G N -1.315 107.475 108.800 -0.016 0.000 3.819 12 G HA2 -0.056 3.904 3.960 0.001 0.000 0.210 12 G HA3 -0.056 3.904 3.960 0.001 0.000 0.210 12 G C 0.314 175.206 174.900 -0.013 0.000 1.018 12 G CA 0.350 45.442 45.100 -0.013 0.000 0.882 12 G HN 0.708 nan 8.290 nan 0.000 0.377 13 S N 0.770 116.461 115.700 -0.014 0.000 2.713 13 S HA 0.700 5.170 4.470 0.001 0.000 0.277 13 S C 0.702 175.290 174.600 -0.020 0.000 1.168 13 S CA 0.754 58.946 58.200 -0.013 0.000 0.994 13 S CB 1.292 64.486 63.200 -0.010 0.000 1.054 13 S HN 1.329 nan 8.310 nan 0.000 0.555 14 T N -1.980 112.564 114.554 -0.018 0.000 2.814 14 T HA 0.671 5.021 4.350 0.001 0.000 0.284 14 T C -0.339 174.346 174.700 -0.025 0.000 0.998 14 T CA -0.538 61.548 62.100 -0.024 0.000 0.935 14 T CB 0.558 69.415 68.868 -0.017 0.000 1.167 14 T HN 0.932 nan 8.240 nan 0.000 0.545 15 E N -1.021 119.161 120.200 -0.031 0.000 2.470 15 E HA 0.251 4.601 4.350 0.001 0.000 0.287 15 E C -1.345 175.235 176.600 -0.033 0.000 1.126 15 E CA -0.725 55.658 56.400 -0.028 0.000 0.902 15 E CB 1.309 30.992 29.700 -0.029 0.000 1.196 15 E HN 0.668 nan 8.360 nan 0.000 0.430 16 R N 2.261 122.747 120.500 -0.023 0.000 2.522 16 R HA 0.145 4.485 4.340 0.001 0.000 0.284 16 R C 0.374 176.654 176.300 -0.033 0.000 1.032 16 R CA -0.067 56.019 56.100 -0.022 0.000 1.049 16 R CB 0.321 30.615 30.300 -0.010 0.000 0.956 16 R HN 0.383 nan 8.270 nan 0.000 0.422 17 I N 3.688 124.232 120.570 -0.044 0.000 2.662 17 I HA -0.127 4.044 4.170 0.001 0.000 0.285 17 I C -0.132 175.968 176.117 -0.028 0.000 1.161 17 I CA 0.476 61.739 61.300 -0.062 0.000 1.415 17 I CB 0.131 38.081 38.000 -0.083 0.000 1.385 17 I HN 0.591 nan 8.210 nan 0.000 0.552 18 N N 8.025 126.713 118.700 -0.020 0.000 2.719 18 N HA 0.150 4.891 4.740 0.001 0.000 0.243 18 N C 0.838 176.369 175.510 0.036 0.000 1.104 18 N CA -0.214 52.843 53.050 0.011 0.000 0.981 18 N CB 0.326 38.824 38.487 0.018 0.000 1.290 18 N HN 0.606 nan 8.380 nan 0.000 0.513 19 L N 0.717 121.969 121.223 0.049 0.000 2.275 19 L HA -0.061 4.279 4.340 0.001 0.000 0.215 19 L C 1.400 178.349 176.870 0.132 0.000 1.119 19 L CA 0.771 55.673 54.840 0.105 0.000 0.790 19 L CB 0.005 42.130 42.059 0.111 0.000 0.919 19 L HN 0.378 nan 8.230 nan 0.000 0.443 20 D N 0.126 120.578 120.400 0.088 0.000 2.149 20 D HA -0.159 4.481 4.640 0.001 0.000 0.201 20 D C 2.094 178.457 176.300 0.105 0.000 0.972 20 D CA 0.865 54.922 54.000 0.094 0.000 0.835 20 D CB 0.142 40.974 40.800 0.054 0.000 0.966 20 D HN 0.232 nan 8.370 nan 0.000 0.476 21 K N 0.990 121.434 120.400 0.072 0.000 2.026 21 K HA -0.103 4.218 4.320 0.001 0.000 0.208 21 K C 2.362 178.987 176.600 0.042 0.000 1.048 21 K CA 0.566 56.882 56.287 0.048 0.000 0.929 21 K CB -0.134 32.393 32.500 0.044 0.000 0.713 21 K HN 0.093 nan 8.250 nan 0.000 0.439 22 I N 0.087 120.708 120.570 0.084 0.000 2.127 22 I HA -0.326 3.844 4.170 0.001 0.000 0.241 22 I C 2.488 178.668 176.117 0.104 0.000 1.075 22 I CA 1.737 63.099 61.300 0.103 0.000 1.334 22 I CB -0.419 37.705 38.000 0.206 0.000 1.040 22 I HN 0.331 nan 8.210 nan 0.000 0.405 23 H N 0.719 119.830 119.070 0.068 0.000 2.421 23 H HA -0.147 4.409 4.556 0.001 0.000 0.298 23 H C 2.361 177.701 175.328 0.019 0.000 1.087 23 H CA 1.662 57.737 56.048 0.046 0.000 1.330 23 H CB 0.037 29.829 29.762 0.050 0.000 1.388 23 H HN 0.090 nan 8.280 nan 0.000 0.526 24 R N -0.589 119.929 120.500 0.030 0.000 2.062 24 R HA -0.079 4.261 4.340 0.001 0.000 0.229 24 R C 2.264 178.523 176.300 -0.068 0.000 1.128 24 R CA 1.331 57.419 56.100 -0.020 0.000 0.960 24 R CB -0.156 30.150 30.300 0.010 0.000 0.855 24 R HN 0.218 nan 8.270 nan 0.000 0.432 25 V N 1.405 121.245 119.914 -0.124 0.000 2.287 25 V HA -0.271 3.850 4.120 0.001 0.000 0.248 25 V C 2.326 178.409 176.094 -0.019 0.000 1.053 25 V CA 1.697 63.880 62.300 -0.196 0.000 1.027 25 V CB -0.414 31.086 31.823 -0.538 0.000 0.646 25 V HN 0.338 nan 8.190 nan 0.000 0.447 26 L N -0.327 120.842 121.223 -0.091 0.000 2.046 26 L HA -0.208 4.132 4.340 0.001 0.000 0.208 26 L C 2.490 179.279 176.870 -0.135 0.000 1.077 26 L CA 1.789 56.571 54.840 -0.097 0.000 0.747 26 L CB -0.655 41.336 42.059 -0.112 0.000 0.896 26 L HN 0.381 nan 8.230 nan 0.000 0.432 27 D N -0.716 119.564 120.400 -0.201 0.000 2.123 27 D HA -0.252 4.388 4.640 0.001 0.000 0.196 27 D C 1.834 178.099 176.300 -0.058 0.000 0.992 27 D CA 1.172 55.067 54.000 -0.175 0.000 0.833 27 D CB -0.034 40.643 40.800 -0.205 0.000 0.954 27 D HN 0.429 nan 8.370 nan 0.000 0.455 28 W N 1.923 123.120 121.300 -0.173 0.000 2.332 28 W HA -0.180 4.480 4.660 0.001 0.000 0.321 28 W C 2.279 178.736 176.519 -0.105 0.000 1.219 28 W CA 2.600 59.863 57.345 -0.137 0.000 1.277 28 W CB -0.721 28.632 29.460 -0.177 0.000 1.161 28 W HN -0.046 nan 8.180 nan 0.000 0.476 29 A N 0.630 123.187 122.820 -0.439 0.000 2.076 29 A HA 0.018 4.338 4.320 0.001 0.000 0.220 29 A C 2.023 179.353 177.584 -0.423 0.000 1.160 29 A CA 2.133 53.757 52.037 -0.689 0.000 0.653 29 A CB -1.365 17.450 19.000 -0.308 0.000 0.801 29 A HN 0.547 nan 8.150 nan 0.000 0.455 30 A N -0.659 121.985 122.820 -0.293 0.000 2.169 30 A HA 0.206 4.527 4.320 0.001 0.000 0.212 30 A C 0.844 178.280 177.584 -0.246 0.000 1.153 30 A CA 0.380 52.273 52.037 -0.239 0.000 0.756 30 A CB -0.272 18.615 19.000 -0.188 0.000 0.813 30 A HN 0.483 nan 8.150 nan 0.000 0.471 31 E N -0.101 119.940 120.200 -0.265 0.000 3.072 31 E HA 0.188 4.538 4.350 0.001 0.000 0.241 31 E C 1.320 177.781 176.600 -0.232 0.000 0.962 31 E CA 1.294 57.563 56.400 -0.218 0.000 0.955 31 E CB -0.559 29.006 29.700 -0.226 0.000 0.899 31 E HN 0.762 nan 8.360 nan 0.000 0.547 32 G N 3.266 111.928 108.800 -0.230 0.000 2.205 32 G HA2 -0.294 3.666 3.960 0.001 0.000 0.261 32 G HA3 -0.294 3.666 3.960 0.001 0.000 0.261 32 G C 0.191 174.802 174.900 -0.482 0.000 0.980 32 G CA 0.235 45.160 45.100 -0.291 0.000 0.632 32 G HN 0.463 nan 8.290 nan 0.000 0.533 33 L N 0.414 121.387 121.223 -0.416 0.000 2.375 33 L HA 0.650 4.991 4.340 0.001 0.000 0.271 33 L C 0.566 177.139 176.870 -0.494 0.000 1.107 33 L CA -0.879 53.720 54.840 -0.403 0.000 0.806 33 L CB 0.879 42.788 42.059 -0.250 0.000 1.146 33 L HN 0.233 nan 8.230 nan 0.000 0.447 34 H N 0.862 119.877 119.070 -0.091 0.000 2.524 34 H HA 0.276 4.833 4.556 0.001 0.000 0.353 34 H C -0.057 175.205 175.328 -0.109 0.000 1.136 34 H CA -0.672 55.327 56.048 -0.081 0.000 1.193 34 H CB 1.226 30.963 29.762 -0.042 0.000 1.558 34 H HN 0.650 nan 8.280 nan 0.000 0.515 35 N N -0.177 118.541 118.700 0.030 0.000 2.818 35 N HA -0.179 4.562 4.740 0.001 0.000 0.250 35 N C -1.135 174.285 175.510 -0.150 0.000 1.108 35 N CA 0.705 53.741 53.050 -0.023 0.000 0.745 35 N CB -0.529 37.965 38.487 0.012 0.000 1.104 35 N HN 0.333 nan 8.380 nan 0.000 0.557 36 V N -2.391 117.364 119.914 -0.264 0.000 2.459 36 V HA 0.770 4.890 4.120 0.001 0.000 0.295 36 V C 0.356 176.355 176.094 -0.158 0.000 1.029 36 V CA -0.499 61.496 62.300 -0.508 0.000 0.874 36 V CB 1.961 33.323 31.823 -0.769 0.000 0.985 36 V HN 0.124 nan 8.190 nan 0.000 0.438 37 S N 4.218 119.943 115.700 0.043 0.000 2.461 37 S HA 0.516 4.987 4.470 0.001 0.000 0.322 37 S C 0.798 175.446 174.600 0.081 0.000 1.063 37 S CA -0.703 57.541 58.200 0.072 0.000 1.120 37 S CB 0.496 63.755 63.200 0.099 0.000 0.968 37 S HN 0.712 nan 8.310 nan 0.000 0.467 38 I N 4.238 124.823 120.570 0.024 0.000 2.226 38 I HA -0.158 4.013 4.170 0.001 0.000 0.245 38 I C 2.723 178.853 176.117 0.022 0.000 1.100 38 I CA 1.508 62.815 61.300 0.012 0.000 1.374 38 I CB -0.365 37.614 38.000 -0.035 0.000 1.057 38 I HN 0.801 nan 8.210 nan 0.000 0.413 39 S N 0.265 115.984 115.700 0.032 0.000 2.382 39 S HA -0.284 4.187 4.470 0.001 0.000 0.228 39 S C 2.018 176.589 174.600 -0.049 0.000 1.027 39 S CA 1.314 59.511 58.200 -0.004 0.000 0.991 39 S CB -0.406 62.797 63.200 0.005 0.000 0.823 39 S HN 0.374 nan 8.310 nan 0.000 0.469 40 Q N 1.112 120.902 119.800 -0.017 0.000 2.084 40 Q HA -0.009 4.331 4.340 0.001 0.000 0.202 40 Q C 2.076 178.036 176.000 -0.068 0.000 0.978 40 Q CA 1.917 57.700 55.803 -0.034 0.000 0.844 40 Q CB -0.707 28.035 28.738 0.006 0.000 0.898 40 Q HN 0.510 nan 8.270 nan 0.000 0.426 41 V N 0.367 120.260 119.914 -0.036 0.000 2.358 41 V HA -0.229 3.892 4.120 0.001 0.000 0.246 41 V C 2.005 178.019 176.094 -0.134 0.000 1.047 41 V CA 2.065 64.332 62.300 -0.054 0.000 1.035 41 V CB -0.518 31.314 31.823 0.016 0.000 0.658 41 V HN 0.404 nan 8.190 nan 0.000 0.452 42 E N 0.096 120.174 120.200 -0.202 0.000 2.058 42 E HA -0.210 4.141 4.350 0.001 0.000 0.194 42 E C 2.253 178.486 176.600 -0.611 0.000 0.997 42 E CA 1.434 57.515 56.400 -0.532 0.000 0.801 42 E CB -0.227 29.204 29.700 -0.448 0.000 0.746 42 E HN 0.483 nan 8.360 nan 0.000 0.450 43 L N 0.297 121.329 121.223 -0.318 0.000 2.012 43 L HA -0.216 4.124 4.340 0.001 0.000 0.210 43 L C 2.575 179.332 176.870 -0.188 0.000 1.073 43 L CA 1.356 56.065 54.840 -0.218 0.000 0.748 43 L CB -0.309 41.672 42.059 -0.129 0.000 0.891 43 L HN 0.061 nan 8.230 nan 0.000 0.431 44 R N -0.470 119.930 120.500 -0.166 0.000 2.115 44 R HA -0.096 4.244 4.340 0.001 0.000 0.226 44 R C 2.551 178.767 176.300 -0.140 0.000 1.100 44 R CA 1.498 57.520 56.100 -0.130 0.000 0.980 44 R CB -0.160 30.072 30.300 -0.113 0.000 0.875 44 R HN 0.480 nan 8.270 nan 0.000 0.445 45 S N -0.711 114.880 115.700 -0.181 0.000 2.404 45 S HA -0.042 4.429 4.470 0.001 0.000 0.223 45 S C 1.676 175.906 174.600 -0.616 0.000 1.040 45 S CA 0.383 58.463 58.200 -0.200 0.000 0.957 45 S CB -0.422 62.773 63.200 -0.010 0.000 0.826 45 S HN 0.422 nan 8.310 nan 0.000 0.491 46 H N 0.362 118.912 119.070 -0.866 0.000 2.456 46 H HA 0.089 4.645 4.556 0.001 0.000 0.296 46 H C 1.939 176.902 175.328 -0.609 0.000 1.079 46 H CA 1.012 56.363 56.048 -1.163 0.000 1.322 46 H CB -0.091 29.358 29.762 -0.520 0.000 1.388 46 H HN 0.316 nan 8.280 nan 0.000 0.538 47 I N 1.521 121.960 120.570 -0.218 0.000 2.567 47 I HA -0.229 3.941 4.170 0.001 0.000 0.257 47 I C 1.542 177.640 176.117 -0.031 0.000 1.184 47 I CA 1.465 62.712 61.300 -0.088 0.000 1.451 47 I CB -0.086 37.878 38.000 -0.061 0.000 1.089 47 I HN 0.220 nan 8.210 nan 0.000 0.441 48 Q N -0.719 119.048 119.800 -0.054 0.000 2.360 48 Q HA 0.099 4.440 4.340 0.001 0.000 0.202 48 Q C -0.316 175.879 176.000 0.325 0.000 0.915 48 Q CA -0.168 55.707 55.803 0.119 0.000 0.943 48 Q CB 0.114 28.926 28.738 0.123 0.000 1.064 48 Q HN 0.213 nan 8.270 nan 0.000 0.511 49 F N 1.421 121.407 119.950 0.060 0.000 2.443 49 F HA 0.227 4.755 4.527 0.001 0.000 0.353 49 F C 0.163 175.982 175.800 0.031 0.000 1.101 49 F CA -1.733 56.234 58.000 -0.056 0.000 1.226 49 F CB -0.167 38.761 39.000 -0.121 0.000 1.140 49 F HN -0.017 nan 8.300 nan 0.000 0.557 50 Y N -1.657 118.750 120.300 0.178 0.000 2.602 50 Y HA 0.530 5.081 4.550 0.001 0.000 0.342 50 Y C -0.688 175.240 175.900 0.045 0.000 1.029 50 Y CA -2.095 56.060 58.100 0.090 0.000 1.080 50 Y CB 0.479 38.976 38.460 0.062 0.000 1.284 50 Y HN 0.511 nan 8.280 nan 0.000 0.485 51 D N 0.732 121.250 120.400 0.197 0.000 2.434 51 D HA 0.379 5.019 4.640 0.001 0.000 0.252 51 D C 1.056 177.429 176.300 0.121 0.000 1.185 51 D CA 2.177 56.234 54.000 0.095 0.000 0.886 51 D CB 0.246 41.099 40.800 0.089 0.000 1.148 51 D HN 1.063 nan 8.370 nan 0.000 0.483 52 G N 3.609 112.412 108.800 0.004 0.000 2.175 52 G HA2 -0.282 3.678 3.960 0.001 0.000 0.244 52 G HA3 -0.282 3.678 3.960 0.001 0.000 0.244 52 G C 0.581 175.443 174.900 -0.063 0.000 0.982 52 G CA -0.101 45.005 45.100 0.011 0.000 0.641 52 G HN 0.684 nan 8.290 nan 0.000 0.527 53 I N 1.138 121.498 120.570 -0.350 0.000 2.821 53 I HA 0.284 4.454 4.170 0.001 0.000 0.294 53 I C 1.068 176.990 176.117 -0.325 0.000 1.210 53 I CA -0.133 60.785 61.300 -0.636 0.000 1.430 53 I CB 0.344 37.706 38.000 -1.062 0.000 1.356 53 I HN 0.236 nan 8.210 nan 0.000 0.563 54 K N 5.407 125.689 120.400 -0.197 0.000 2.440 54 K HA 0.019 4.339 4.320 0.001 0.000 0.270 54 K C 0.750 177.220 176.600 -0.218 0.000 0.980 54 K CA 0.635 56.833 56.287 -0.148 0.000 0.953 54 K CB 0.917 33.375 32.500 -0.069 0.000 0.925 54 K HN 0.715 nan 8.250 nan 0.000 0.497 55 T N 1.213 115.641 114.554 -0.209 0.000 2.777 55 T HA -0.150 4.200 4.350 0.001 0.000 0.266 55 T C 1.666 176.130 174.700 -0.393 0.000 1.040 55 T CA 1.803 63.727 62.100 -0.292 0.000 1.141 55 T CB -0.405 68.311 68.868 -0.254 0.000 0.868 55 T HN 0.788 nan 8.240 nan 0.000 0.444 56 S N 2.126 117.673 115.700 -0.256 0.000 2.383 56 S HA -0.196 4.274 4.470 0.001 0.000 0.229 56 S C 1.648 176.172 174.600 -0.126 0.000 1.030 56 S CA 1.310 59.423 58.200 -0.144 0.000 1.002 56 S CB -0.554 62.659 63.200 0.022 0.000 0.829 56 S HN 0.398 nan 8.310 nan 0.000 0.467 57 D N 1.693 122.027 120.400 -0.109 0.000 2.144 57 D HA 0.060 4.700 4.640 0.001 0.000 0.200 57 D C 1.970 178.227 176.300 -0.072 0.000 0.978 57 D CA 0.981 54.942 54.000 -0.064 0.000 0.833 57 D CB -0.345 40.427 40.800 -0.047 0.000 0.961 57 D HN 0.447 nan 8.370 nan 0.000 0.470 58 I N 0.715 121.169 120.570 -0.193 0.000 2.208 58 I HA -0.281 3.889 4.170 0.001 0.000 0.245 58 I C 2.357 178.536 176.117 0.103 0.000 1.097 58 I CA 1.194 62.357 61.300 -0.228 0.000 1.363 58 I CB -0.319 37.402 38.000 -0.464 0.000 1.051 58 I HN 0.145 nan 8.210 nan 0.000 0.413 59 H N 0.367 119.396 119.070 -0.068 0.000 2.290 59 H HA -0.186 4.370 4.556 0.001 0.000 0.298 59 H C 2.207 177.476 175.328 -0.098 0.000 1.087 59 H CA 1.467 57.481 56.048 -0.057 0.000 1.291 59 H CB 0.012 29.688 29.762 -0.143 0.000 1.369 59 H HN 0.397 nan 8.280 nan 0.000 0.492 60 E N 0.012 120.194 120.200 -0.031 0.000 2.077 60 E HA -0.125 4.225 4.350 0.001 0.000 0.193 60 E C 2.262 178.900 176.600 0.064 0.000 0.989 60 E CA 1.419 57.805 56.400 -0.023 0.000 0.800 60 E CB 0.006 29.685 29.700 -0.034 0.000 0.746 60 E HN 0.372 nan 8.360 nan 0.000 0.452 61 T N 2.282 116.906 114.554 0.116 0.000 2.684 61 T HA -0.169 4.181 4.350 0.001 0.000 0.267 61 T C 1.964 176.759 174.700 0.157 0.000 1.036 61 T CA 1.413 63.618 62.100 0.175 0.000 1.148 61 T CB -0.224 68.843 68.868 0.331 0.000 0.863 61 T HN 0.296 nan 8.240 nan 0.000 0.436 62 I N 0.184 120.870 120.570 0.193 0.000 2.439 62 I HA -0.020 4.151 4.170 0.001 0.000 0.251 62 I C 2.081 178.231 176.117 0.056 0.000 1.139 62 I CA 1.450 62.833 61.300 0.139 0.000 1.438 62 I CB -0.916 37.198 38.000 0.191 0.000 1.085 62 I HN 0.254 nan 8.210 nan 0.000 0.427 63 I N 1.907 122.510 120.570 0.055 0.000 2.142 63 I HA -0.306 3.864 4.170 0.001 0.000 0.240 63 I C 2.782 178.858 176.117 -0.067 0.000 1.078 63 I CA 1.879 63.193 61.300 0.025 0.000 1.343 63 I CB -0.437 37.625 38.000 0.104 0.000 1.046 63 I HN 0.229 nan 8.210 nan 0.000 0.405 64 K N 1.110 121.502 120.400 -0.014 0.000 2.147 64 K HA -0.180 4.141 4.320 0.001 0.000 0.205 64 K C 2.112 178.658 176.600 -0.090 0.000 1.049 64 K CA 1.416 57.678 56.287 -0.041 0.000 0.936 64 K CB -0.098 32.416 32.500 0.024 0.000 0.722 64 K HN 0.318 nan 8.250 nan 0.000 0.446 65 A N 0.892 123.675 122.820 -0.061 0.000 1.898 65 A HA -0.064 4.257 4.320 0.001 0.000 0.216 65 A C 2.331 179.826 177.584 -0.148 0.000 1.181 65 A CA 1.716 53.700 52.037 -0.088 0.000 0.620 65 A CB -0.833 18.136 19.000 -0.051 0.000 0.819 65 A HN 0.462 nan 8.150 nan 0.000 0.442 66 A N -0.050 122.697 122.820 -0.122 0.000 1.877 66 A HA 0.160 4.481 4.320 0.001 0.000 0.216 66 A C 2.516 179.957 177.584 -0.237 0.000 1.186 66 A CA 2.104 54.074 52.037 -0.111 0.000 0.620 66 A CB -1.074 17.917 19.000 -0.015 0.000 0.822 66 A HN 1.078 nan 8.150 nan 0.000 0.443 67 A N 0.016 122.620 122.820 -0.360 0.000 1.940 67 A HA -0.204 4.117 4.320 0.001 0.000 0.219 67 A C 1.679 179.099 177.584 -0.273 0.000 1.176 67 A CA 1.905 53.649 52.037 -0.487 0.000 0.631 67 A CB -0.599 17.950 19.000 -0.752 0.000 0.814 67 A HN 0.459 nan 8.150 nan 0.000 0.446 68 D N -0.308 119.957 120.400 -0.225 0.000 2.310 68 D HA -0.036 4.604 4.640 0.001 0.000 0.212 68 D C 1.405 177.558 176.300 -0.245 0.000 0.965 68 D CA 0.742 54.634 54.000 -0.181 0.000 0.879 68 D CB -0.129 40.587 40.800 -0.141 0.000 0.921 68 D HN 0.480 nan 8.370 nan 0.000 0.510 69 L N 0.418 121.401 121.223 -0.400 0.000 2.592 69 L HA 0.195 4.536 4.340 0.001 0.000 0.227 69 L C 0.614 177.203 176.870 -0.468 0.000 1.127 69 L CA -0.215 54.252 54.840 -0.621 0.000 0.884 69 L CB 0.181 41.472 42.059 -1.279 0.000 1.065 69 L HN -0.164 nan 8.230 nan 0.000 0.457 70 I N 0.795 121.233 120.570 -0.220 0.000 2.587 70 I HA -0.017 4.153 4.170 0.001 0.000 0.284 70 I C 0.667 176.750 176.117 -0.057 0.000 1.134 70 I CA 0.604 61.875 61.300 -0.048 0.000 1.410 70 I CB 0.308 38.286 38.000 -0.036 0.000 1.392 70 I HN 0.220 nan 8.210 nan 0.000 0.545 71 S N 5.605 121.292 115.700 -0.022 0.000 2.625 71 S HA 0.470 4.940 4.470 0.001 0.000 0.271 71 S C 0.629 175.162 174.600 -0.113 0.000 1.161 71 S CA -1.145 57.015 58.200 -0.066 0.000 0.820 71 S CB 1.638 64.803 63.200 -0.059 0.000 1.137 71 S HN 0.658 nan 8.310 nan 0.000 0.470 72 R N 0.912 121.273 120.500 -0.230 0.000 2.092 72 R HA -0.037 4.303 4.340 0.001 0.000 0.231 72 R C 0.699 176.847 176.300 -0.254 0.000 1.119 72 R CA 1.579 57.378 56.100 -0.502 0.000 0.970 72 R CB -0.987 28.803 30.300 -0.851 0.000 0.864 72 R HN 0.686 nan 8.270 nan 0.000 0.440 73 D N 1.670 122.006 120.400 -0.108 0.000 2.149 73 D HA -0.104 4.537 4.640 0.001 0.000 0.198 73 D C 0.457 176.778 176.300 0.034 0.000 0.990 73 D CA 1.530 55.523 54.000 -0.011 0.000 0.839 73 D CB 0.111 40.907 40.800 -0.006 0.000 0.948 73 D HN 0.381 nan 8.370 nan 0.000 0.460 74 A N 0.695 123.549 122.820 0.057 0.000 3.082 74 A HA 0.407 4.728 4.320 0.001 0.000 0.328 74 A C -2.063 175.598 177.584 0.127 0.000 1.089 74 A CA -1.018 51.089 52.037 0.117 0.000 0.802 74 A CB 1.276 20.426 19.000 0.250 0.000 1.138 74 A HN -0.170 nan 8.150 nan 0.000 0.474 75 P HA -0.088 nan 4.420 nan 0.000 0.219 75 P C 0.538 177.899 177.300 0.102 0.000 1.150 75 P CA 1.101 64.247 63.100 0.076 0.000 0.814 75 P CB 0.320 32.084 31.700 0.107 0.000 0.787 76 D N -1.911 118.538 120.400 0.082 0.000 2.351 76 D HA -0.147 4.493 4.640 0.001 0.000 0.216 76 D C 1.453 177.738 176.300 -0.026 0.000 0.968 76 D CA 0.851 54.895 54.000 0.073 0.000 0.899 76 D CB -0.756 40.030 40.800 -0.024 0.000 0.907 76 D HN 0.232 nan 8.370 nan 0.000 0.514 77 Y N 1.071 121.368 120.300 -0.004 0.000 2.315 77 Y HA -0.167 4.384 4.550 0.001 0.000 0.288 77 Y C 2.420 178.262 175.900 -0.096 0.000 1.154 77 Y CA 0.923 58.988 58.100 -0.058 0.000 1.229 77 Y CB -0.332 38.077 38.460 -0.084 0.000 0.980 77 Y HN 0.066 nan 8.280 nan 0.000 0.540 78 Q N -1.267 118.548 119.800 0.024 0.000 2.133 78 Q HA -0.267 4.073 4.340 0.001 0.000 0.208 78 Q C 1.567 177.414 176.000 -0.256 0.000 0.991 78 Q CA 2.131 57.844 55.803 -0.149 0.000 0.867 78 Q CB -0.306 28.236 28.738 -0.326 0.000 0.911 78 Q HN 0.595 nan 8.270 nan 0.000 0.417 79 Y N -1.006 119.323 120.300 0.049 0.000 2.397 79 Y HA -0.083 4.467 4.550 0.001 0.000 0.292 79 Y C 1.845 177.737 175.900 -0.012 0.000 1.115 79 Y CA 0.247 58.364 58.100 0.028 0.000 1.208 79 Y CB -0.172 38.279 38.460 -0.015 0.000 1.046 79 Y HN 0.093 nan 8.280 nan 0.000 0.552 80 L N 0.375 121.635 121.223 0.060 0.000 2.012 80 L HA -0.204 4.136 4.340 0.001 0.000 0.210 80 L C 2.381 179.267 176.870 0.026 0.000 1.073 80 L CA 2.168 57.005 54.840 -0.005 0.000 0.748 80 L CB -0.897 41.144 42.059 -0.030 0.000 0.891 80 L HN 0.156 nan 8.230 nan 0.000 0.431 81 A N -0.891 121.933 122.820 0.008 0.000 1.930 81 A HA -0.037 4.284 4.320 0.001 0.000 0.217 81 A C 2.422 180.121 177.584 0.191 0.000 1.175 81 A CA 1.571 53.578 52.037 -0.049 0.000 0.627 81 A CB -1.081 17.624 19.000 -0.492 0.000 0.815 81 A HN 0.565 nan 8.150 nan 0.000 0.443 82 A N 0.138 123.116 122.820 0.263 0.000 1.858 82 A HA -0.187 4.133 4.320 0.001 0.000 0.216 82 A C 2.245 180.014 177.584 0.309 0.000 1.190 82 A CA 1.612 53.849 52.037 0.334 0.000 0.617 82 A CB -0.515 18.653 19.000 0.280 0.000 0.827 82 A HN 0.545 nan 8.150 nan 0.000 0.443 83 R N -0.635 120.006 120.500 0.234 0.000 2.091 83 R HA -0.086 4.254 4.340 0.001 0.000 0.238 83 R C 2.102 178.641 176.300 0.398 0.000 1.136 83 R CA 1.547 57.777 56.100 0.216 0.000 0.959 83 R CB -0.585 29.620 30.300 -0.158 0.000 0.856 83 R HN 0.514 nan 8.270 nan 0.000 0.437 84 L N 0.110 121.504 121.223 0.284 0.000 2.017 84 L HA -0.160 4.180 4.340 0.001 0.000 0.208 84 L C 2.721 179.823 176.870 0.386 0.000 1.073 84 L CA 1.339 56.363 54.840 0.308 0.000 0.745 84 L CB -0.585 41.561 42.059 0.145 0.000 0.894 84 L HN 0.242 nan 8.230 nan 0.000 0.432 85 A N 0.059 123.091 122.820 0.352 0.000 1.902 85 A HA -0.191 4.130 4.320 0.001 0.000 0.217 85 A C 2.220 180.014 177.584 0.350 0.000 1.181 85 A CA 1.445 53.698 52.037 0.360 0.000 0.623 85 A CB -0.541 18.665 19.000 0.344 0.000 0.818 85 A HN 0.273 nan 8.150 nan 0.000 0.443 86 I N -1.421 119.372 120.570 0.371 0.000 2.179 86 I HA -0.208 3.963 4.170 0.001 0.000 0.242 86 I C 2.334 178.688 176.117 0.394 0.000 1.088 86 I CA 1.381 62.891 61.300 0.349 0.000 1.357 86 I CB -1.423 36.836 38.000 0.433 0.000 1.051 86 I HN 0.485 nan 8.210 nan 0.000 0.409 87 F N 1.647 121.864 119.950 0.446 0.000 2.091 87 F HA -0.341 4.186 4.527 0.001 0.000 0.299 87 F C 2.885 178.840 175.800 0.258 0.000 1.103 87 F CA 2.469 60.724 58.000 0.427 0.000 1.228 87 F CB -0.583 38.618 39.000 0.334 0.000 0.984 87 F HN 0.222 nan 8.300 nan 0.000 0.477 88 H N 0.049 119.299 119.070 0.300 0.000 2.387 88 H HA -0.096 4.461 4.556 0.001 0.000 0.299 88 H C 1.981 177.346 175.328 0.062 0.000 1.090 88 H CA 2.258 58.429 56.048 0.206 0.000 1.332 88 H CB -0.433 29.506 29.762 0.294 0.000 1.386 88 H HN 0.397 nan 8.280 nan 0.000 0.516 89 L N -0.365 120.797 121.223 -0.102 0.000 2.201 89 L HA -0.099 4.242 4.340 0.001 0.000 0.212 89 L C 2.649 179.320 176.870 -0.331 0.000 1.105 89 L CA 0.623 55.317 54.840 -0.242 0.000 0.775 89 L CB -0.264 41.728 42.059 -0.113 0.000 0.913 89 L HN 0.237 nan 8.230 nan 0.000 0.440 90 R N 0.701 121.035 120.500 -0.276 0.000 2.070 90 R HA -0.141 4.200 4.340 0.001 0.000 0.232 90 R C 2.205 178.304 176.300 -0.334 0.000 1.138 90 R CA 1.342 57.235 56.100 -0.345 0.000 0.936 90 R CB -0.563 29.550 30.300 -0.312 0.000 0.839 90 R HN 0.358 nan 8.270 nan 0.000 0.429 91 K N 0.835 121.060 120.400 -0.292 0.000 2.044 91 K HA -0.195 4.125 4.320 0.001 0.000 0.210 91 K C 2.153 178.625 176.600 -0.213 0.000 1.049 91 K CA 1.528 57.689 56.287 -0.211 0.000 0.927 91 K CB -0.194 32.209 32.500 -0.162 0.000 0.713 91 K HN 0.084 nan 8.250 nan 0.000 0.443 92 K N 0.198 120.411 120.400 -0.312 0.000 2.211 92 K HA -0.147 4.174 4.320 0.001 0.000 0.204 92 K C 1.790 178.218 176.600 -0.286 0.000 1.047 92 K CA 1.300 57.402 56.287 -0.308 0.000 0.935 92 K CB 0.050 32.295 32.500 -0.426 0.000 0.728 92 K HN 0.186 nan 8.250 nan 0.000 0.452 93 A N -0.791 121.784 122.820 -0.409 0.000 1.993 93 A HA 0.063 4.383 4.320 0.001 0.000 0.207 93 A C 0.906 178.320 177.584 -0.283 0.000 1.224 93 A CA 0.327 52.074 52.037 -0.482 0.000 0.749 93 A CB 0.036 18.486 19.000 -0.917 0.000 0.884 93 A HN 0.321 nan 8.150 nan 0.000 0.467 94 Y N -1.335 118.926 120.300 -0.065 0.000 2.453 94 Y HA 0.397 4.948 4.550 0.001 0.000 0.247 94 Y C 1.833 177.701 175.900 -0.053 0.000 1.124 94 Y CA -0.494 57.575 58.100 -0.051 0.000 1.243 94 Y CB -0.107 38.292 38.460 -0.102 0.000 1.213 94 Y HN 0.392 nan 8.280 nan 0.000 0.523 95 G N 0.820 109.643 108.800 0.039 0.000 2.220 95 G HA2 -0.292 3.669 3.960 0.001 0.000 0.269 95 G HA3 -0.292 3.669 3.960 0.001 0.000 0.269 95 G C 0.143 175.047 174.900 0.006 0.000 0.977 95 G CA 0.878 45.984 45.100 0.011 0.000 0.634 95 G HN 0.501 nan 8.290 nan 0.000 0.539 96 Q N -2.596 117.216 119.800 0.021 0.000 2.648 96 Q HA 0.728 5.068 4.340 0.001 0.000 0.300 96 Q C 0.492 176.493 176.000 0.003 0.000 0.954 96 Q CA -0.780 55.028 55.803 0.009 0.000 0.757 96 Q CB 0.329 29.083 28.738 0.026 0.000 1.482 96 Q HN 0.302 nan 8.270 nan 0.000 0.437 97 F N 0.987 120.837 119.950 -0.168 0.000 2.053 97 F HA 0.073 4.600 4.527 0.001 0.000 0.292 97 F C 0.657 176.387 175.800 -0.116 0.000 1.125 97 F CA 1.321 59.200 58.000 -0.201 0.000 1.193 97 F CB 0.354 39.221 39.000 -0.222 0.000 0.996 97 F HN 0.523 nan 8.300 nan 0.000 0.470 98 E N 2.423 122.580 120.200 -0.072 0.000 2.366 98 E HA 0.121 4.471 4.350 0.001 0.000 0.266 98 E C -2.200 174.195 176.600 -0.341 0.000 1.015 98 E CA -1.991 54.276 56.400 -0.222 0.000 0.906 98 E CB 0.238 29.910 29.700 -0.047 0.000 0.979 98 E HN 0.114 nan 8.360 nan 0.000 0.443 99 P HA 0.071 nan 4.420 nan 0.000 0.270 99 P C -2.242 174.760 177.300 -0.497 0.000 1.223 99 P CA -0.815 61.695 63.100 -0.984 0.000 0.785 99 P CB -0.130 30.726 31.700 -1.407 0.000 0.923 100 P HA 0.108 nan 4.420 nan 0.000 0.274 100 P C -0.665 176.663 177.300 0.046 0.000 1.260 100 P CA -0.266 62.761 63.100 -0.121 0.000 0.793 100 P CB 0.231 31.883 31.700 -0.080 0.000 1.048 101 A N 0.476 123.324 122.820 0.047 0.000 2.498 101 A HA 0.006 4.326 4.320 0.001 0.000 0.239 101 A C 1.408 179.021 177.584 0.048 0.000 1.068 101 A CA -0.322 51.765 52.037 0.082 0.000 0.766 101 A CB -0.661 18.378 19.000 0.066 0.000 1.003 101 A HN 0.635 nan 8.150 nan 0.000 0.497 102 L N 2.480 123.733 121.223 0.049 0.000 2.013 102 L HA -0.205 4.136 4.340 0.001 0.000 0.212 102 L C 2.039 178.784 176.870 -0.208 0.000 1.073 102 L CA 2.631 57.383 54.840 -0.147 0.000 0.753 102 L CB -1.071 40.982 42.059 -0.011 0.000 0.890 102 L HN 0.870 nan 8.230 nan 0.000 0.432 103 Y N 0.499 120.672 120.300 -0.212 0.000 2.128 103 Y HA -0.284 4.267 4.550 0.001 0.000 0.284 103 Y C 2.378 178.105 175.900 -0.288 0.000 1.154 103 Y CA 2.208 60.107 58.100 -0.335 0.000 1.149 103 Y CB -0.461 37.922 38.460 -0.129 0.000 0.976 103 Y HN 0.346 nan 8.280 nan 0.000 0.505 104 D N -1.294 119.013 120.400 -0.155 0.000 2.117 104 D HA -0.228 4.412 4.640 0.001 0.000 0.197 104 D C 2.010 178.167 176.300 -0.238 0.000 0.987 104 D CA 1.895 55.781 54.000 -0.190 0.000 0.829 104 D CB -0.572 40.206 40.800 -0.038 0.000 0.961 104 D HN 0.521 nan 8.370 nan 0.000 0.460 105 H N 0.927 119.812 119.070 -0.308 0.000 2.290 105 H HA -0.104 4.453 4.556 0.001 0.000 0.298 105 H C 2.031 177.142 175.328 -0.362 0.000 1.087 105 H CA 1.758 57.611 56.048 -0.324 0.000 1.291 105 H CB -0.336 29.128 29.762 -0.496 0.000 1.369 105 H HN -0.099 nan 8.280 nan 0.000 0.492 106 V N -0.316 119.282 119.914 -0.527 0.000 2.295 106 V HA -0.234 3.886 4.120 0.001 0.000 0.246 106 V C 2.710 178.508 176.094 -0.494 0.000 1.049 106 V CA 1.502 63.511 62.300 -0.484 0.000 1.024 106 V CB -0.696 30.741 31.823 -0.644 0.000 0.648 106 V HN 0.338 nan 8.190 nan 0.000 0.447 107 V N 0.230 119.766 119.914 -0.630 0.000 2.282 107 V HA -0.353 3.768 4.120 0.001 0.000 0.249 107 V C 2.475 178.354 176.094 -0.358 0.000 1.057 107 V CA 2.594 64.586 62.300 -0.513 0.000 1.032 107 V CB -0.724 30.727 31.823 -0.621 0.000 0.645 107 V HN 0.597 nan 8.190 nan 0.000 0.447 108 K N -0.706 119.480 120.400 -0.358 0.000 2.057 108 K HA -0.200 4.121 4.320 0.001 0.000 0.207 108 K C 2.202 178.580 176.600 -0.371 0.000 1.049 108 K CA 1.664 57.771 56.287 -0.300 0.000 0.931 108 K CB -0.144 32.209 32.500 -0.244 0.000 0.714 108 K HN 0.254 nan 8.250 nan 0.000 0.440 109 M N 0.710 119.991 119.600 -0.532 0.000 2.229 109 M HA -0.107 4.373 4.480 0.001 0.000 0.264 109 M C 2.210 178.258 176.300 -0.420 0.000 1.063 109 M CA 0.949 55.837 55.300 -0.687 0.000 1.114 109 M CB -0.479 31.285 32.600 -1.394 0.000 1.387 109 M HN 0.027 nan 8.290 nan 0.000 0.420 110 V N 0.158 119.912 119.914 -0.267 0.000 2.379 110 V HA -0.217 3.903 4.120 0.001 0.000 0.245 110 V C 2.151 178.165 176.094 -0.135 0.000 1.044 110 V CA 1.501 63.723 62.300 -0.130 0.000 1.036 110 V CB -0.691 31.080 31.823 -0.087 0.000 0.664 110 V HN 0.456 nan 8.190 nan 0.000 0.453 111 E N -0.141 119.959 120.200 -0.167 0.000 2.097 111 E HA -0.253 4.097 4.350 0.001 0.000 0.196 111 E C 2.113 178.626 176.600 -0.145 0.000 1.000 111 E CA 1.581 57.898 56.400 -0.138 0.000 0.804 111 E CB -0.227 29.388 29.700 -0.143 0.000 0.740 111 E HN 0.521 nan 8.360 nan 0.000 0.454 112 M N -0.842 118.635 119.600 -0.206 0.000 2.630 112 M HA 0.035 4.515 4.480 0.001 0.000 0.254 112 M C 1.215 177.403 176.300 -0.187 0.000 1.092 112 M CA 0.822 55.986 55.300 -0.227 0.000 1.087 112 M CB 0.371 32.754 32.600 -0.361 0.000 1.453 112 M HN 0.322 nan 8.290 nan 0.000 0.509 113 G N 0.656 109.369 108.800 -0.145 0.000 2.153 113 G HA2 -0.248 3.712 3.960 0.001 0.000 0.252 113 G HA3 -0.248 3.712 3.960 0.001 0.000 0.252 113 G C 0.962 175.817 174.900 -0.074 0.000 0.994 113 G CA 0.314 45.364 45.100 -0.083 0.000 0.698 113 G HN 0.299 nan 8.290 nan 0.000 0.521 114 K N -1.213 119.097 120.400 -0.149 0.000 2.284 114 K HA 0.224 4.544 4.320 0.001 0.000 0.198 114 K C 0.547 177.200 176.600 0.089 0.000 1.048 114 K CA 0.559 56.775 56.287 -0.119 0.000 0.987 114 K CB 0.123 32.419 32.500 -0.339 0.000 0.800 114 K HN 0.433 nan 8.250 nan 0.000 0.486 115 Y N 0.923 121.178 120.300 -0.075 0.000 2.534 115 Y HA 0.224 4.774 4.550 0.001 0.000 0.329 115 Y C 0.364 176.272 175.900 0.014 0.000 1.154 115 Y CA -2.420 55.664 58.100 -0.027 0.000 1.192 115 Y CB 0.516 38.923 38.460 -0.089 0.000 1.275 115 Y HN -0.088 nan 8.280 nan 0.000 0.491 116 D N 1.269 121.817 120.400 0.247 0.000 2.348 116 D HA -0.023 4.618 4.640 0.001 0.000 0.253 116 D C 0.637 177.055 176.300 0.197 0.000 1.161 116 D CA 0.033 54.178 54.000 0.243 0.000 0.876 116 D CB 0.707 41.761 40.800 0.422 0.000 1.160 116 D HN 0.662 nan 8.370 nan 0.000 0.459 117 N N 2.927 121.722 118.700 0.157 0.000 2.348 117 N HA -0.301 4.439 4.740 0.001 0.000 0.185 117 N C 1.556 177.160 175.510 0.157 0.000 1.019 117 N CA 1.846 54.967 53.050 0.119 0.000 0.880 117 N CB -0.828 37.709 38.487 0.084 0.000 0.965 117 N HN 0.697 nan 8.380 nan 0.000 0.437 118 H N -0.247 118.894 119.070 0.119 0.000 2.457 118 H HA 0.043 4.599 4.556 0.001 0.000 0.297 118 H C 1.755 177.200 175.328 0.195 0.000 1.092 118 H CA 0.980 57.111 56.048 0.139 0.000 1.309 118 H CB -0.411 29.436 29.762 0.141 0.000 1.382 118 H HN 0.190 nan 8.280 nan 0.000 0.535 119 L N 0.103 121.164 121.223 -0.270 0.000 2.079 119 L HA -0.161 4.180 4.340 0.001 0.000 0.210 119 L C 2.452 179.528 176.870 0.343 0.000 1.081 119 L CA 1.153 55.985 54.840 -0.012 0.000 0.752 119 L CB -0.283 41.801 42.059 0.043 0.000 0.896 119 L HN 0.372 nan 8.230 nan 0.000 0.433 120 L N -0.975 120.395 121.223 0.245 0.000 2.156 120 L HA -0.152 4.188 4.340 0.001 0.000 0.208 120 L C 2.470 179.487 176.870 0.244 0.000 1.095 120 L CA 0.983 56.005 54.840 0.303 0.000 0.770 120 L CB -0.390 41.756 42.059 0.147 0.000 0.914 120 L HN 0.279 nan 8.230 nan 0.000 0.439 121 E N 0.007 120.305 120.200 0.164 0.000 2.106 121 E HA -0.196 4.154 4.350 0.001 0.000 0.192 121 E C 1.350 177.993 176.600 0.071 0.000 0.984 121 E CA 1.179 57.649 56.400 0.117 0.000 0.806 121 E CB -0.000 29.770 29.700 0.117 0.000 0.750 121 E HN 0.461 nan 8.360 nan 0.000 0.458 122 D N -0.938 119.491 120.400 0.048 0.000 2.305 122 D HA 0.016 4.656 4.640 0.001 0.000 0.206 122 D C -0.183 175.875 176.300 -0.402 0.000 0.974 122 D CA 0.822 54.734 54.000 -0.147 0.000 0.871 122 D CB 0.252 40.955 40.800 -0.161 0.000 0.947 122 D HN 0.102 nan 8.370 nan 0.000 0.516 123 Y N -0.380 119.871 120.300 -0.082 0.000 2.536 123 Y HA 0.320 4.870 4.550 0.001 0.000 0.347 123 Y C 0.713 176.556 175.900 -0.097 0.000 1.000 123 Y CA -1.211 56.735 58.100 -0.257 0.000 1.051 123 Y CB 1.603 39.574 38.460 -0.815 0.000 1.259 123 Y HN -0.327 nan 8.280 nan 0.000 0.468 124 T N -2.684 111.898 114.554 0.046 0.000 2.918 124 T HA 0.186 4.536 4.350 0.001 0.000 0.283 124 T C 1.029 175.807 174.700 0.130 0.000 1.001 124 T CA -0.543 61.609 62.100 0.087 0.000 1.041 124 T CB 1.560 70.436 68.868 0.014 0.000 1.028 124 T HN 0.885 nan 8.240 nan 0.000 0.511 125 E N 0.879 121.107 120.200 0.046 0.000 2.114 125 E HA -0.313 4.037 4.350 0.001 0.000 0.199 125 E C 1.537 178.056 176.600 -0.137 0.000 1.008 125 E CA 2.133 58.354 56.400 -0.298 0.000 0.810 125 E CB -0.201 29.041 29.700 -0.764 0.000 0.739 125 E HN 0.844 nan 8.360 nan 0.000 0.456 126 E N 0.544 120.683 120.200 -0.101 0.000 2.150 126 E HA -0.156 4.195 4.350 0.001 0.000 0.193 126 E C 1.959 178.519 176.600 -0.067 0.000 0.985 126 E CA 1.380 57.732 56.400 -0.079 0.000 0.814 126 E CB -0.059 29.602 29.700 -0.064 0.000 0.752 126 E HN 0.426 nan 8.360 nan 0.000 0.466 127 E N -0.187 119.974 120.200 -0.065 0.000 2.072 127 E HA -0.118 4.232 4.350 0.001 0.000 0.191 127 E C 1.578 178.058 176.600 -0.201 0.000 0.985 127 E CA 0.701 57.034 56.400 -0.111 0.000 0.801 127 E CB -0.148 29.524 29.700 -0.045 0.000 0.750 127 E HN 0.199 nan 8.360 nan 0.000 0.452 128 F N 1.761 121.680 119.950 -0.052 0.000 2.126 128 F HA -0.186 4.342 4.527 0.001 0.000 0.299 128 F C 2.205 177.932 175.800 -0.120 0.000 1.096 128 F CA 1.143 59.097 58.000 -0.075 0.000 1.255 128 F CB -0.227 38.831 39.000 0.097 0.000 0.997 128 F HN -0.122 nan 8.300 nan 0.000 0.479 129 K N -0.097 120.337 120.400 0.056 0.000 2.057 129 K HA -0.240 4.081 4.320 0.001 0.000 0.207 129 K C 2.118 178.625 176.600 -0.154 0.000 1.049 129 K CA 1.486 57.749 56.287 -0.039 0.000 0.931 129 K CB -0.506 31.959 32.500 -0.058 0.000 0.714 129 K HN 0.399 nan 8.250 nan 0.000 0.440 130 Q N 0.491 120.158 119.800 -0.221 0.000 2.046 130 Q HA -0.056 4.284 4.340 0.001 0.000 0.200 130 Q C 2.222 177.699 176.000 -0.872 0.000 0.975 130 Q CA 1.128 56.692 55.803 -0.399 0.000 0.836 130 Q CB 0.064 28.637 28.738 -0.275 0.000 0.896 130 Q HN 0.272 nan 8.270 nan 0.000 0.428 131 M N 0.378 119.539 119.600 -0.732 0.000 2.144 131 M HA -0.217 4.263 4.480 0.001 0.000 0.260 131 M C 1.560 177.532 176.300 -0.547 0.000 1.067 131 M CA 1.406 56.240 55.300 -0.777 0.000 1.095 131 M CB -0.255 32.168 32.600 -0.295 0.000 1.365 131 M HN 0.140 nan 8.290 nan 0.000 0.406 132 D N -0.158 120.064 120.400 -0.298 0.000 2.263 132 D HA -0.122 4.518 4.640 0.001 0.000 0.208 132 D C 1.888 178.079 176.300 -0.182 0.000 0.971 132 D CA 1.689 55.601 54.000 -0.148 0.000 0.867 132 D CB 0.029 40.812 40.800 -0.027 0.000 0.929 132 D HN 0.453 nan 8.370 nan 0.000 0.492 133 T N -2.753 111.621 114.554 -0.301 0.000 3.067 133 T HA -0.052 4.298 4.350 0.001 0.000 0.261 133 T C 1.732 176.408 174.700 -0.041 0.000 1.110 133 T CA 0.246 62.241 62.100 -0.175 0.000 1.113 133 T CB -0.439 68.328 68.868 -0.169 0.000 0.917 133 T HN -0.059 nan 8.240 nan 0.000 0.499 134 F N 1.790 121.673 119.950 -0.112 0.000 2.234 134 F HA 0.425 4.952 4.527 0.001 0.000 0.296 134 F C 1.311 177.003 175.800 -0.179 0.000 1.089 134 F CA -1.587 56.336 58.000 -0.128 0.000 1.343 134 F CB -0.937 37.949 39.000 -0.189 0.000 1.040 134 F HN 0.160 nan 8.300 nan 0.000 0.498 135 I N 1.802 122.269 120.570 -0.172 0.000 2.752 135 I HA -0.087 4.084 4.170 0.001 0.000 0.289 135 I C -0.044 176.019 176.117 -0.089 0.000 1.197 135 I CA 0.461 61.590 61.300 -0.285 0.000 1.432 135 I CB 0.084 37.848 38.000 -0.392 0.000 1.359 135 I HN -0.039 nan 8.210 nan 0.000 0.571 136 D N 5.814 126.249 120.400 0.059 0.000 2.446 136 D HA 0.162 4.802 4.640 0.001 0.000 0.251 136 D C 0.873 177.196 176.300 0.038 0.000 1.137 136 D CA -0.372 53.653 54.000 0.042 0.000 0.890 136 D CB 0.568 41.420 40.800 0.088 0.000 1.071 136 D HN 0.374 nan 8.370 nan 0.000 0.528 137 H N 1.893 121.009 119.070 0.077 0.000 2.491 137 H HA -0.053 4.504 4.556 0.001 0.000 0.290 137 H C 0.409 175.795 175.328 0.097 0.000 1.050 137 H CA 0.829 56.899 56.048 0.036 0.000 1.309 137 H CB 0.419 30.133 29.762 -0.080 0.000 1.392 137 H HN 0.474 nan 8.280 nan 0.000 0.554 138 D N 0.215 120.751 120.400 0.226 0.000 2.371 138 D HA -0.051 4.590 4.640 0.001 0.000 0.221 138 D C 1.910 178.300 176.300 0.149 0.000 0.986 138 D CA 0.245 54.380 54.000 0.224 0.000 0.899 138 D CB -0.042 40.873 40.800 0.192 0.000 0.902 138 D HN 0.361 nan 8.370 nan 0.000 0.530 139 R N 0.452 121.010 120.500 0.097 0.000 2.280 139 R HA -0.053 4.288 4.340 0.001 0.000 0.207 139 R C 0.813 177.116 176.300 0.004 0.000 1.043 139 R CA 0.532 56.618 56.100 -0.024 0.000 1.006 139 R CB -0.001 30.221 30.300 -0.131 0.000 0.885 139 R HN 0.130 nan 8.270 nan 0.000 0.467 140 D N 0.777 121.312 120.400 0.226 0.000 2.218 140 D HA -0.125 4.515 4.640 0.001 0.000 0.204 140 D C 1.325 177.877 176.300 0.420 0.000 0.976 140 D CA 1.106 55.373 54.000 0.445 0.000 0.853 140 D CB 0.058 41.109 40.800 0.420 0.000 0.939 140 D HN 0.024 nan 8.370 nan 0.000 0.481 141 M N -0.232 119.533 119.600 0.274 0.000 2.659 141 M HA -0.004 4.476 4.480 0.001 0.000 0.243 141 M C 1.597 177.986 176.300 0.149 0.000 1.111 141 M CA 0.732 56.158 55.300 0.211 0.000 1.070 141 M CB -0.582 32.098 32.600 0.134 0.000 1.525 141 M HN 0.017 nan 8.290 nan 0.000 0.517 142 T N -3.582 111.029 114.554 0.095 0.000 3.040 142 T HA 0.209 4.559 4.350 0.001 0.000 0.250 142 T C 0.402 175.272 174.700 0.284 0.000 1.058 142 T CA -0.335 61.814 62.100 0.082 0.000 0.988 142 T CB -0.337 68.525 68.868 -0.010 0.000 0.993 142 T HN -0.018 nan 8.240 nan 0.000 0.519 143 F N 3.870 124.085 119.950 0.442 0.000 2.471 143 F HA 0.455 4.983 4.527 0.001 0.000 0.353 143 F C 1.383 177.355 175.800 0.287 0.000 1.113 143 F CA -0.915 57.294 58.000 0.347 0.000 1.262 143 F CB 0.632 39.786 39.000 0.256 0.000 1.146 143 F HN 0.169 nan 8.300 nan 0.000 0.578 144 S N 2.619 118.456 115.700 0.230 0.000 2.669 144 S HA 0.139 4.610 4.470 0.001 0.000 0.270 144 S C 0.831 175.425 174.600 -0.009 0.000 1.225 144 S CA -0.584 57.470 58.200 -0.243 0.000 0.991 144 S CB 0.477 63.435 63.200 -0.404 0.000 0.987 144 S HN 0.646 nan 8.310 nan 0.000 0.552 145 Y N 1.700 121.902 120.300 -0.163 0.000 2.128 145 Y HA -0.102 4.449 4.550 0.001 0.000 0.284 145 Y C 2.606 178.469 175.900 -0.062 0.000 1.154 145 Y CA 2.093 60.152 58.100 -0.069 0.000 1.149 145 Y CB -1.190 37.232 38.460 -0.064 0.000 0.976 145 Y HN 0.841 nan 8.280 nan 0.000 0.505 146 A N 0.466 123.203 122.820 -0.138 0.000 1.908 146 A HA -0.188 4.132 4.320 0.001 0.000 0.218 146 A C 2.475 179.931 177.584 -0.214 0.000 1.181 146 A CA 2.215 54.132 52.037 -0.201 0.000 0.627 146 A CB -1.583 17.361 19.000 -0.093 0.000 0.818 146 A HN 0.633 nan 8.150 nan 0.000 0.445 147 A N -0.492 122.240 122.820 -0.147 0.000 1.873 147 A HA -0.091 4.229 4.320 0.001 0.000 0.218 147 A C 2.240 179.652 177.584 -0.286 0.000 1.193 147 A CA 2.095 54.041 52.037 -0.151 0.000 0.629 147 A CB -1.160 17.872 19.000 0.053 0.000 0.826 147 A HN 0.510 nan 8.150 nan 0.000 0.447 148 V N -0.164 119.596 119.914 -0.257 0.000 2.392 148 V HA -0.256 3.864 4.120 0.001 0.000 0.249 148 V C 2.529 178.448 176.094 -0.291 0.000 1.059 148 V CA 2.452 64.582 62.300 -0.284 0.000 1.051 148 V CB -0.697 31.058 31.823 -0.114 0.000 0.658 148 V HN 0.465 nan 8.190 nan 0.000 0.455 149 K N -0.163 120.018 120.400 -0.366 0.000 2.097 149 K HA -0.134 4.186 4.320 0.001 0.000 0.206 149 K C 2.303 178.758 176.600 -0.241 0.000 1.049 149 K CA 1.187 57.279 56.287 -0.325 0.000 0.933 149 K CB -0.330 31.915 32.500 -0.425 0.000 0.717 149 K HN 0.420 nan 8.250 nan 0.000 0.442 150 Q N 0.015 119.652 119.800 -0.272 0.000 2.079 150 Q HA -0.067 4.274 4.340 0.001 0.000 0.200 150 Q C 2.233 178.021 176.000 -0.352 0.000 0.974 150 Q CA 1.175 56.801 55.803 -0.294 0.000 0.840 150 Q CB -0.232 28.296 28.738 -0.349 0.000 0.898 150 Q HN 0.319 nan 8.270 nan 0.000 0.430 151 L N 0.720 121.711 121.223 -0.387 0.000 2.017 151 L HA -0.202 4.138 4.340 0.001 0.000 0.208 151 L C 2.572 179.374 176.870 -0.114 0.000 1.073 151 L CA 1.446 56.118 54.840 -0.280 0.000 0.745 151 L CB -0.473 41.383 42.059 -0.339 0.000 0.894 151 L HN 0.291 nan 8.230 nan 0.000 0.432 152 E N 0.035 120.153 120.200 -0.137 0.000 2.110 152 E HA -0.199 4.152 4.350 0.001 0.000 0.193 152 E C 2.082 178.653 176.600 -0.049 0.000 0.988 152 E CA 1.281 57.632 56.400 -0.082 0.000 0.804 152 E CB -0.090 29.559 29.700 -0.085 0.000 0.745 152 E HN 0.494 nan 8.360 nan 0.000 0.458 153 G N -0.173 108.591 108.800 -0.060 0.000 2.539 153 G HA2 -0.079 3.882 3.960 0.001 0.000 0.215 153 G HA3 -0.079 3.882 3.960 0.001 0.000 0.215 153 G C 1.400 176.315 174.900 0.024 0.000 1.141 153 G CA 0.289 45.375 45.100 -0.025 0.000 0.806 153 G HN 0.105 nan 8.290 nan 0.000 0.533 154 K N -1.708 118.726 120.400 0.056 0.000 2.443 154 K HA 0.274 4.594 4.320 0.001 0.000 0.200 154 K C 1.620 178.421 176.600 0.334 0.000 1.278 154 K CA -0.152 56.243 56.287 0.180 0.000 0.925 154 K CB 0.333 32.957 32.500 0.206 0.000 1.225 154 K HN 0.139 nan 8.250 nan 0.000 0.514 155 Y N 1.287 121.590 120.300 0.005 0.000 2.284 155 Y HA 0.232 4.782 4.550 0.001 0.000 0.293 155 Y C 0.777 176.698 175.900 0.036 0.000 1.140 155 Y CA -0.256 57.855 58.100 0.018 0.000 1.153 155 Y CB -0.091 38.356 38.460 -0.022 0.000 1.114 155 Y HN -0.182 nan 8.280 nan 0.000 0.521 156 L N 1.253 122.589 121.223 0.187 0.000 2.455 156 L HA 0.081 4.422 4.340 0.001 0.000 0.272 156 L C -0.061 176.895 176.870 0.143 0.000 1.174 156 L CA -0.405 54.518 54.840 0.138 0.000 0.869 156 L CB 0.271 42.369 42.059 0.064 0.000 1.130 156 L HN -0.215 nan 8.230 nan 0.000 0.474 157 V N 4.261 124.301 119.914 0.210 0.000 2.694 157 V HA 0.031 4.151 4.120 0.001 0.000 0.306 157 V C 0.325 176.547 176.094 0.214 0.000 1.054 157 V CA 0.239 62.686 62.300 0.244 0.000 1.161 157 V CB 0.550 32.575 31.823 0.336 0.000 0.916 157 V HN 0.972 nan 8.190 nan 0.000 0.490 158 Q N 3.256 123.167 119.800 0.186 0.000 2.702 158 Q HA 0.372 4.713 4.340 0.001 0.000 0.289 158 Q C -1.220 174.810 176.000 0.051 0.000 0.923 158 Q CA -0.943 54.827 55.803 -0.055 0.000 0.787 158 Q CB 1.557 30.238 28.738 -0.095 0.000 1.476 158 Q HN 0.522 nan 8.270 nan 0.000 0.402 159 N N 0.682 119.325 118.700 -0.095 0.000 2.422 159 N HA 0.193 4.933 4.740 0.001 0.000 0.266 159 N C 0.226 175.729 175.510 -0.011 0.000 1.007 159 N CA -0.128 52.949 53.050 0.045 0.000 0.941 159 N CB 1.013 39.557 38.487 0.095 0.000 1.115 159 N HN 0.581 nan 8.380 nan 0.000 0.492 160 R N 2.478 122.990 120.500 0.020 0.000 2.090 160 R HA -0.019 4.322 4.340 0.001 0.000 0.228 160 R C 1.588 177.891 176.300 0.005 0.000 1.110 160 R CA 0.854 56.959 56.100 0.010 0.000 0.973 160 R CB -0.434 29.880 30.300 0.022 0.000 0.869 160 R HN 0.431 nan 8.270 nan 0.000 0.440 161 V N 0.846 120.768 119.914 0.013 0.000 2.358 161 V HA -0.179 3.942 4.120 0.001 0.000 0.246 161 V C 2.243 178.339 176.094 0.003 0.000 1.047 161 V CA 2.307 64.613 62.300 0.011 0.000 1.035 161 V CB -0.681 31.152 31.823 0.016 0.000 0.658 161 V HN 0.486 nan 8.190 nan 0.000 0.452 162 T N -3.352 111.201 114.554 -0.002 0.000 3.069 162 T HA 0.347 4.698 4.350 0.001 0.000 0.252 162 T C 1.601 176.277 174.700 -0.040 0.000 1.053 162 T CA 0.813 62.905 62.100 -0.013 0.000 0.964 162 T CB 0.704 69.570 68.868 -0.002 0.000 1.005 162 T HN 0.854 nan 8.240 nan 0.000 0.532 163 G N 1.465 110.234 108.800 -0.051 0.000 2.196 163 G HA2 -0.328 3.632 3.960 0.001 0.000 0.268 163 G HA3 -0.328 3.632 3.960 0.001 0.000 0.268 163 G C -0.091 174.724 174.900 -0.141 0.000 0.975 163 G CA 0.447 45.504 45.100 -0.071 0.000 0.648 163 G HN 0.781 nan 8.290 nan 0.000 0.538 164 E N 0.061 120.137 120.200 -0.205 0.000 2.417 164 E HA 0.410 4.761 4.350 0.001 0.000 0.261 164 E C 0.294 176.525 176.600 -0.615 0.000 1.000 164 E CA -0.300 55.880 56.400 -0.366 0.000 0.919 164 E CB 0.177 29.657 29.700 -0.367 0.000 0.955 164 E HN 0.383 nan 8.360 nan 0.000 0.455 165 I N 5.046 125.310 120.570 -0.511 0.000 2.359 165 I HA 0.068 4.238 4.170 0.001 0.000 0.294 165 I C -0.310 175.545 176.117 -0.437 0.000 0.987 165 I CA -0.395 60.634 61.300 -0.453 0.000 1.225 165 I CB 0.823 38.669 38.000 -0.256 0.000 1.366 165 I HN 0.703 nan 8.210 nan 0.000 0.466 166 Y N 3.675 123.948 120.300 -0.046 0.000 2.462 166 Y HA 0.179 4.729 4.550 0.001 0.000 0.253 166 Y C 0.655 176.636 175.900 0.134 0.000 1.095 166 Y CA -0.487 57.611 58.100 -0.002 0.000 1.283 166 Y CB 0.220 38.668 38.460 -0.021 0.000 1.138 166 Y HN 0.523 nan 8.280 nan 0.000 0.522 167 E N -0.847 119.494 120.200 0.234 0.000 2.456 167 E HA 0.649 5.000 4.350 0.001 0.000 0.276 167 E C -0.845 175.824 176.600 0.116 0.000 0.981 167 E CA -1.070 55.547 56.400 0.360 0.000 0.814 167 E CB 1.930 31.972 29.700 0.571 0.000 1.382 167 E HN -0.071 nan 8.360 nan 0.000 0.459 168 S N -0.483 115.338 115.700 0.201 0.000 2.726 168 S HA 0.662 5.132 4.470 0.001 0.000 0.308 168 S C 0.950 175.625 174.600 0.125 0.000 1.115 168 S CA -0.330 57.909 58.200 0.065 0.000 0.965 168 S CB 1.350 64.552 63.200 0.003 0.000 1.145 168 S HN 0.793 nan 8.310 nan 0.000 0.532 169 A N 0.572 123.456 122.820 0.107 0.000 1.908 169 A HA -0.098 4.223 4.320 0.001 0.000 0.218 169 A C 2.130 179.834 177.584 0.199 0.000 1.181 169 A CA 1.389 53.489 52.037 0.105 0.000 0.627 169 A CB -0.948 18.189 19.000 0.229 0.000 0.818 169 A HN 0.737 nan 8.150 nan 0.000 0.445 170 Q N -1.256 118.741 119.800 0.329 0.000 2.230 170 Q HA -0.046 4.294 4.340 0.001 0.000 0.202 170 Q C 1.700 177.973 176.000 0.455 0.000 0.963 170 Q CA 0.871 56.944 55.803 0.450 0.000 0.866 170 Q CB -0.486 28.422 28.738 0.283 0.000 0.931 170 Q HN 0.695 nan 8.270 nan 0.000 0.452 171 F N 0.653 120.774 119.950 0.285 0.000 2.206 171 F HA -0.059 4.469 4.527 0.001 0.000 0.298 171 F C 2.211 178.149 175.800 0.230 0.000 1.090 171 F CA 0.009 58.154 58.000 0.240 0.000 1.323 171 F CB -1.078 38.056 39.000 0.223 0.000 1.028 171 F HN 0.060 nan 8.300 nan 0.000 0.492 172 L N -1.061 120.387 121.223 0.376 0.000 1.989 172 L HA -0.315 4.026 4.340 0.001 0.000 0.211 172 L C 2.449 179.460 176.870 0.235 0.000 1.071 172 L CA 1.813 56.773 54.840 0.199 0.000 0.749 172 L CB -0.628 41.442 42.059 0.019 0.000 0.890 172 L HN 0.022 nan 8.230 nan 0.000 0.431 173 Y N -0.527 119.985 120.300 0.354 0.000 2.200 173 Y HA -0.241 4.310 4.550 0.001 0.000 0.290 173 Y C 2.325 178.490 175.900 0.442 0.000 1.137 173 Y CA 1.537 59.860 58.100 0.372 0.000 1.163 173 Y CB -0.531 38.148 38.460 0.365 0.000 0.988 173 Y HN 0.214 nan 8.280 nan 0.000 0.518 174 I N -0.472 120.451 120.570 0.588 0.000 2.315 174 I HA -0.249 3.921 4.170 0.001 0.000 0.248 174 I C 1.950 178.197 176.117 0.217 0.000 1.117 174 I CA 1.447 62.938 61.300 0.318 0.000 1.404 174 I CB -0.335 37.692 38.000 0.044 0.000 1.071 174 I HN 0.119 nan 8.210 nan 0.000 0.419 175 L N -1.369 119.963 121.223 0.182 0.000 2.179 175 L HA -0.101 4.240 4.340 0.001 0.000 0.208 175 L C 2.440 179.340 176.870 0.050 0.000 1.096 175 L CA 0.396 55.263 54.840 0.044 0.000 0.779 175 L CB -0.542 41.454 42.059 -0.104 0.000 0.922 175 L HN 0.046 nan 8.230 nan 0.000 0.443 176 V N 0.460 120.452 119.914 0.129 0.000 2.255 176 V HA -0.351 3.769 4.120 0.001 0.000 0.247 176 V C 2.822 178.976 176.094 0.100 0.000 1.051 176 V CA 2.020 64.387 62.300 0.112 0.000 1.018 176 V CB -0.961 30.991 31.823 0.215 0.000 0.641 176 V HN 0.495 nan 8.190 nan 0.000 0.445 177 A N 0.044 123.033 122.820 0.283 0.000 1.873 177 A HA -0.212 4.108 4.320 0.001 0.000 0.218 177 A C 2.452 180.145 177.584 0.182 0.000 1.193 177 A CA 2.563 54.787 52.037 0.312 0.000 0.629 177 A CB -1.035 18.280 19.000 0.526 0.000 0.826 177 A HN 0.628 nan 8.150 nan 0.000 0.447 178 A N -1.179 121.702 122.820 0.101 0.000 1.908 178 A HA -0.201 4.119 4.320 0.001 0.000 0.218 178 A C 2.338 179.993 177.584 0.118 0.000 1.181 178 A CA 1.846 53.891 52.037 0.013 0.000 0.627 178 A CB -1.288 17.549 19.000 -0.272 0.000 0.818 178 A HN 0.631 nan 8.150 nan 0.000 0.445 179 C N -0.939 118.365 119.300 0.007 0.000 2.453 179 C HA 0.009 4.469 4.460 0.001 0.000 0.277 179 C C 2.637 177.447 174.990 -0.301 0.000 1.262 179 C CA 0.946 59.921 59.018 -0.073 0.000 1.718 179 C CB -1.440 26.237 27.740 -0.105 0.000 2.031 179 C HN 0.630 nan 8.230 nan 0.000 0.480 180 L N -0.873 120.111 121.223 -0.399 0.000 2.141 180 L HA -0.075 4.266 4.340 0.001 0.000 0.209 180 L C 1.627 178.082 176.870 -0.692 0.000 1.094 180 L CA 1.563 56.006 54.840 -0.662 0.000 0.763 180 L CB -0.475 41.079 42.059 -0.843 0.000 0.908 180 L HN 0.289 nan 8.230 nan 0.000 0.437 181 F N -0.729 119.048 119.950 -0.289 0.000 2.660 181 F HA 0.038 4.565 4.527 0.001 0.000 0.302 181 F C 2.348 178.143 175.800 -0.008 0.000 1.103 181 F CA 0.148 57.977 58.000 -0.285 0.000 1.340 181 F CB -0.165 38.593 39.000 -0.404 0.000 1.048 181 F HN 0.042 nan 8.300 nan 0.000 0.551 182 S N -0.391 115.393 115.700 0.139 0.000 2.382 182 S HA -0.222 4.249 4.470 0.001 0.000 0.228 182 S C 1.382 176.001 174.600 0.032 0.000 1.027 182 S CA 1.371 59.626 58.200 0.091 0.000 0.991 182 S CB -0.726 62.536 63.200 0.103 0.000 0.823 182 S HN 0.522 nan 8.310 nan 0.000 0.469 183 N N -0.003 118.756 118.700 0.097 0.000 2.449 183 N HA 0.141 4.881 4.740 0.001 0.000 0.191 183 N C -0.756 174.812 175.510 0.095 0.000 1.161 183 N CA -0.092 52.998 53.050 0.067 0.000 0.863 183 N CB -0.016 38.489 38.487 0.031 0.000 0.980 183 N HN 0.348 nan 8.380 nan 0.000 0.458 184 Y N 1.791 122.093 120.300 0.002 0.000 2.326 184 Y HA 0.180 4.730 4.550 0.001 0.000 0.333 184 Y C -1.722 174.195 175.900 0.027 0.000 1.240 184 Y CA -2.454 55.668 58.100 0.038 0.000 1.365 184 Y CB 0.307 38.844 38.460 0.127 0.000 1.289 184 Y HN 0.027 nan 8.280 nan 0.000 0.548 185 P HA 0.087 nan 4.420 nan 0.000 0.272 185 P C 0.091 177.446 177.300 0.091 0.000 1.230 185 P CA -0.244 62.887 63.100 0.052 0.000 0.788 185 P CB 0.885 32.594 31.700 0.015 0.000 0.949 186 R N 1.819 122.346 120.500 0.045 0.000 2.159 186 R HA -0.135 4.205 4.340 0.001 0.000 0.237 186 R C 1.727 178.059 176.300 0.054 0.000 1.131 186 R CA 1.299 57.425 56.100 0.044 0.000 0.982 186 R CB -0.611 29.697 30.300 0.014 0.000 0.868 186 R HN 0.624 nan 8.270 nan 0.000 0.453 187 E N 0.511 120.741 120.200 0.049 0.000 2.204 187 E HA -0.116 4.235 4.350 0.001 0.000 0.194 187 E C 1.414 178.042 176.600 0.046 0.000 0.989 187 E CA 1.726 58.149 56.400 0.037 0.000 0.824 187 E CB -0.277 29.437 29.700 0.024 0.000 0.756 187 E HN 0.452 nan 8.360 nan 0.000 0.477 188 T N -2.305 112.315 114.554 0.110 0.000 2.955 188 T HA 0.201 4.551 4.350 0.001 0.000 0.251 188 T C 1.899 176.710 174.700 0.184 0.000 1.002 188 T CA 0.131 62.306 62.100 0.125 0.000 0.970 188 T CB 0.283 69.327 68.868 0.295 0.000 1.091 188 T HN 0.049 nan 8.240 nan 0.000 0.495 189 R N 1.423 122.070 120.500 0.246 0.000 2.122 189 R HA 0.001 4.342 4.340 0.001 0.000 0.236 189 R C 2.134 178.522 176.300 0.147 0.000 1.129 189 R CA 1.966 58.221 56.100 0.257 0.000 0.925 189 R CB -0.853 29.585 30.300 0.230 0.000 0.850 189 R HN 0.413 nan 8.270 nan 0.000 0.431 190 L N 0.490 121.798 121.223 0.141 0.000 2.456 190 L HA -0.109 4.232 4.340 0.001 0.000 0.224 190 L C 2.659 179.501 176.870 -0.047 0.000 1.148 190 L CA 0.917 55.850 54.840 0.155 0.000 0.825 190 L CB -0.482 41.744 42.059 0.278 0.000 0.937 190 L HN 0.515 nan 8.230 nan 0.000 0.450 191 Q N -0.466 119.252 119.800 -0.137 0.000 2.096 191 Q HA -0.179 4.162 4.340 0.001 0.000 0.197 191 Q C 2.197 177.937 176.000 -0.433 0.000 0.964 191 Q CA 1.378 56.990 55.803 -0.319 0.000 0.838 191 Q CB 0.026 28.563 28.738 -0.334 0.000 0.906 191 Q HN 0.390 nan 8.270 nan 0.000 0.444 192 Y N -0.104 119.951 120.300 -0.408 0.000 2.114 192 Y HA -0.251 4.299 4.550 0.001 0.000 0.284 192 Y C 2.390 177.849 175.900 -0.735 0.000 1.143 192 Y CA 1.209 58.850 58.100 -0.764 0.000 1.135 192 Y CB -0.681 36.994 38.460 -1.308 0.000 0.980 192 Y HN -0.069 nan 8.280 nan 0.000 0.499 193 V N 0.584 120.310 119.914 -0.314 0.000 2.250 193 V HA -0.401 3.720 4.120 0.001 0.000 0.250 193 V C 2.431 178.490 176.094 -0.058 0.000 1.060 193 V CA 2.463 64.724 62.300 -0.065 0.000 1.030 193 V CB -0.716 31.161 31.823 0.089 0.000 0.643 193 V HN 0.378 nan 8.190 nan 0.000 0.445 194 K N -0.119 120.060 120.400 -0.370 0.000 2.032 194 K HA -0.210 4.110 4.320 0.001 0.000 0.209 194 K C 2.388 178.843 176.600 -0.241 0.000 1.048 194 K CA 1.707 57.625 56.287 -0.614 0.000 0.927 194 K CB -0.173 31.469 32.500 -1.431 0.000 0.712 194 K HN 0.371 nan 8.250 nan 0.000 0.441 195 R N -0.653 119.694 120.500 -0.255 0.000 2.092 195 R HA -0.117 4.224 4.340 0.001 0.000 0.231 195 R C 2.321 178.582 176.300 -0.066 0.000 1.119 195 R CA 1.442 57.438 56.100 -0.174 0.000 0.970 195 R CB -0.346 29.831 30.300 -0.205 0.000 0.864 195 R HN 0.256 nan 8.270 nan 0.000 0.440 196 F N 0.487 120.356 119.950 -0.135 0.000 2.128 196 F HA -0.210 4.317 4.527 0.001 0.000 0.295 196 F C 2.271 178.065 175.800 -0.009 0.000 1.100 196 F CA 1.090 59.077 58.000 -0.022 0.000 1.260 196 F CB -0.472 38.595 39.000 0.113 0.000 1.009 196 F HN -0.047 nan 8.300 nan 0.000 0.476 197 Y N 1.419 121.762 120.300 0.072 0.000 2.102 197 Y HA -0.321 4.229 4.550 0.001 0.000 0.280 197 Y C 2.128 177.911 175.900 -0.195 0.000 1.178 197 Y CA 2.334 60.426 58.100 -0.013 0.000 1.146 197 Y CB -0.927 37.578 38.460 0.076 0.000 0.968 197 Y HN 0.081 nan 8.280 nan 0.000 0.504 198 D N 0.105 120.273 120.400 -0.386 0.000 2.144 198 D HA -0.148 4.493 4.640 0.001 0.000 0.199 198 D C 2.305 178.302 176.300 -0.505 0.000 0.984 198 D CA 1.511 55.220 54.000 -0.486 0.000 0.834 198 D CB -0.595 40.059 40.800 -0.243 0.000 0.955 198 D HN 0.515 nan 8.370 nan 0.000 0.465 199 A N 0.586 123.148 122.820 -0.430 0.000 1.873 199 A HA -0.124 4.197 4.320 0.001 0.000 0.215 199 A C 2.458 179.740 177.584 -0.504 0.000 1.186 199 A CA 2.094 53.892 52.037 -0.397 0.000 0.616 199 A CB -0.780 18.026 19.000 -0.323 0.000 0.823 199 A HN 0.223 nan 8.150 nan 0.000 0.442 200 V N -1.353 118.145 119.914 -0.693 0.000 2.407 200 V HA -0.118 4.002 4.120 0.001 0.000 0.245 200 V C 2.391 177.875 176.094 -1.017 0.000 1.041 200 V CA 2.238 64.118 62.300 -0.699 0.000 1.040 200 V CB -1.271 30.174 31.823 -0.631 0.000 0.671 200 V HN 0.676 nan 8.190 nan 0.000 0.455 201 S N 1.703 116.642 115.700 -1.268 0.000 2.481 201 S HA -0.113 4.357 4.470 0.001 0.000 0.231 201 S C 1.687 175.576 174.600 -1.185 0.000 0.996 201 S CA 1.253 58.635 58.200 -1.364 0.000 0.942 201 S CB -0.982 61.511 63.200 -1.179 0.000 0.768 201 S HN 0.923 nan 8.310 nan 0.000 0.520 202 T N -2.695 111.285 114.554 -0.957 0.000 3.176 202 T HA 0.404 4.754 4.350 0.001 0.000 0.263 202 T C 0.224 174.556 174.700 -0.614 0.000 1.021 202 T CA -0.508 61.081 62.100 -0.852 0.000 0.905 202 T CB -0.879 67.704 68.868 -0.476 0.000 1.057 202 T HN 0.271 nan 8.240 nan 0.000 0.558 203 F N 0.382 120.189 119.950 -0.238 0.000 2.840 203 F HA -0.217 4.310 4.527 0.001 0.000 0.310 203 F C 1.283 177.045 175.800 -0.065 0.000 0.688 203 F CA 0.266 58.199 58.000 -0.112 0.000 1.286 203 F CB -2.331 36.645 39.000 -0.039 0.000 1.612 203 F HN 0.315 nan 8.300 nan 0.000 0.335 204 K N 0.184 120.582 120.400 -0.004 0.000 2.155 204 K HA 0.181 4.502 4.320 0.001 0.000 0.203 204 K C 0.806 177.455 176.600 0.082 0.000 1.052 204 K CA 1.163 57.467 56.287 0.027 0.000 0.948 204 K CB 0.516 32.986 32.500 -0.050 0.000 0.728 204 K HN 0.302 nan 8.250 nan 0.000 0.448 205 I N 0.644 121.214 120.570 0.001 0.000 2.465 205 I HA 0.104 4.275 4.170 0.001 0.000 0.291 205 I C -0.578 175.549 176.117 0.017 0.000 1.014 205 I CA -0.544 60.760 61.300 0.007 0.000 1.093 205 I CB 2.275 40.220 38.000 -0.092 0.000 1.267 205 I HN -0.170 nan 8.210 nan 0.000 0.431 206 S N 6.204 121.938 115.700 0.056 0.000 2.475 206 S HA 0.696 5.167 4.470 0.001 0.000 0.298 206 S C -0.492 174.169 174.600 0.102 0.000 1.119 206 S CA -0.512 57.758 58.200 0.117 0.000 1.085 206 S CB 1.010 64.285 63.200 0.124 0.000 1.028 206 S HN 0.303 nan 8.310 nan 0.000 0.489 207 L N 4.977 126.297 121.223 0.162 0.000 2.334 207 L HA 0.564 4.904 4.340 0.001 0.000 0.273 207 L C -2.047 174.899 176.870 0.126 0.000 1.013 207 L CA -2.277 52.641 54.840 0.130 0.000 0.816 207 L CB 1.553 43.703 42.059 0.152 0.000 1.278 207 L HN 0.415 nan 8.230 nan 0.000 0.431 208 P HA 0.079 nan 4.420 nan 0.000 0.272 208 P C 0.358 177.693 177.300 0.058 0.000 1.240 208 P CA -0.281 62.872 63.100 0.089 0.000 0.791 208 P CB 0.621 32.360 31.700 0.064 0.000 0.978 209 T N 1.675 116.292 114.554 0.104 0.000 2.684 209 T HA -0.082 4.269 4.350 0.001 0.000 0.267 209 T C -0.906 173.796 174.700 0.002 0.000 1.036 209 T CA 2.329 64.474 62.100 0.075 0.000 1.148 209 T CB -1.755 67.238 68.868 0.208 0.000 0.863 209 T HN 0.515 nan 8.240 nan 0.000 0.436 210 P HA 0.051 nan 4.420 nan 0.000 0.218 210 P C 1.362 178.784 177.300 0.202 0.000 1.149 210 P CA 0.824 64.019 63.100 0.159 0.000 0.817 210 P CB -0.148 31.674 31.700 0.202 0.000 0.785 211 I N -1.698 118.900 120.570 0.048 0.000 2.193 211 I HA -0.191 3.980 4.170 0.001 0.000 0.240 211 I C 2.356 178.407 176.117 -0.111 0.000 1.084 211 I CA 1.303 62.542 61.300 -0.101 0.000 1.365 211 I CB -0.578 37.353 38.000 -0.115 0.000 1.064 211 I HN -0.113 nan 8.210 nan 0.000 0.410 212 M N 0.524 119.995 119.600 -0.215 0.000 2.202 212 M HA -0.170 4.311 4.480 0.001 0.000 0.262 212 M C 2.448 178.530 176.300 -0.363 0.000 1.063 212 M CA 1.983 57.024 55.300 -0.430 0.000 1.097 212 M CB -1.048 30.832 32.600 -1.200 0.000 1.382 212 M HN 0.395 nan 8.290 nan 0.000 0.413 213 S N -1.582 113.982 115.700 -0.226 0.000 2.486 213 S HA 0.146 4.616 4.470 0.001 0.000 0.220 213 S C 1.828 176.486 174.600 0.097 0.000 1.011 213 S CA 0.538 58.714 58.200 -0.041 0.000 0.921 213 S CB -0.145 63.069 63.200 0.022 0.000 0.785 213 S HN 0.468 nan 8.310 nan 0.000 0.517 214 G N 0.923 109.830 108.800 0.178 0.000 2.724 214 G HA2 0.302 4.262 3.960 0.001 0.000 0.205 214 G HA3 0.302 4.262 3.960 0.001 0.000 0.205 214 G C 0.132 175.288 174.900 0.427 0.000 1.112 214 G CA -0.031 45.298 45.100 0.381 0.000 0.793 214 G HN 0.359 nan 8.290 nan 0.000 0.526 215 V N 2.804 122.826 119.914 0.179 0.000 2.397 215 V HA 0.362 4.482 4.120 0.001 0.000 0.262 215 V C 1.094 177.245 176.094 0.095 0.000 1.047 215 V CA 1.079 63.415 62.300 0.059 0.000 1.003 215 V CB -0.019 31.658 31.823 -0.243 0.000 1.037 215 V HN 0.757 nan 8.190 nan 0.000 0.480 216 R N 2.695 123.301 120.500 0.177 0.000 1.703 216 R HA -0.101 4.239 4.340 0.001 0.000 0.358 216 R C 0.226 176.576 176.300 0.084 0.000 0.191 216 R CA 0.677 56.785 56.100 0.012 0.000 1.436 216 R CB -1.347 28.809 30.300 -0.240 0.000 1.807 216 R HN 0.686 nan 8.270 nan 0.000 0.184 217 T N -1.592 113.092 114.554 0.217 0.000 2.936 217 T HA 0.602 4.953 4.350 0.001 0.000 0.282 217 T C -2.032 172.786 174.700 0.197 0.000 1.003 217 T CA -1.590 60.649 62.100 0.232 0.000 1.005 217 T CB 2.191 71.187 68.868 0.214 0.000 1.097 217 T HN -0.148 nan 8.240 nan 0.000 0.532 218 P HA 0.035 nan 4.420 nan 0.000 0.226 218 P C 0.678 177.969 177.300 -0.014 0.000 1.146 218 P CA 0.714 63.852 63.100 0.064 0.000 0.773 218 P CB -0.170 31.553 31.700 0.038 0.000 0.772 219 T N 0.054 114.593 114.554 -0.025 0.000 2.899 219 T HA 0.171 4.521 4.350 0.001 0.000 0.295 219 T C 0.998 175.484 174.700 -0.356 0.000 1.033 219 T CA -0.270 61.720 62.100 -0.184 0.000 1.084 219 T CB 0.245 68.986 68.868 -0.212 0.000 0.979 219 T HN -0.127 nan 8.240 nan 0.000 0.532 220 R N 2.633 122.810 120.500 -0.537 0.000 2.596 220 R HA 0.180 4.520 4.340 0.001 0.000 0.369 220 R C -0.164 175.573 176.300 -0.938 0.000 1.042 220 R CA -0.080 55.593 56.100 -0.712 0.000 1.120 220 R CB 0.416 30.470 30.300 -0.410 0.000 1.353 220 R HN 0.659 nan 8.270 nan 0.000 0.564 221 Q N 0.430 119.642 119.800 -0.980 0.000 2.441 221 Q HA 0.238 4.578 4.340 0.001 0.000 0.234 221 Q C -0.341 175.246 176.000 -0.688 0.000 1.078 221 Q CA -0.024 55.401 55.803 -0.629 0.000 0.907 221 Q CB 0.380 28.909 28.738 -0.348 0.000 1.269 221 Q HN 0.048 nan 8.270 nan 0.000 0.502 222 F N -1.191 118.730 119.950 -0.048 0.000 2.767 222 F HA 0.184 4.712 4.527 0.001 0.000 0.323 222 F C 0.547 176.340 175.800 -0.010 0.000 1.091 222 F CA -0.426 57.562 58.000 -0.021 0.000 1.192 222 F CB 0.949 39.940 39.000 -0.015 0.000 1.056 222 F HN 0.128 nan 8.300 nan 0.000 0.571 223 S N 0.747 116.518 115.700 0.119 0.000 2.422 223 S HA 0.206 4.676 4.470 0.001 0.000 0.283 223 S C 1.093 175.737 174.600 0.073 0.000 1.163 223 S CA 0.000 58.255 58.200 0.090 0.000 1.054 223 S CB 0.604 63.866 63.200 0.104 0.000 0.967 223 S HN 0.312 nan 8.310 nan 0.000 0.499 224 S N 0.846 116.574 115.700 0.047 0.000 2.554 224 S HA 0.195 4.666 4.470 0.001 0.000 0.226 224 S C 0.265 174.860 174.600 -0.008 0.000 0.980 224 S CA -0.527 57.695 58.200 0.036 0.000 0.939 224 S CB -0.020 63.213 63.200 0.055 0.000 0.832 224 S HN 0.663 nan 8.310 nan 0.000 0.486 225 C N 1.958 121.225 119.300 -0.055 0.000 2.781 225 C HA 0.758 5.218 4.460 0.001 0.000 0.348 225 C C -0.615 174.288 174.990 -0.146 0.000 1.051 225 C CA -0.385 58.587 59.018 -0.076 0.000 1.347 225 C CB 0.094 27.806 27.740 -0.046 0.000 1.846 225 C HN 0.605 nan 8.230 nan 0.000 0.473 226 V N 5.702 125.499 119.914 -0.195 0.000 2.735 226 V HA 0.879 5.000 4.120 0.001 0.000 0.310 226 V C -1.561 174.432 176.094 -0.169 0.000 1.061 226 V CA -0.616 61.517 62.300 -0.278 0.000 0.913 226 V CB 1.862 33.315 31.823 -0.618 0.000 1.005 226 V HN 0.640 nan 8.190 nan 0.000 0.428 227 L N 6.481 127.616 121.223 -0.148 0.000 2.343 227 L HA 0.653 4.994 4.340 0.001 0.000 0.278 227 L C -0.330 176.479 176.870 -0.101 0.000 0.996 227 L CA -0.084 54.688 54.840 -0.112 0.000 0.831 227 L CB 1.462 43.448 42.059 -0.123 0.000 1.232 227 L HN 0.643 nan 8.230 nan 0.000 0.413 228 I N 1.790 122.306 120.570 -0.090 0.000 2.433 228 I HA 0.450 4.620 4.170 0.001 0.000 0.292 228 I C -0.079 175.988 176.117 -0.083 0.000 1.001 228 I CA -0.644 60.609 61.300 -0.078 0.000 1.119 228 I CB 2.012 39.964 38.000 -0.080 0.000 1.289 228 I HN 0.574 nan 8.210 nan 0.000 0.438 229 E N 5.342 125.505 120.200 -0.061 0.000 2.151 229 E HA 0.299 4.649 4.350 0.001 0.000 0.275 229 E C -1.419 175.169 176.600 -0.021 0.000 0.936 229 E CA -0.607 55.768 56.400 -0.041 0.000 0.777 229 E CB 1.755 31.432 29.700 -0.038 0.000 1.108 229 E HN 0.732 nan 8.360 nan 0.000 0.401 230 C N 4.374 123.669 119.300 -0.009 0.000 2.435 230 C HA 0.699 5.159 4.460 0.001 0.000 0.375 230 C C 0.789 175.814 174.990 0.057 0.000 1.281 230 C CA -0.143 58.898 59.018 0.037 0.000 1.963 230 C CB -0.573 27.218 27.740 0.086 0.000 2.490 230 C HN 0.827 nan 8.230 nan 0.000 0.557 231 G N 3.221 112.054 108.800 0.056 0.000 2.477 231 G HA2 0.325 4.285 3.960 0.001 0.000 0.304 231 G HA3 0.325 4.285 3.960 0.001 0.000 0.304 231 G C -0.452 174.469 174.900 0.035 0.000 1.175 231 G CA -0.153 44.964 45.100 0.028 0.000 0.907 231 G HN 0.794 nan 8.290 nan 0.000 0.509 232 D N -0.166 120.210 120.400 -0.039 0.000 2.671 232 D HA 0.335 4.975 4.640 0.001 0.000 0.228 232 D C 0.337 176.511 176.300 -0.210 0.000 1.102 232 D CA 0.134 54.047 54.000 -0.146 0.000 1.044 232 D CB -0.466 40.175 40.800 -0.265 0.000 1.113 232 D HN 0.469 nan 8.370 nan 0.000 0.480 233 S N -0.066 115.704 115.700 0.116 0.000 2.567 233 S HA 0.250 4.721 4.470 0.001 0.000 0.270 233 S C 0.829 175.617 174.600 0.314 0.000 1.152 233 S CA -0.922 57.450 58.200 0.286 0.000 0.835 233 S CB 0.626 63.894 63.200 0.113 0.000 1.115 233 S HN 0.085 nan 8.310 nan 0.000 0.459 234 L N 0.699 122.080 121.223 0.264 0.000 2.093 234 L HA -0.054 4.286 4.340 0.001 0.000 0.208 234 L C 1.864 178.773 176.870 0.066 0.000 1.085 234 L CA 1.394 56.260 54.840 0.043 0.000 0.755 234 L CB -0.615 41.457 42.059 0.022 0.000 0.904 234 L HN 0.707 nan 8.230 nan 0.000 0.435 235 D N -0.687 119.767 120.400 0.089 0.000 2.117 235 D HA -0.177 4.463 4.640 0.001 0.000 0.197 235 D C 2.386 178.736 176.300 0.084 0.000 0.987 235 D CA 1.430 55.476 54.000 0.077 0.000 0.829 235 D CB 0.047 40.888 40.800 0.068 0.000 0.961 235 D HN 0.097 nan 8.370 nan 0.000 0.460 236 S N -0.439 115.315 115.700 0.090 0.000 2.371 236 S HA -0.027 4.444 4.470 0.001 0.000 0.224 236 S C 2.120 176.799 174.600 0.132 0.000 1.029 236 S CA 0.296 58.552 58.200 0.094 0.000 0.978 236 S CB -0.127 63.122 63.200 0.082 0.000 0.833 236 S HN 0.140 nan 8.310 nan 0.000 0.466 237 I N 2.141 122.791 120.570 0.134 0.000 2.226 237 I HA -0.197 3.974 4.170 0.001 0.000 0.245 237 I C 2.218 178.493 176.117 0.264 0.000 1.100 237 I CA 1.016 62.440 61.300 0.208 0.000 1.374 237 I CB -0.417 37.542 38.000 -0.067 0.000 1.057 237 I HN 0.282 nan 8.210 nan 0.000 0.413 238 N N 1.011 119.815 118.700 0.174 0.000 2.120 238 N HA -0.128 4.612 4.740 0.001 0.000 0.188 238 N C 1.910 177.517 175.510 0.163 0.000 1.024 238 N CA 1.649 54.808 53.050 0.182 0.000 0.852 238 N CB -0.400 38.162 38.487 0.125 0.000 1.003 238 N HN 0.372 nan 8.380 nan 0.000 0.424 239 A N 0.448 123.346 122.820 0.130 0.000 1.877 239 A HA -0.111 4.209 4.320 0.001 0.000 0.216 239 A C 2.384 180.032 177.584 0.108 0.000 1.186 239 A CA 1.988 54.087 52.037 0.103 0.000 0.620 239 A CB -1.130 17.919 19.000 0.082 0.000 0.822 239 A HN 0.295 nan 8.150 nan 0.000 0.443 240 T N -0.277 114.350 114.554 0.123 0.000 2.652 240 T HA -0.190 4.160 4.350 0.001 0.000 0.267 240 T C 2.307 177.069 174.700 0.104 0.000 1.039 240 T CA 2.013 64.158 62.100 0.074 0.000 1.153 240 T CB -0.473 68.406 68.868 0.018 0.000 0.863 240 T HN 0.593 nan 8.240 nan 0.000 0.428 241 S N 0.700 116.541 115.700 0.235 0.000 2.370 241 S HA -0.145 4.325 4.470 0.001 0.000 0.226 241 S C 2.331 176.994 174.600 0.105 0.000 1.033 241 S CA 1.843 60.164 58.200 0.201 0.000 1.011 241 S CB -0.553 62.769 63.200 0.203 0.000 0.852 241 S HN 0.449 nan 8.310 nan 0.000 0.457 242 S N 1.635 117.399 115.700 0.107 0.000 2.356 242 S HA -0.007 4.463 4.470 0.001 0.000 0.223 242 S C 2.294 176.931 174.600 0.061 0.000 1.032 242 S CA 1.176 59.421 58.200 0.074 0.000 1.005 242 S CB -0.884 62.359 63.200 0.071 0.000 0.867 242 S HN 0.758 nan 8.310 nan 0.000 0.449 243 A N 1.349 124.216 122.820 0.079 0.000 1.902 243 A HA -0.068 4.253 4.320 0.001 0.000 0.217 243 A C 2.090 179.765 177.584 0.152 0.000 1.181 243 A CA 1.276 53.380 52.037 0.111 0.000 0.623 243 A CB -0.759 18.321 19.000 0.133 0.000 0.818 243 A HN 0.476 nan 8.150 nan 0.000 0.443 244 I N -0.598 120.035 120.570 0.105 0.000 2.163 244 I HA -0.234 3.937 4.170 0.001 0.000 0.243 244 I C 2.371 178.543 176.117 0.092 0.000 1.085 244 I CA 1.235 62.592 61.300 0.096 0.000 1.347 244 I CB -0.326 37.702 38.000 0.046 0.000 1.044 244 I HN 0.162 nan 8.210 nan 0.000 0.408 245 V N 0.714 120.663 119.914 0.060 0.000 2.295 245 V HA -0.271 3.849 4.120 0.001 0.000 0.246 245 V C 2.556 178.661 176.094 0.019 0.000 1.049 245 V CA 1.648 63.970 62.300 0.036 0.000 1.024 245 V CB -0.669 31.169 31.823 0.025 0.000 0.648 245 V HN 0.340 nan 8.190 nan 0.000 0.447 246 K N -0.745 119.651 120.400 -0.007 0.000 2.032 246 K HA -0.186 4.134 4.320 0.001 0.000 0.209 246 K C 2.086 178.613 176.600 -0.122 0.000 1.048 246 K CA 1.874 58.103 56.287 -0.097 0.000 0.927 246 K CB -0.615 31.779 32.500 -0.176 0.000 0.712 246 K HN 0.511 nan 8.250 nan 0.000 0.441 247 Y N 0.843 121.142 120.300 -0.002 0.000 2.263 247 Y HA -0.158 4.393 4.550 0.001 0.000 0.292 247 Y C 2.310 178.207 175.900 -0.004 0.000 1.130 247 Y CA 0.961 59.058 58.100 -0.005 0.000 1.179 247 Y CB -0.574 37.886 38.460 0.001 0.000 0.998 247 Y HN -0.075 nan 8.280 nan 0.000 0.532 248 V N -1.869 118.133 119.914 0.147 0.000 2.626 248 V HA -0.179 3.941 4.120 0.001 0.000 0.252 248 V C 2.144 178.270 176.094 0.054 0.000 1.067 248 V CA 1.755 64.108 62.300 0.089 0.000 1.081 248 V CB -1.264 30.599 31.823 0.066 0.000 0.686 248 V HN 0.450 nan 8.190 nan 0.000 0.468 249 S N 0.756 116.473 115.700 0.029 0.000 2.419 249 S HA -0.244 4.226 4.470 0.001 0.000 0.233 249 S C 1.769 176.368 174.600 -0.002 0.000 1.016 249 S CA 1.639 59.841 58.200 0.003 0.000 0.974 249 S CB -0.696 62.492 63.200 -0.020 0.000 0.786 249 S HN 0.799 nan 8.310 nan 0.000 0.492 250 Q N 0.105 119.910 119.800 0.008 0.000 2.246 250 Q HA 0.365 4.705 4.340 0.001 0.000 0.202 250 Q C -0.122 175.904 176.000 0.043 0.000 0.883 250 Q CA -0.347 55.459 55.803 0.005 0.000 0.952 250 Q CB 0.243 28.970 28.738 -0.018 0.000 1.078 250 Q HN 0.335 nan 8.270 nan 0.000 0.493 251 R N -1.294 119.240 120.500 0.056 0.000 3.908 251 R HA -0.141 4.199 4.340 0.001 0.000 0.381 251 R C -0.472 175.871 176.300 0.072 0.000 1.135 251 R CA 0.689 56.825 56.100 0.059 0.000 0.990 251 R CB -2.185 28.144 30.300 0.049 0.000 1.557 251 R HN 0.322 nan 8.270 nan 0.000 0.535 252 A N 0.725 123.602 122.820 0.096 0.000 2.425 252 A HA 0.566 4.886 4.320 0.001 0.000 0.249 252 A C 0.995 178.607 177.584 0.047 0.000 1.084 252 A CA 0.555 52.635 52.037 0.072 0.000 0.781 252 A CB 0.546 19.595 19.000 0.082 0.000 1.019 252 A HN 0.316 nan 8.150 nan 0.000 0.490 253 G N 0.744 109.559 108.800 0.025 0.000 2.444 253 G HA2 0.511 4.471 3.960 0.001 0.000 0.268 253 G HA3 0.511 4.471 3.960 0.001 0.000 0.268 253 G C -0.263 174.631 174.900 -0.011 0.000 1.203 253 G CA -0.392 44.721 45.100 0.020 0.000 0.835 253 G HN 0.577 nan 8.290 nan 0.000 0.543 254 I N 0.997 121.567 120.570 0.000 0.000 2.509 254 I HA 0.471 4.641 4.170 0.001 0.000 0.293 254 I C 0.507 176.631 176.117 0.012 0.000 1.020 254 I CA -0.693 60.596 61.300 -0.020 0.000 1.088 254 I CB 1.509 39.497 38.000 -0.020 0.000 1.267 254 I HN 0.553 nan 8.210 nan 0.000 0.430 255 G N 6.365 115.178 108.800 0.022 0.000 2.422 255 G HA2 0.729 4.689 3.960 0.001 0.000 0.317 255 G HA3 0.729 4.689 3.960 0.001 0.000 0.317 255 G C -0.775 174.168 174.900 0.071 0.000 1.210 255 G CA -0.355 44.828 45.100 0.139 0.000 0.930 255 G HN 0.477 nan 8.290 nan 0.000 0.468 256 I N 2.114 122.741 120.570 0.095 0.000 2.389 256 I HA 0.219 4.389 4.170 0.001 0.000 0.288 256 I C -0.493 175.688 176.117 0.106 0.000 0.999 256 I CA -1.032 60.244 61.300 -0.040 0.000 1.129 256 I CB 2.064 39.904 38.000 -0.267 0.000 1.288 256 I HN 0.303 nan 8.210 nan 0.000 0.444 257 N N 5.225 123.963 118.700 0.063 0.000 2.420 257 N HA 0.451 5.192 4.740 0.001 0.000 0.249 257 N C 0.050 175.626 175.510 0.110 0.000 1.033 257 N CA -0.172 52.967 53.050 0.147 0.000 0.944 257 N CB 1.610 40.144 38.487 0.077 0.000 1.113 257 N HN 0.759 nan 8.380 nan 0.000 0.502 258 A N 2.290 125.221 122.820 0.185 0.000 2.571 258 A HA 0.327 4.647 4.320 0.001 0.000 0.274 258 A C 1.554 179.343 177.584 0.342 0.000 1.196 258 A CA 0.103 52.294 52.037 0.257 0.000 0.957 258 A CB -0.173 19.012 19.000 0.309 0.000 1.150 258 A HN 0.628 nan 8.150 nan 0.000 0.539 259 G N 0.376 109.387 108.800 0.352 0.000 2.498 259 G HA2 -0.185 3.775 3.960 0.001 0.000 0.219 259 G HA3 -0.185 3.775 3.960 0.001 0.000 0.219 259 G C 1.487 176.509 174.900 0.203 0.000 1.119 259 G CA 0.722 46.048 45.100 0.377 0.000 0.766 259 G HN 0.553 nan 8.290 nan 0.000 0.552 260 R N -0.498 120.001 120.500 -0.002 0.000 2.240 260 R HA 0.232 4.573 4.340 0.001 0.000 0.203 260 R C 0.633 176.941 176.300 0.014 0.000 1.011 260 R CA -0.255 55.726 56.100 -0.198 0.000 1.007 260 R CB 0.032 30.160 30.300 -0.286 0.000 0.911 260 R HN 0.321 nan 8.270 nan 0.000 0.468 261 I N 3.751 124.425 120.570 0.175 0.000 2.741 261 I HA -0.092 4.079 4.170 0.001 0.000 0.288 261 I C 0.775 177.064 176.117 0.287 0.000 1.192 261 I CA 0.157 61.608 61.300 0.251 0.000 1.426 261 I CB 0.197 38.429 38.000 0.387 0.000 1.367 261 I HN 0.193 nan 8.210 nan 0.000 0.563 262 R N 5.872 126.470 120.500 0.163 0.000 2.694 262 R HA 0.541 4.881 4.340 0.001 0.000 0.268 262 R C -0.116 176.321 176.300 0.228 0.000 1.061 262 R CA -0.697 55.477 56.100 0.123 0.000 1.133 262 R CB 0.367 30.660 30.300 -0.011 0.000 1.020 262 R HN 0.622 nan 8.270 nan 0.000 0.475 263 A N 2.885 125.785 122.820 0.133 0.000 2.386 263 A HA 0.200 4.520 4.320 0.001 0.000 0.248 263 A C 0.039 177.671 177.584 0.081 0.000 1.082 263 A CA -0.728 51.400 52.037 0.152 0.000 0.789 263 A CB 0.282 19.316 19.000 0.058 0.000 1.025 263 A HN 0.754 nan 8.150 nan 0.000 0.490 264 L N 2.028 123.283 121.223 0.054 0.000 2.747 264 L HA 0.276 4.616 4.340 0.001 0.000 0.286 264 L C 1.252 178.080 176.870 -0.070 0.000 1.216 264 L CA 2.335 57.171 54.840 -0.006 0.000 0.930 264 L CB -0.545 41.497 42.059 -0.028 0.000 1.216 264 L HN 1.746 nan 8.230 nan 0.000 0.486 265 G N 2.147 110.839 108.800 -0.180 0.000 2.213 265 G HA2 -0.233 3.727 3.960 0.001 0.000 0.226 265 G HA3 -0.233 3.727 3.960 0.001 0.000 0.226 265 G C 0.418 175.086 174.900 -0.386 0.000 0.992 265 G CA 0.105 45.022 45.100 -0.306 0.000 0.632 265 G HN 0.912 nan 8.290 nan 0.000 0.511 266 S N 2.787 118.334 115.700 -0.255 0.000 2.572 266 S HA 0.506 4.977 4.470 0.001 0.000 0.279 266 S C -1.205 173.321 174.600 -0.124 0.000 1.341 266 S CA -0.494 57.625 58.200 -0.136 0.000 1.043 266 S CB 1.079 64.258 63.200 -0.035 0.000 0.887 266 S HN 0.340 nan 8.310 nan 0.000 0.516 275 H N 2.401 121.660 119.070 0.315 0.000 2.357 275 H HA -0.168 4.389 4.556 0.001 0.000 0.296 275 H C 1.924 177.296 175.328 0.073 0.000 1.108 275 H CA 2.657 58.797 56.048 0.154 0.000 1.273 275 H CB -0.039 29.790 29.762 0.112 0.000 1.367 275 H HN 0.419 nan 8.280 nan 0.000 0.498 276 T N -2.233 112.445 114.554 0.206 0.000 3.113 276 T HA 0.355 4.706 4.350 0.001 0.000 0.256 276 T C 1.028 175.712 174.700 -0.026 0.000 1.131 276 T CA 0.657 62.786 62.100 0.049 0.000 1.074 276 T CB 0.070 68.900 68.868 -0.065 0.000 0.944 276 T HN 0.723 nan 8.240 nan 0.000 0.516 277 G N -0.407 108.428 108.800 0.058 0.000 2.592 277 G HA2 -0.158 3.802 3.960 0.001 0.000 0.684 277 G HA3 -0.158 3.802 3.960 0.001 0.000 0.684 277 G C 0.632 175.573 174.900 0.068 0.000 1.291 277 G CA -0.604 44.533 45.100 0.061 0.000 0.891 277 G HN 0.269 nan 8.290 nan 0.000 0.544 278 C N -0.328 118.972 119.300 0.001 0.000 2.446 278 C HA 0.045 4.505 4.460 0.001 0.000 0.277 278 C C 3.047 177.835 174.990 -0.335 0.000 1.275 278 C CA 1.543 60.497 59.018 -0.106 0.000 1.727 278 C CB -1.545 25.920 27.740 -0.459 0.000 2.010 278 C HN 0.535 nan 8.230 nan 0.000 0.486 279 I N 1.435 121.752 120.570 -0.421 0.000 2.163 279 I HA -0.151 4.019 4.170 0.001 0.000 0.243 279 I C -0.533 175.472 176.117 -0.187 0.000 1.085 279 I CA 1.694 62.779 61.300 -0.358 0.000 1.347 279 I CB -1.593 36.243 38.000 -0.272 0.000 1.044 279 I HN 0.224 nan 8.210 nan 0.000 0.408 280 P HA -0.167 nan 4.420 nan 0.000 0.218 280 P C 1.488 178.591 177.300 -0.328 0.000 1.148 280 P CA 1.583 64.481 63.100 -0.336 0.000 0.822 280 P CB -0.098 31.287 31.700 -0.525 0.000 0.784 281 F N -2.778 117.109 119.950 -0.105 0.000 2.206 281 F HA -0.103 4.424 4.527 0.001 0.000 0.298 281 F C 2.241 177.881 175.800 -0.267 0.000 1.090 281 F CA 0.906 58.776 58.000 -0.216 0.000 1.323 281 F CB -1.519 37.370 39.000 -0.186 0.000 1.028 281 F HN -0.099 nan 8.300 nan 0.000 0.492 282 Y N 0.731 121.026 120.300 -0.008 0.000 2.181 282 Y HA -0.177 4.374 4.550 0.001 0.000 0.288 282 Y C 2.302 178.281 175.900 0.133 0.000 1.146 282 Y CA 0.701 58.897 58.100 0.159 0.000 1.164 282 Y CB -1.168 37.430 38.460 0.230 0.000 0.982 282 Y HN 0.030 nan 8.280 nan 0.000 0.515 283 K N -1.051 119.488 120.400 0.232 0.000 2.063 283 K HA -0.247 4.074 4.320 0.001 0.000 0.208 283 K C 2.006 178.703 176.600 0.161 0.000 1.048 283 K CA 1.763 58.147 56.287 0.161 0.000 0.928 283 K CB -0.323 32.222 32.500 0.075 0.000 0.713 283 K HN 0.279 nan 8.250 nan 0.000 0.442 284 H N -0.482 118.581 119.070 -0.012 0.000 2.389 284 H HA -0.073 4.483 4.556 0.001 0.000 0.299 284 H C 1.453 176.835 175.328 0.089 0.000 1.081 284 H CA 1.530 57.569 56.048 -0.015 0.000 1.345 284 H CB 0.008 29.727 29.762 -0.073 0.000 1.393 284 H HN 0.070 nan 8.280 nan 0.000 0.520 285 F N 0.613 120.643 119.950 0.133 0.000 2.146 285 F HA -0.118 4.409 4.527 0.001 0.000 0.298 285 F C 2.793 178.605 175.800 0.020 0.000 1.096 285 F CA 1.387 59.407 58.000 0.034 0.000 1.275 285 F CB -1.068 37.969 39.000 0.061 0.000 1.008 285 F HN 0.306 nan 8.300 nan 0.000 0.480 286 Q N 0.359 120.310 119.800 0.252 0.000 2.096 286 Q HA -0.207 4.134 4.340 0.001 0.000 0.204 286 Q C 2.146 178.216 176.000 0.116 0.000 0.982 286 Q CA 2.684 58.592 55.803 0.175 0.000 0.850 286 Q CB -0.200 28.656 28.738 0.197 0.000 0.901 286 Q HN 0.518 nan 8.270 nan 0.000 0.422 287 T N -2.167 112.442 114.554 0.092 0.000 2.904 287 T HA 0.064 4.414 4.350 0.001 0.000 0.267 287 T C 1.837 176.547 174.700 0.017 0.000 1.059 287 T CA 0.851 62.983 62.100 0.054 0.000 1.137 287 T CB -0.352 68.555 68.868 0.065 0.000 0.879 287 T HN 0.352 nan 8.240 nan 0.000 0.467 288 A N 1.451 124.261 122.820 -0.016 0.000 1.877 288 A HA 0.049 4.369 4.320 0.001 0.000 0.216 288 A C 2.623 180.229 177.584 0.035 0.000 1.186 288 A CA 1.624 53.656 52.037 -0.008 0.000 0.620 288 A CB -1.199 17.799 19.000 -0.002 0.000 0.822 288 A HN 0.396 nan 8.150 nan 0.000 0.443 289 V N -0.421 119.529 119.914 0.059 0.000 2.392 289 V HA -0.215 3.905 4.120 0.001 0.000 0.249 289 V C 2.266 178.388 176.094 0.046 0.000 1.059 289 V CA 2.453 64.787 62.300 0.056 0.000 1.051 289 V CB -0.507 31.354 31.823 0.063 0.000 0.658 289 V HN 0.485 nan 8.190 nan 0.000 0.455 290 K N 0.106 120.531 120.400 0.042 0.000 2.358 290 K HA 0.094 4.414 4.320 0.001 0.000 0.197 290 K C 2.009 178.620 176.600 0.019 0.000 1.025 290 K CA 0.624 56.927 56.287 0.026 0.000 1.104 290 K CB -0.006 32.503 32.500 0.014 0.000 0.855 290 K HN 0.596 nan 8.250 nan 0.000 0.531 291 S N -0.865 114.849 115.700 0.023 0.000 2.423 291 S HA -0.212 4.258 4.470 0.001 0.000 0.238 291 S C 1.360 175.969 174.600 0.016 0.000 1.028 291 S CA 1.160 59.372 58.200 0.019 0.000 1.000 291 S CB -0.563 62.648 63.200 0.018 0.000 0.797 291 S HN 0.292 nan 8.310 nan 0.000 0.487 292 C N 2.251 121.561 119.300 0.017 0.000 2.638 292 C HA 0.573 5.033 4.460 0.001 0.000 0.282 292 C C 0.388 175.387 174.990 0.014 0.000 1.473 292 C CA -0.944 58.083 59.018 0.015 0.000 1.781 292 C CB -1.365 26.385 27.740 0.015 0.000 2.780 292 C HN 0.409 nan 8.230 nan 0.000 0.531 293 S N 0.762 116.468 115.700 0.011 0.000 2.449 293 S HA 0.300 4.771 4.470 0.001 0.000 0.310 293 S C 0.660 175.261 174.600 0.002 0.000 1.096 293 S CA -0.352 57.853 58.200 0.007 0.000 1.095 293 S CB 1.833 65.034 63.200 0.003 0.000 1.007 293 S HN 0.513 nan 8.310 nan 0.000 0.474 294 Q N 3.323 123.126 119.800 0.004 0.000 2.440 294 Q HA -0.268 4.072 4.340 0.001 0.000 0.228 294 Q C 0.953 176.952 176.000 -0.002 0.000 1.100 294 Q CA 2.593 58.397 55.803 0.003 0.000 0.991 294 Q CB -0.744 27.996 28.738 0.004 0.000 1.027 294 Q HN 0.986 nan 8.270 nan 0.000 0.528 295 G N -3.013 105.781 108.800 -0.009 0.000 4.855 295 G HA2 0.483 4.443 3.960 0.001 0.000 0.275 295 G HA3 0.483 4.443 3.960 0.001 0.000 0.275 295 G C 0.349 175.231 174.900 -0.030 0.000 1.282 295 G CA 0.182 45.274 45.100 -0.013 0.000 0.930 295 G HN 1.060 nan 8.290 nan 0.000 0.575 296 G N -0.882 107.898 108.800 -0.033 0.000 2.148 296 G HA2 -0.204 3.756 3.960 0.001 0.000 0.254 296 G HA3 -0.204 3.756 3.960 0.001 0.000 0.254 296 G C 0.844 175.674 174.900 -0.117 0.000 0.981 296 G CA 1.096 46.162 45.100 -0.056 0.000 0.670 296 G HN 1.622 nan 8.290 nan 0.000 0.528 297 V N -4.389 115.465 119.914 -0.099 0.000 3.079 297 V HA 0.433 4.554 4.120 0.001 0.000 0.232 297 V C 0.935 177.003 176.094 -0.043 0.000 1.594 297 V CA 0.799 63.022 62.300 -0.129 0.000 1.153 297 V CB -0.075 31.628 31.823 -0.200 0.000 1.049 297 V HN 0.360 nan 8.190 nan 0.000 0.448 298 R N 2.086 122.574 120.500 -0.020 0.000 2.272 298 R HA 0.535 4.875 4.340 0.001 0.000 0.334 298 R C 0.358 176.669 176.300 0.017 0.000 1.117 298 R CA 1.183 57.286 56.100 0.006 0.000 0.966 298 R CB -0.123 30.182 30.300 0.008 0.000 1.049 298 R HN 1.058 nan 8.270 nan 0.000 0.477 299 G N 1.801 110.619 108.800 0.030 0.000 2.612 299 G HA2 0.208 4.168 3.960 0.001 0.000 0.686 299 G HA3 0.208 4.168 3.960 0.001 0.000 0.686 299 G C -0.105 174.818 174.900 0.039 0.000 1.274 299 G CA -0.436 44.687 45.100 0.038 0.000 0.849 299 G HN 1.110 nan 8.290 nan 0.000 0.595 300 G N -1.328 107.500 108.800 0.047 0.000 3.414 300 G HA2 0.522 4.482 3.960 0.001 0.000 0.504 300 G HA3 0.522 4.482 3.960 0.001 0.000 0.504 300 G C 0.243 175.177 174.900 0.057 0.000 0.936 300 G CA 0.968 46.097 45.100 0.049 0.000 0.748 300 G HN 2.729 nan 8.290 nan 0.000 0.408 301 A N 1.636 124.492 122.820 0.061 0.000 2.449 301 A HA 1.181 5.502 4.320 0.001 0.000 0.302 301 A C 0.159 177.773 177.584 0.049 0.000 1.048 301 A CA 0.227 52.305 52.037 0.067 0.000 0.708 301 A CB 1.895 20.949 19.000 0.090 0.000 1.274 301 A HN 2.687 nan 8.150 nan 0.000 0.410 302 A N 0.738 123.579 122.820 0.034 0.000 2.572 302 A HA 0.885 5.206 4.320 0.001 0.000 0.295 302 A C -0.538 177.018 177.584 -0.047 0.000 1.072 302 A CA -0.472 51.563 52.037 -0.003 0.000 0.691 302 A CB 1.476 20.461 19.000 -0.026 0.000 1.291 302 A HN 0.930 nan 8.150 nan 0.000 0.404 303 T N 1.562 116.082 114.554 -0.057 0.000 2.824 303 T HA 0.577 4.927 4.350 0.001 0.000 0.282 303 T C -0.808 173.725 174.700 -0.279 0.000 0.993 303 T CA -0.199 61.787 62.100 -0.189 0.000 0.967 303 T CB 1.037 69.861 68.868 -0.073 0.000 0.960 303 T HN 0.629 nan 8.240 nan 0.000 0.441 304 L N 3.483 124.433 121.223 -0.456 0.000 2.329 304 L HA 0.757 5.097 4.340 0.001 0.000 0.279 304 L C -1.556 175.131 176.870 -0.305 0.000 1.014 304 L CA -0.801 53.881 54.840 -0.262 0.000 0.814 304 L CB 0.841 42.763 42.059 -0.229 0.000 1.257 304 L HN 0.546 nan 8.230 nan 0.000 0.424 305 F N 4.112 124.097 119.950 0.059 0.000 2.480 305 F HA 0.592 5.119 4.527 0.001 0.000 0.329 305 F C -0.618 175.291 175.800 0.182 0.000 1.091 305 F CA -0.380 57.649 58.000 0.049 0.000 0.972 305 F CB 1.614 40.656 39.000 0.069 0.000 1.150 305 F HN 0.369 nan 8.300 nan 0.000 0.467 306 Y N 1.004 121.505 120.300 0.336 0.000 2.581 306 Y HA 0.700 5.250 4.550 0.001 0.000 0.337 306 Y C -3.388 172.615 175.900 0.171 0.000 1.108 306 Y CA -3.738 54.511 58.100 0.247 0.000 1.033 306 Y CB 0.789 39.337 38.460 0.145 0.000 1.318 306 Y HN 0.224 nan 8.280 nan 0.000 0.459 307 P HA 0.116 nan 4.420 nan 0.000 0.278 307 P C 0.596 177.804 177.300 -0.155 0.000 1.238 307 P CA -0.389 62.610 63.100 -0.170 0.000 0.794 307 P CB 1.518 32.606 31.700 -1.019 0.000 0.955 308 M N 3.238 122.770 119.600 -0.114 0.000 2.267 308 M HA -0.082 4.398 4.480 0.001 0.000 0.263 308 M C 0.950 177.277 176.300 0.046 0.000 1.063 308 M CA 1.733 57.024 55.300 -0.014 0.000 1.090 308 M CB -0.346 32.211 32.600 -0.073 0.000 1.392 308 M HN 0.460 nan 8.290 nan 0.000 0.422 309 W N -0.745 120.596 121.300 0.068 0.000 3.290 309 W HA 0.160 4.821 4.660 0.001 0.000 0.287 309 W C 0.215 176.845 176.519 0.185 0.000 1.288 309 W CA -0.548 56.879 57.345 0.137 0.000 1.725 309 W CB -1.381 28.208 29.460 0.215 0.000 1.103 309 W HN 0.103 nan 8.180 nan 0.000 0.670 310 H N 2.434 121.464 119.070 -0.067 0.000 2.897 310 H HA -0.068 4.488 4.556 0.001 0.000 0.347 310 H C 1.094 176.461 175.328 0.063 0.000 1.068 310 H CA 0.621 56.653 56.048 -0.026 0.000 1.426 310 H CB 1.762 31.448 29.762 -0.125 0.000 1.410 310 H HN 0.077 nan 8.280 nan 0.000 0.597 311 L N 4.387 125.604 121.223 -0.012 0.000 2.079 311 L HA -0.159 4.181 4.340 0.001 0.000 0.210 311 L C 1.708 178.645 176.870 0.111 0.000 1.081 311 L CA 1.838 56.702 54.840 0.041 0.000 0.752 311 L CB -0.269 41.765 42.059 -0.041 0.000 0.896 311 L HN 0.710 nan 8.230 nan 0.000 0.433 312 E N -1.404 118.971 120.200 0.292 0.000 2.465 312 E HA -0.055 4.295 4.350 0.001 0.000 0.191 312 E C 2.062 178.606 176.600 -0.094 0.000 1.053 312 E CA 0.304 56.735 56.400 0.051 0.000 0.869 312 E CB 0.146 29.824 29.700 -0.036 0.000 0.977 312 E HN 0.410 nan 8.360 nan 0.000 0.483 313 V N 1.457 121.347 119.914 -0.041 0.000 2.380 313 V HA -0.342 3.778 4.120 0.001 0.000 0.251 313 V C 1.764 177.784 176.094 -0.124 0.000 1.063 313 V CA 2.140 64.365 62.300 -0.124 0.000 1.055 313 V CB -0.080 31.756 31.823 0.021 0.000 0.657 313 V HN 0.291 nan 8.190 nan 0.000 0.455 314 E N -0.174 119.979 120.200 -0.079 0.000 2.110 314 E HA -0.154 4.196 4.350 0.001 0.000 0.193 314 E C 2.331 178.867 176.600 -0.106 0.000 0.988 314 E CA 1.535 57.891 56.400 -0.072 0.000 0.804 314 E CB -0.211 29.460 29.700 -0.049 0.000 0.745 314 E HN 0.665 nan 8.360 nan 0.000 0.458 315 S N 1.007 116.625 115.700 -0.137 0.000 2.387 315 S HA -0.042 4.428 4.470 0.001 0.000 0.226 315 S C 2.062 176.518 174.600 -0.240 0.000 1.026 315 S CA 0.603 58.703 58.200 -0.167 0.000 0.972 315 S CB -0.109 62.990 63.200 -0.168 0.000 0.814 315 S HN 0.170 nan 8.310 nan 0.000 0.477 316 L N 0.908 121.927 121.223 -0.340 0.000 2.046 316 L HA -0.075 4.265 4.340 0.001 0.000 0.208 316 L C 2.131 178.794 176.870 -0.346 0.000 1.077 316 L CA 0.624 55.169 54.840 -0.492 0.000 0.747 316 L CB -0.647 40.837 42.059 -0.959 0.000 0.896 316 L HN 0.261 nan 8.230 nan 0.000 0.432 317 L N 0.061 121.176 121.223 -0.180 0.000 2.127 317 L HA -0.141 4.199 4.340 0.001 0.000 0.211 317 L C 2.220 179.026 176.870 -0.107 0.000 1.089 317 L CA 1.674 56.476 54.840 -0.064 0.000 0.757 317 L CB -0.782 41.260 42.059 -0.028 0.000 0.899 317 L HN 0.284 nan 8.230 nan 0.000 0.434 318 V N -5.248 114.586 119.914 -0.134 0.000 3.542 318 V HA 0.112 4.232 4.120 0.001 0.000 0.296 318 V C 1.943 177.964 176.094 -0.122 0.000 1.364 318 V CA 0.066 62.303 62.300 -0.106 0.000 1.118 318 V CB -0.445 31.329 31.823 -0.081 0.000 0.972 318 V HN 0.221 nan 8.190 nan 0.000 0.430 319 L N 1.297 122.401 121.223 -0.197 0.000 2.187 319 L HA -0.110 4.231 4.340 0.001 0.000 0.213 319 L C 2.459 179.294 176.870 -0.059 0.000 1.100 319 L CA 2.125 56.861 54.840 -0.172 0.000 0.765 319 L CB -0.323 41.539 42.059 -0.329 0.000 0.904 319 L HN 0.576 nan 8.230 nan 0.000 0.437 320 K N -1.692 118.687 120.400 -0.035 0.000 2.399 320 K HA 0.132 4.453 4.320 0.001 0.000 0.204 320 K C 0.185 176.766 176.600 -0.031 0.000 1.023 320 K CA -0.344 55.942 56.287 -0.002 0.000 1.127 320 K CB -0.019 32.518 32.500 0.061 0.000 0.856 320 K HN 0.096 nan 8.250 nan 0.000 0.514 321 N N 2.582 121.258 118.700 -0.039 0.000 2.359 321 N HA -0.034 4.707 4.740 0.001 0.000 0.261 321 N C 0.056 175.545 175.510 -0.035 0.000 1.267 321 N CA 0.354 53.383 53.050 -0.036 0.000 0.864 321 N CB 0.523 38.987 38.487 -0.039 0.000 1.063 321 N HN 0.345 nan 8.380 nan 0.000 0.474 322 N N 1.542 120.225 118.700 -0.029 0.000 2.223 322 N HA -0.121 4.619 4.740 0.001 0.000 0.185 322 N C 0.581 176.079 175.510 -0.019 0.000 1.016 322 N CA 0.726 53.762 53.050 -0.023 0.000 0.863 322 N CB 0.212 38.689 38.487 -0.016 0.000 0.983 322 N HN 0.385 nan 8.380 nan 0.000 0.429 323 R N 0.658 121.146 120.500 -0.021 0.000 2.265 323 R HA 0.399 4.739 4.340 0.001 0.000 0.314 323 R C -0.407 175.878 176.300 -0.024 0.000 1.053 323 R CA 0.111 56.199 56.100 -0.020 0.000 0.931 323 R CB 0.516 30.805 30.300 -0.019 0.000 1.024 323 R HN 0.201 nan 8.270 nan 0.000 0.457 324 G N 1.349 110.136 108.800 -0.022 0.000 2.353 324 G HA2 -0.008 3.952 3.960 0.001 0.000 0.308 324 G HA3 -0.008 3.952 3.960 0.001 0.000 0.308 324 G C -1.702 173.184 174.900 -0.024 0.000 1.418 324 G CA -0.789 44.294 45.100 -0.027 0.000 0.966 324 G HN 0.537 nan 8.290 nan 0.000 0.638 325 V N 0.158 120.056 119.914 -0.027 0.000 2.775 325 V HA 0.423 4.544 4.120 0.001 0.000 0.299 325 V C 1.699 177.779 176.094 -0.024 0.000 1.062 325 V CA 0.649 62.935 62.300 -0.024 0.000 1.063 325 V CB 1.576 33.383 31.823 -0.026 0.000 0.994 325 V HN 0.934 nan 8.190 nan 0.000 0.483 326 E N 3.636 123.826 120.200 -0.016 0.000 2.265 326 E HA -0.027 4.323 4.350 0.001 0.000 0.196 326 E C 1.752 178.343 176.600 -0.014 0.000 0.996 326 E CA 1.392 57.787 56.400 -0.009 0.000 0.832 326 E CB -0.319 29.381 29.700 -0.000 0.000 0.756 326 E HN 0.863 nan 8.360 nan 0.000 0.491 327 G N -0.836 107.947 108.800 -0.028 0.000 3.141 327 G HA2 -0.042 3.919 3.960 0.001 0.000 0.218 327 G HA3 -0.042 3.919 3.960 0.001 0.000 0.218 327 G C 0.666 175.532 174.900 -0.057 0.000 1.170 327 G CA -0.152 44.923 45.100 -0.042 0.000 0.769 327 G HN 0.211 nan 8.290 nan 0.000 0.546 328 N N -0.300 118.369 118.700 -0.052 0.000 2.177 328 N HA 0.156 4.896 4.740 0.001 0.000 0.218 328 N C -0.264 175.209 175.510 -0.062 0.000 1.182 328 N CA -0.333 52.676 53.050 -0.068 0.000 0.882 328 N CB 0.784 39.232 38.487 -0.065 0.000 1.052 328 N HN -0.088 nan 8.380 nan 0.000 0.519 329 R N 1.158 121.637 120.500 -0.034 0.000 2.561 329 R HA 0.426 4.767 4.340 0.001 0.000 0.297 329 R C -1.102 175.216 176.300 0.030 0.000 0.969 329 R CA -0.586 55.504 56.100 -0.017 0.000 0.879 329 R CB 2.084 32.373 30.300 -0.018 0.000 1.178 329 R HN -0.208 nan 8.270 nan 0.000 0.445 330 V N 4.471 124.428 119.914 0.072 0.000 2.465 330 V HA 0.337 4.458 4.120 0.001 0.000 0.263 330 V C 1.102 177.308 176.094 0.187 0.000 0.981 330 V CA -0.477 61.926 62.300 0.172 0.000 0.838 330 V CB 1.067 33.070 31.823 0.301 0.000 1.068 330 V HN 0.645 nan 8.190 nan 0.000 0.458 331 R N 0.172 120.682 120.500 0.017 0.000 2.246 331 R HA 0.141 4.481 4.340 0.001 0.000 0.199 331 R C 0.732 176.881 176.300 -0.253 0.000 0.984 331 R CA 0.537 56.547 56.100 -0.150 0.000 1.015 331 R CB 0.213 30.317 30.300 -0.327 0.000 0.930 331 R HN 0.679 nan 8.270 nan 0.000 0.475 332 H N -0.586 118.552 119.070 0.112 0.000 2.488 332 H HA 0.317 4.873 4.556 0.001 0.000 0.294 332 H C 0.102 175.453 175.328 0.039 0.000 1.088 332 H CA 0.130 56.221 56.048 0.072 0.000 1.086 332 H CB 0.271 30.072 29.762 0.065 0.000 1.569 332 H HN 0.025 nan 8.280 nan 0.000 0.548 333 M N 0.497 120.129 119.600 0.053 0.000 2.644 333 M HA 0.249 4.729 4.480 0.001 0.000 0.304 333 M C -0.587 175.505 176.300 -0.347 0.000 1.215 333 M CA -0.856 54.353 55.300 -0.151 0.000 0.871 333 M CB 2.436 34.880 32.600 -0.260 0.000 1.740 333 M HN -0.049 nan 8.290 nan 0.000 0.464 334 D N 0.233 120.407 120.400 -0.376 0.000 2.387 334 D HA 0.519 5.159 4.640 0.001 0.000 0.255 334 D C -1.441 174.378 176.300 -0.801 0.000 1.081 334 D CA 0.206 53.970 54.000 -0.393 0.000 0.994 334 D CB 0.968 41.727 40.800 -0.070 0.000 1.127 334 D HN 0.301 nan 8.370 nan 0.000 0.513 335 Y N -1.241 118.906 120.300 -0.256 0.000 2.512 335 Y HA 0.544 5.094 4.550 0.001 0.000 0.348 335 Y C 0.611 176.284 175.900 -0.378 0.000 0.990 335 Y CA -1.099 56.840 58.100 -0.269 0.000 1.033 335 Y CB 2.549 40.970 38.460 -0.065 0.000 1.259 335 Y HN 0.347 nan 8.280 nan 0.000 0.461 336 G N 1.568 110.099 108.800 -0.448 0.000 2.605 336 G HA2 0.532 4.492 3.960 0.001 0.000 0.304 336 G HA3 0.532 4.492 3.960 0.001 0.000 0.304 336 G C -1.595 173.124 174.900 -0.302 0.000 1.333 336 G CA -0.605 44.290 45.100 -0.342 0.000 0.973 336 G HN 0.437 nan 8.290 nan 0.000 0.507 337 V N 2.842 122.637 119.914 -0.199 0.000 2.461 337 V HA 0.242 4.362 4.120 0.001 0.000 0.275 337 V C 0.222 176.320 176.094 0.006 0.000 1.047 337 V CA -0.399 61.753 62.300 -0.246 0.000 0.955 337 V CB 1.133 32.865 31.823 -0.151 0.000 0.988 337 V HN 0.733 nan 8.190 nan 0.000 0.471 338 Q N 5.045 124.883 119.800 0.064 0.000 2.278 338 Q HA 0.678 5.018 4.340 0.001 0.000 0.257 338 Q C -0.888 175.246 176.000 0.224 0.000 0.928 338 Q CA -0.125 55.791 55.803 0.187 0.000 0.932 338 Q CB 1.808 30.739 28.738 0.323 0.000 1.221 338 Q HN 0.657 nan 8.270 nan 0.000 0.434 339 I N 1.837 122.478 120.570 0.118 0.000 2.730 339 I HA 0.464 4.635 4.170 0.001 0.000 0.298 339 I C -0.470 175.625 176.117 -0.038 0.000 1.089 339 I CA -1.136 60.195 61.300 0.052 0.000 1.041 339 I CB 1.957 39.861 38.000 -0.159 0.000 1.235 339 I HN 0.648 nan 8.210 nan 0.000 0.423 340 N N 3.336 122.010 118.700 -0.042 0.000 3.038 340 N HA 0.339 5.080 4.740 0.001 0.000 0.307 340 N C 0.182 175.701 175.510 0.016 0.000 1.441 340 N CA -0.998 52.000 53.050 -0.087 0.000 0.772 340 N CB 1.114 39.389 38.487 -0.354 0.000 1.651 340 N HN 0.540 nan 8.380 nan 0.000 0.593 341 K N -0.925 119.496 120.400 0.036 0.000 2.032 341 K HA -0.100 4.220 4.320 0.001 0.000 0.209 341 K C 1.654 178.277 176.600 0.039 0.000 1.048 341 K CA 1.197 57.489 56.287 0.008 0.000 0.927 341 K CB -0.303 32.257 32.500 0.101 0.000 0.712 341 K HN 0.406 nan 8.250 nan 0.000 0.441 342 L N 1.200 122.459 121.223 0.060 0.000 2.013 342 L HA -0.235 4.106 4.340 0.001 0.000 0.212 342 L C 2.146 179.058 176.870 0.070 0.000 1.073 342 L CA 1.765 56.653 54.840 0.081 0.000 0.753 342 L CB -0.463 41.679 42.059 0.139 0.000 0.890 342 L HN 0.295 nan 8.230 nan 0.000 0.432 343 M N -1.847 117.789 119.600 0.060 0.000 2.080 343 M HA -0.258 4.223 4.480 0.001 0.000 0.260 343 M C 2.424 178.791 176.300 0.111 0.000 1.068 343 M CA 1.812 57.170 55.300 0.097 0.000 1.109 343 M CB -1.452 31.170 32.600 0.036 0.000 1.342 343 M HN 0.245 nan 8.290 nan 0.000 0.405 344 Y N 0.749 121.068 120.300 0.032 0.000 2.242 344 Y HA -0.132 4.418 4.550 0.001 0.000 0.291 344 Y C 2.739 178.534 175.900 -0.175 0.000 1.137 344 Y CA 1.569 59.561 58.100 -0.179 0.000 1.181 344 Y CB -1.334 36.902 38.460 -0.372 0.000 0.989 344 Y HN 0.287 nan 8.280 nan 0.000 0.527 345 T N -0.004 114.584 114.554 0.056 0.000 2.746 345 T HA -0.148 4.202 4.350 0.001 0.000 0.267 345 T C 2.005 176.722 174.700 0.028 0.000 1.039 345 T CA 1.103 63.219 62.100 0.027 0.000 1.142 345 T CB -0.078 68.813 68.868 0.039 0.000 0.866 345 T HN 0.172 nan 8.240 nan 0.000 0.444 346 R N 0.794 121.329 120.500 0.059 0.000 2.105 346 R HA 0.031 4.371 4.340 0.001 0.000 0.239 346 R C 2.318 178.640 176.300 0.036 0.000 1.135 346 R CA 0.732 56.877 56.100 0.075 0.000 0.967 346 R CB -1.265 29.117 30.300 0.138 0.000 0.861 346 R HN 0.328 nan 8.270 nan 0.000 0.442 347 L N 1.035 122.236 121.223 -0.036 0.000 1.994 347 L HA -0.113 4.227 4.340 0.001 0.000 0.208 347 L C 2.206 179.017 176.870 -0.098 0.000 1.071 347 L CA 1.638 56.384 54.840 -0.156 0.000 0.745 347 L CB -0.683 41.041 42.059 -0.559 0.000 0.892 347 L HN 0.066 nan 8.230 nan 0.000 0.431 348 L N -0.709 120.464 121.223 -0.084 0.000 2.046 348 L HA -0.219 4.121 4.340 0.001 0.000 0.208 348 L C 2.300 179.155 176.870 -0.024 0.000 1.077 348 L CA 1.457 56.265 54.840 -0.054 0.000 0.747 348 L CB -0.571 41.461 42.059 -0.046 0.000 0.896 348 L HN 0.230 nan 8.230 nan 0.000 0.432 349 K N 0.098 120.493 120.400 -0.008 0.000 2.487 349 K HA 0.087 4.408 4.320 0.001 0.000 0.192 349 K C 1.067 177.674 176.600 0.011 0.000 1.027 349 K CA 0.512 56.803 56.287 0.006 0.000 1.054 349 K CB 0.068 32.578 32.500 0.017 0.000 0.824 349 K HN 0.406 nan 8.250 nan 0.000 0.510 350 G N 2.181 110.986 108.800 0.008 0.000 2.249 350 G HA2 -0.299 3.661 3.960 0.001 0.000 0.273 350 G HA3 -0.299 3.661 3.960 0.001 0.000 0.273 350 G C -0.238 174.680 174.900 0.030 0.000 1.036 350 G CA 0.537 45.647 45.100 0.017 0.000 0.824 350 G HN 0.413 nan 8.290 nan 0.000 0.504 351 E N -0.468 119.757 120.200 0.041 0.000 2.700 351 E HA 0.495 4.846 4.350 0.001 0.000 0.253 351 E C -0.252 176.391 176.600 0.071 0.000 1.175 351 E CA -0.896 55.535 56.400 0.052 0.000 1.010 351 E CB 0.633 30.369 29.700 0.058 0.000 1.284 351 E HN 0.203 nan 8.360 nan 0.000 0.557 352 D N 0.149 120.594 120.400 0.075 0.000 2.277 352 D HA 0.380 5.021 4.640 0.001 0.000 0.250 352 D C -0.564 175.816 176.300 0.134 0.000 1.032 352 D CA -0.185 53.866 54.000 0.085 0.000 0.947 352 D CB 1.071 41.901 40.800 0.051 0.000 1.159 352 D HN 0.193 nan 8.370 nan 0.000 0.460 353 I N 0.821 121.479 120.570 0.146 0.000 2.378 353 I HA 0.139 4.309 4.170 0.001 0.000 0.291 353 I C 0.057 176.264 176.117 0.149 0.000 0.992 353 I CA -0.373 61.058 61.300 0.218 0.000 1.154 353 I CB 1.734 39.869 38.000 0.225 0.000 1.315 353 I HN 0.041 nan 8.210 nan 0.000 0.448 354 T N 7.118 121.769 114.554 0.162 0.000 2.845 354 T HA 0.527 4.878 4.350 0.001 0.000 0.288 354 T C -0.106 174.525 174.700 -0.114 0.000 0.980 354 T CA -0.443 61.579 62.100 -0.129 0.000 1.071 354 T CB 0.710 69.338 68.868 -0.401 0.000 0.941 354 T HN 0.260 nan 8.240 nan 0.000 0.487 355 L N 3.382 124.440 121.223 -0.274 0.000 2.309 355 L HA 0.672 5.012 4.340 0.001 0.000 0.282 355 L C -0.844 175.805 176.870 -0.369 0.000 1.036 355 L CA -0.809 53.981 54.840 -0.084 0.000 0.806 355 L CB 0.803 42.859 42.059 -0.004 0.000 1.220 355 L HN 0.566 nan 8.230 nan 0.000 0.429 356 F N -0.243 119.835 119.950 0.212 0.000 2.588 356 F HA 0.359 4.886 4.527 0.001 0.000 0.314 356 F C 0.440 176.264 175.800 0.040 0.000 1.069 356 F CA -0.787 57.270 58.000 0.094 0.000 0.931 356 F CB 2.135 41.161 39.000 0.042 0.000 1.260 356 F HN 0.325 nan 8.300 nan 0.000 0.465 357 S N 2.267 118.037 115.700 0.116 0.000 2.528 357 S HA 0.225 4.696 4.470 0.001 0.000 0.277 357 S C -1.740 172.906 174.600 0.077 0.000 1.297 357 S CA -1.226 56.933 58.200 -0.068 0.000 1.052 357 S CB 0.967 64.132 63.200 -0.058 0.000 0.917 357 S HN 0.352 nan 8.310 nan 0.000 0.492 358 P HA -0.114 nan 4.420 nan 0.000 0.219 358 P C 1.514 178.841 177.300 0.044 0.000 1.146 358 P CA 1.226 64.439 63.100 0.188 0.000 0.808 358 P CB -0.093 31.663 31.700 0.093 0.000 0.779 359 S N -1.358 114.327 115.700 -0.025 0.000 2.442 359 S HA -0.136 4.335 4.470 0.001 0.000 0.236 359 S C 1.340 175.892 174.600 -0.081 0.000 1.007 359 S CA 1.270 59.430 58.200 -0.066 0.000 0.965 359 S CB -0.939 62.208 63.200 -0.088 0.000 0.773 359 S HN 0.112 nan 8.310 nan 0.000 0.504 360 D N 1.290 121.637 120.400 -0.088 0.000 2.339 360 D HA 0.141 4.781 4.640 0.001 0.000 0.217 360 D C 0.408 176.506 176.300 -0.337 0.000 1.050 360 D CA 0.362 54.275 54.000 -0.146 0.000 0.856 360 D CB 0.866 41.621 40.800 -0.075 0.000 0.922 360 D HN 0.526 nan 8.370 nan 0.000 0.518 361 V N -1.210 118.481 119.914 -0.372 0.000 2.383 361 V HA 0.423 4.544 4.120 0.001 0.000 0.261 361 V C -2.958 172.928 176.094 -0.348 0.000 0.987 361 V CA -2.254 59.601 62.300 -0.741 0.000 0.853 361 V CB 0.959 32.296 31.823 -0.810 0.000 1.095 361 V HN -0.285 nan 8.190 nan 0.000 0.461 362 P HA 0.286 nan 4.420 nan 0.000 0.261 362 P C 1.313 178.696 177.300 0.139 0.000 1.183 362 P CA 2.020 65.129 63.100 0.014 0.000 0.761 362 P CB 0.792 32.514 31.700 0.037 0.000 0.785 363 G N 2.757 111.647 108.800 0.151 0.000 2.234 363 G HA2 -0.334 3.626 3.960 0.001 0.000 0.260 363 G HA3 -0.334 3.626 3.960 0.001 0.000 0.260 363 G C 0.891 175.932 174.900 0.235 0.000 0.987 363 G CA 0.209 45.419 45.100 0.184 0.000 0.625 363 G HN 0.528 nan 8.290 nan 0.000 0.532 364 L N -0.782 120.576 121.223 0.225 0.000 2.017 364 L HA -0.056 4.284 4.340 0.001 0.000 0.208 364 L C 2.430 179.567 176.870 0.444 0.000 1.073 364 L CA 2.796 57.748 54.840 0.186 0.000 0.745 364 L CB -0.512 41.485 42.059 -0.103 0.000 0.894 364 L HN 0.468 nan 8.230 nan 0.000 0.432 365 Y N 1.130 121.702 120.300 0.453 0.000 2.128 365 Y HA -0.320 4.231 4.550 0.001 0.000 0.284 365 Y C 2.341 178.651 175.900 0.682 0.000 1.154 365 Y CA 2.096 60.621 58.100 0.708 0.000 1.149 365 Y CB -0.226 38.592 38.460 0.596 0.000 0.976 365 Y HN 0.300 nan 8.280 nan 0.000 0.505 366 D N -0.062 120.669 120.400 0.552 0.000 2.097 366 D HA -0.184 4.456 4.640 0.001 0.000 0.195 366 D C 2.250 178.754 176.300 0.340 0.000 0.989 366 D CA 1.619 55.858 54.000 0.399 0.000 0.827 366 D CB -0.647 40.329 40.800 0.293 0.000 0.966 366 D HN 0.466 nan 8.370 nan 0.000 0.456 367 A N 0.089 123.110 122.820 0.334 0.000 2.015 367 A HA -0.130 4.190 4.320 0.001 0.000 0.219 367 A C 1.984 179.733 177.584 0.275 0.000 1.163 367 A CA 0.591 52.802 52.037 0.291 0.000 0.646 367 A CB -0.845 18.334 19.000 0.298 0.000 0.806 367 A HN 0.219 nan 8.150 nan 0.000 0.448 368 F N -0.041 119.957 119.950 0.081 0.000 2.161 368 F HA -0.153 4.374 4.527 0.001 0.000 0.300 368 F C 1.621 177.083 175.800 -0.563 0.000 1.089 368 F CA 1.443 59.169 58.000 -0.458 0.000 1.282 368 F CB -0.384 38.380 39.000 -0.392 0.000 1.010 368 F HN 0.246 nan 8.300 nan 0.000 0.485 369 F N -0.530 119.313 119.950 -0.178 0.000 2.274 369 F HA 0.218 4.745 4.527 0.001 0.000 0.288 369 F C 2.461 178.179 175.800 -0.136 0.000 1.069 369 F CA 0.931 58.778 58.000 -0.256 0.000 1.343 369 F CB -1.219 37.663 39.000 -0.198 0.000 1.089 369 F HN -0.063 nan 8.300 nan 0.000 0.517 370 A N -1.928 120.971 122.820 0.133 0.000 2.147 370 A HA 0.081 4.402 4.320 0.001 0.000 0.211 370 A C -0.036 177.585 177.584 0.063 0.000 1.160 370 A CA 0.909 53.001 52.037 0.092 0.000 0.781 370 A CB 0.003 19.066 19.000 0.105 0.000 0.842 370 A HN 0.223 nan 8.150 nan 0.000 0.475 371 D N -1.217 119.222 120.400 0.065 0.000 2.312 371 D HA 0.154 4.794 4.640 0.001 0.000 0.229 371 D C 0.207 176.563 176.300 0.094 0.000 1.337 371 D CA -0.251 53.791 54.000 0.070 0.000 0.964 371 D CB 0.702 41.551 40.800 0.082 0.000 1.456 371 D HN -0.056 nan 8.370 nan 0.000 0.547 372 Q N 1.275 121.114 119.800 0.065 0.000 2.230 372 Q HA -0.065 4.275 4.340 0.001 0.000 0.202 372 Q C 1.302 177.387 176.000 0.141 0.000 0.963 372 Q CA 1.030 56.889 55.803 0.093 0.000 0.866 372 Q CB 0.393 29.159 28.738 0.046 0.000 0.931 372 Q HN 0.642 nan 8.270 nan 0.000 0.452 373 E N 0.625 120.880 120.200 0.092 0.000 2.072 373 E HA -0.175 4.175 4.350 0.001 0.000 0.190 373 E C 1.831 178.470 176.600 0.065 0.000 0.982 373 E CA 0.853 57.294 56.400 0.069 0.000 0.803 373 E CB -0.080 29.644 29.700 0.040 0.000 0.755 373 E HN 0.280 nan 8.360 nan 0.000 0.453 374 E N 1.088 121.332 120.200 0.074 0.000 2.077 374 E HA -0.183 4.167 4.350 0.001 0.000 0.193 374 E C 1.806 178.446 176.600 0.067 0.000 0.989 374 E CA 0.770 57.203 56.400 0.055 0.000 0.800 374 E CB -0.454 29.287 29.700 0.068 0.000 0.746 374 E HN 0.218 nan 8.360 nan 0.000 0.452 375 F N 1.307 121.259 119.950 0.003 0.000 2.069 375 F HA -0.167 4.360 4.527 0.001 0.000 0.298 375 F C 2.266 178.057 175.800 -0.014 0.000 1.113 375 F CA 2.266 60.266 58.000 -0.001 0.000 1.214 375 F CB -0.450 38.567 39.000 0.029 0.000 0.978 375 F HN 0.113 nan 8.300 nan 0.000 0.474 376 E N 0.045 120.290 120.200 0.076 0.000 2.070 376 E HA -0.319 4.032 4.350 0.001 0.000 0.197 376 E C 2.521 179.067 176.600 -0.090 0.000 1.004 376 E CA 1.795 58.193 56.400 -0.003 0.000 0.805 376 E CB -0.310 29.429 29.700 0.064 0.000 0.744 376 E HN 0.358 nan 8.360 nan 0.000 0.451 377 R N 0.090 120.536 120.500 -0.091 0.000 2.081 377 R HA -0.139 4.202 4.340 0.001 0.000 0.235 377 R C 2.402 178.544 176.300 -0.263 0.000 1.131 377 R CA 1.355 57.374 56.100 -0.135 0.000 0.960 377 R CB -0.202 30.040 30.300 -0.097 0.000 0.856 377 R HN 0.246 nan 8.270 nan 0.000 0.436 378 L N -0.661 120.361 121.223 -0.335 0.000 2.109 378 L HA -0.146 4.194 4.340 0.001 0.000 0.207 378 L C 2.326 178.774 176.870 -0.703 0.000 1.086 378 L CA 0.967 55.442 54.840 -0.608 0.000 0.760 378 L CB -0.552 41.251 42.059 -0.427 0.000 0.910 378 L HN 0.219 nan 8.230 nan 0.000 0.437 379 Y N 1.288 121.177 120.300 -0.685 0.000 2.109 379 Y HA -0.310 4.241 4.550 0.001 0.000 0.285 379 Y C 3.032 178.737 175.900 -0.324 0.000 1.131 379 Y CA 2.261 59.985 58.100 -0.627 0.000 1.121 379 Y CB -0.536 37.411 38.460 -0.855 0.000 0.987 379 Y HN 0.294 nan 8.280 nan 0.000 0.495 380 T N -1.370 113.101 114.554 -0.138 0.000 2.720 380 T HA -0.289 4.061 4.350 0.001 0.000 0.268 380 T C 1.950 176.544 174.700 -0.177 0.000 1.037 380 T CA 1.809 63.841 62.100 -0.113 0.000 1.144 380 T CB -0.593 68.246 68.868 -0.048 0.000 0.864 380 T HN 0.394 nan 8.240 nan 0.000 0.444 381 K N 0.001 120.234 120.400 -0.278 0.000 2.032 381 K HA -0.178 4.143 4.320 0.001 0.000 0.209 381 K C 2.093 178.543 176.600 -0.250 0.000 1.048 381 K CA 1.589 57.688 56.287 -0.313 0.000 0.927 381 K CB -0.449 31.768 32.500 -0.471 0.000 0.712 381 K HN 0.408 nan 8.250 nan 0.000 0.441 382 Y N 1.520 121.666 120.300 -0.256 0.000 2.373 382 Y HA -0.034 4.516 4.550 0.001 0.000 0.293 382 Y C 1.981 177.844 175.900 -0.061 0.000 1.129 382 Y CA 0.872 58.808 58.100 -0.274 0.000 1.226 382 Y CB -0.310 37.742 38.460 -0.680 0.000 1.000 382 Y HN 0.249 nan 8.280 nan 0.000 0.549 383 E N -0.102 120.122 120.200 0.041 0.000 2.110 383 E HA -0.192 4.159 4.350 0.001 0.000 0.193 383 E C 1.737 178.344 176.600 0.012 0.000 0.988 383 E CA 1.065 57.485 56.400 0.033 0.000 0.804 383 E CB 0.015 29.651 29.700 -0.106 0.000 0.745 383 E HN 0.155 nan 8.360 nan 0.000 0.458 384 K N 0.806 121.200 120.400 -0.010 0.000 2.365 384 K HA -0.007 4.313 4.320 0.001 0.000 0.197 384 K C 0.086 176.690 176.600 0.007 0.000 1.042 384 K CA 0.306 56.586 56.287 -0.012 0.000 0.987 384 K CB -0.007 32.474 32.500 -0.032 0.000 0.779 384 K HN -0.023 nan 8.250 nan 0.000 0.484 385 D N 0.845 121.267 120.400 0.037 0.000 2.316 385 D HA 0.012 4.652 4.640 0.001 0.000 0.245 385 D C 0.087 176.412 176.300 0.042 0.000 1.171 385 D CA -0.003 54.025 54.000 0.047 0.000 0.856 385 D CB 0.843 41.696 40.800 0.090 0.000 1.090 385 D HN -0.084 nan 8.370 nan 0.000 0.476 386 D N 1.602 122.013 120.400 0.019 0.000 2.178 386 D HA -0.152 4.488 4.640 0.001 0.000 0.201 386 D C 1.760 178.064 176.300 0.007 0.000 0.980 386 D CA 0.989 54.993 54.000 0.007 0.000 0.842 386 D CB 0.028 40.828 40.800 0.000 0.000 0.948 386 D HN 0.494 nan 8.370 nan 0.000 0.472 387 S N -0.032 115.674 115.700 0.011 0.000 2.522 387 S HA -0.017 4.454 4.470 0.001 0.000 0.227 387 S C 0.991 175.593 174.600 0.003 0.000 0.986 387 S CA -0.037 58.166 58.200 0.004 0.000 0.929 387 S CB 0.065 63.267 63.200 0.002 0.000 0.769 387 S HN 0.039 nan 8.310 nan 0.000 0.529 388 I N 2.832 123.414 120.570 0.021 0.000 2.371 388 I HA 0.338 4.509 4.170 0.001 0.000 0.290 388 I C 0.708 176.849 176.117 0.040 0.000 1.028 388 I CA -0.620 60.699 61.300 0.032 0.000 1.345 388 I CB 0.424 38.468 38.000 0.074 0.000 1.407 388 I HN 0.226 nan 8.210 nan 0.000 0.501 389 R N 7.074 127.584 120.500 0.017 0.000 2.585 389 R HA 0.169 4.509 4.340 0.001 0.000 0.275 389 R C -0.416 175.859 176.300 -0.042 0.000 1.018 389 R CA 0.434 56.525 56.100 -0.016 0.000 1.072 389 R CB 0.488 30.774 30.300 -0.024 0.000 0.953 389 R HN 0.875 nan 8.270 nan 0.000 0.419 390 K N 2.130 122.441 120.400 -0.148 0.000 2.625 390 K HA 0.221 4.541 4.320 0.001 0.000 0.284 390 K C -1.800 174.645 176.600 -0.259 0.000 0.984 390 K CA -1.082 54.991 56.287 -0.356 0.000 0.865 390 K CB 1.481 33.640 32.500 -0.570 0.000 1.468 390 K HN 0.508 nan 8.250 nan 0.000 0.407 391 Q N 1.394 121.021 119.800 -0.288 0.000 2.347 391 Q HA 0.403 4.744 4.340 0.001 0.000 0.271 391 Q C -1.383 174.514 176.000 -0.172 0.000 1.064 391 Q CA -0.939 54.758 55.803 -0.176 0.000 0.800 391 Q CB 2.348 31.018 28.738 -0.112 0.000 1.304 391 Q HN 0.600 nan 8.270 nan 0.000 0.438 392 R N 0.876 121.307 120.500 -0.116 0.000 2.428 392 R HA 0.622 4.963 4.340 0.001 0.000 0.294 392 R C -0.658 175.622 176.300 -0.033 0.000 1.000 392 R CA -0.424 55.631 56.100 -0.075 0.000 0.960 392 R CB 1.570 31.833 30.300 -0.062 0.000 1.076 392 R HN 0.458 nan 8.270 nan 0.000 0.475 393 V N -1.004 118.909 119.914 -0.001 0.000 3.114 393 V HA 0.546 4.667 4.120 0.001 0.000 0.308 393 V C -0.839 175.281 176.094 0.045 0.000 1.168 393 V CA -1.461 60.850 62.300 0.017 0.000 1.015 393 V CB 2.110 33.945 31.823 0.020 0.000 1.050 393 V HN 0.474 nan 8.190 nan 0.000 0.433 394 K N 1.914 122.342 120.400 0.047 0.000 2.412 394 K HA 0.617 4.937 4.320 0.001 0.000 0.281 394 K C 1.267 177.930 176.600 0.106 0.000 1.027 394 K CA 0.691 57.017 56.287 0.066 0.000 0.989 394 K CB 1.162 33.694 32.500 0.052 0.000 0.935 394 K HN 0.952 nan 8.250 nan 0.000 0.475 395 A N 3.244 126.147 122.820 0.138 0.000 1.917 395 A HA -0.183 4.138 4.320 0.001 0.000 0.219 395 A C 1.905 179.658 177.584 0.281 0.000 1.182 395 A CA 2.057 54.236 52.037 0.237 0.000 0.633 395 A CB -0.624 18.500 19.000 0.208 0.000 0.819 395 A HN 0.517 nan 8.150 nan 0.000 0.448 396 V N -0.006 120.000 119.914 0.153 0.000 2.407 396 V HA -0.258 3.862 4.120 0.001 0.000 0.248 396 V C 2.340 178.517 176.094 0.138 0.000 1.055 396 V CA 2.211 64.586 62.300 0.125 0.000 1.049 396 V CB -0.866 30.993 31.823 0.061 0.000 0.662 396 V HN 0.640 nan 8.190 nan 0.000 0.455 397 E N -0.211 120.054 120.200 0.109 0.000 2.072 397 E HA -0.164 4.187 4.350 0.001 0.000 0.190 397 E C 2.136 178.784 176.600 0.080 0.000 0.982 397 E CA 0.954 57.401 56.400 0.077 0.000 0.803 397 E CB -0.166 29.564 29.700 0.049 0.000 0.755 397 E HN 0.398 nan 8.360 nan 0.000 0.453 398 L N 0.356 121.635 121.223 0.093 0.000 2.027 398 L HA -0.123 4.218 4.340 0.001 0.000 0.206 398 L C 1.995 178.866 176.870 0.002 0.000 1.074 398 L CA 1.621 56.479 54.840 0.031 0.000 0.745 398 L CB -0.537 41.527 42.059 0.008 0.000 0.898 398 L HN 0.008 nan 8.230 nan 0.000 0.433 399 F N -0.505 119.460 119.950 0.026 0.000 2.161 399 F HA -0.220 4.308 4.527 0.001 0.000 0.300 399 F C 2.589 178.406 175.800 0.028 0.000 1.089 399 F CA 1.750 59.767 58.000 0.028 0.000 1.282 399 F CB -0.617 38.402 39.000 0.032 0.000 1.010 399 F HN 0.066 nan 8.300 nan 0.000 0.485 400 S N 0.070 115.885 115.700 0.191 0.000 2.368 400 S HA -0.158 4.312 4.470 0.001 0.000 0.224 400 S C 1.928 176.561 174.600 0.055 0.000 1.029 400 S CA 0.977 59.239 58.200 0.103 0.000 0.988 400 S CB -0.590 62.653 63.200 0.071 0.000 0.838 400 S HN 0.263 nan 8.310 nan 0.000 0.462 401 L N 1.836 123.083 121.223 0.039 0.000 2.046 401 L HA 0.009 4.350 4.340 0.001 0.000 0.208 401 L C 2.243 179.115 176.870 0.004 0.000 1.077 401 L CA 1.753 56.599 54.840 0.010 0.000 0.747 401 L CB -0.613 41.444 42.059 -0.002 0.000 0.896 401 L HN 0.347 nan 8.230 nan 0.000 0.432 402 M N -1.669 117.931 119.600 0.001 0.000 2.086 402 M HA -0.250 4.231 4.480 0.001 0.000 0.261 402 M C 2.010 178.327 176.300 0.029 0.000 1.067 402 M CA 1.936 57.234 55.300 -0.003 0.000 1.116 402 M CB -0.043 32.523 32.600 -0.057 0.000 1.348 402 M HN 0.275 nan 8.290 nan 0.000 0.407 403 M N 0.044 119.679 119.600 0.058 0.000 2.175 403 M HA -0.182 4.299 4.480 0.001 0.000 0.264 403 M C 2.174 178.485 176.300 0.019 0.000 1.063 403 M CA 1.620 56.957 55.300 0.062 0.000 1.119 403 M CB -1.678 30.975 32.600 0.089 0.000 1.377 403 M HN 0.535 nan 8.290 nan 0.000 0.415 404 Q N 0.593 120.397 119.800 0.007 0.000 2.050 404 Q HA -0.195 4.146 4.340 0.001 0.000 0.202 404 Q C 1.616 177.609 176.000 -0.011 0.000 0.980 404 Q CA 1.448 57.244 55.803 -0.012 0.000 0.840 404 Q CB 0.041 28.772 28.738 -0.012 0.000 0.898 404 Q HN 0.380 nan 8.270 nan 0.000 0.424 405 E N 0.759 120.955 120.200 -0.006 0.000 2.077 405 E HA -0.203 4.147 4.350 0.001 0.000 0.193 405 E C 2.027 178.625 176.600 -0.004 0.000 0.989 405 E CA 1.090 57.484 56.400 -0.010 0.000 0.800 405 E CB -0.357 29.334 29.700 -0.015 0.000 0.746 405 E HN 0.395 nan 8.360 nan 0.000 0.452 406 R N 0.739 121.246 120.500 0.012 0.000 2.083 406 R HA -0.150 4.190 4.340 0.001 0.000 0.237 406 R C 2.235 178.556 176.300 0.035 0.000 1.137 406 R CA 1.721 57.839 56.100 0.030 0.000 0.951 406 R CB -0.235 30.110 30.300 0.074 0.000 0.851 406 R HN 0.150 nan 8.270 nan 0.000 0.434 407 A N 0.256 123.086 122.820 0.017 0.000 1.902 407 A HA -0.169 4.152 4.320 0.001 0.000 0.217 407 A C 2.193 179.779 177.584 0.003 0.000 1.181 407 A CA 1.931 53.970 52.037 0.004 0.000 0.623 407 A CB -0.659 18.311 19.000 -0.051 0.000 0.818 407 A HN 0.631 nan 8.150 nan 0.000 0.443 408 S N -0.665 115.030 115.700 -0.008 0.000 2.406 408 S HA -0.117 4.353 4.470 0.001 0.000 0.228 408 S C 1.799 176.393 174.600 -0.009 0.000 1.020 408 S CA 1.804 59.998 58.200 -0.011 0.000 0.965 408 S CB -0.870 62.320 63.200 -0.017 0.000 0.798 408 S HN 0.766 nan 8.310 nan 0.000 0.488 409 T N -3.459 111.089 114.554 -0.009 0.000 3.023 409 T HA 0.493 4.843 4.350 0.001 0.000 0.249 409 T C 1.804 176.494 174.700 -0.017 0.000 1.050 409 T CA 0.786 62.876 62.100 -0.016 0.000 1.088 409 T CB -0.407 68.449 68.868 -0.020 0.000 0.946 409 T HN 1.143 nan 8.240 nan 0.000 0.480 410 G N 2.345 111.150 108.800 0.007 0.000 2.189 410 G HA2 -0.276 3.684 3.960 0.001 0.000 0.267 410 G HA3 -0.276 3.684 3.960 0.001 0.000 0.267 410 G C 0.881 175.816 174.900 0.058 0.000 0.975 410 G CA 0.354 45.482 45.100 0.047 0.000 0.644 410 G HN 0.544 nan 8.290 nan 0.000 0.537 411 R N -0.325 120.122 120.500 -0.088 0.000 2.577 411 R HA 0.361 4.702 4.340 0.001 0.000 0.344 411 R C 0.346 176.232 176.300 -0.689 0.000 1.037 411 R CA -0.216 55.662 56.100 -0.371 0.000 1.102 411 R CB 0.365 30.572 30.300 -0.155 0.000 1.313 411 R HN 0.400 nan 8.270 nan 0.000 0.561 412 I N 1.989 122.329 120.570 -0.383 0.000 2.312 412 I HA 0.286 4.457 4.170 0.001 0.000 0.290 412 I C -0.240 175.782 176.117 -0.159 0.000 1.008 412 I CA -1.250 59.893 61.300 -0.261 0.000 1.226 412 I CB 0.220 38.187 38.000 -0.055 0.000 1.371 412 I HN -0.091 nan 8.210 nan 0.000 0.468 413 Y N 6.078 126.425 120.300 0.077 0.000 2.488 413 Y HA 0.589 5.139 4.550 0.001 0.000 0.325 413 Y C 0.170 176.131 175.900 0.101 0.000 1.204 413 Y CA -1.456 56.710 58.100 0.111 0.000 1.229 413 Y CB 1.141 39.678 38.460 0.127 0.000 1.274 413 Y HN 0.300 nan 8.280 nan 0.000 0.493 414 I N 1.203 121.982 120.570 0.348 0.000 2.433 414 I HA 0.313 4.483 4.170 0.001 0.000 0.292 414 I C -0.592 175.698 176.117 0.288 0.000 1.001 414 I CA -0.630 60.834 61.300 0.273 0.000 1.119 414 I CB 1.786 39.961 38.000 0.291 0.000 1.289 414 I HN 0.510 nan 8.210 nan 0.000 0.438 415 Q N 5.482 125.440 119.800 0.264 0.000 2.327 415 Q HA 0.407 4.747 4.340 0.001 0.000 0.270 415 Q C -1.205 174.900 176.000 0.176 0.000 1.022 415 Q CA -0.736 55.208 55.803 0.236 0.000 0.773 415 Q CB 1.050 29.946 28.738 0.264 0.000 1.251 415 Q HN 0.494 nan 8.270 nan 0.000 0.457 416 N N 4.199 123.006 118.700 0.178 0.000 2.508 416 N HA 0.022 4.762 4.740 0.001 0.000 0.253 416 N C 1.012 176.527 175.510 0.010 0.000 1.145 416 N CA 0.100 53.230 53.050 0.133 0.000 0.973 416 N CB 1.383 39.959 38.487 0.148 0.000 1.305 416 N HN 0.574 nan 8.380 nan 0.000 0.506 417 V N -0.435 119.398 119.914 -0.134 0.000 2.809 417 V HA -0.156 3.965 4.120 0.001 0.000 0.256 417 V C 1.547 177.525 176.094 -0.193 0.000 1.080 417 V CA 1.275 63.456 62.300 -0.199 0.000 1.102 417 V CB -0.295 31.233 31.823 -0.492 0.000 0.705 417 V HN 0.354 nan 8.190 nan 0.000 0.475 418 D N 0.134 120.402 120.400 -0.221 0.000 2.084 418 D HA -0.251 4.389 4.640 0.001 0.000 0.196 418 D C 1.958 178.291 176.300 0.054 0.000 0.985 418 D CA 2.122 56.060 54.000 -0.103 0.000 0.826 418 D CB -0.957 39.801 40.800 -0.069 0.000 0.978 418 D HN 0.506 nan 8.370 nan 0.000 0.456 419 H N 0.112 119.172 119.070 -0.016 0.000 2.390 419 H HA -0.033 4.523 4.556 0.001 0.000 0.298 419 H C 2.303 177.642 175.328 0.019 0.000 1.106 419 H CA 0.716 56.746 56.048 -0.030 0.000 1.297 419 H CB -0.929 28.788 29.762 -0.076 0.000 1.375 419 H HN 0.297 nan 8.280 nan 0.000 0.509 420 C N 0.467 119.850 119.300 0.138 0.000 2.437 420 C HA -0.014 4.446 4.460 0.001 0.000 0.283 420 C C 2.116 177.150 174.990 0.074 0.000 1.424 420 C CA 0.610 59.682 59.018 0.089 0.000 1.782 420 C CB -0.459 27.318 27.740 0.063 0.000 1.833 420 C HN 0.603 nan 8.230 nan 0.000 0.532 421 N N -0.612 118.130 118.700 0.070 0.000 2.317 421 N HA -0.030 4.711 4.740 0.001 0.000 0.199 421 N C 1.704 177.243 175.510 0.050 0.000 1.145 421 N CA 1.195 54.281 53.050 0.059 0.000 0.882 421 N CB -0.019 38.500 38.487 0.052 0.000 1.113 421 N HN 0.636 nan 8.380 nan 0.000 0.486 422 T N -2.272 112.320 114.554 0.063 0.000 3.054 422 T HA -0.013 4.337 4.350 0.001 0.000 0.259 422 T C 0.554 175.296 174.700 0.071 0.000 1.092 422 T CA 0.830 62.959 62.100 0.048 0.000 1.121 422 T CB -0.121 68.773 68.868 0.044 0.000 0.912 422 T HN 0.067 nan 8.240 nan 0.000 0.489 423 H N 0.800 119.843 119.070 -0.044 0.000 2.736 423 H HA 0.697 5.253 4.556 0.001 0.000 0.271 423 H C -1.202 174.097 175.328 -0.048 0.000 1.184 423 H CA -0.790 55.213 56.048 -0.075 0.000 1.378 423 H CB 0.500 30.198 29.762 -0.107 0.000 1.428 423 H HN 0.237 nan 8.280 nan 0.000 0.500 424 S N 4.419 119.980 115.700 -0.231 0.000 2.542 424 S HA 0.256 4.726 4.470 0.001 0.000 0.276 424 S C -2.460 171.984 174.600 -0.260 0.000 1.148 424 S CA -1.094 57.001 58.200 -0.175 0.000 0.886 424 S CB 1.328 64.528 63.200 -0.001 0.000 1.109 424 S HN 0.399 nan 8.310 nan 0.000 0.458 425 P HA 0.187 nan 4.420 nan 0.000 0.234 425 P C -0.392 176.551 177.300 -0.595 0.000 1.167 425 P CA 0.566 63.370 63.100 -0.493 0.000 0.763 425 P CB -0.268 31.170 31.700 -0.437 0.000 0.835 426 F N 0.199 120.124 119.950 -0.042 0.000 2.495 426 F HA 0.321 4.848 4.527 0.001 0.000 0.327 426 F C 0.756 176.526 175.800 -0.049 0.000 1.103 426 F CA -1.518 56.465 58.000 -0.028 0.000 0.949 426 F CB 0.813 39.807 39.000 -0.009 0.000 1.142 426 F HN -0.329 nan 8.300 nan 0.000 0.457 427 D N 5.108 125.591 120.400 0.138 0.000 2.338 427 D HA 0.143 4.783 4.640 0.001 0.000 0.255 427 D C -1.610 174.732 176.300 0.069 0.000 1.237 427 D CA -2.269 51.766 54.000 0.059 0.000 0.883 427 D CB 1.274 42.086 40.800 0.019 0.000 1.087 427 D HN 0.155 nan 8.370 nan 0.000 0.485 428 P HA -0.062 nan 4.420 nan 0.000 0.230 428 P C 0.863 178.182 177.300 0.033 0.000 1.158 428 P CA 0.422 63.550 63.100 0.046 0.000 0.769 428 P CB 0.231 31.962 31.700 0.051 0.000 0.807 429 A N -0.513 122.322 122.820 0.026 0.000 2.066 429 A HA -0.023 4.298 4.320 0.001 0.000 0.218 429 A C 2.093 179.678 177.584 0.003 0.000 1.157 429 A CA 1.049 53.097 52.037 0.018 0.000 0.670 429 A CB -0.949 18.058 19.000 0.012 0.000 0.804 429 A HN 0.204 nan 8.150 nan 0.000 0.453 430 I N -2.849 117.718 120.570 -0.004 0.000 3.812 430 I HA 0.259 4.429 4.170 0.001 0.000 0.292 430 I C 1.033 177.119 176.117 -0.052 0.000 1.206 430 I CA 0.762 62.043 61.300 -0.032 0.000 1.370 430 I CB 0.544 38.525 38.000 -0.031 0.000 1.328 430 I HN 0.163 nan 8.210 nan 0.000 0.453 431 A N 2.716 125.519 122.820 -0.028 0.000 3.370 431 A HA 0.473 4.794 4.320 0.001 0.000 0.295 431 A C -2.703 174.822 177.584 -0.099 0.000 1.030 431 A CA -1.000 50.984 52.037 -0.087 0.000 0.883 431 A CB -0.329 18.628 19.000 -0.073 0.000 1.191 431 A HN -0.090 nan 8.150 nan 0.000 0.507 432 P HA 0.248 nan 4.420 nan 0.000 0.272 432 P C -0.152 177.048 177.300 -0.166 0.000 1.223 432 P CA 0.123 63.180 63.100 -0.072 0.000 0.784 432 P CB 1.449 33.124 31.700 -0.042 0.000 0.923 433 V N 4.944 124.790 119.914 -0.114 0.000 2.364 433 V HA 0.264 4.385 4.120 0.001 0.000 0.272 433 V C 1.485 177.452 176.094 -0.212 0.000 1.036 433 V CA 0.007 62.212 62.300 -0.158 0.000 0.880 433 V CB 0.440 32.235 31.823 -0.047 0.000 0.991 433 V HN 0.543 nan 8.190 nan 0.000 0.460 434 R N 4.033 124.292 120.500 -0.402 0.000 2.600 434 R HA 0.283 4.623 4.340 0.001 0.000 0.392 434 R C 0.102 176.112 176.300 -0.484 0.000 1.032 434 R CA -0.106 55.502 56.100 -0.820 0.000 1.139 434 R CB 0.862 30.471 30.300 -1.151 0.000 1.400 434 R HN 0.945 nan 8.270 nan 0.000 0.566 435 Q N -2.333 117.223 119.800 -0.406 0.000 2.975 435 Q HA 0.365 4.705 4.340 0.001 0.000 0.324 435 Q C -1.482 174.055 176.000 -0.772 0.000 0.830 435 Q CA -0.790 54.582 55.803 -0.719 0.000 0.818 435 Q CB 1.097 29.462 28.738 -0.622 0.000 1.440 435 Q HN -0.064 nan 8.270 nan 0.000 0.475 436 S N -0.585 114.325 115.700 -1.316 0.000 2.998 436 S HA 0.611 5.081 4.470 0.001 0.000 0.323 436 S C -1.304 173.135 174.600 -0.269 0.000 1.141 436 S CA -0.115 57.741 58.200 -0.572 0.000 0.873 436 S CB 1.163 64.210 63.200 -0.255 0.000 1.315 436 S HN 0.821 nan 8.310 nan 0.000 0.637 437 N N 0.464 119.162 118.700 -0.004 0.000 2.776 437 N HA 0.230 4.970 4.740 0.001 0.000 0.319 437 N C 1.039 176.638 175.510 0.149 0.000 1.316 437 N CA -0.556 52.530 53.050 0.060 0.000 0.890 437 N CB -0.425 38.041 38.487 -0.035 0.000 1.165 437 N HN 0.503 nan 8.380 nan 0.000 0.596 438 L N 0.188 121.445 121.223 0.057 0.000 2.013 438 L HA -0.077 4.263 4.340 0.001 0.000 0.212 438 L C 1.625 178.461 176.870 -0.058 0.000 1.073 438 L CA 1.901 56.768 54.840 0.046 0.000 0.753 438 L CB -0.484 41.596 42.059 0.035 0.000 0.890 438 L HN 0.701 nan 8.230 nan 0.000 0.432 439 C N -0.225 118.917 119.300 -0.264 0.000 2.855 439 C HA 0.360 4.821 4.460 0.001 0.000 0.279 439 C C 1.127 175.532 174.990 -0.974 0.000 1.270 439 C CA -0.753 57.765 59.018 -0.833 0.000 1.702 439 C CB -0.799 26.526 27.740 -0.691 0.000 1.949 439 C HN 0.598 nan 8.230 nan 0.000 0.618 440 L N 1.707 122.680 121.223 -0.416 0.000 4.496 440 L HA -0.168 4.173 4.340 0.001 0.000 0.419 440 L C 1.749 178.505 176.870 -0.189 0.000 1.139 440 L CA 1.625 56.329 54.840 -0.228 0.000 0.975 440 L CB -1.765 40.147 42.059 -0.244 0.000 2.099 440 L HN 0.645 nan 8.230 nan 0.000 0.818 441 E N -0.755 119.323 120.200 -0.203 0.000 2.473 441 E HA 0.105 4.455 4.350 0.001 0.000 0.204 441 E C 0.765 177.322 176.600 -0.072 0.000 0.994 441 E CA -0.036 56.290 56.400 -0.125 0.000 0.945 441 E CB 0.647 30.265 29.700 -0.136 0.000 0.990 441 E HN 0.437 nan 8.360 nan 0.000 0.493 442 I N 2.045 122.569 120.570 -0.077 0.000 2.392 442 I HA 0.495 4.665 4.170 0.001 0.000 0.295 442 I C -0.300 175.781 176.117 -0.061 0.000 0.985 442 I CA -0.853 60.416 61.300 -0.052 0.000 1.221 442 I CB 1.268 39.234 38.000 -0.057 0.000 1.366 442 I HN 0.082 nan 8.210 nan 0.000 0.467 443 A N 8.228 131.033 122.820 -0.024 0.000 2.599 443 A HA 0.772 5.092 4.320 0.001 0.000 0.281 443 A C -1.031 176.563 177.584 0.016 0.000 1.137 443 A CA -0.375 51.642 52.037 -0.032 0.000 0.767 443 A CB 0.772 19.772 19.000 -0.000 0.000 1.266 443 A HN 0.621 nan 8.150 nan 0.000 0.420 444 L N 2.066 123.234 121.223 -0.091 0.000 2.424 444 L HA 0.579 4.920 4.340 0.001 0.000 0.258 444 L C -2.640 174.033 176.870 -0.330 0.000 0.995 444 L CA -2.437 52.291 54.840 -0.186 0.000 0.821 444 L CB 2.984 44.984 42.059 -0.099 0.000 1.383 444 L HN 0.357 nan 8.230 nan 0.000 0.410 445 P HA 0.285 nan 4.420 nan 0.000 0.272 445 P C -1.014 176.151 177.300 -0.224 0.000 1.223 445 P CA -0.215 62.647 63.100 -0.397 0.000 0.784 445 P CB 0.914 32.318 31.700 -0.493 0.000 0.923 446 T N -1.569 112.881 114.554 -0.173 0.000 2.843 446 T HA 0.649 5.000 4.350 0.001 0.000 0.302 446 T C -1.260 173.392 174.700 -0.079 0.000 1.232 446 T CA -0.984 61.052 62.100 -0.108 0.000 1.009 446 T CB 1.928 70.725 68.868 -0.119 0.000 1.254 446 T HN 0.367 nan 8.240 nan 0.000 0.504 447 K N 1.253 121.630 120.400 -0.039 0.000 2.501 447 K HA 0.529 4.849 4.320 0.001 0.000 0.252 447 K C -3.126 173.471 176.600 -0.005 0.000 0.934 447 K CA -2.212 54.061 56.287 -0.024 0.000 0.797 447 K CB 2.191 34.679 32.500 -0.020 0.000 1.270 447 K HN 0.338 nan 8.250 nan 0.000 0.431 448 P HA 0.013 nan 4.420 nan 0.000 0.266 448 P C -0.894 176.420 177.300 0.023 0.000 1.195 448 P CA -0.280 62.829 63.100 0.015 0.000 0.768 448 P CB 0.403 32.114 31.700 0.020 0.000 0.838 449 L N 3.421 124.664 121.223 0.033 0.000 2.357 449 L HA 0.307 4.648 4.340 0.001 0.000 0.273 449 L C 1.467 178.365 176.870 0.046 0.000 1.080 449 L CA 0.556 55.420 54.840 0.041 0.000 0.803 449 L CB 0.219 42.307 42.059 0.049 0.000 1.174 449 L HN 0.318 nan 8.230 nan 0.000 0.443 450 N N 0.800 119.527 118.700 0.044 0.000 2.187 450 N HA 0.121 4.861 4.740 0.001 0.000 0.212 450 N C -0.870 174.670 175.510 0.050 0.000 1.152 450 N CA 0.170 53.248 53.050 0.047 0.000 0.872 450 N CB 0.753 39.264 38.487 0.039 0.000 1.025 450 N HN 0.714 nan 8.380 nan 0.000 0.514 451 D N -2.031 118.399 120.400 0.050 0.000 2.720 451 D HA 0.059 4.700 4.640 0.001 0.000 0.239 451 D C 1.074 177.405 176.300 0.051 0.000 1.218 451 D CA -0.535 53.495 54.000 0.049 0.000 0.748 451 D CB 1.110 41.934 40.800 0.041 0.000 1.387 451 D HN -0.259 nan 8.370 nan 0.000 0.438 452 V N 1.408 121.353 119.914 0.050 0.000 2.392 452 V HA -0.108 4.012 4.120 0.001 0.000 0.249 452 V C 1.303 177.423 176.094 0.043 0.000 1.059 452 V CA 1.415 63.744 62.300 0.049 0.000 1.051 452 V CB -0.562 31.285 31.823 0.040 0.000 0.658 452 V HN 0.592 nan 8.190 nan 0.000 0.455 453 N N 0.164 118.885 118.700 0.036 0.000 2.251 453 N HA 0.081 4.821 4.740 0.001 0.000 0.217 453 N C 0.168 175.698 175.510 0.034 0.000 1.124 453 N CA -0.009 53.060 53.050 0.032 0.000 0.843 453 N CB -0.079 38.422 38.487 0.024 0.000 1.024 453 N HN 0.502 nan 8.380 nan 0.000 0.501 454 D N 1.604 122.027 120.400 0.039 0.000 2.412 454 D HA -0.041 4.599 4.640 0.001 0.000 0.257 454 D C 1.014 177.339 176.300 0.041 0.000 1.217 454 D CA 0.415 54.438 54.000 0.038 0.000 0.897 454 D CB 0.761 41.585 40.800 0.039 0.000 1.132 454 D HN 0.037 nan 8.370 nan 0.000 0.493 455 E N 2.875 123.098 120.200 0.038 0.000 2.427 455 E HA -0.073 4.277 4.350 0.001 0.000 0.196 455 E C 0.540 177.174 176.600 0.056 0.000 1.028 455 E CA 0.392 56.819 56.400 0.045 0.000 0.864 455 E CB 0.054 29.777 29.700 0.039 0.000 0.813 455 E HN 0.551 nan 8.360 nan 0.000 0.514 456 N N 0.192 118.918 118.700 0.044 0.000 2.336 456 N HA 0.041 4.781 4.740 0.001 0.000 0.189 456 N C 0.647 176.179 175.510 0.036 0.000 1.113 456 N CA 0.209 53.282 53.050 0.037 0.000 0.858 456 N CB 0.671 39.169 38.487 0.019 0.000 0.970 456 N HN -0.003 nan 8.380 nan 0.000 0.471 457 G N 0.133 108.960 108.800 0.045 0.000 2.580 457 G HA2 0.298 4.259 3.960 0.001 0.000 0.278 457 G HA3 0.298 4.259 3.960 0.001 0.000 0.278 457 G C -0.729 174.210 174.900 0.066 0.000 1.212 457 G CA -0.286 44.841 45.100 0.044 0.000 0.939 457 G HN 0.137 nan 8.290 nan 0.000 0.513 458 E N -0.257 119.975 120.200 0.053 0.000 2.317 458 E HA 0.327 4.677 4.350 0.001 0.000 0.270 458 E C -1.092 175.525 176.600 0.028 0.000 0.899 458 E CA -0.484 55.958 56.400 0.071 0.000 0.814 458 E CB 1.415 31.176 29.700 0.101 0.000 1.296 458 E HN 0.335 nan 8.360 nan 0.000 0.404 459 I N 3.076 123.663 120.570 0.030 0.000 2.336 459 I HA 0.428 4.598 4.170 0.001 0.000 0.292 459 I C 0.197 176.300 176.117 -0.024 0.000 0.991 459 I CA -0.590 60.709 61.300 -0.002 0.000 1.227 459 I CB 1.664 39.682 38.000 0.029 0.000 1.366 459 I HN 0.527 nan 8.210 nan 0.000 0.466 460 A N 7.964 130.748 122.820 -0.060 0.000 2.328 460 A HA 0.772 5.093 4.320 0.001 0.000 0.284 460 A C -0.592 176.947 177.584 -0.074 0.000 1.160 460 A CA -0.241 51.758 52.037 -0.063 0.000 0.818 460 A CB 0.385 19.331 19.000 -0.090 0.000 1.087 460 A HN 0.685 nan 8.150 nan 0.000 0.504 461 L N 1.165 122.364 121.223 -0.039 0.000 2.323 461 L HA 0.686 5.027 4.340 0.001 0.000 0.265 461 L C -0.529 176.339 176.870 -0.003 0.000 1.012 461 L CA -0.675 54.144 54.840 -0.034 0.000 0.820 461 L CB 2.237 44.315 42.059 0.031 0.000 1.334 461 L HN 0.742 nan 8.230 nan 0.000 0.427 462 C N 0.352 119.648 119.300 -0.007 0.000 2.686 462 C HA 0.675 5.135 4.460 0.001 0.000 0.318 462 C C -0.229 174.768 174.990 0.011 0.000 1.160 462 C CA -0.168 58.855 59.018 0.008 0.000 1.396 462 C CB 1.891 29.630 27.740 -0.001 0.000 1.924 462 C HN 0.839 nan 8.230 nan 0.000 0.471 463 T N 6.237 120.801 114.554 0.016 0.000 2.795 463 T HA 0.574 4.924 4.350 0.001 0.000 0.282 463 T C -0.417 174.279 174.700 -0.006 0.000 0.980 463 T CA -0.169 61.937 62.100 0.011 0.000 1.012 463 T CB 0.637 69.510 68.868 0.009 0.000 0.936 463 T HN 0.528 nan 8.240 nan 0.000 0.457 464 L N 1.995 123.215 121.223 -0.006 0.000 2.334 464 L HA 0.853 5.193 4.340 0.001 0.000 0.270 464 L C 0.293 177.147 176.870 -0.026 0.000 1.018 464 L CA -0.750 54.079 54.840 -0.017 0.000 0.811 464 L CB 1.861 43.916 42.059 -0.006 0.000 1.271 464 L HN 0.619 nan 8.230 nan 0.000 0.443 465 S N -0.400 115.265 115.700 -0.059 0.000 2.655 465 S HA 0.826 5.296 4.470 0.001 0.000 0.266 465 S C -1.609 172.901 174.600 -0.150 0.000 1.149 465 S CA -0.423 57.731 58.200 -0.077 0.000 0.818 465 S CB 1.993 65.141 63.200 -0.087 0.000 1.130 465 S HN 0.825 nan 8.310 nan 0.000 0.476 466 A N 0.622 123.340 122.820 -0.170 0.000 2.572 466 A HA 0.836 5.156 4.320 0.001 0.000 0.295 466 A C -1.921 175.529 177.584 -0.224 0.000 1.072 466 A CA -0.570 51.345 52.037 -0.204 0.000 0.691 466 A CB 0.649 19.633 19.000 -0.027 0.000 1.291 466 A HN 0.459 nan 8.150 nan 0.000 0.404 467 F N 1.481 121.437 119.950 0.009 0.000 2.396 467 F HA 0.370 4.898 4.527 0.001 0.000 0.343 467 F C 0.900 176.704 175.800 0.007 0.000 1.104 467 F CA -0.769 57.222 58.000 -0.015 0.000 1.161 467 F CB 1.038 39.997 39.000 -0.068 0.000 1.146 467 F HN 0.572 nan 8.300 nan 0.000 0.522 468 N N 3.921 122.759 118.700 0.230 0.000 2.482 468 N HA 0.123 4.864 4.740 0.001 0.000 0.242 468 N C 0.687 176.287 175.510 0.150 0.000 1.100 468 N CA 0.146 53.306 53.050 0.184 0.000 0.946 468 N CB 0.362 38.960 38.487 0.185 0.000 1.227 468 N HN 0.703 nan 8.380 nan 0.000 0.508 469 L N 1.813 123.106 121.223 0.117 0.000 2.362 469 L HA 0.021 4.362 4.340 0.001 0.000 0.219 469 L C 1.910 178.901 176.870 0.203 0.000 1.134 469 L CA 0.874 55.707 54.840 -0.011 0.000 0.807 469 L CB -0.051 41.838 42.059 -0.283 0.000 0.927 469 L HN 0.553 nan 8.230 nan 0.000 0.447 470 G N -1.076 107.919 108.800 0.325 0.000 2.939 470 G HA2 0.120 4.081 3.960 0.001 0.000 0.210 470 G HA3 0.120 4.081 3.960 0.001 0.000 0.210 470 G C 1.377 176.493 174.900 0.359 0.000 1.160 470 G CA 0.596 45.983 45.100 0.477 0.000 0.770 470 G HN 0.392 nan 8.290 nan 0.000 0.543 471 A N 0.299 123.260 122.820 0.234 0.000 2.303 471 A HA 0.532 4.852 4.320 0.001 0.000 0.217 471 A C 0.978 178.615 177.584 0.088 0.000 1.205 471 A CA -0.255 51.880 52.037 0.163 0.000 0.875 471 A CB -0.190 18.903 19.000 0.156 0.000 0.910 471 A HN 0.507 nan 8.150 nan 0.000 0.501 472 I N -3.761 116.860 120.570 0.084 0.000 2.428 472 I HA 0.382 4.553 4.170 0.001 0.000 0.296 472 I C 0.371 176.520 176.117 0.053 0.000 0.985 472 I CA -0.763 60.555 61.300 0.030 0.000 1.260 472 I CB 1.073 39.059 38.000 -0.022 0.000 1.389 472 I HN -0.037 nan 8.210 nan 0.000 0.484 473 N N 3.524 122.232 118.700 0.014 0.000 2.336 473 N HA -0.006 4.734 4.740 0.001 0.000 0.177 473 N C -0.216 175.309 175.510 0.024 0.000 1.018 473 N CA 0.683 53.739 53.050 0.010 0.000 0.878 473 N CB 0.049 38.524 38.487 -0.019 0.000 0.997 473 N HN 0.860 nan 8.380 nan 0.000 0.433 474 N N -1.375 117.332 118.700 0.012 0.000 2.732 474 N HA 0.222 4.962 4.740 0.001 0.000 0.259 474 N C 0.120 175.633 175.510 0.004 0.000 1.402 474 N CA -0.658 52.407 53.050 0.026 0.000 0.829 474 N CB 1.046 39.536 38.487 0.006 0.000 1.495 474 N HN -0.277 nan 8.380 nan 0.000 0.511 475 L N -0.486 120.756 121.223 0.033 0.000 2.191 475 L HA -0.059 4.282 4.340 0.001 0.000 0.212 475 L C 0.773 177.671 176.870 0.047 0.000 1.103 475 L CA 1.056 55.916 54.840 0.034 0.000 0.769 475 L CB -0.366 41.747 42.059 0.089 0.000 0.908 475 L HN 0.681 nan 8.230 nan 0.000 0.438 476 D N -0.087 120.341 120.400 0.047 0.000 2.317 476 D HA -0.123 4.517 4.640 0.001 0.000 0.211 476 D C 1.937 178.086 176.300 -0.253 0.000 0.966 476 D CA 0.576 54.565 54.000 -0.018 0.000 0.876 476 D CB 0.089 40.927 40.800 0.063 0.000 0.927 476 D HN 0.382 nan 8.370 nan 0.000 0.519 477 E N 0.295 120.379 120.200 -0.194 0.000 2.209 477 E HA -0.138 4.213 4.350 0.001 0.000 0.196 477 E C 1.956 178.342 176.600 -0.357 0.000 0.993 477 E CA 0.353 56.613 56.400 -0.235 0.000 0.819 477 E CB -0.044 29.559 29.700 -0.162 0.000 0.745 477 E HN 0.352 nan 8.360 nan 0.000 0.477 478 L N 0.723 121.681 121.223 -0.441 0.000 2.456 478 L HA -0.155 4.186 4.340 0.001 0.000 0.224 478 L C 2.432 178.877 176.870 -0.709 0.000 1.148 478 L CA 0.676 55.163 54.840 -0.588 0.000 0.825 478 L CB -0.268 41.503 42.059 -0.480 0.000 0.937 478 L HN 0.160 nan 8.230 nan 0.000 0.450 479 E N 0.723 120.291 120.200 -1.053 0.000 2.031 479 E HA -0.253 4.098 4.350 0.001 0.000 0.193 479 E C 1.922 178.274 176.600 -0.414 0.000 0.994 479 E CA 1.595 57.387 56.400 -1.013 0.000 0.800 479 E CB 0.177 29.289 29.700 -0.980 0.000 0.752 479 E HN 0.465 nan 8.360 nan 0.000 0.447 480 E N 0.665 120.671 120.200 -0.322 0.000 2.072 480 E HA -0.159 4.191 4.350 0.001 0.000 0.191 480 E C 2.188 178.731 176.600 -0.094 0.000 0.985 480 E CA 1.093 57.391 56.400 -0.170 0.000 0.801 480 E CB -0.177 29.426 29.700 -0.161 0.000 0.750 480 E HN 0.298 nan 8.360 nan 0.000 0.452 481 L N 0.489 121.628 121.223 -0.140 0.000 2.046 481 L HA -0.179 4.161 4.340 0.001 0.000 0.208 481 L C 2.491 179.481 176.870 0.200 0.000 1.077 481 L CA 1.157 55.996 54.840 -0.002 0.000 0.747 481 L CB -0.607 41.381 42.059 -0.118 0.000 0.896 481 L HN 0.175 nan 8.230 nan 0.000 0.432 482 A N 0.376 123.242 122.820 0.076 0.000 1.902 482 A HA -0.178 4.142 4.320 0.001 0.000 0.217 482 A C 2.234 179.913 177.584 0.159 0.000 1.181 482 A CA 1.537 53.718 52.037 0.240 0.000 0.623 482 A CB -0.671 18.396 19.000 0.111 0.000 0.818 482 A HN 0.341 nan 8.150 nan 0.000 0.443 483 I N -0.601 120.019 120.570 0.084 0.000 2.127 483 I HA -0.255 3.915 4.170 0.001 0.000 0.241 483 I C 2.284 178.512 176.117 0.186 0.000 1.075 483 I CA 0.927 62.291 61.300 0.107 0.000 1.334 483 I CB -0.350 37.701 38.000 0.085 0.000 1.040 483 I HN 0.216 nan 8.210 nan 0.000 0.405 484 L N 0.695 122.056 121.223 0.229 0.000 1.994 484 L HA -0.188 4.153 4.340 0.001 0.000 0.208 484 L C 2.746 179.858 176.870 0.403 0.000 1.071 484 L CA 2.322 57.388 54.840 0.377 0.000 0.745 484 L CB -1.789 40.496 42.059 0.377 0.000 0.892 484 L HN 0.245 nan 8.230 nan 0.000 0.431 485 A N -1.076 121.939 122.820 0.324 0.000 1.902 485 A HA -0.135 4.186 4.320 0.001 0.000 0.217 485 A C 2.438 180.081 177.584 0.099 0.000 1.181 485 A CA 1.802 53.982 52.037 0.238 0.000 0.623 485 A CB -0.854 18.216 19.000 0.117 0.000 0.818 485 A HN 0.221 nan 8.150 nan 0.000 0.443 486 V N -0.079 119.887 119.914 0.087 0.000 2.343 486 V HA -0.257 3.863 4.120 0.001 0.000 0.247 486 V C 2.656 178.734 176.094 -0.027 0.000 1.051 486 V CA 2.281 64.594 62.300 0.021 0.000 1.036 486 V CB -0.790 31.050 31.823 0.029 0.000 0.654 486 V HN 0.522 nan 8.190 nan 0.000 0.451 487 R N -0.082 120.414 120.500 -0.006 0.000 2.092 487 R HA -0.059 4.282 4.340 0.001 0.000 0.231 487 R C 2.433 178.506 176.300 -0.379 0.000 1.119 487 R CA 1.350 57.393 56.100 -0.094 0.000 0.970 487 R CB -0.547 29.762 30.300 0.016 0.000 0.864 487 R HN 0.535 nan 8.270 nan 0.000 0.440 488 A N 1.242 123.806 122.820 -0.427 0.000 1.877 488 A HA -0.122 4.198 4.320 0.001 0.000 0.216 488 A C 2.144 179.456 177.584 -0.452 0.000 1.186 488 A CA 1.164 52.753 52.037 -0.745 0.000 0.620 488 A CB -0.528 18.040 19.000 -0.719 0.000 0.822 488 A HN 0.163 nan 8.150 nan 0.000 0.443 489 L N -0.923 120.161 121.223 -0.231 0.000 2.093 489 L HA -0.159 4.182 4.340 0.001 0.000 0.208 489 L C 2.356 179.146 176.870 -0.133 0.000 1.085 489 L CA 1.752 56.502 54.840 -0.151 0.000 0.755 489 L CB -0.705 41.307 42.059 -0.078 0.000 0.904 489 L HN 0.428 nan 8.230 nan 0.000 0.435 490 D N 0.214 120.535 120.400 -0.132 0.000 2.144 490 D HA -0.170 4.470 4.640 0.001 0.000 0.199 490 D C 2.181 178.413 176.300 -0.114 0.000 0.984 490 D CA 1.290 55.231 54.000 -0.098 0.000 0.834 490 D CB 0.194 40.944 40.800 -0.084 0.000 0.955 490 D HN 0.256 nan 8.370 nan 0.000 0.465 491 A N 0.049 122.747 122.820 -0.203 0.000 1.902 491 A HA -0.119 4.201 4.320 0.001 0.000 0.217 491 A C 2.124 179.616 177.584 -0.153 0.000 1.181 491 A CA 1.250 53.159 52.037 -0.212 0.000 0.623 491 A CB -0.946 17.812 19.000 -0.404 0.000 0.818 491 A HN 0.384 nan 8.150 nan 0.000 0.443 492 L N 0.021 121.129 121.223 -0.191 0.000 2.081 492 L HA -0.170 4.171 4.340 0.001 0.000 0.212 492 L C 2.257 179.163 176.870 0.061 0.000 1.080 492 L CA 1.676 56.464 54.840 -0.087 0.000 0.754 492 L CB -0.485 41.483 42.059 -0.152 0.000 0.893 492 L HN 0.435 nan 8.230 nan 0.000 0.433 493 L N -0.726 120.525 121.223 0.046 0.000 2.081 493 L HA -0.253 4.088 4.340 0.001 0.000 0.212 493 L C 1.955 178.948 176.870 0.205 0.000 1.080 493 L CA 1.524 56.447 54.840 0.140 0.000 0.754 493 L CB -0.825 41.286 42.059 0.087 0.000 0.893 493 L HN 0.341 nan 8.230 nan 0.000 0.433 494 D N -1.795 118.684 120.400 0.131 0.000 2.323 494 D HA -0.130 4.511 4.640 0.001 0.000 0.209 494 D C 1.803 178.214 176.300 0.185 0.000 0.973 494 D CA 0.718 54.801 54.000 0.138 0.000 0.874 494 D CB 0.181 41.020 40.800 0.065 0.000 0.930 494 D HN 0.303 nan 8.370 nan 0.000 0.521 495 Y N 1.953 122.264 120.300 0.019 0.000 2.269 495 Y HA -0.007 4.543 4.550 0.001 0.000 0.294 495 Y C 1.223 177.151 175.900 0.047 0.000 1.120 495 Y CA 0.463 58.568 58.100 0.009 0.000 1.159 495 Y CB 0.025 38.469 38.460 -0.027 0.000 1.024 495 Y HN -0.073 nan 8.280 nan 0.000 0.532 496 Q N 1.032 120.904 119.800 0.119 0.000 2.417 496 Q HA 0.141 4.481 4.340 0.001 0.000 0.241 496 Q C -0.861 174.937 176.000 -0.336 0.000 1.008 496 Q CA -0.508 55.279 55.803 -0.027 0.000 0.901 496 Q CB 0.735 29.503 28.738 0.050 0.000 1.259 496 Q HN 0.131 nan 8.270 nan 0.000 0.489 497 D N 0.354 120.516 120.400 -0.396 0.000 2.312 497 D HA 0.270 4.911 4.640 0.001 0.000 0.248 497 D C -1.253 174.696 176.300 -0.585 0.000 1.086 497 D CA -0.014 53.768 54.000 -0.363 0.000 0.948 497 D CB 0.571 41.218 40.800 -0.254 0.000 1.162 497 D HN 0.444 nan 8.370 nan 0.000 0.446 498 Y N 0.530 120.813 120.300 -0.028 0.000 2.402 498 Y HA 0.229 4.779 4.550 0.001 0.000 0.325 498 Y C -1.359 174.500 175.900 -0.069 0.000 1.009 498 Y CA -1.363 56.739 58.100 0.004 0.000 1.278 498 Y CB 1.809 40.287 38.460 0.031 0.000 1.105 498 Y HN 0.207 nan 8.280 nan 0.000 0.476 499 P HA 0.003 nan 4.420 nan 0.000 0.223 499 P C 0.020 177.257 177.300 -0.106 0.000 1.151 499 P CA 1.233 64.224 63.100 -0.181 0.000 0.787 499 P CB 1.126 32.581 31.700 -0.409 0.000 0.788 500 I N 0.365 120.924 120.570 -0.018 0.000 2.418 500 I HA 0.223 4.394 4.170 0.001 0.000 0.287 500 I C -1.775 174.402 176.117 0.100 0.000 1.008 500 I CA -2.756 58.577 61.300 0.056 0.000 1.104 500 I CB 1.622 39.703 38.000 0.134 0.000 1.264 500 I HN -0.308 nan 8.210 nan 0.000 0.438 501 P HA -0.197 nan 4.420 nan 0.000 0.216 501 P C 1.530 178.851 177.300 0.034 0.000 1.157 501 P CA 1.830 64.951 63.100 0.036 0.000 0.880 501 P CB 0.402 32.120 31.700 0.030 0.000 0.791 502 A N -0.657 122.199 122.820 0.061 0.000 2.070 502 A HA -0.074 4.246 4.320 0.001 0.000 0.220 502 A C 2.232 179.852 177.584 0.060 0.000 1.159 502 A CA 1.923 53.999 52.037 0.065 0.000 0.656 502 A CB -1.357 17.685 19.000 0.070 0.000 0.800 502 A HN 0.234 nan 8.150 nan 0.000 0.453 503 A N -0.509 122.371 122.820 0.100 0.000 1.975 503 A HA 0.021 4.342 4.320 0.001 0.000 0.215 503 A C 2.053 179.623 177.584 -0.023 0.000 1.170 503 A CA 1.455 53.561 52.037 0.114 0.000 0.656 503 A CB -0.312 18.874 19.000 0.309 0.000 0.821 503 A HN 0.486 nan 8.150 nan 0.000 0.449 504 K N -0.161 120.147 120.400 -0.153 0.000 2.097 504 K HA -0.134 4.186 4.320 0.001 0.000 0.206 504 K C 2.238 178.581 176.600 -0.428 0.000 1.049 504 K CA 1.154 57.068 56.287 -0.622 0.000 0.933 504 K CB -0.157 32.063 32.500 -0.467 0.000 0.717 504 K HN 0.355 nan 8.250 nan 0.000 0.442 505 R N -0.450 119.922 120.500 -0.213 0.000 2.081 505 R HA -0.106 4.234 4.340 0.001 0.000 0.235 505 R C 2.405 178.519 176.300 -0.310 0.000 1.131 505 R CA 1.486 57.478 56.100 -0.181 0.000 0.960 505 R CB -0.577 29.754 30.300 0.050 0.000 0.856 505 R HN 0.370 nan 8.270 nan 0.000 0.436 506 G N 0.661 109.368 108.800 -0.154 0.000 2.421 506 G HA2 -0.257 3.704 3.960 0.001 0.000 0.216 506 G HA3 -0.257 3.704 3.960 0.001 0.000 0.216 506 G C 1.549 176.322 174.900 -0.211 0.000 1.171 506 G CA 0.884 45.908 45.100 -0.127 0.000 0.775 506 G HN 0.424 nan 8.290 nan 0.000 0.543 507 A N 0.077 122.773 122.820 -0.206 0.000 1.929 507 A HA 0.142 4.463 4.320 0.001 0.000 0.216 507 A C 2.403 179.845 177.584 -0.236 0.000 1.176 507 A CA 1.756 53.703 52.037 -0.151 0.000 0.628 507 A CB -0.250 18.732 19.000 -0.029 0.000 0.816 507 A HN 0.293 nan 8.150 nan 0.000 0.444 508 M N -0.575 118.802 119.600 -0.372 0.000 2.288 508 M HA 0.002 4.483 4.480 0.001 0.000 0.266 508 M C 2.254 178.267 176.300 -0.478 0.000 1.072 508 M CA 1.275 56.360 55.300 -0.359 0.000 1.132 508 M CB -1.698 30.691 32.600 -0.350 0.000 1.386 508 M HN 0.454 nan 8.290 nan 0.000 0.432 509 G N 0.609 108.919 108.800 -0.816 0.000 2.394 509 G HA2 -0.158 3.802 3.960 0.001 0.000 0.215 509 G HA3 -0.158 3.802 3.960 0.001 0.000 0.215 509 G C 1.777 176.249 174.900 -0.714 0.000 1.165 509 G CA 0.304 44.520 45.100 -1.474 0.000 0.784 509 G HN 0.469 nan 8.290 nan 0.000 0.535 510 R N -1.046 119.246 120.500 -0.346 0.000 2.316 510 R HA 0.275 4.615 4.340 0.001 0.000 0.201 510 R C 0.520 176.837 176.300 0.028 0.000 0.888 510 R CA -0.293 55.818 56.100 0.017 0.000 1.041 510 R CB 0.327 30.748 30.300 0.203 0.000 1.115 510 R HN 0.098 nan 8.270 nan 0.000 0.559 511 R N 2.040 122.510 120.500 -0.050 0.000 3.333 511 R HA -0.115 4.225 4.340 0.001 0.000 0.256 511 R C -0.622 175.691 176.300 0.022 0.000 1.010 511 R CA 1.018 57.104 56.100 -0.024 0.000 0.680 511 R CB -2.334 27.941 30.300 -0.042 0.000 1.102 511 R HN 0.431 nan 8.270 nan 0.000 0.440 512 T N -1.197 113.388 114.554 0.053 0.000 2.870 512 T HA 0.547 4.897 4.350 0.001 0.000 0.300 512 T C 0.741 175.468 174.700 0.046 0.000 0.989 512 T CA -0.604 61.546 62.100 0.083 0.000 1.139 512 T CB 1.507 70.457 68.868 0.136 0.000 0.920 512 T HN 0.221 nan 8.240 nan 0.000 0.537 513 L N 1.994 123.238 121.223 0.035 0.000 2.303 513 L HA 0.812 5.152 4.340 0.001 0.000 0.266 513 L C 0.580 177.458 176.870 0.014 0.000 1.011 513 L CA -1.322 53.525 54.840 0.011 0.000 0.818 513 L CB 2.288 44.342 42.059 -0.008 0.000 1.326 513 L HN 0.963 nan 8.230 nan 0.000 0.435 514 G N 2.040 110.836 108.800 -0.006 0.000 2.975 514 G HA2 0.581 4.541 3.960 0.001 0.000 0.299 514 G HA3 0.581 4.541 3.960 0.001 0.000 0.299 514 G C -1.056 173.820 174.900 -0.040 0.000 1.587 514 G CA -0.154 44.942 45.100 -0.007 0.000 1.052 514 G HN 0.334 nan 8.290 nan 0.000 0.545 515 I N 2.182 122.716 120.570 -0.060 0.000 2.377 515 I HA 0.648 4.819 4.170 0.001 0.000 0.293 515 I C 0.981 177.030 176.117 -0.113 0.000 0.987 515 I CA -0.405 60.800 61.300 -0.158 0.000 1.185 515 I CB 2.067 39.894 38.000 -0.287 0.000 1.341 515 I HN 0.447 nan 8.210 nan 0.000 0.455 516 G N 4.858 113.584 108.800 -0.124 0.000 3.212 516 G HA2 0.792 4.752 3.960 0.001 0.000 0.188 516 G HA3 0.792 4.752 3.960 0.001 0.000 0.188 516 G C -0.752 174.152 174.900 0.007 0.000 1.254 516 G CA -0.402 44.693 45.100 -0.009 0.000 0.957 516 G HN 0.550 nan 8.290 nan 0.000 0.596 517 V N -1.702 118.263 119.914 0.086 0.000 3.130 517 V HA 0.878 4.998 4.120 0.001 0.000 0.310 517 V C -0.458 175.723 176.094 0.146 0.000 1.158 517 V CA -0.998 61.373 62.300 0.117 0.000 1.029 517 V CB 1.489 33.381 31.823 0.116 0.000 1.057 517 V HN 1.158 nan 8.190 nan 0.000 0.436 518 I N -1.335 119.338 120.570 0.172 0.000 3.145 518 I HA 0.744 4.915 4.170 0.001 0.000 0.313 518 I C 0.279 176.554 176.117 0.264 0.000 1.122 518 I CA -0.828 60.596 61.300 0.207 0.000 0.987 518 I CB 2.179 40.278 38.000 0.165 0.000 1.236 518 I HN 0.719 nan 8.210 nan 0.000 0.453 519 N N 0.440 119.325 118.700 0.308 0.000 2.776 519 N HA -0.254 4.486 4.740 0.001 0.000 0.250 519 N C 0.143 175.933 175.510 0.467 0.000 1.112 519 N CA 1.090 54.373 53.050 0.388 0.000 0.733 519 N CB -1.093 37.626 38.487 0.386 0.000 1.097 519 N HN 0.849 nan 8.380 nan 0.000 0.558 520 F N 0.826 120.958 119.950 0.304 0.000 2.075 520 F HA -0.010 4.517 4.527 0.001 0.000 0.297 520 F C 2.194 178.220 175.800 0.377 0.000 1.113 520 F CA 2.176 60.365 58.000 0.314 0.000 1.218 520 F CB -0.736 38.450 39.000 0.309 0.000 0.984 520 F HN 0.188 nan 8.300 nan 0.000 0.472 521 A N -0.458 122.590 122.820 0.380 0.000 1.917 521 A HA -0.298 4.022 4.320 0.001 0.000 0.219 521 A C 2.178 179.924 177.584 0.270 0.000 1.182 521 A CA 1.949 54.205 52.037 0.365 0.000 0.633 521 A CB -1.796 17.557 19.000 0.589 0.000 0.819 521 A HN 0.640 nan 8.150 nan 0.000 0.448 522 Y N -1.136 119.323 120.300 0.266 0.000 2.145 522 Y HA -0.278 4.272 4.550 0.001 0.000 0.286 522 Y C 2.197 178.119 175.900 0.037 0.000 1.145 522 Y CA 1.822 60.001 58.100 0.132 0.000 1.148 522 Y CB -1.010 37.618 38.460 0.279 0.000 0.981 522 Y HN 0.432 nan 8.280 nan 0.000 0.507 523 Y N 0.480 120.682 120.300 -0.164 0.000 2.069 523 Y HA -0.341 4.209 4.550 0.001 0.000 0.278 523 Y C 2.224 177.998 175.900 -0.210 0.000 1.175 523 Y CA 2.422 60.399 58.100 -0.204 0.000 1.134 523 Y CB -0.711 37.739 38.460 -0.016 0.000 0.965 523 Y HN 0.205 nan 8.280 nan 0.000 0.498 524 L N -0.570 120.471 121.223 -0.303 0.000 2.046 524 L HA -0.228 4.112 4.340 0.001 0.000 0.208 524 L C 2.820 179.497 176.870 -0.321 0.000 1.077 524 L CA 1.115 55.711 54.840 -0.407 0.000 0.747 524 L CB -1.171 40.563 42.059 -0.542 0.000 0.896 524 L HN 0.374 nan 8.230 nan 0.000 0.432 525 A N 1.385 124.003 122.820 -0.336 0.000 1.883 525 A HA -0.254 4.066 4.320 0.001 0.000 0.217 525 A C 2.303 179.656 177.584 -0.385 0.000 1.186 525 A CA 2.247 54.047 52.037 -0.394 0.000 0.624 525 A CB -0.527 18.026 19.000 -0.744 0.000 0.822 525 A HN 0.557 nan 8.150 nan 0.000 0.444 526 K N -1.327 118.781 120.400 -0.486 0.000 2.365 526 K HA -0.105 4.215 4.320 0.001 0.000 0.199 526 K C 0.919 177.205 176.600 -0.523 0.000 1.045 526 K CA 1.545 57.534 56.287 -0.497 0.000 0.962 526 K CB -0.370 31.748 32.500 -0.637 0.000 0.759 526 K HN 0.588 nan 8.250 nan 0.000 0.469 527 H N 0.233 119.045 119.070 -0.430 0.000 2.526 527 H HA 0.205 4.761 4.556 0.001 0.000 0.274 527 H C 0.610 175.781 175.328 -0.262 0.000 0.999 527 H CA 0.551 56.383 56.048 -0.362 0.000 1.157 527 H CB 0.804 30.289 29.762 -0.462 0.000 1.407 527 H HN 0.544 nan 8.280 nan 0.000 0.568 528 G N 1.147 109.846 108.800 -0.168 0.000 2.249 528 G HA2 -0.287 3.674 3.960 0.001 0.000 0.273 528 G HA3 -0.287 3.674 3.960 0.001 0.000 0.273 528 G C 0.003 174.841 174.900 -0.102 0.000 1.036 528 G CA 0.177 45.199 45.100 -0.129 0.000 0.824 528 G HN 0.222 nan 8.290 nan 0.000 0.504 529 K N -0.885 119.440 120.400 -0.125 0.000 2.313 529 K HA 0.812 5.133 4.320 0.001 0.000 0.235 529 K C 0.553 177.094 176.600 -0.099 0.000 1.035 529 K CA -0.778 55.443 56.287 -0.111 0.000 0.868 529 K CB 1.638 34.053 32.500 -0.142 0.000 1.232 529 K HN 0.302 nan 8.250 nan 0.000 0.459 530 R N -0.611 119.851 120.500 -0.063 0.000 2.836 530 R HA 0.308 4.649 4.340 0.001 0.000 0.269 530 R C 0.579 176.894 176.300 0.024 0.000 1.010 530 R CA -0.607 55.506 56.100 0.021 0.000 0.930 530 R CB 0.850 31.198 30.300 0.081 0.000 1.218 530 R HN 0.486 nan 8.270 nan 0.000 0.473 531 Y N -0.141 120.201 120.300 0.069 0.000 2.243 531 Y HA -0.149 4.401 4.550 0.001 0.000 0.293 531 Y C 2.391 178.359 175.900 0.113 0.000 1.124 531 Y CA 1.834 60.011 58.100 0.128 0.000 1.159 531 Y CB 0.263 38.838 38.460 0.191 0.000 1.008 531 Y HN 0.589 nan 8.280 nan 0.000 0.527 532 S N -0.984 114.872 115.700 0.260 0.000 2.528 532 S HA -0.047 4.424 4.470 0.001 0.000 0.219 532 S C 0.910 175.584 174.600 0.123 0.000 0.985 532 S CA 0.705 59.014 58.200 0.183 0.000 0.914 532 S CB -0.203 63.082 63.200 0.141 0.000 0.776 532 S HN 0.544 nan 8.310 nan 0.000 0.526 533 D N -0.358 120.100 120.400 0.097 0.000 2.433 533 D HA 0.296 4.937 4.640 0.001 0.000 0.211 533 D C 1.347 177.673 176.300 0.043 0.000 1.114 533 D CA 0.450 54.489 54.000 0.064 0.000 0.837 533 D CB -0.387 40.444 40.800 0.052 0.000 0.984 533 D HN 0.485 nan 8.370 nan 0.000 0.505 534 G N 0.704 109.527 108.800 0.038 0.000 2.159 534 G HA2 -0.353 3.607 3.960 0.001 0.000 0.256 534 G HA3 -0.353 3.607 3.960 0.001 0.000 0.256 534 G C 1.138 176.036 174.900 -0.003 0.000 0.977 534 G CA 0.807 45.912 45.100 0.009 0.000 0.652 534 G HN 0.677 nan 8.290 nan 0.000 0.531 535 S N -0.912 114.787 115.700 -0.001 0.000 2.489 535 S HA 0.487 4.957 4.470 0.001 0.000 0.228 535 S C 2.075 176.656 174.600 -0.031 0.000 0.995 535 S CA 1.159 59.349 58.200 -0.016 0.000 0.934 535 S CB 0.237 63.428 63.200 -0.015 0.000 0.771 535 S HN 1.670 nan 8.310 nan 0.000 0.522 536 A N 1.034 123.834 122.820 -0.033 0.000 2.348 536 A HA 0.367 4.688 4.320 0.001 0.000 0.224 536 A C 1.622 179.217 177.584 0.019 0.000 1.227 536 A CA -0.114 51.901 52.037 -0.037 0.000 0.885 536 A CB -0.338 18.603 19.000 -0.098 0.000 0.933 536 A HN 0.423 nan 8.150 nan 0.000 0.506 537 N N 1.605 120.308 118.700 0.005 0.000 2.043 537 N HA -0.154 4.586 4.740 0.001 0.000 0.193 537 N C 1.325 176.870 175.510 0.057 0.000 1.037 537 N CA 1.754 54.810 53.050 0.010 0.000 0.851 537 N CB -0.272 38.193 38.487 -0.037 0.000 1.027 537 N HN 0.440 nan 8.380 nan 0.000 0.422 538 N N 0.336 119.056 118.700 0.033 0.000 2.216 538 N HA -0.063 4.677 4.740 0.001 0.000 0.183 538 N C 1.696 177.274 175.510 0.114 0.000 1.017 538 N CA 0.269 53.349 53.050 0.050 0.000 0.861 538 N CB -0.444 38.040 38.487 -0.004 0.000 0.986 538 N HN 0.170 nan 8.380 nan 0.000 0.428 539 L N 1.317 122.584 121.223 0.074 0.000 2.046 539 L HA -0.080 4.261 4.340 0.001 0.000 0.208 539 L C 1.878 178.876 176.870 0.213 0.000 1.077 539 L CA 1.729 56.612 54.840 0.071 0.000 0.747 539 L CB -1.177 40.853 42.059 -0.049 0.000 0.896 539 L HN 0.066 nan 8.230 nan 0.000 0.432 540 T N -1.206 113.510 114.554 0.270 0.000 2.708 540 T HA -0.237 4.113 4.350 0.001 0.000 0.266 540 T C 1.841 176.776 174.700 0.392 0.000 1.037 540 T CA 1.536 63.881 62.100 0.408 0.000 1.146 540 T CB -0.555 68.484 68.868 0.284 0.000 0.865 540 T HN 0.517 nan 8.240 nan 0.000 0.435 541 H N 1.692 120.883 119.070 0.202 0.000 2.319 541 H HA -0.072 4.485 4.556 0.001 0.000 0.297 541 H C 2.442 177.874 175.328 0.173 0.000 1.097 541 H CA 2.008 58.195 56.048 0.232 0.000 1.285 541 H CB -0.204 29.645 29.762 0.144 0.000 1.368 541 H HN 0.307 nan 8.280 nan 0.000 0.495 542 K N -0.288 120.321 120.400 0.348 0.000 2.026 542 K HA -0.114 4.206 4.320 0.001 0.000 0.208 542 K C 2.148 178.809 176.600 0.102 0.000 1.048 542 K CA 1.843 58.284 56.287 0.257 0.000 0.929 542 K CB -0.031 32.594 32.500 0.208 0.000 0.713 542 K HN 0.249 nan 8.250 nan 0.000 0.439 543 T N 0.470 115.090 114.554 0.111 0.000 2.746 543 T HA -0.112 4.238 4.350 0.001 0.000 0.267 543 T C 1.517 176.061 174.700 -0.259 0.000 1.039 543 T CA 1.555 63.632 62.100 -0.039 0.000 1.142 543 T CB -0.260 68.618 68.868 0.015 0.000 0.866 543 T HN 0.196 nan 8.240 nan 0.000 0.444 544 F N 0.888 120.738 119.950 -0.168 0.000 2.569 544 F HA 0.192 4.719 4.527 0.001 0.000 0.295 544 F C 2.447 177.843 175.800 -0.675 0.000 1.115 544 F CA 0.211 58.066 58.000 -0.242 0.000 1.450 544 F CB -0.101 38.856 39.000 -0.072 0.000 1.107 544 F HN 0.140 nan 8.300 nan 0.000 0.563 545 E N 0.825 120.434 120.200 -0.985 0.000 2.038 545 E HA -0.252 4.099 4.350 0.001 0.000 0.195 545 E C 2.422 178.876 176.600 -0.242 0.000 1.000 545 E CA 1.246 56.995 56.400 -1.084 0.000 0.803 545 E CB -0.148 29.241 29.700 -0.520 0.000 0.750 545 E HN 0.323 nan 8.360 nan 0.000 0.448 546 A N 1.196 123.942 122.820 -0.122 0.000 1.883 546 A HA -0.199 4.121 4.320 0.001 0.000 0.217 546 A C 2.212 179.695 177.584 -0.168 0.000 1.186 546 A CA 1.538 53.478 52.037 -0.162 0.000 0.624 546 A CB -0.724 18.305 19.000 0.049 0.000 0.822 546 A HN 0.319 nan 8.150 nan 0.000 0.444 547 I N -1.067 119.407 120.570 -0.160 0.000 2.127 547 I HA -0.302 3.868 4.170 0.001 0.000 0.241 547 I C 2.821 178.962 176.117 0.041 0.000 1.075 547 I CA 1.974 63.222 61.300 -0.087 0.000 1.334 547 I CB -0.295 37.624 38.000 -0.135 0.000 1.040 547 I HN 0.396 nan 8.210 nan 0.000 0.405 548 Q N 0.148 119.999 119.800 0.085 0.000 2.079 548 Q HA -0.250 4.090 4.340 0.001 0.000 0.200 548 Q C 2.076 178.130 176.000 0.091 0.000 0.974 548 Q CA 1.726 57.660 55.803 0.218 0.000 0.840 548 Q CB -0.554 28.468 28.738 0.472 0.000 0.898 548 Q HN 0.540 nan 8.270 nan 0.000 0.430 549 Y N -0.553 119.605 120.300 -0.237 0.000 2.097 549 Y HA -0.309 4.241 4.550 0.001 0.000 0.282 549 Y C 1.526 177.074 175.900 -0.586 0.000 1.152 549 Y CA 2.095 59.740 58.100 -0.759 0.000 1.136 549 Y CB -0.455 37.292 38.460 -1.187 0.000 0.975 549 Y HN 0.199 nan 8.280 nan 0.000 0.498 550 Y N -0.231 119.864 120.300 -0.341 0.000 2.293 550 Y HA -0.165 4.386 4.550 0.001 0.000 0.291 550 Y C 2.363 178.121 175.900 -0.237 0.000 1.137 550 Y CA 1.103 58.997 58.100 -0.342 0.000 1.202 550 Y CB -0.715 37.588 38.460 -0.261 0.000 0.990 550 Y HN 0.170 nan 8.280 nan 0.000 0.537 551 L N -1.028 120.205 121.223 0.016 0.000 2.027 551 L HA -0.239 4.101 4.340 0.001 0.000 0.206 551 L C 2.246 179.070 176.870 -0.077 0.000 1.074 551 L CA 1.204 56.067 54.840 0.039 0.000 0.745 551 L CB -0.726 41.399 42.059 0.110 0.000 0.898 551 L HN 0.214 nan 8.230 nan 0.000 0.433 552 L N -0.324 120.806 121.223 -0.155 0.000 2.042 552 L HA -0.267 4.074 4.340 0.001 0.000 0.210 552 L C 2.720 179.421 176.870 -0.282 0.000 1.076 552 L CA 1.401 56.102 54.840 -0.232 0.000 0.749 552 L CB -0.518 41.403 42.059 -0.231 0.000 0.893 552 L HN 0.251 nan 8.230 nan 0.000 0.432 553 K N 0.068 120.233 120.400 -0.392 0.000 2.057 553 K HA -0.192 4.128 4.320 0.001 0.000 0.207 553 K C 2.150 178.638 176.600 -0.187 0.000 1.049 553 K CA 1.368 57.438 56.287 -0.361 0.000 0.931 553 K CB -0.075 32.124 32.500 -0.502 0.000 0.714 553 K HN 0.296 nan 8.250 nan 0.000 0.440 554 A N 0.202 122.949 122.820 -0.122 0.000 1.902 554 A HA -0.144 4.176 4.320 0.001 0.000 0.217 554 A C 2.145 179.687 177.584 -0.071 0.000 1.181 554 A CA 2.084 54.087 52.037 -0.057 0.000 0.623 554 A CB -0.669 18.330 19.000 -0.002 0.000 0.818 554 A HN 0.363 nan 8.150 nan 0.000 0.443 555 S N -0.538 115.103 115.700 -0.100 0.000 2.406 555 S HA -0.134 4.336 4.470 0.001 0.000 0.228 555 S C 1.997 176.506 174.600 -0.151 0.000 1.020 555 S CA 1.147 59.277 58.200 -0.116 0.000 0.965 555 S CB -0.602 62.519 63.200 -0.132 0.000 0.798 555 S HN 0.743 nan 8.310 nan 0.000 0.488 556 N N 0.238 118.838 118.700 -0.168 0.000 2.106 556 N HA -0.116 4.624 4.740 0.001 0.000 0.188 556 N C 1.495 176.917 175.510 -0.147 0.000 1.029 556 N CA 1.125 54.076 53.050 -0.166 0.000 0.848 556 N CB -0.083 38.309 38.487 -0.158 0.000 1.007 556 N HN 0.345 nan 8.380 nan 0.000 0.423 557 E N 0.991 121.112 120.200 -0.132 0.000 2.110 557 E HA -0.161 4.190 4.350 0.001 0.000 0.193 557 E C 2.007 178.552 176.600 -0.092 0.000 0.988 557 E CA 0.438 56.769 56.400 -0.115 0.000 0.804 557 E CB -0.336 29.317 29.700 -0.079 0.000 0.745 557 E HN 0.349 nan 8.360 nan 0.000 0.458 558 L N 0.924 122.099 121.223 -0.079 0.000 2.093 558 L HA -0.054 4.286 4.340 0.001 0.000 0.208 558 L C 2.181 178.992 176.870 -0.097 0.000 1.085 558 L CA 1.797 56.595 54.840 -0.069 0.000 0.755 558 L CB -0.694 41.331 42.059 -0.056 0.000 0.904 558 L HN 0.022 nan 8.230 nan 0.000 0.435 559 A N -0.652 122.093 122.820 -0.125 0.000 1.933 559 A HA -0.230 4.090 4.320 0.001 0.000 0.218 559 A C 2.311 179.832 177.584 -0.105 0.000 1.175 559 A CA 1.861 53.814 52.037 -0.141 0.000 0.628 559 A CB -0.474 18.399 19.000 -0.211 0.000 0.814 559 A HN 0.495 nan 8.150 nan 0.000 0.444 560 K N -0.681 119.650 120.400 -0.114 0.000 2.032 560 K HA -0.197 4.123 4.320 0.001 0.000 0.209 560 K C 2.143 178.689 176.600 -0.089 0.000 1.048 560 K CA 1.639 57.853 56.287 -0.122 0.000 0.927 560 K CB -0.152 32.212 32.500 -0.226 0.000 0.712 560 K HN 0.702 nan 8.250 nan 0.000 0.441 561 E N 0.575 120.722 120.200 -0.088 0.000 2.107 561 E HA -0.162 4.189 4.350 0.001 0.000 0.191 561 E C 1.448 177.996 176.600 -0.087 0.000 0.982 561 E CA 1.069 57.422 56.400 -0.079 0.000 0.809 561 E CB 0.355 30.014 29.700 -0.069 0.000 0.756 561 E HN 0.303 nan 8.360 nan 0.000 0.459 562 Q N -1.280 118.466 119.800 -0.091 0.000 2.157 562 Q HA 0.249 4.589 4.340 0.001 0.000 0.235 562 Q C -0.325 175.628 176.000 -0.079 0.000 0.803 562 Q CA 0.246 55.992 55.803 -0.095 0.000 0.967 562 Q CB 2.296 30.965 28.738 -0.116 0.000 1.150 562 Q HN 0.243 nan 8.270 nan 0.000 0.482 563 G N 1.427 110.181 108.800 -0.076 0.000 2.911 563 G HA2 0.075 4.035 3.960 0.001 0.000 0.686 563 G HA3 0.075 4.035 3.960 0.001 0.000 0.686 563 G C -0.446 174.395 174.900 -0.099 0.000 1.136 563 G CA -0.555 44.503 45.100 -0.070 0.000 0.764 563 G HN 0.291 nan 8.290 nan 0.000 0.626 564 A N 1.124 123.867 122.820 -0.128 0.000 2.429 564 A HA 0.614 4.934 4.320 0.001 0.000 0.242 564 A C 1.686 179.225 177.584 -0.075 0.000 1.088 564 A CA 0.615 52.534 52.037 -0.196 0.000 0.784 564 A CB -0.294 18.484 19.000 -0.371 0.000 1.038 564 A HN 2.561 nan 8.150 nan 0.000 0.501 565 C N -0.470 118.812 119.300 -0.030 0.000 2.676 565 C HA 0.411 4.871 4.460 0.001 0.000 0.416 565 C C -1.113 173.930 174.990 0.087 0.000 1.299 565 C CA -1.012 58.015 59.018 0.016 0.000 2.048 565 C CB -0.222 27.541 27.740 0.039 0.000 2.713 565 C HN 0.676 nan 8.230 nan 0.000 0.624 566 P HA -0.114 nan 4.420 nan 0.000 0.217 566 P C 0.620 178.130 177.300 0.350 0.000 1.151 566 P CA 1.872 65.024 63.100 0.087 0.000 0.849 566 P CB -0.057 31.585 31.700 -0.096 0.000 0.787 567 W N -2.347 119.024 121.300 0.118 0.000 3.151 567 W HA 0.345 5.005 4.660 0.001 0.000 0.424 567 W C 1.201 177.820 176.519 0.168 0.000 1.012 567 W CA -1.431 55.986 57.345 0.120 0.000 2.018 567 W CB -1.728 27.788 29.460 0.093 0.000 1.087 567 W HN -0.074 nan 8.180 nan 0.000 0.740 568 F N 3.297 123.387 119.950 0.235 0.000 2.192 568 F HA -0.325 4.203 4.527 0.001 0.000 0.301 568 F C 2.114 178.008 175.800 0.156 0.000 1.079 568 F CA 2.136 60.232 58.000 0.160 0.000 1.303 568 F CB -0.335 38.721 39.000 0.094 0.000 1.024 568 F HN -0.029 nan 8.300 nan 0.000 0.494 569 N N 0.596 119.333 118.700 0.062 0.000 2.520 569 N HA -0.192 4.549 4.740 0.001 0.000 0.185 569 N C 1.050 176.515 175.510 -0.075 0.000 1.068 569 N CA 1.403 54.417 53.050 -0.059 0.000 0.911 569 N CB -0.893 37.621 38.487 0.047 0.000 0.961 569 N HN 0.539 nan 8.380 nan 0.000 0.446 570 E N 0.077 120.278 120.200 0.002 0.000 2.478 570 E HA -0.005 4.346 4.350 0.001 0.000 0.194 570 E C 0.163 176.799 176.600 0.059 0.000 1.045 570 E CA 0.257 56.686 56.400 0.048 0.000 0.868 570 E CB 0.238 30.010 29.700 0.121 0.000 0.885 570 E HN 0.542 nan 8.360 nan 0.000 0.505 571 T N -1.341 113.159 114.554 -0.090 0.000 2.913 571 T HA 0.094 4.444 4.350 0.001 0.000 0.287 571 T C 1.526 176.111 174.700 -0.191 0.000 1.008 571 T CA -0.255 61.751 62.100 -0.156 0.000 1.067 571 T CB 1.638 70.377 68.868 -0.215 0.000 0.996 571 T HN -0.018 nan 8.240 nan 0.000 0.513 572 T N -0.679 113.757 114.554 -0.196 0.000 2.867 572 T HA -0.149 4.201 4.350 0.001 0.000 0.268 572 T C 1.473 176.053 174.700 -0.201 0.000 1.057 572 T CA 0.884 62.861 62.100 -0.204 0.000 1.136 572 T CB -0.993 67.727 68.868 -0.246 0.000 0.874 572 T HN 0.645 nan 8.240 nan 0.000 0.466 573 Y N 2.365 122.577 120.300 -0.147 0.000 2.193 573 Y HA -0.024 4.527 4.550 0.001 0.000 0.285 573 Y C 3.023 178.871 175.900 -0.087 0.000 1.166 573 Y CA 0.758 58.828 58.100 -0.050 0.000 1.181 573 Y CB -1.036 37.464 38.460 0.068 0.000 0.976 573 Y HN 0.359 nan 8.280 nan 0.000 0.520 574 A N -0.120 122.520 122.820 -0.300 0.000 2.019 574 A HA -0.163 4.158 4.320 0.001 0.000 0.219 574 A C 1.963 179.513 177.584 -0.057 0.000 1.164 574 A CA 1.410 53.222 52.037 -0.375 0.000 0.644 574 A CB -0.420 18.170 19.000 -0.683 0.000 0.805 574 A HN 0.409 nan 8.150 nan 0.000 0.449 575 K N -1.114 119.250 120.400 -0.060 0.000 2.458 575 K HA 0.224 4.544 4.320 0.001 0.000 0.194 575 K C 0.898 177.510 176.600 0.021 0.000 1.024 575 K CA 0.406 56.682 56.287 -0.018 0.000 1.108 575 K CB -0.081 32.394 32.500 -0.043 0.000 0.846 575 K HN 0.600 nan 8.250 nan 0.000 0.518 576 G N 2.130 110.971 108.800 0.068 0.000 2.179 576 G HA2 -0.269 3.692 3.960 0.001 0.000 0.257 576 G HA3 -0.269 3.692 3.960 0.001 0.000 0.257 576 G C 0.046 174.986 174.900 0.066 0.000 1.010 576 G CA 0.010 45.168 45.100 0.097 0.000 0.736 576 G HN 0.287 nan 8.290 nan 0.000 0.513 577 I N 0.364 120.937 120.570 0.006 0.000 2.353 577 I HA 0.549 4.719 4.170 0.001 0.000 0.293 577 I C 0.699 176.741 176.117 -0.125 0.000 0.992 577 I CA -0.758 60.510 61.300 -0.053 0.000 1.268 577 I CB 1.237 39.178 38.000 -0.099 0.000 1.387 577 I HN -0.028 nan 8.210 nan 0.000 0.478 578 L N 7.459 128.653 121.223 -0.049 0.000 2.319 578 L HA 0.473 4.814 4.340 0.001 0.000 0.267 578 L C -1.487 175.348 176.870 -0.057 0.000 1.011 578 L CA -1.592 53.245 54.840 -0.006 0.000 0.818 578 L CB 1.924 44.124 42.059 0.235 0.000 1.316 578 L HN 0.339 nan 8.230 nan 0.000 0.432 579 P HA -0.165 nan 4.420 nan 0.000 0.219 579 P C 1.316 178.630 177.300 0.023 0.000 1.146 579 P CA 1.404 64.515 63.100 0.019 0.000 0.808 579 P CB -0.051 31.677 31.700 0.047 0.000 0.779 580 I N -3.743 116.733 120.570 -0.155 0.000 3.334 580 I HA -0.006 4.164 4.170 0.001 0.000 0.282 580 I C 0.871 177.019 176.117 0.051 0.000 1.313 580 I CA 1.212 62.401 61.300 -0.185 0.000 1.396 580 I CB -0.683 37.035 38.000 -0.471 0.000 1.054 580 I HN -0.257 nan 8.210 nan 0.000 0.495 581 D N 0.959 121.368 120.400 0.014 0.000 2.388 581 D HA -0.000 4.640 4.640 0.001 0.000 0.208 581 D C 1.903 178.125 176.300 -0.130 0.000 1.035 581 D CA 1.502 55.478 54.000 -0.040 0.000 0.875 581 D CB 0.342 41.122 40.800 -0.034 0.000 0.984 581 D HN 0.556 nan 8.370 nan 0.000 0.508 582 T N -1.893 112.620 114.554 -0.069 0.000 3.040 582 T HA 0.103 4.453 4.350 0.001 0.000 0.266 582 T C 0.826 175.361 174.700 -0.275 0.000 1.005 582 T CA -0.666 61.377 62.100 -0.095 0.000 0.906 582 T CB -0.595 68.316 68.868 0.073 0.000 1.082 582 T HN 0.108 nan 8.240 nan 0.000 0.531 583 Y N 1.313 121.335 120.300 -0.462 0.000 2.335 583 Y HA 0.610 5.160 4.550 0.001 0.000 0.348 583 Y C 0.477 176.052 175.900 -0.541 0.000 1.280 583 Y CA -1.780 55.788 58.100 -0.887 0.000 1.504 583 Y CB 0.414 38.451 38.460 -0.705 0.000 1.366 583 Y HN -0.183 nan 8.280 nan 0.000 0.621 584 K N 1.857 122.014 120.400 -0.404 0.000 2.402 584 K HA 0.080 4.400 4.320 0.001 0.000 0.285 584 K C 0.220 176.731 176.600 -0.149 0.000 1.054 584 K CA 0.229 56.327 56.287 -0.315 0.000 1.001 584 K CB 0.561 32.864 32.500 -0.329 0.000 0.946 584 K HN 0.758 nan 8.250 nan 0.000 0.473 585 K N 2.372 122.620 120.400 -0.254 0.000 2.280 585 K HA -0.108 4.212 4.320 0.001 0.000 0.202 585 K C 0.776 177.392 176.600 0.026 0.000 1.047 585 K CA 1.283 57.469 56.287 -0.168 0.000 0.942 585 K CB 0.145 32.515 32.500 -0.217 0.000 0.739 585 K HN 0.651 nan 8.250 nan 0.000 0.457 586 D N 0.988 121.407 120.400 0.031 0.000 2.271 586 D HA -0.176 4.465 4.640 0.001 0.000 0.207 586 D C 1.583 178.026 176.300 0.238 0.000 0.983 586 D CA 0.952 55.024 54.000 0.120 0.000 0.878 586 D CB 0.046 40.890 40.800 0.074 0.000 0.920 586 D HN 0.249 nan 8.370 nan 0.000 0.479 587 L N 0.860 122.207 121.223 0.207 0.000 2.265 587 L HA -0.172 4.168 4.340 0.001 0.000 0.215 587 L C 1.804 178.710 176.870 0.059 0.000 1.117 587 L CA 0.715 55.618 54.840 0.105 0.000 0.782 587 L CB -0.270 41.805 42.059 0.027 0.000 0.914 587 L HN -0.116 nan 8.230 nan 0.000 0.441 588 D N -0.515 119.955 120.400 0.116 0.000 2.263 588 D HA -0.151 4.489 4.640 0.001 0.000 0.208 588 D C 2.196 178.513 176.300 0.028 0.000 0.971 588 D CA 1.821 55.858 54.000 0.062 0.000 0.867 588 D CB -0.085 40.764 40.800 0.083 0.000 0.929 588 D HN 0.419 nan 8.370 nan 0.000 0.492 589 T N -1.498 113.092 114.554 0.061 0.000 3.088 589 T HA 0.014 4.364 4.350 0.001 0.000 0.259 589 T C 1.847 176.566 174.700 0.032 0.000 1.122 589 T CA 0.174 62.309 62.100 0.059 0.000 1.095 589 T CB -0.318 68.615 68.868 0.107 0.000 0.930 589 T HN 0.377 nan 8.240 nan 0.000 0.508 590 I N -2.108 118.453 120.570 -0.015 0.000 4.154 590 I HA 0.765 4.936 4.170 0.001 0.000 0.334 590 I C 0.412 176.471 176.117 -0.097 0.000 1.371 590 I CA -1.070 60.178 61.300 -0.086 0.000 1.110 590 I CB 0.448 38.297 38.000 -0.252 0.000 1.085 590 I HN 0.228 nan 8.210 nan 0.000 0.398 591 A N 2.342 125.109 122.820 -0.089 0.000 2.547 591 A HA 0.627 4.947 4.320 0.001 0.000 0.297 591 A C -0.627 176.866 177.584 -0.153 0.000 1.056 591 A CA -0.503 51.466 52.037 -0.114 0.000 0.688 591 A CB 1.026 19.963 19.000 -0.104 0.000 1.282 591 A HN 0.307 nan 8.150 nan 0.000 0.400 592 N N 0.454 119.053 118.700 -0.169 0.000 2.194 592 N HA 0.129 4.869 4.740 0.001 0.000 0.231 592 N C -0.242 175.130 175.510 -0.230 0.000 1.247 592 N CA -0.157 52.790 53.050 -0.171 0.000 0.884 592 N CB 0.375 38.802 38.487 -0.099 0.000 1.146 592 N HN 0.604 nan 8.380 nan 0.000 0.516 593 E N 3.148 123.150 120.200 -0.330 0.000 2.480 593 E HA 0.119 4.470 4.350 0.001 0.000 0.258 593 E C -2.072 174.288 176.600 -0.400 0.000 0.984 593 E CA -1.268 54.940 56.400 -0.320 0.000 0.930 593 E CB 0.566 30.096 29.700 -0.282 0.000 0.936 593 E HN 0.289 nan 8.360 nan 0.000 0.466 594 P HA 0.066 nan 4.420 nan 0.000 0.274 594 P C -0.483 176.589 177.300 -0.379 0.000 1.237 594 P CA -0.230 62.680 63.100 -0.316 0.000 0.793 594 P CB 0.586 32.094 31.700 -0.319 0.000 0.977 595 L N 2.708 123.831 121.223 -0.168 0.000 2.453 595 L HA 0.072 4.412 4.340 0.001 0.000 0.272 595 L C 1.778 178.500 176.870 -0.247 0.000 1.182 595 L CA -0.048 54.768 54.840 -0.040 0.000 0.858 595 L CB -0.125 41.992 42.059 0.096 0.000 1.120 595 L HN 0.489 nan 8.230 nan 0.000 0.474 596 H N 2.004 121.043 119.070 -0.052 0.000 2.705 596 H HA 0.171 4.728 4.556 0.001 0.000 0.269 596 H C -0.523 174.433 175.328 -0.620 0.000 0.998 596 H CA 0.156 55.992 56.048 -0.353 0.000 1.193 596 H CB 0.479 29.924 29.762 -0.528 0.000 1.485 596 H HN 0.411 nan 8.280 nan 0.000 0.521 597 Y N 0.520 120.779 120.300 -0.068 0.000 2.528 597 Y HA 0.189 4.739 4.550 0.001 0.000 0.335 597 Y C 0.514 176.272 175.900 -0.236 0.000 1.093 597 Y CA -1.291 56.514 58.100 -0.492 0.000 1.134 597 Y CB 1.100 38.654 38.460 -1.511 0.000 1.253 597 Y HN -0.138 nan 8.280 nan 0.000 0.478 598 D N 1.219 121.556 120.400 -0.105 0.000 2.470 598 D HA 0.023 4.663 4.640 0.001 0.000 0.226 598 D C -0.155 176.246 176.300 0.168 0.000 1.196 598 D CA -0.017 54.035 54.000 0.086 0.000 0.979 598 D CB -0.053 40.802 40.800 0.091 0.000 1.059 598 D HN 0.508 nan 8.370 nan 0.000 0.515 599 W N 1.673 123.084 121.300 0.183 0.000 2.584 599 W HA -0.001 4.660 4.660 0.001 0.000 0.264 599 W C 1.949 178.574 176.519 0.176 0.000 1.264 599 W CA -0.118 57.366 57.345 0.232 0.000 1.306 599 W CB 0.323 29.910 29.460 0.211 0.000 1.110 599 W HN 0.327 nan 8.180 nan 0.000 0.606 600 E N 0.142 120.532 120.200 0.317 0.000 2.072 600 E HA -0.105 4.245 4.350 0.001 0.000 0.190 600 E C 2.260 178.961 176.600 0.167 0.000 0.982 600 E CA 1.387 57.915 56.400 0.213 0.000 0.803 600 E CB -1.002 28.793 29.700 0.158 0.000 0.755 600 E HN 0.213 nan 8.360 nan 0.000 0.453 601 A N 1.532 124.442 122.820 0.150 0.000 1.858 601 A HA -0.162 4.159 4.320 0.001 0.000 0.216 601 A C 2.277 179.927 177.584 0.110 0.000 1.190 601 A CA 1.441 53.548 52.037 0.117 0.000 0.617 601 A CB -0.745 18.318 19.000 0.105 0.000 0.827 601 A HN 0.253 nan 8.150 nan 0.000 0.443 602 L N 0.086 121.374 121.223 0.108 0.000 2.042 602 L HA -0.181 4.159 4.340 0.001 0.000 0.210 602 L C 2.452 179.393 176.870 0.118 0.000 1.076 602 L CA 2.523 57.391 54.840 0.047 0.000 0.749 602 L CB -0.680 41.337 42.059 -0.071 0.000 0.893 602 L HN 0.497 nan 8.230 nan 0.000 0.432 603 R N -0.718 119.897 120.500 0.192 0.000 2.096 603 R HA -0.203 4.138 4.340 0.001 0.000 0.240 603 R C 2.066 178.461 176.300 0.159 0.000 1.139 603 R CA 1.903 58.128 56.100 0.209 0.000 0.952 603 R CB -0.180 30.246 30.300 0.211 0.000 0.854 603 R HN 0.433 nan 8.270 nan 0.000 0.436 604 E N -0.082 120.194 120.200 0.128 0.000 2.107 604 E HA -0.106 4.244 4.350 0.001 0.000 0.191 604 E C 1.922 178.578 176.600 0.093 0.000 0.982 604 E CA 1.017 57.476 56.400 0.098 0.000 0.809 604 E CB -0.430 29.319 29.700 0.083 0.000 0.756 604 E HN 0.227 nan 8.360 nan 0.000 0.459 605 S N 0.225 115.993 115.700 0.113 0.000 2.399 605 S HA -0.063 4.407 4.470 0.001 0.000 0.231 605 S C 1.991 176.681 174.600 0.149 0.000 1.022 605 S CA 0.610 58.907 58.200 0.162 0.000 0.983 605 S CB -0.097 63.176 63.200 0.121 0.000 0.803 605 S HN 0.157 nan 8.310 nan 0.000 0.480 606 I N 0.611 121.253 120.570 0.121 0.000 2.277 606 I HA -0.074 4.096 4.170 0.001 0.000 0.243 606 I C 2.624 178.869 176.117 0.213 0.000 1.094 606 I CA 0.901 62.284 61.300 0.137 0.000 1.393 606 I CB -0.291 37.832 38.000 0.206 0.000 1.078 606 I HN 0.219 nan 8.210 nan 0.000 0.417 607 K N 0.373 120.896 120.400 0.205 0.000 2.103 607 K HA -0.180 4.140 4.320 0.001 0.000 0.207 607 K C 1.966 178.632 176.600 0.109 0.000 1.048 607 K CA 1.888 58.291 56.287 0.192 0.000 0.930 607 K CB -0.002 32.574 32.500 0.126 0.000 0.716 607 K HN 0.328 nan 8.250 nan 0.000 0.444 608 T N -1.167 113.379 114.554 -0.015 0.000 2.866 608 T HA -0.018 4.332 4.350 0.001 0.000 0.250 608 T C 1.209 175.723 174.700 -0.311 0.000 1.033 608 T CA 1.067 63.041 62.100 -0.210 0.000 1.145 608 T CB -0.139 68.490 68.868 -0.398 0.000 0.866 608 T HN 0.382 nan 8.240 nan 0.000 0.434 609 H N 0.172 119.222 119.070 -0.033 0.000 2.592 609 H HA 0.491 5.047 4.556 0.001 0.000 0.265 609 H C 1.354 176.541 175.328 -0.234 0.000 0.955 609 H CA 0.227 56.215 56.048 -0.099 0.000 1.175 609 H CB 0.205 29.911 29.762 -0.093 0.000 1.433 609 H HN 0.538 nan 8.280 nan 0.000 0.537 610 G N 0.355 109.000 108.800 -0.259 0.000 2.725 610 G HA2 -0.217 3.743 3.960 0.001 0.000 0.220 610 G HA3 -0.217 3.743 3.960 0.001 0.000 0.220 610 G C -0.996 173.410 174.900 -0.824 0.000 1.357 610 G CA -0.533 43.968 45.100 -0.998 0.000 0.866 610 G HN 0.177 nan 8.290 nan 0.000 0.548 611 L N -0.640 119.873 121.223 -1.183 0.000 2.354 611 L HA 0.629 4.970 4.340 0.001 0.000 0.269 611 L C 1.461 178.114 176.870 -0.361 0.000 1.005 611 L CA -0.956 53.588 54.840 -0.493 0.000 0.819 611 L CB 1.979 43.871 42.059 -0.278 0.000 1.311 611 L HN 0.722 nan 8.230 nan 0.000 0.423 612 R N 1.493 121.864 120.500 -0.214 0.000 2.148 612 R HA -0.016 4.325 4.340 0.001 0.000 0.227 612 R C -0.337 175.919 176.300 -0.073 0.000 1.103 612 R CA 1.267 57.287 56.100 -0.134 0.000 0.983 612 R CB -0.071 30.164 30.300 -0.108 0.000 0.874 612 R HN 0.692 nan 8.270 nan 0.000 0.451 613 N N -1.231 117.432 118.700 -0.061 0.000 2.410 613 N HA 0.184 4.924 4.740 0.001 0.000 0.287 613 N C -0.537 174.983 175.510 0.017 0.000 1.044 613 N CA -0.327 52.715 53.050 -0.014 0.000 0.881 613 N CB 2.294 40.762 38.487 -0.032 0.000 1.405 613 N HN -0.156 nan 8.380 nan 0.000 0.490 614 S N -0.070 115.687 115.700 0.095 0.000 2.423 614 S HA -0.067 4.404 4.470 0.001 0.000 0.231 614 S C 0.909 175.495 174.600 -0.024 0.000 1.014 614 S CA 1.007 59.267 58.200 0.101 0.000 0.965 614 S CB -0.156 63.197 63.200 0.256 0.000 0.785 614 S HN 0.822 nan 8.310 nan 0.000 0.495 615 T N -1.946 112.629 114.554 0.036 0.000 2.903 615 T HA 0.714 5.064 4.350 0.001 0.000 0.299 615 T C 0.175 174.889 174.700 0.024 0.000 1.093 615 T CA -0.811 61.310 62.100 0.034 0.000 1.002 615 T CB 1.646 70.574 68.868 0.101 0.000 1.127 615 T HN -0.050 nan 8.240 nan 0.000 0.488 616 L N 1.119 122.359 121.223 0.028 0.000 2.730 616 L HA 0.368 4.708 4.340 0.001 0.000 0.236 616 L C 0.845 177.738 176.870 0.038 0.000 1.061 616 L CA -0.059 54.794 54.840 0.022 0.000 0.898 616 L CB 0.625 42.691 42.059 0.012 0.000 1.270 616 L HN 0.904 nan 8.230 nan 0.000 0.500 617 S N -0.197 115.543 115.700 0.067 0.000 2.536 617 S HA 0.906 5.377 4.470 0.001 0.000 0.298 617 S C -0.555 174.082 174.600 0.062 0.000 1.083 617 S CA -0.377 57.870 58.200 0.077 0.000 0.995 617 S CB 2.667 65.951 63.200 0.140 0.000 1.058 617 S HN 0.113 nan 8.310 nan 0.000 0.488 618 A N 2.122 124.969 122.820 0.045 0.000 2.577 618 A HA 0.605 4.926 4.320 0.001 0.000 0.297 618 A C -1.389 176.208 177.584 0.021 0.000 1.060 618 A CA -0.842 51.209 52.037 0.025 0.000 0.697 618 A CB 0.901 19.903 19.000 0.002 0.000 1.281 618 A HN 0.870 nan 8.150 nan 0.000 0.402 619 L N 4.285 125.515 121.223 0.011 0.000 2.272 619 L HA 0.432 4.773 4.340 0.001 0.000 0.284 619 L C 0.371 177.230 176.870 -0.019 0.000 1.045 619 L CA -0.546 54.303 54.840 0.015 0.000 0.842 619 L CB 0.859 42.924 42.059 0.010 0.000 1.224 619 L HN 0.837 nan 8.230 nan 0.000 0.430 620 M N 2.815 122.406 119.600 -0.015 0.000 2.368 620 M HA 0.667 5.147 4.480 0.001 0.000 0.311 620 M C -2.721 173.577 176.300 -0.005 0.000 1.168 620 M CA -2.143 53.129 55.300 -0.046 0.000 1.044 620 M CB 0.087 32.664 32.600 -0.037 0.000 1.506 620 M HN 0.019 nan 8.290 nan 0.000 0.475 621 P HA 0.296 nan 4.420 nan 0.000 0.272 621 P C -0.884 176.463 177.300 0.078 0.000 1.223 621 P CA -0.185 62.951 63.100 0.060 0.000 0.784 621 P CB 0.656 32.404 31.700 0.080 0.000 0.923 622 S N -0.126 115.639 115.700 0.108 0.000 2.634 622 S HA 0.693 5.163 4.470 0.001 0.000 0.296 622 S C 0.154 174.822 174.600 0.113 0.000 1.104 622 S CA -0.276 57.988 58.200 0.107 0.000 0.920 622 S CB 2.750 66.015 63.200 0.109 0.000 1.111 622 S HN 0.510 nan 8.310 nan 0.000 0.493 623 E N 0.427 120.688 120.200 0.101 0.000 3.575 623 E HA 0.128 4.479 4.350 0.001 0.000 0.263 623 E C 1.365 178.002 176.600 0.062 0.000 1.230 623 E CA 0.619 57.071 56.400 0.086 0.000 1.875 623 E CB -0.524 29.232 29.700 0.094 0.000 1.961 623 E HN 0.564 nan 8.360 nan 0.000 0.904 624 T N 0.549 115.144 114.554 0.067 0.000 2.652 624 T HA -0.132 4.218 4.350 0.001 0.000 0.267 624 T C 1.849 176.572 174.700 0.039 0.000 1.039 624 T CA 2.046 64.169 62.100 0.038 0.000 1.153 624 T CB -0.489 68.429 68.868 0.083 0.000 0.863 624 T HN 0.206 nan 8.240 nan 0.000 0.428 625 S N 2.181 117.947 115.700 0.110 0.000 2.368 625 S HA -0.119 4.352 4.470 0.001 0.000 0.225 625 S C 2.485 177.142 174.600 0.095 0.000 1.030 625 S CA 1.366 59.653 58.200 0.145 0.000 0.999 625 S CB -0.541 62.760 63.200 0.167 0.000 0.844 625 S HN 0.702 nan 8.310 nan 0.000 0.459 626 S N 1.878 117.626 115.700 0.080 0.000 2.453 626 S HA -0.067 4.403 4.470 0.001 0.000 0.231 626 S C 1.803 176.413 174.600 0.017 0.000 1.005 626 S CA 0.506 58.745 58.200 0.065 0.000 0.949 626 S CB -0.413 62.843 63.200 0.093 0.000 0.774 626 S HN 0.489 nan 8.310 nan 0.000 0.510 627 Q N 0.674 120.474 119.800 -0.000 0.000 2.079 627 Q HA 0.010 4.351 4.340 0.001 0.000 0.200 627 Q C 2.134 178.090 176.000 -0.073 0.000 0.974 627 Q CA 1.282 57.059 55.803 -0.042 0.000 0.840 627 Q CB -0.337 28.366 28.738 -0.059 0.000 0.898 627 Q HN 0.521 nan 8.270 nan 0.000 0.430 628 I N 0.597 121.126 120.570 -0.068 0.000 2.264 628 I HA -0.222 3.949 4.170 0.001 0.000 0.248 628 I C 1.720 177.730 176.117 -0.178 0.000 1.111 628 I CA 1.359 62.640 61.300 -0.031 0.000 1.382 628 I CB -0.800 37.249 38.000 0.082 0.000 1.060 628 I HN 0.083 nan 8.210 nan 0.000 0.418 629 S N 0.023 115.564 115.700 -0.264 0.000 2.575 629 S HA 0.005 4.475 4.470 0.001 0.000 0.215 629 S C 0.808 175.205 174.600 -0.338 0.000 0.966 629 S CA -0.174 57.682 58.200 -0.573 0.000 0.911 629 S CB -0.560 62.511 63.200 -0.215 0.000 0.780 629 S HN 0.533 nan 8.310 nan 0.000 0.514 630 N N 1.245 119.840 118.700 -0.175 0.000 2.705 630 N HA -0.232 4.508 4.740 0.001 0.000 0.255 630 N C -0.290 175.188 175.510 -0.053 0.000 1.008 630 N CA 0.123 53.124 53.050 -0.081 0.000 0.742 630 N CB -0.842 37.620 38.487 -0.042 0.000 0.906 630 N HN 0.530 nan 8.380 nan 0.000 0.541 631 A N 0.729 123.542 122.820 -0.012 0.000 2.311 631 A HA 0.622 4.942 4.320 0.001 0.000 0.334 631 A C 0.653 178.303 177.584 0.109 0.000 1.139 631 A CA 0.040 52.113 52.037 0.060 0.000 0.830 631 A CB 1.028 20.090 19.000 0.103 0.000 1.234 631 A HN 0.488 nan 8.150 nan 0.000 0.483 632 T N -0.256 114.414 114.554 0.193 0.000 2.900 632 T HA 0.223 4.573 4.350 0.001 0.000 0.307 632 T C 0.022 174.850 174.700 0.213 0.000 1.065 632 T CA -0.260 61.971 62.100 0.219 0.000 1.105 632 T CB -0.309 68.758 68.868 0.331 0.000 0.979 632 T HN 0.577 nan 8.240 nan 0.000 0.544 633 N N 1.608 120.419 118.700 0.185 0.000 2.442 633 N HA 0.456 5.196 4.740 0.001 0.000 0.265 633 N C 1.405 177.046 175.510 0.218 0.000 1.138 633 N CA 0.223 53.377 53.050 0.173 0.000 0.956 633 N CB 0.570 39.141 38.487 0.139 0.000 1.067 633 N HN 1.049 nan 8.380 nan 0.000 0.474 634 G N 2.736 111.659 108.800 0.205 0.000 2.698 634 G HA2 -0.376 3.585 3.960 0.001 0.000 0.337 634 G HA3 -0.376 3.585 3.960 0.001 0.000 0.337 634 G C 0.769 175.853 174.900 0.308 0.000 1.286 634 G CA 1.045 46.273 45.100 0.214 0.000 1.000 634 G HN 0.763 nan 8.290 nan 0.000 0.547 635 I N -1.454 119.299 120.570 0.306 0.000 3.956 635 I HA 0.457 4.628 4.170 0.001 0.000 0.333 635 I C 0.151 176.654 176.117 0.643 0.000 1.302 635 I CA -0.005 61.558 61.300 0.437 0.000 1.122 635 I CB 0.297 38.375 38.000 0.130 0.000 1.013 635 I HN 0.067 nan 8.210 nan 0.000 0.405 636 E N 3.490 123.948 120.200 0.430 0.000 2.313 636 E HA 0.345 4.695 4.350 0.001 0.000 0.276 636 E C -2.309 174.401 176.600 0.182 0.000 1.031 636 E CA -2.427 54.135 56.400 0.270 0.000 0.857 636 E CB 0.321 30.105 29.700 0.141 0.000 1.040 636 E HN 0.093 nan 8.360 nan 0.000 0.408 637 P HA 0.111 nan 4.420 nan 0.000 0.268 637 P C -2.376 174.853 177.300 -0.118 0.000 1.204 637 P CA -1.061 61.903 63.100 -0.227 0.000 0.768 637 P CB -0.223 31.110 31.700 -0.611 0.000 0.842 638 P HA 0.168 nan 4.420 nan 0.000 0.271 638 P C 0.720 177.913 177.300 -0.178 0.000 1.218 638 P CA -0.009 63.042 63.100 -0.082 0.000 0.780 638 P CB 1.029 32.676 31.700 -0.090 0.000 0.901 639 R N 1.137 121.541 120.500 -0.161 0.000 2.075 639 R HA 0.088 4.429 4.340 0.001 0.000 0.232 639 R C 1.344 177.567 176.300 -0.128 0.000 1.126 639 R CA 1.487 57.488 56.100 -0.165 0.000 0.963 639 R CB -0.295 29.975 30.300 -0.049 0.000 0.858 639 R HN 0.647 nan 8.270 nan 0.000 0.435 640 G N -2.450 106.263 108.800 -0.145 0.000 2.766 640 G HA2 0.283 4.243 3.960 0.001 0.000 0.288 640 G HA3 0.283 4.243 3.960 0.001 0.000 0.288 640 G C -0.658 174.095 174.900 -0.245 0.000 1.408 640 G CA -0.678 44.293 45.100 -0.215 0.000 0.852 640 G HN 0.001 nan 8.290 nan 0.000 0.487 641 Y N -0.895 119.391 120.300 -0.023 0.000 2.439 641 Y HA 0.222 4.772 4.550 0.001 0.000 0.292 641 Y C 1.237 177.068 175.900 -0.116 0.000 1.130 641 Y CA 0.288 58.348 58.100 -0.065 0.000 1.254 641 Y CB 0.117 38.577 38.460 -0.001 0.000 1.000 641 Y HN 0.074 nan 8.280 nan 0.000 0.554 642 V N -0.321 119.614 119.914 0.036 0.000 2.483 642 V HA 0.331 4.451 4.120 0.001 0.000 0.297 642 V C -0.202 175.889 176.094 -0.006 0.000 1.027 642 V CA -1.123 61.171 62.300 -0.009 0.000 0.855 642 V CB 1.774 33.578 31.823 -0.031 0.000 0.995 642 V HN -0.088 nan 8.190 nan 0.000 0.424 643 S N 4.795 120.491 115.700 -0.007 0.000 2.578 643 S HA 0.775 5.245 4.470 0.001 0.000 0.283 643 S C -0.438 174.165 174.600 0.004 0.000 1.195 643 S CA -0.317 57.883 58.200 0.001 0.000 1.050 643 S CB 1.079 64.280 63.200 0.002 0.000 1.012 643 S HN 0.524 nan 8.310 nan 0.000 0.511 644 I N 2.845 123.421 120.570 0.010 0.000 2.498 644 I HA 0.452 4.622 4.170 0.001 0.000 0.290 644 I C -1.007 175.119 176.117 0.014 0.000 1.032 644 I CA -0.696 60.611 61.300 0.012 0.000 1.073 644 I CB 1.945 39.952 38.000 0.011 0.000 1.251 644 I HN 0.380 nan 8.210 nan 0.000 0.426 645 K N 4.481 124.890 120.400 0.014 0.000 2.371 645 K HA 0.828 5.148 4.320 0.001 0.000 0.251 645 K C -0.760 175.849 176.600 0.016 0.000 0.934 645 K CA -0.563 55.732 56.287 0.012 0.000 0.798 645 K CB 1.974 34.476 32.500 0.002 0.000 1.204 645 K HN 0.566 nan 8.250 nan 0.000 0.427 646 A N 1.086 123.915 122.820 0.015 0.000 2.401 646 A HA 0.569 4.890 4.320 0.001 0.000 0.259 646 A C -0.329 177.264 177.584 0.014 0.000 1.103 646 A CA -0.150 51.897 52.037 0.017 0.000 0.789 646 A CB 0.359 19.368 19.000 0.016 0.000 1.035 646 A HN 0.549 nan 8.150 nan 0.000 0.491 647 S N 1.455 117.167 115.700 0.019 0.000 2.546 647 S HA 0.425 4.896 4.470 0.001 0.000 0.272 647 S C 0.949 175.563 174.600 0.024 0.000 1.140 647 S CA -0.360 57.850 58.200 0.017 0.000 0.920 647 S CB 1.204 64.412 63.200 0.013 0.000 1.083 647 S HN 0.862 nan 8.310 nan 0.000 0.476 648 K N 2.798 123.210 120.400 0.021 0.000 2.189 648 K HA -0.162 4.158 4.320 0.001 0.000 0.207 648 K C 0.405 177.026 176.600 0.034 0.000 1.046 648 K CA 2.034 58.336 56.287 0.024 0.000 0.928 648 K CB -1.033 31.479 32.500 0.021 0.000 0.720 648 K HN 0.668 nan 8.250 nan 0.000 0.458 649 D N 1.069 121.493 120.400 0.041 0.000 2.349 649 D HA 0.170 4.810 4.640 0.001 0.000 0.224 649 D C 0.869 177.216 176.300 0.078 0.000 1.029 649 D CA 1.114 55.152 54.000 0.063 0.000 0.879 649 D CB 0.323 41.168 40.800 0.075 0.000 0.906 649 D HN 0.549 nan 8.370 nan 0.000 0.528 650 G N 0.343 109.179 108.800 0.060 0.000 2.353 650 G HA2 -0.120 3.841 3.960 0.001 0.000 0.615 650 G HA3 -0.120 3.841 3.960 0.001 0.000 0.615 650 G C -0.848 174.087 174.900 0.058 0.000 1.280 650 G CA -1.026 44.108 45.100 0.057 0.000 1.000 650 G HN 0.102 nan 8.290 nan 0.000 0.516 651 I N 1.068 121.666 120.570 0.045 0.000 2.517 651 I HA 0.240 4.410 4.170 0.001 0.000 0.285 651 I C 0.591 176.753 176.117 0.075 0.000 1.106 651 I CA -0.041 61.284 61.300 0.041 0.000 1.402 651 I CB 0.419 38.429 38.000 0.017 0.000 1.399 651 I HN 0.261 nan 8.210 nan 0.000 0.535 652 L N 7.925 129.193 121.223 0.076 0.000 2.257 652 L HA 0.477 4.818 4.340 0.001 0.000 0.290 652 L C 0.179 177.091 176.870 0.070 0.000 1.044 652 L CA -0.456 54.450 54.840 0.110 0.000 0.810 652 L CB 0.542 42.627 42.059 0.043 0.000 1.193 652 L HN 0.576 nan 8.230 nan 0.000 0.425 653 R N 2.922 123.473 120.500 0.086 0.000 2.589 653 R HA 0.519 4.860 4.340 0.001 0.000 0.293 653 R C -0.853 175.466 176.300 0.031 0.000 0.963 653 R CA -0.696 55.425 56.100 0.035 0.000 0.905 653 R CB 2.485 32.788 30.300 0.005 0.000 1.144 653 R HN 0.534 nan 8.270 nan 0.000 0.459 654 Q N 2.033 121.833 119.800 0.001 0.000 2.274 654 Q HA 0.317 4.657 4.340 0.001 0.000 0.268 654 Q C -1.452 174.535 176.000 -0.022 0.000 1.015 654 Q CA -0.636 55.157 55.803 -0.017 0.000 0.775 654 Q CB 2.282 31.007 28.738 -0.021 0.000 1.256 654 Q HN 0.371 nan 8.270 nan 0.000 0.442 655 V N 3.983 123.880 119.914 -0.029 0.000 2.465 655 V HA 0.270 4.390 4.120 0.001 0.000 0.279 655 V C 0.558 176.665 176.094 0.021 0.000 1.045 655 V CA -0.782 61.503 62.300 -0.025 0.000 0.938 655 V CB 1.023 32.813 31.823 -0.054 0.000 0.986 655 V HN 0.698 nan 8.190 nan 0.000 0.467 656 V N 3.629 123.563 119.914 0.034 0.000 2.953 656 V HA 0.142 4.262 4.120 0.001 0.000 0.304 656 V C -1.966 174.206 176.094 0.130 0.000 1.138 656 V CA -1.055 61.266 62.300 0.034 0.000 1.266 656 V CB -0.591 31.131 31.823 -0.168 0.000 0.923 656 V HN 0.797 nan 8.190 nan 0.000 0.505 657 P HA 0.165 nan 4.420 nan 0.000 0.271 657 P C 0.004 177.408 177.300 0.173 0.000 1.216 657 P CA 0.452 63.536 63.100 -0.026 0.000 0.771 657 P CB 0.338 31.739 31.700 -0.497 0.000 0.864 658 D N 1.318 121.856 120.400 0.230 0.000 2.708 658 D HA -0.276 4.364 4.640 0.001 0.000 0.236 658 D C 0.430 176.984 176.300 0.422 0.000 1.146 658 D CA 0.600 54.811 54.000 0.352 0.000 0.662 658 D CB -1.683 39.361 40.800 0.406 0.000 1.059 658 D HN 0.501 nan 8.370 nan 0.000 0.428 659 Y N 0.448 120.913 120.300 0.275 0.000 2.151 659 Y HA -0.254 4.296 4.550 0.001 0.000 0.284 659 Y C 2.203 178.232 175.900 0.213 0.000 1.166 659 Y CA 2.685 60.929 58.100 0.239 0.000 1.163 659 Y CB -0.173 38.340 38.460 0.088 0.000 0.974 659 Y HN 0.362 nan 8.280 nan 0.000 0.511 660 E N -0.916 119.406 120.200 0.204 0.000 2.086 660 E HA -0.310 4.040 4.350 0.001 0.000 0.200 660 E C 1.725 178.220 176.600 -0.175 0.000 1.012 660 E CA 2.008 58.394 56.400 -0.023 0.000 0.812 660 E CB -0.331 29.294 29.700 -0.126 0.000 0.743 660 E HN 0.703 nan 8.360 nan 0.000 0.453 661 H N -1.331 117.775 119.070 0.061 0.000 2.582 661 H HA 0.134 4.690 4.556 0.001 0.000 0.269 661 H C 1.601 176.851 175.328 -0.129 0.000 0.962 661 H CA 0.527 56.561 56.048 -0.023 0.000 1.230 661 H CB 0.631 30.393 29.762 0.001 0.000 1.445 661 H HN 0.219 nan 8.280 nan 0.000 0.528 662 L N 1.287 122.522 121.223 0.020 0.000 2.858 662 L HA 0.049 4.389 4.340 0.001 0.000 0.251 662 L C 2.278 179.138 176.870 -0.018 0.000 1.149 662 L CA -0.038 54.782 54.840 -0.034 0.000 0.955 662 L CB -0.058 42.024 42.059 0.039 0.000 1.289 662 L HN 0.318 nan 8.230 nan 0.000 0.542 663 H N -0.385 118.600 119.070 -0.141 0.000 2.394 663 H HA -0.216 4.341 4.556 0.001 0.000 0.297 663 H C 0.608 175.972 175.328 0.061 0.000 1.113 663 H CA 1.752 57.627 56.048 -0.290 0.000 1.277 663 H CB -0.266 28.815 29.762 -1.136 0.000 1.370 663 H HN 0.363 nan 8.280 nan 0.000 0.506 664 D N 1.063 121.285 120.400 -0.297 0.000 2.249 664 D HA 0.113 4.753 4.640 0.001 0.000 0.205 664 D C 2.329 178.636 176.300 0.012 0.000 0.962 664 D CA 0.990 54.954 54.000 -0.060 0.000 0.860 664 D CB -0.054 40.648 40.800 -0.163 0.000 0.955 664 D HN 0.550 nan 8.370 nan 0.000 0.505 665 A N 0.336 123.129 122.820 -0.045 0.000 1.929 665 A HA -0.098 4.222 4.320 0.001 0.000 0.216 665 A C 0.635 178.226 177.584 0.011 0.000 1.176 665 A CA 0.415 52.414 52.037 -0.062 0.000 0.628 665 A CB -0.623 18.277 19.000 -0.167 0.000 0.816 665 A HN 0.100 nan 8.150 nan 0.000 0.444 666 Y N 0.549 120.928 120.300 0.133 0.000 2.597 666 Y HA 0.204 4.754 4.550 0.001 0.000 0.336 666 Y C 0.771 176.771 175.900 0.167 0.000 1.216 666 Y CA 0.517 58.734 58.100 0.197 0.000 1.463 666 Y CB 0.359 39.011 38.460 0.320 0.000 1.303 666 Y HN 0.369 nan 8.280 nan 0.000 0.576 667 E N 4.520 124.920 120.200 0.334 0.000 2.101 667 E HA 0.309 4.659 4.350 0.001 0.000 0.260 667 E C -1.166 175.502 176.600 0.113 0.000 0.897 667 E CA -0.460 56.068 56.400 0.213 0.000 0.744 667 E CB 0.379 30.209 29.700 0.216 0.000 1.140 667 E HN 0.596 nan 8.360 nan 0.000 0.419 668 L N 4.594 125.828 121.223 0.019 0.000 2.467 668 L HA -0.020 4.321 4.340 0.001 0.000 0.270 668 L C 1.743 178.509 176.870 -0.172 0.000 1.205 668 L CA -0.303 54.463 54.840 -0.123 0.000 0.828 668 L CB 0.240 42.175 42.059 -0.206 0.000 1.101 668 L HN 0.716 nan 8.230 nan 0.000 0.479 669 L N 2.332 123.362 121.223 -0.322 0.000 2.010 669 L HA -0.220 4.120 4.340 0.001 0.000 0.219 669 L C 1.693 178.265 176.870 -0.498 0.000 1.077 669 L CA 2.180 56.686 54.840 -0.556 0.000 0.773 669 L CB -0.452 41.092 42.059 -0.858 0.000 0.892 669 L HN 0.586 nan 8.230 nan 0.000 0.436 670 W N -0.501 120.752 121.300 -0.079 0.000 3.180 670 W HA 0.089 4.750 4.660 0.001 0.000 0.254 670 W C 2.006 178.505 176.519 -0.034 0.000 1.318 670 W CA 0.030 57.344 57.345 -0.052 0.000 1.608 670 W CB -0.118 29.320 29.460 -0.036 0.000 1.124 670 W HN 0.223 nan 8.180 nan 0.000 0.694 671 E N 0.372 120.641 120.200 0.114 0.000 2.481 671 E HA 0.006 4.357 4.350 0.001 0.000 0.195 671 E C 0.826 177.468 176.600 0.070 0.000 1.047 671 E CA 0.228 56.683 56.400 0.092 0.000 0.867 671 E CB -0.028 29.718 29.700 0.077 0.000 0.858 671 E HN 0.237 nan 8.360 nan 0.000 0.513 672 M N 1.621 121.244 119.600 0.038 0.000 2.227 672 M HA 0.071 4.552 4.480 0.001 0.000 0.349 672 M C -1.808 174.524 176.300 0.053 0.000 1.443 672 M CA -1.419 53.901 55.300 0.033 0.000 1.110 672 M CB 0.396 32.978 32.600 -0.029 0.000 1.773 672 M HN -0.214 nan 8.290 nan 0.000 0.463 673 P HA -0.044 nan 4.420 nan 0.000 0.221 673 P C 0.461 177.788 177.300 0.045 0.000 1.145 673 P CA 0.708 63.833 63.100 0.042 0.000 0.795 673 P CB 0.329 32.056 31.700 0.044 0.000 0.775 674 G N -2.165 106.671 108.800 0.059 0.000 2.490 674 G HA2 0.081 4.042 3.960 0.001 0.000 0.308 674 G HA3 0.081 4.042 3.960 0.001 0.000 0.308 674 G C -0.343 174.587 174.900 0.051 0.000 1.286 674 G CA -0.414 44.728 45.100 0.070 0.000 0.825 674 G HN -0.234 nan 8.290 nan 0.000 0.479 675 N N 0.137 118.874 118.700 0.062 0.000 2.373 675 N HA 0.023 4.763 4.740 0.001 0.000 0.181 675 N C 1.036 176.666 175.510 0.200 0.000 1.082 675 N CA 0.396 53.498 53.050 0.086 0.000 0.885 675 N CB 0.457 38.970 38.487 0.043 0.000 0.977 675 N HN 0.507 nan 8.380 nan 0.000 0.462 676 D N 1.024 121.536 120.400 0.187 0.000 2.092 676 D HA -0.138 4.502 4.640 0.001 0.000 0.193 676 D C 1.907 178.320 176.300 0.187 0.000 0.994 676 D CA 1.359 55.482 54.000 0.205 0.000 0.828 676 D CB -0.284 40.625 40.800 0.181 0.000 0.963 676 D HN 0.266 nan 8.370 nan 0.000 0.450 677 G N 0.017 108.922 108.800 0.176 0.000 2.422 677 G HA2 -0.299 3.661 3.960 0.001 0.000 0.218 677 G HA3 -0.299 3.661 3.960 0.001 0.000 0.218 677 G C 1.551 176.576 174.900 0.208 0.000 1.146 677 G CA 0.702 45.897 45.100 0.159 0.000 0.769 677 G HN 0.334 nan 8.290 nan 0.000 0.547 678 Y N 0.910 121.307 120.300 0.163 0.000 2.220 678 Y HA 0.099 4.649 4.550 0.001 0.000 0.291 678 Y C 2.474 178.459 175.900 0.142 0.000 1.129 678 Y CA 1.106 59.339 58.100 0.221 0.000 1.161 678 Y CB -0.132 38.436 38.460 0.181 0.000 0.997 678 Y HN 0.093 nan 8.280 nan 0.000 0.522 679 L N 0.150 121.496 121.223 0.205 0.000 2.093 679 L HA -0.228 4.112 4.340 0.001 0.000 0.208 679 L C 2.523 179.385 176.870 -0.014 0.000 1.085 679 L CA 1.359 56.265 54.840 0.110 0.000 0.755 679 L CB -0.593 41.625 42.059 0.264 0.000 0.904 679 L HN 0.314 nan 8.230 nan 0.000 0.435 680 Q N -0.106 119.649 119.800 -0.075 0.000 2.096 680 Q HA -0.209 4.131 4.340 0.001 0.000 0.204 680 Q C 2.364 178.206 176.000 -0.262 0.000 0.982 680 Q CA 1.353 56.952 55.803 -0.340 0.000 0.850 680 Q CB -0.145 28.385 28.738 -0.347 0.000 0.901 680 Q HN 0.546 nan 8.270 nan 0.000 0.422 681 L N -0.176 120.941 121.223 -0.177 0.000 2.056 681 L HA -0.159 4.181 4.340 0.001 0.000 0.207 681 L C 2.385 179.064 176.870 -0.319 0.000 1.078 681 L CA 0.725 55.452 54.840 -0.189 0.000 0.749 681 L CB -0.498 41.513 42.059 -0.079 0.000 0.901 681 L HN 0.103 nan 8.230 nan 0.000 0.433 682 V N 0.381 120.073 119.914 -0.371 0.000 2.295 682 V HA -0.220 3.900 4.120 0.001 0.000 0.246 682 V C 2.670 178.618 176.094 -0.243 0.000 1.049 682 V CA 2.057 64.143 62.300 -0.356 0.000 1.024 682 V CB -1.254 30.376 31.823 -0.322 0.000 0.648 682 V HN 0.569 nan 8.190 nan 0.000 0.447 683 G N -0.170 108.526 108.800 -0.174 0.000 2.440 683 G HA2 -0.246 3.714 3.960 0.001 0.000 0.218 683 G HA3 -0.246 3.714 3.960 0.001 0.000 0.218 683 G C 1.587 176.377 174.900 -0.184 0.000 1.154 683 G CA 1.177 46.200 45.100 -0.128 0.000 0.767 683 G HN 0.491 nan 8.290 nan 0.000 0.552 684 I N 0.449 120.888 120.570 -0.217 0.000 2.179 684 I HA -0.206 3.964 4.170 0.001 0.000 0.242 684 I C 2.974 178.981 176.117 -0.184 0.000 1.088 684 I CA 1.182 62.374 61.300 -0.179 0.000 1.357 684 I CB -0.194 37.743 38.000 -0.105 0.000 1.051 684 I HN 0.176 nan 8.210 nan 0.000 0.409 685 M N -0.378 119.015 119.600 -0.344 0.000 2.106 685 M HA -0.284 4.196 4.480 0.001 0.000 0.259 685 M C 2.351 178.542 176.300 -0.181 0.000 1.068 685 M CA 1.773 56.769 55.300 -0.505 0.000 1.100 685 M CB -0.478 31.555 32.600 -0.945 0.000 1.351 685 M HN 0.147 nan 8.290 nan 0.000 0.404 686 Q N 0.954 120.656 119.800 -0.164 0.000 2.364 686 Q HA -0.130 4.211 4.340 0.001 0.000 0.207 686 Q C 1.735 177.761 176.000 0.043 0.000 0.970 686 Q CA 1.461 57.237 55.803 -0.044 0.000 0.888 686 Q CB -0.267 28.447 28.738 -0.040 0.000 0.951 686 Q HN 0.407 nan 8.270 nan 0.000 0.469 687 K N -1.130 119.172 120.400 -0.163 0.000 2.103 687 K HA -0.167 4.154 4.320 0.001 0.000 0.207 687 K C 0.826 177.206 176.600 -0.366 0.000 1.048 687 K CA 1.548 57.589 56.287 -0.411 0.000 0.930 687 K CB -0.065 31.879 32.500 -0.927 0.000 0.716 687 K HN 0.272 nan 8.250 nan 0.000 0.444 688 F N 0.497 120.459 119.950 0.020 0.000 2.559 688 F HA 0.212 4.739 4.527 0.001 0.000 0.286 688 F C 0.716 176.585 175.800 0.115 0.000 1.108 688 F CA -0.530 57.511 58.000 0.069 0.000 1.436 688 F CB 0.182 39.240 39.000 0.098 0.000 1.130 688 F HN -0.172 nan 8.300 nan 0.000 0.584 689 I N 1.973 122.690 120.570 0.245 0.000 2.618 689 I HA -0.095 4.075 4.170 0.001 0.000 0.284 689 I C 1.082 177.236 176.117 0.061 0.000 1.146 689 I CA 0.269 61.665 61.300 0.160 0.000 1.425 689 I CB 0.151 38.209 38.000 0.097 0.000 1.383 689 I HN 0.181 nan 8.210 nan 0.000 0.562 690 D N 4.361 124.808 120.400 0.078 0.000 2.117 690 D HA -0.103 4.538 4.640 0.001 0.000 0.198 690 D C 1.373 177.674 176.300 0.002 0.000 0.982 690 D CA 1.404 55.423 54.000 0.032 0.000 0.828 690 D CB 0.522 41.374 40.800 0.087 0.000 0.967 690 D HN 0.619 nan 8.370 nan 0.000 0.464 691 Q N -0.316 119.504 119.800 0.033 0.000 3.080 691 Q HA 0.343 4.683 4.340 0.001 0.000 0.219 691 Q C 0.477 176.486 176.000 0.015 0.000 1.169 691 Q CA -0.384 55.440 55.803 0.034 0.000 0.315 691 Q CB 0.472 29.235 28.738 0.041 0.000 5.814 691 Q HN -0.079 nan 8.270 nan 0.000 0.319 692 S N -1.107 114.596 115.700 0.006 0.000 2.900 692 S HA 0.681 5.152 4.470 0.001 0.000 0.320 692 S C -1.470 173.119 174.600 -0.020 0.000 1.130 692 S CA -0.747 57.453 58.200 -0.000 0.000 0.863 692 S CB 0.861 64.064 63.200 0.005 0.000 1.295 692 S HN 0.349 nan 8.310 nan 0.000 0.596 693 I N 1.330 121.883 120.570 -0.027 0.000 2.619 693 I HA 0.305 4.475 4.170 0.001 0.000 0.292 693 I C -0.384 175.708 176.117 -0.042 0.000 1.100 693 I CA -0.525 60.750 61.300 -0.042 0.000 1.043 693 I CB 2.387 40.349 38.000 -0.064 0.000 1.239 693 I HN 0.417 nan 8.210 nan 0.000 0.420 694 S N 4.814 120.472 115.700 -0.070 0.000 4.085 694 S HA 0.259 4.729 4.470 0.001 0.000 0.189 694 S C 0.517 175.188 174.600 0.119 0.000 1.392 694 S CA -0.475 57.658 58.200 -0.111 0.000 0.972 694 S CB -0.483 62.559 63.200 -0.263 0.000 1.482 694 S HN 0.618 nan 8.310 nan 0.000 0.446 695 A N 2.908 125.826 122.820 0.164 0.000 2.451 695 A HA 0.252 4.573 4.320 0.001 0.000 0.266 695 A C 0.493 178.283 177.584 0.343 0.000 1.119 695 A CA -0.439 51.775 52.037 0.295 0.000 0.786 695 A CB 0.122 19.264 19.000 0.236 0.000 1.061 695 A HN 0.656 nan 8.150 nan 0.000 0.503 696 N N 0.903 119.810 118.700 0.344 0.000 2.515 696 N HA 0.429 5.169 4.740 0.001 0.000 0.279 696 N C -0.025 175.552 175.510 0.111 0.000 1.164 696 N CA -0.016 53.146 53.050 0.186 0.000 0.982 696 N CB 1.303 39.826 38.487 0.060 0.000 1.170 696 N HN 0.761 nan 8.380 nan 0.000 0.474 697 T N -0.938 113.694 114.554 0.129 0.000 2.918 697 T HA 0.458 4.808 4.350 0.001 0.000 0.286 697 T C -0.624 174.061 174.700 -0.025 0.000 1.026 697 T CA -1.004 61.131 62.100 0.058 0.000 1.031 697 T CB 1.415 70.436 68.868 0.255 0.000 1.046 697 T HN 0.371 nan 8.240 nan 0.000 0.479 698 N N 1.120 119.648 118.700 -0.287 0.000 2.310 698 N HA 0.373 5.114 4.740 0.001 0.000 0.292 698 N C -1.897 173.411 175.510 -0.336 0.000 1.049 698 N CA -0.498 52.450 53.050 -0.170 0.000 0.849 698 N CB 2.345 40.629 38.487 -0.338 0.000 1.532 698 N HN 0.681 nan 8.380 nan 0.000 0.479 699 Y N -0.363 120.214 120.300 0.460 0.000 2.386 699 Y HA 0.184 4.734 4.550 0.001 0.000 0.334 699 Y C -0.461 175.624 175.900 0.309 0.000 1.002 699 Y CA -0.978 57.370 58.100 0.414 0.000 1.068 699 Y CB 1.830 40.444 38.460 0.257 0.000 1.203 699 Y HN 0.360 nan 8.280 nan 0.000 0.443 700 D N 5.072 125.704 120.400 0.387 0.000 2.396 700 D HA 0.279 4.919 4.640 0.001 0.000 0.225 700 D C -1.987 174.454 176.300 0.236 0.000 1.121 700 D CA -2.523 51.505 54.000 0.047 0.000 0.853 700 D CB 1.796 42.584 40.800 -0.018 0.000 1.043 700 D HN 0.204 nan 8.370 nan 0.000 0.500 701 P HA -0.160 nan 4.420 nan 0.000 0.217 701 P C 1.185 178.606 177.300 0.201 0.000 1.148 701 P CA 1.127 64.357 63.100 0.216 0.000 0.828 701 P CB 0.106 31.845 31.700 0.064 0.000 0.783 702 S N -1.293 114.446 115.700 0.065 0.000 2.603 702 S HA -0.024 4.447 4.470 0.001 0.000 0.229 702 S C 1.697 176.291 174.600 -0.010 0.000 0.972 702 S CA 0.388 58.601 58.200 0.022 0.000 0.935 702 S CB -0.749 62.435 63.200 -0.026 0.000 0.769 702 S HN 0.129 nan 8.310 nan 0.000 0.536 703 R N -0.480 119.987 120.500 -0.053 0.000 2.300 703 R HA 0.324 4.665 4.340 0.001 0.000 0.199 703 R C -0.777 175.242 176.300 -0.467 0.000 0.920 703 R CA 0.159 56.094 56.100 -0.276 0.000 1.046 703 R CB 0.117 30.174 30.300 -0.406 0.000 0.984 703 R HN 0.429 nan 8.270 nan 0.000 0.493 704 F N 0.647 120.626 119.950 0.048 0.000 2.522 704 F HA 0.377 4.905 4.527 0.001 0.000 0.324 704 F C -1.989 173.828 175.800 0.028 0.000 1.077 704 F CA -3.231 54.797 58.000 0.046 0.000 0.944 704 F CB 1.043 40.074 39.000 0.051 0.000 1.175 704 F HN -0.280 nan 8.300 nan 0.000 0.468 705 P HA 0.075 nan 4.420 nan 0.000 0.264 705 P C 0.010 177.373 177.300 0.105 0.000 1.193 705 P CA 0.554 63.725 63.100 0.118 0.000 0.763 705 P CB 0.624 32.386 31.700 0.104 0.000 0.810 706 S N 1.623 117.365 115.700 0.069 0.000 3.382 706 S HA -0.175 4.295 4.470 0.001 0.000 0.293 706 S C 1.206 175.839 174.600 0.054 0.000 1.262 706 S CA 1.005 59.235 58.200 0.050 0.000 0.969 706 S CB -2.328 60.896 63.200 0.039 0.000 1.136 706 S HN 1.112 nan 8.310 nan 0.000 0.635 707 G N 1.087 109.936 108.800 0.082 0.000 2.283 707 G HA2 -0.351 3.609 3.960 0.001 0.000 0.280 707 G HA3 -0.351 3.609 3.960 0.001 0.000 0.280 707 G C -0.275 174.672 174.900 0.078 0.000 1.029 707 G CA 1.062 46.215 45.100 0.087 0.000 0.840 707 G HN 1.227 nan 8.290 nan 0.000 0.505 708 K N -1.160 119.288 120.400 0.079 0.000 2.397 708 K HA 0.722 5.042 4.320 0.001 0.000 0.253 708 K C -0.314 176.214 176.600 -0.120 0.000 0.932 708 K CA -1.267 55.016 56.287 -0.007 0.000 0.795 708 K CB 2.789 35.275 32.500 -0.024 0.000 1.159 708 K HN 0.055 nan 8.250 nan 0.000 0.424 709 V N 3.836 123.580 119.914 -0.282 0.000 2.508 709 V HA 0.191 4.312 4.120 0.001 0.000 0.281 709 V C -1.805 173.996 176.094 -0.489 0.000 1.041 709 V CA -1.197 60.689 62.300 -0.689 0.000 1.016 709 V CB 0.201 31.644 31.823 -0.634 0.000 0.984 709 V HN 0.815 nan 8.190 nan 0.000 0.478 710 P HA 0.244 nan 4.420 nan 0.000 0.286 710 P C 0.567 177.742 177.300 -0.208 0.000 1.269 710 P CA -0.676 62.279 63.100 -0.243 0.000 0.787 710 P CB 1.081 32.702 31.700 -0.131 0.000 0.920 711 M N 2.964 122.486 119.600 -0.130 0.000 2.146 711 M HA -0.270 4.210 4.480 0.001 0.000 0.256 711 M C 1.976 178.247 176.300 -0.048 0.000 1.075 711 M CA 2.038 57.288 55.300 -0.083 0.000 1.082 711 M CB -1.148 31.430 32.600 -0.036 0.000 1.355 711 M HN 0.412 nan 8.290 nan 0.000 0.402 712 Q N -0.437 119.344 119.800 -0.030 0.000 2.112 712 Q HA -0.261 4.080 4.340 0.001 0.000 0.206 712 Q C 2.107 178.125 176.000 0.029 0.000 0.987 712 Q CA 2.383 58.190 55.803 0.007 0.000 0.858 712 Q CB -0.386 28.364 28.738 0.021 0.000 0.905 712 Q HN 0.667 nan 8.270 nan 0.000 0.420 713 Q N -0.530 119.279 119.800 0.015 0.000 2.123 713 Q HA -0.017 4.323 4.340 0.001 0.000 0.199 713 Q C 1.864 177.922 176.000 0.097 0.000 0.966 713 Q CA 1.280 57.139 55.803 0.093 0.000 0.845 713 Q CB -0.175 28.646 28.738 0.138 0.000 0.907 713 Q HN 0.530 nan 8.270 nan 0.000 0.439 714 L N -0.477 120.718 121.223 -0.048 0.000 2.042 714 L HA -0.197 4.144 4.340 0.001 0.000 0.210 714 L C 2.246 179.180 176.870 0.107 0.000 1.076 714 L CA 1.114 55.941 54.840 -0.022 0.000 0.749 714 L CB -0.531 41.455 42.059 -0.122 0.000 0.893 714 L HN 0.266 nan 8.230 nan 0.000 0.432 715 L N -0.325 120.948 121.223 0.082 0.000 2.109 715 L HA -0.179 4.161 4.340 0.001 0.000 0.207 715 L C 2.661 179.587 176.870 0.093 0.000 1.086 715 L CA 0.938 55.837 54.840 0.097 0.000 0.760 715 L CB -0.401 41.686 42.059 0.046 0.000 0.910 715 L HN 0.197 nan 8.230 nan 0.000 0.437 716 K N 0.590 121.045 120.400 0.092 0.000 2.009 716 K HA -0.221 4.099 4.320 0.001 0.000 0.210 716 K C 1.682 178.361 176.600 0.132 0.000 1.049 716 K CA 1.926 58.271 56.287 0.096 0.000 0.929 716 K CB -0.114 32.452 32.500 0.111 0.000 0.714 716 K HN 0.136 nan 8.250 nan 0.000 0.440 717 D N 0.259 120.778 120.400 0.198 0.000 2.144 717 D HA -0.154 4.486 4.640 0.001 0.000 0.199 717 D C 1.825 178.257 176.300 0.220 0.000 0.984 717 D CA 0.936 55.079 54.000 0.238 0.000 0.834 717 D CB -0.220 40.783 40.800 0.338 0.000 0.955 717 D HN 0.194 nan 8.370 nan 0.000 0.465 718 L N 0.323 121.678 121.223 0.220 0.000 2.046 718 L HA -0.112 4.229 4.340 0.001 0.000 0.208 718 L C 2.058 179.017 176.870 0.148 0.000 1.077 718 L CA 1.395 56.380 54.840 0.241 0.000 0.747 718 L CB -0.283 41.959 42.059 0.305 0.000 0.896 718 L HN 0.016 nan 8.230 nan 0.000 0.432 719 L N -1.736 119.523 121.223 0.061 0.000 2.131 719 L HA -0.115 4.226 4.340 0.001 0.000 0.206 719 L C 2.308 179.152 176.870 -0.043 0.000 1.087 719 L CA 1.212 56.009 54.840 -0.071 0.000 0.767 719 L CB -0.952 41.056 42.059 -0.085 0.000 0.917 719 L HN 0.210 nan 8.230 nan 0.000 0.441 720 T N 0.293 114.854 114.554 0.012 0.000 2.684 720 T HA -0.237 4.113 4.350 0.001 0.000 0.267 720 T C 2.071 176.811 174.700 0.066 0.000 1.036 720 T CA 1.524 63.622 62.100 -0.003 0.000 1.148 720 T CB -0.298 68.654 68.868 0.139 0.000 0.863 720 T HN 0.446 nan 8.240 nan 0.000 0.436 721 A N 0.587 123.505 122.820 0.164 0.000 1.873 721 A HA -0.173 4.148 4.320 0.001 0.000 0.218 721 A C 2.110 179.787 177.584 0.156 0.000 1.193 721 A CA 1.989 54.146 52.037 0.200 0.000 0.629 721 A CB -1.226 17.912 19.000 0.230 0.000 0.826 721 A HN 0.612 nan 8.150 nan 0.000 0.447 722 Y N 0.428 120.718 120.300 -0.016 0.000 2.128 722 Y HA -0.236 4.314 4.550 0.001 0.000 0.284 722 Y C 2.454 178.378 175.900 0.040 0.000 1.154 722 Y CA 2.478 60.553 58.100 -0.043 0.000 1.149 722 Y CB -0.200 37.963 38.460 -0.495 0.000 0.976 722 Y HN 0.322 nan 8.280 nan 0.000 0.505 723 K N -0.690 119.693 120.400 -0.029 0.000 2.103 723 K HA -0.182 4.138 4.320 0.001 0.000 0.207 723 K C 1.124 177.550 176.600 -0.290 0.000 1.048 723 K CA 1.592 57.751 56.287 -0.212 0.000 0.930 723 K CB -0.383 31.861 32.500 -0.426 0.000 0.716 723 K HN 0.311 nan 8.250 nan 0.000 0.444 724 F N 0.169 120.083 119.950 -0.060 0.000 2.731 724 F HA 0.241 4.769 4.527 0.001 0.000 0.304 724 F C 1.359 177.039 175.800 -0.200 0.000 1.133 724 F CA 0.431 58.370 58.000 -0.101 0.000 1.380 724 F CB 0.341 39.312 39.000 -0.050 0.000 1.079 724 F HN 0.291 nan 8.300 nan 0.000 0.550 725 G N 0.232 108.912 108.800 -0.199 0.000 2.136 725 G HA2 -0.259 3.701 3.960 0.001 0.000 0.242 725 G HA3 -0.259 3.701 3.960 0.001 0.000 0.242 725 G C 0.142 174.908 174.900 -0.223 0.000 0.989 725 G CA 0.081 44.842 45.100 -0.566 0.000 0.682 725 G HN 0.128 nan 8.290 nan 0.000 0.522 726 V N 0.725 120.650 119.914 0.018 0.000 2.540 726 V HA 0.100 4.220 4.120 0.001 0.000 0.297 726 V C 1.775 177.986 176.094 0.196 0.000 1.024 726 V CA 1.234 63.594 62.300 0.100 0.000 1.105 726 V CB 1.206 33.112 31.823 0.138 0.000 0.938 726 V HN 0.449 nan 8.190 nan 0.000 0.482 727 K N 2.263 122.753 120.400 0.150 0.000 2.116 727 K HA 0.030 4.350 4.320 0.001 0.000 0.203 727 K C 0.740 177.445 176.600 0.174 0.000 1.052 727 K CA 1.235 57.627 56.287 0.176 0.000 0.952 727 K CB 0.172 32.743 32.500 0.119 0.000 0.729 727 K HN 0.909 nan 8.250 nan 0.000 0.446 728 T N -2.074 112.575 114.554 0.159 0.000 2.868 728 T HA 0.571 4.921 4.350 0.001 0.000 0.306 728 T C -0.953 173.866 174.700 0.197 0.000 1.224 728 T CA -1.002 61.205 62.100 0.177 0.000 1.012 728 T CB 1.619 70.563 68.868 0.126 0.000 1.221 728 T HN -0.106 nan 8.240 nan 0.000 0.499 729 L N 2.217 123.584 121.223 0.241 0.000 2.381 729 L HA 0.553 4.893 4.340 0.001 0.000 0.274 729 L C -0.699 176.347 176.870 0.294 0.000 0.988 729 L CA -1.012 53.991 54.840 0.272 0.000 0.824 729 L CB 1.773 44.015 42.059 0.305 0.000 1.263 729 L HN 0.720 nan 8.230 nan 0.000 0.410 730 Y N 2.812 123.132 120.300 0.035 0.000 2.979 730 Y HA 0.328 4.879 4.550 0.001 0.000 0.458 730 Y C 0.112 176.131 175.900 0.199 0.000 1.310 730 Y CA -0.706 57.263 58.100 -0.219 0.000 1.777 730 Y CB 0.223 38.466 38.460 -0.363 0.000 1.606 730 Y HN 0.259 nan 8.280 nan 0.000 0.769 731 Y N 2.222 122.305 120.300 -0.362 0.000 2.904 731 Y HA -0.002 4.548 4.550 0.001 0.000 0.336 731 Y C 0.632 176.579 175.900 0.078 0.000 1.263 731 Y CA 0.230 58.248 58.100 -0.136 0.000 1.547 731 Y CB -0.371 37.935 38.460 -0.257 0.000 1.272 731 Y HN 0.291 nan 8.280 nan 0.000 0.596 732 Q N 4.057 124.034 119.800 0.295 0.000 2.314 732 Q HA 0.261 4.601 4.340 0.001 0.000 0.259 732 Q C -1.154 174.967 176.000 0.200 0.000 0.951 732 Q CA -0.792 55.164 55.803 0.255 0.000 0.909 732 Q CB 0.508 29.404 28.738 0.263 0.000 1.236 732 Q HN 0.620 nan 8.270 nan 0.000 0.444 733 N N 2.956 121.783 118.700 0.212 0.000 2.419 733 N HA 0.288 5.028 4.740 0.001 0.000 0.277 733 N C -1.226 174.525 175.510 0.401 0.000 1.006 733 N CA -0.192 53.000 53.050 0.237 0.000 0.923 733 N CB 1.912 40.509 38.487 0.182 0.000 1.140 733 N HN 0.445 nan 8.380 nan 0.000 0.488 734 T N 1.335 116.068 114.554 0.299 0.000 2.770 734 T HA 0.254 4.605 4.350 0.001 0.000 0.283 734 T C 0.574 175.305 174.700 0.053 0.000 0.988 734 T CA -0.645 61.589 62.100 0.223 0.000 0.957 734 T CB 1.517 70.458 68.868 0.121 0.000 0.930 734 T HN 0.284 nan 8.240 nan 0.000 0.443 735 R N 3.125 123.431 120.500 -0.324 0.000 2.522 735 R HA 0.048 4.389 4.340 0.001 0.000 0.284 735 R C -0.150 175.961 176.300 -0.314 0.000 1.032 735 R CA -0.305 55.371 56.100 -0.706 0.000 1.049 735 R CB 0.259 29.649 30.300 -1.517 0.000 0.956 735 R HN 0.658 nan 8.270 nan 0.000 0.422 736 D N 3.819 124.097 120.400 -0.204 0.000 2.317 736 D HA 0.418 5.059 4.640 0.001 0.000 0.252 736 D C 0.457 176.677 176.300 -0.134 0.000 1.174 736 D CA 0.254 54.182 54.000 -0.119 0.000 0.866 736 D CB 1.293 42.057 40.800 -0.060 0.000 1.127 736 D HN 0.776 nan 8.370 nan 0.000 0.467 737 G N 0.000 108.738 108.800 -0.103 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 45.045 45.100 -0.092 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925