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 2xo4_1_C 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 LGSPIRGGEA 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 FGVKTLXYQN TRDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.510 175.510 0.000 0.000 1.280 4 N CA 0.000 53.053 53.050 0.006 0.000 0.885 4 N CB 0.000 38.489 38.487 0.003 0.000 1.341 5 L N 1.884 123.108 121.223 0.001 0.000 1.935 5 L HA -0.143 4.197 4.340 0.001 0.000 0.474 5 L C -1.454 175.389 176.870 -0.045 0.000 1.002 5 L CA 0.129 54.960 54.840 -0.014 0.000 1.232 5 L CB -0.154 41.899 42.059 -0.010 0.000 1.316 5 L HN 0.189 nan 8.230 nan 0.000 0.686 6 L N 4.557 125.747 121.223 -0.055 0.000 2.330 6 L HA 0.856 5.197 4.340 0.001 0.000 0.271 6 L C -0.396 176.402 176.870 -0.121 0.000 1.013 6 L CA -1.019 53.779 54.840 -0.069 0.000 0.816 6 L CB 2.051 44.088 42.059 -0.037 0.000 1.287 6 L HN 0.252 nan 8.230 nan 0.000 0.435 7 V N 0.254 120.094 119.914 -0.124 0.000 2.656 7 V HA 0.332 4.453 4.120 0.001 0.000 0.307 7 V C -0.178 175.848 176.094 -0.112 0.000 1.051 7 V CA -0.574 61.626 62.300 -0.165 0.000 0.893 7 V CB 2.095 33.803 31.823 -0.192 0.000 0.999 7 V HN 0.723 nan 8.190 nan 0.000 0.426 8 T N 5.344 119.831 114.554 -0.112 0.000 2.747 8 T HA 0.253 4.604 4.350 0.001 0.000 0.301 8 T C 0.261 174.920 174.700 -0.068 0.000 0.952 8 T CA -0.393 61.666 62.100 -0.068 0.000 0.983 8 T CB 0.111 68.952 68.868 -0.044 0.000 0.930 8 T HN 0.412 nan 8.240 nan 0.000 0.494 9 K N 2.645 123.016 120.400 -0.049 0.000 2.230 9 K HA 0.185 4.506 4.320 0.001 0.000 0.253 9 K C 1.617 178.205 176.600 -0.021 0.000 1.008 9 K CA -0.488 55.777 56.287 -0.036 0.000 0.910 9 K CB 0.497 32.984 32.500 -0.023 0.000 0.994 9 K HN 0.427 nan 8.250 nan 0.000 0.495 10 R N 1.669 122.164 120.500 -0.009 0.000 2.159 10 R HA -0.252 4.089 4.340 0.001 0.000 0.249 10 R C 1.582 177.882 176.300 0.000 0.000 1.136 10 R CA 2.641 58.742 56.100 0.001 0.000 0.951 10 R CB -0.976 29.330 30.300 0.009 0.000 0.876 10 R HN 0.777 nan 8.270 nan 0.000 0.440 11 D N -2.404 117.995 120.400 -0.001 0.000 2.084 11 D HA -0.017 4.624 4.640 0.001 0.000 0.199 11 D C 1.510 177.810 176.300 -0.001 0.000 0.981 11 D CA 1.561 55.561 54.000 0.000 0.000 0.841 11 D CB -0.390 40.410 40.800 -0.000 0.000 0.997 11 D HN 0.386 nan 8.370 nan 0.000 0.454 12 G N -1.059 107.739 108.800 -0.004 0.000 4.258 12 G HA2 0.012 3.973 3.960 0.001 0.000 0.208 12 G HA3 0.012 3.973 3.960 0.001 0.000 0.208 12 G C 0.124 175.020 174.900 -0.007 0.000 0.777 12 G CA 0.189 45.287 45.100 -0.004 0.000 0.836 12 G HN 0.548 nan 8.290 nan 0.000 0.499 13 S N 0.922 116.617 115.700 -0.008 0.000 2.584 13 S HA 0.542 5.013 4.470 0.001 0.000 0.270 13 S C 0.238 174.828 174.600 -0.018 0.000 1.346 13 S CA 0.698 58.892 58.200 -0.010 0.000 1.018 13 S CB 1.400 64.595 63.200 -0.009 0.000 0.899 13 S HN 1.165 nan 8.310 nan 0.000 0.542 14 T N -0.717 113.827 114.554 -0.018 0.000 2.824 14 T HA 0.648 4.999 4.350 0.001 0.000 0.282 14 T C -0.920 173.765 174.700 -0.026 0.000 0.993 14 T CA -0.768 61.316 62.100 -0.026 0.000 0.967 14 T CB 1.590 70.445 68.868 -0.023 0.000 0.960 14 T HN 0.661 nan 8.240 nan 0.000 0.441 15 E N 1.675 121.853 120.200 -0.036 0.000 2.392 15 E HA 0.442 4.793 4.350 0.001 0.000 0.269 15 E C -0.476 176.098 176.600 -0.043 0.000 0.924 15 E CA -1.062 55.318 56.400 -0.032 0.000 0.784 15 E CB 2.527 32.211 29.700 -0.027 0.000 1.292 15 E HN 0.671 nan 8.360 nan 0.000 0.447 16 R N 1.040 121.519 120.500 -0.035 0.000 2.679 16 R HA 0.152 4.493 4.340 0.001 0.000 0.268 16 R C 0.706 176.974 176.300 -0.054 0.000 1.044 16 R CA -0.157 55.920 56.100 -0.039 0.000 1.105 16 R CB 0.380 30.666 30.300 -0.023 0.000 0.989 16 R HN 0.423 nan 8.270 nan 0.000 0.447 17 I N 2.637 123.164 120.570 -0.070 0.000 2.775 17 I HA -0.132 4.039 4.170 0.001 0.000 0.290 17 I C -0.190 175.893 176.117 -0.056 0.000 1.203 17 I CA 0.600 61.843 61.300 -0.096 0.000 1.433 17 I CB 0.398 38.325 38.000 -0.122 0.000 1.354 17 I HN 0.605 nan 8.210 nan 0.000 0.579 18 N N 7.673 126.340 118.700 -0.054 0.000 2.707 18 N HA 0.223 4.964 4.740 0.001 0.000 0.235 18 N C 0.615 176.131 175.510 0.011 0.000 1.028 18 N CA -0.353 52.690 53.050 -0.013 0.000 0.906 18 N CB 0.652 39.139 38.487 -0.001 0.000 1.131 18 N HN 0.582 nan 8.380 nan 0.000 0.509 19 L N 1.004 122.245 121.223 0.030 0.000 2.141 19 L HA -0.061 4.280 4.340 0.001 0.000 0.209 19 L C 1.208 178.155 176.870 0.127 0.000 1.094 19 L CA 0.746 55.639 54.840 0.089 0.000 0.763 19 L CB -0.007 42.113 42.059 0.102 0.000 0.908 19 L HN 0.368 nan 8.230 nan 0.000 0.437 20 D N 0.062 120.511 120.400 0.082 0.000 2.117 20 D HA -0.166 4.475 4.640 0.001 0.000 0.197 20 D C 2.207 178.575 176.300 0.114 0.000 0.987 20 D CA 0.919 54.973 54.000 0.090 0.000 0.829 20 D CB 0.005 40.833 40.800 0.048 0.000 0.961 20 D HN 0.039 nan 8.370 nan 0.000 0.460 21 K N 0.744 121.190 120.400 0.078 0.000 2.026 21 K HA -0.065 4.256 4.320 0.001 0.000 0.208 21 K C 2.319 178.958 176.600 0.064 0.000 1.048 21 K CA 0.484 56.806 56.287 0.059 0.000 0.929 21 K CB -0.500 32.029 32.500 0.048 0.000 0.713 21 K HN 0.216 nan 8.250 nan 0.000 0.439 22 I N -0.217 120.415 120.570 0.103 0.000 2.163 22 I HA -0.314 3.857 4.170 0.001 0.000 0.243 22 I C 2.487 178.685 176.117 0.136 0.000 1.085 22 I CA 1.573 62.954 61.300 0.134 0.000 1.347 22 I CB -0.400 37.733 38.000 0.221 0.000 1.044 22 I HN 0.289 nan 8.210 nan 0.000 0.408 23 H N 0.900 120.026 119.070 0.092 0.000 2.352 23 H HA -0.165 4.391 4.556 0.001 0.000 0.299 23 H C 2.338 177.688 175.328 0.036 0.000 1.097 23 H CA 1.798 57.886 56.048 0.067 0.000 1.311 23 H CB 0.069 29.870 29.762 0.065 0.000 1.377 23 H HN 0.028 nan 8.280 nan 0.000 0.504 24 R N -0.596 119.943 120.500 0.066 0.000 2.075 24 R HA -0.068 4.273 4.340 0.001 0.000 0.232 24 R C 2.461 178.730 176.300 -0.051 0.000 1.126 24 R CA 1.218 57.323 56.100 0.008 0.000 0.963 24 R CB -0.297 30.020 30.300 0.029 0.000 0.858 24 R HN 0.209 nan 8.270 nan 0.000 0.435 25 V N 0.712 120.558 119.914 -0.113 0.000 2.358 25 V HA -0.222 3.899 4.120 0.001 0.000 0.246 25 V C 2.174 178.266 176.094 -0.003 0.000 1.047 25 V CA 1.632 63.812 62.300 -0.200 0.000 1.035 25 V CB -0.420 31.101 31.823 -0.504 0.000 0.658 25 V HN 0.277 nan 8.190 nan 0.000 0.452 26 L N 0.075 121.261 121.223 -0.062 0.000 2.017 26 L HA -0.228 4.112 4.340 0.001 0.000 0.208 26 L C 2.417 179.220 176.870 -0.112 0.000 1.073 26 L CA 2.141 56.938 54.840 -0.072 0.000 0.745 26 L CB -0.643 41.358 42.059 -0.098 0.000 0.894 26 L HN 0.408 nan 8.230 nan 0.000 0.432 27 D N -0.790 119.502 120.400 -0.181 0.000 2.104 27 D HA -0.283 4.358 4.640 0.001 0.000 0.194 27 D C 1.903 178.177 176.300 -0.042 0.000 0.994 27 D CA 1.316 55.228 54.000 -0.146 0.000 0.830 27 D CB -0.181 40.526 40.800 -0.155 0.000 0.959 27 D HN 0.348 nan 8.370 nan 0.000 0.452 28 W N 1.454 122.657 121.300 -0.162 0.000 2.332 28 W HA -0.215 4.446 4.660 0.001 0.000 0.321 28 W C 2.305 178.760 176.519 -0.107 0.000 1.219 28 W CA 2.804 60.068 57.345 -0.136 0.000 1.277 28 W CB -0.855 28.494 29.460 -0.184 0.000 1.161 28 W HN 0.026 nan 8.180 nan 0.000 0.476 29 A N 0.721 123.348 122.820 -0.321 0.000 1.948 29 A HA -0.085 4.236 4.320 0.001 0.000 0.220 29 A C 2.047 179.400 177.584 -0.384 0.000 1.177 29 A CA 2.560 54.266 52.037 -0.551 0.000 0.636 29 A CB -1.514 17.386 19.000 -0.168 0.000 0.815 29 A HN 0.602 nan 8.150 nan 0.000 0.449 30 A N -0.857 121.810 122.820 -0.255 0.000 2.251 30 A HA 0.278 4.599 4.320 0.001 0.000 0.209 30 A C 0.813 178.258 177.584 -0.231 0.000 1.187 30 A CA 0.452 52.360 52.037 -0.215 0.000 0.823 30 A CB -0.221 18.678 19.000 -0.168 0.000 0.846 30 A HN 0.455 nan 8.150 nan 0.000 0.486 31 E N -0.259 119.788 120.200 -0.255 0.000 2.465 31 E HA 0.349 4.700 4.350 0.001 0.000 0.260 31 E C 1.293 177.754 176.600 -0.231 0.000 0.980 31 E CA 1.187 57.458 56.400 -0.215 0.000 0.927 31 E CB -0.060 29.526 29.700 -0.191 0.000 0.934 31 E HN 0.733 nan 8.360 nan 0.000 0.459 32 G N 3.484 112.148 108.800 -0.227 0.000 2.205 32 G HA2 -0.271 3.690 3.960 0.001 0.000 0.261 32 G HA3 -0.271 3.690 3.960 0.001 0.000 0.261 32 G C 0.157 174.816 174.900 -0.401 0.000 0.980 32 G CA 0.366 45.311 45.100 -0.258 0.000 0.632 32 G HN 0.439 nan 8.290 nan 0.000 0.533 33 L N -0.192 120.793 121.223 -0.397 0.000 2.416 33 L HA 0.734 5.074 4.340 0.001 0.000 0.262 33 L C 0.534 177.065 176.870 -0.565 0.000 1.093 33 L CA -1.000 53.609 54.840 -0.385 0.000 0.801 33 L CB 1.068 42.985 42.059 -0.236 0.000 1.191 33 L HN 0.233 nan 8.230 nan 0.000 0.459 34 H N 0.083 119.101 119.070 -0.088 0.000 2.637 34 H HA 0.249 4.806 4.556 0.001 0.000 0.363 34 H C -0.156 175.103 175.328 -0.115 0.000 1.131 34 H CA -0.644 55.356 56.048 -0.081 0.000 1.183 34 H CB 1.282 31.021 29.762 -0.040 0.000 1.637 34 H HN 0.609 nan 8.280 nan 0.000 0.531 35 N N 0.286 119.007 118.700 0.034 0.000 2.747 35 N HA -0.176 4.565 4.740 0.001 0.000 0.249 35 N C -1.151 174.261 175.510 -0.163 0.000 1.107 35 N CA 0.947 53.980 53.050 -0.028 0.000 0.707 35 N CB -0.896 37.595 38.487 0.007 0.000 1.054 35 N HN 0.386 nan 8.380 nan 0.000 0.555 36 V N -2.978 116.778 119.914 -0.262 0.000 2.581 36 V HA 0.831 4.951 4.120 0.001 0.000 0.303 36 V C 0.365 176.375 176.094 -0.139 0.000 1.041 36 V CA -0.413 61.598 62.300 -0.482 0.000 0.907 36 V CB 2.063 33.418 31.823 -0.780 0.000 0.994 36 V HN 0.182 nan 8.190 nan 0.000 0.442 37 S N 3.575 119.309 115.700 0.057 0.000 2.520 37 S HA 0.512 4.983 4.470 0.001 0.000 0.324 37 S C 0.791 175.442 174.600 0.086 0.000 1.069 37 S CA -0.693 57.557 58.200 0.083 0.000 1.121 37 S CB 0.402 63.667 63.200 0.108 0.000 0.971 37 S HN 0.728 nan 8.310 nan 0.000 0.463 38 I N 3.881 124.464 120.570 0.022 0.000 2.163 38 I HA -0.223 3.948 4.170 0.001 0.000 0.243 38 I C 2.628 178.751 176.117 0.009 0.000 1.085 38 I CA 1.795 63.096 61.300 0.001 0.000 1.347 38 I CB -0.329 37.639 38.000 -0.054 0.000 1.044 38 I HN 0.772 nan 8.210 nan 0.000 0.408 39 S N -0.106 115.607 115.700 0.022 0.000 2.382 39 S HA -0.218 4.252 4.470 0.001 0.000 0.228 39 S C 1.955 176.530 174.600 -0.042 0.000 1.027 39 S CA 0.750 58.947 58.200 -0.005 0.000 0.991 39 S CB -0.411 62.794 63.200 0.009 0.000 0.823 39 S HN 0.397 nan 8.310 nan 0.000 0.469 40 Q N 1.099 120.891 119.800 -0.012 0.000 2.096 40 Q HA -0.025 4.316 4.340 0.001 0.000 0.204 40 Q C 2.531 178.490 176.000 -0.068 0.000 0.982 40 Q CA 1.453 57.237 55.803 -0.031 0.000 0.850 40 Q CB -0.914 27.828 28.738 0.005 0.000 0.901 40 Q HN 0.561 nan 8.270 nan 0.000 0.422 41 V N 1.126 121.016 119.914 -0.041 0.000 2.343 41 V HA -0.240 3.881 4.120 0.001 0.000 0.247 41 V C 2.153 178.171 176.094 -0.125 0.000 1.051 41 V CA 1.820 64.084 62.300 -0.059 0.000 1.036 41 V CB -0.490 31.338 31.823 0.008 0.000 0.654 41 V HN 0.385 nan 8.190 nan 0.000 0.451 42 E N 0.081 120.169 120.200 -0.188 0.000 2.058 42 E HA -0.217 4.134 4.350 0.001 0.000 0.194 42 E C 2.250 178.526 176.600 -0.540 0.000 0.997 42 E CA 1.463 57.565 56.400 -0.497 0.000 0.801 42 E CB -0.255 29.176 29.700 -0.448 0.000 0.746 42 E HN 0.491 nan 8.360 nan 0.000 0.450 43 L N 0.431 121.483 121.223 -0.285 0.000 1.989 43 L HA -0.221 4.120 4.340 0.001 0.000 0.211 43 L C 2.593 179.362 176.870 -0.168 0.000 1.071 43 L CA 1.429 56.154 54.840 -0.192 0.000 0.749 43 L CB -0.360 41.629 42.059 -0.115 0.000 0.890 43 L HN 0.037 nan 8.230 nan 0.000 0.431 44 R N -0.353 120.056 120.500 -0.151 0.000 2.148 44 R HA -0.108 4.232 4.340 0.001 0.000 0.227 44 R C 2.456 178.667 176.300 -0.148 0.000 1.103 44 R CA 1.523 57.546 56.100 -0.129 0.000 0.983 44 R CB -0.219 30.011 30.300 -0.117 0.000 0.874 44 R HN 0.505 nan 8.270 nan 0.000 0.451 45 S N -1.141 114.448 115.700 -0.185 0.000 2.475 45 S HA 0.010 4.481 4.470 0.001 0.000 0.224 45 S C 1.611 175.799 174.600 -0.687 0.000 1.042 45 S CA 0.122 58.173 58.200 -0.249 0.000 0.935 45 S CB -0.252 62.914 63.200 -0.057 0.000 0.801 45 S HN 0.409 nan 8.310 nan 0.000 0.509 46 H N 0.319 118.918 119.070 -0.786 0.000 2.428 46 H HA 0.166 4.722 4.556 0.001 0.000 0.296 46 H C 1.868 176.842 175.328 -0.591 0.000 1.062 46 H CA 1.026 56.473 56.048 -1.002 0.000 1.350 46 H CB -0.022 29.524 29.762 -0.360 0.000 1.403 46 H HN 0.313 nan 8.280 nan 0.000 0.533 47 I N 1.495 121.936 120.570 -0.215 0.000 2.700 47 I HA -0.218 3.952 4.170 0.001 0.000 0.261 47 I C 1.625 177.698 176.117 -0.074 0.000 1.219 47 I CA 1.333 62.571 61.300 -0.102 0.000 1.463 47 I CB -0.078 37.880 38.000 -0.069 0.000 1.092 47 I HN 0.223 nan 8.210 nan 0.000 0.452 48 Q N -0.794 118.919 119.800 -0.146 0.000 2.392 48 Q HA 0.084 4.425 4.340 0.001 0.000 0.203 48 Q C -0.054 176.076 176.000 0.216 0.000 0.917 48 Q CA -0.128 55.688 55.803 0.021 0.000 0.939 48 Q CB 0.157 28.908 28.738 0.022 0.000 1.063 48 Q HN 0.238 nan 8.270 nan 0.000 0.516 49 F N 1.204 121.185 119.950 0.052 0.000 2.450 49 F HA 0.208 4.736 4.527 0.001 0.000 0.339 49 F C 0.156 175.985 175.800 0.048 0.000 1.146 49 F CA -1.387 56.582 58.000 -0.052 0.000 1.267 49 F CB -0.011 38.907 39.000 -0.137 0.000 1.178 49 F HN -0.029 nan 8.300 nan 0.000 0.585 50 Y N -2.098 118.308 120.300 0.176 0.000 2.544 50 Y HA 0.436 4.987 4.550 0.002 0.000 0.342 50 Y C -1.005 174.915 175.900 0.032 0.000 1.062 50 Y CA -2.136 56.014 58.100 0.082 0.000 1.023 50 Y CB 0.451 38.946 38.460 0.058 0.000 1.308 50 Y HN 0.533 nan 8.280 nan 0.000 0.457 51 D N 1.638 122.138 120.400 0.166 0.000 2.502 51 D HA 0.365 5.006 4.640 0.001 0.000 0.249 51 D C 1.149 177.512 176.300 0.104 0.000 1.188 51 D CA 2.882 56.927 54.000 0.076 0.000 0.890 51 D CB 0.127 40.974 40.800 0.079 0.000 1.140 51 D HN 1.131 nan 8.370 nan 0.000 0.505 52 G N 3.451 112.238 108.800 -0.020 0.000 2.176 52 G HA2 -0.278 3.683 3.960 0.001 0.000 0.232 52 G HA3 -0.278 3.683 3.960 0.001 0.000 0.232 52 G C 0.553 175.398 174.900 -0.091 0.000 0.986 52 G CA -0.154 44.943 45.100 -0.005 0.000 0.643 52 G HN 0.668 nan 8.290 nan 0.000 0.522 53 I N 2.066 122.395 120.570 -0.402 0.000 2.752 53 I HA 0.274 4.445 4.170 0.001 0.000 0.289 53 I C 1.279 177.201 176.117 -0.326 0.000 1.197 53 I CA -0.051 60.864 61.300 -0.641 0.000 1.432 53 I CB 0.354 37.715 38.000 -1.065 0.000 1.359 53 I HN 0.362 nan 8.210 nan 0.000 0.571 54 K N 5.066 125.349 120.400 -0.194 0.000 2.219 54 K HA 0.113 4.434 4.320 0.001 0.000 0.258 54 K C 0.492 176.967 176.600 -0.208 0.000 1.008 54 K CA -0.440 55.764 56.287 -0.139 0.000 0.928 54 K CB 1.145 33.615 32.500 -0.050 0.000 0.983 54 K HN 0.642 nan 8.250 nan 0.000 0.484 55 T N 0.867 115.310 114.554 -0.184 0.000 2.777 55 T HA -0.149 4.202 4.350 0.001 0.000 0.266 55 T C 1.900 176.372 174.700 -0.381 0.000 1.040 55 T CA 2.078 64.012 62.100 -0.277 0.000 1.141 55 T CB -0.323 68.446 68.868 -0.164 0.000 0.868 55 T HN 0.821 nan 8.240 nan 0.000 0.444 56 S N 1.356 116.978 115.700 -0.129 0.000 2.402 56 S HA -0.122 4.349 4.470 0.001 0.000 0.229 56 S C 1.622 176.191 174.600 -0.052 0.000 1.021 56 S CA 1.061 59.294 58.200 0.055 0.000 0.974 56 S CB -0.372 62.948 63.200 0.199 0.000 0.800 56 S HN 0.349 nan 8.310 nan 0.000 0.484 57 D N 1.605 121.950 120.400 -0.092 0.000 2.224 57 D HA 0.146 4.787 4.640 0.001 0.000 0.205 57 D C 1.799 178.044 176.300 -0.091 0.000 0.965 57 D CA 0.546 54.510 54.000 -0.060 0.000 0.852 57 D CB -0.309 40.475 40.800 -0.027 0.000 0.947 57 D HN 0.432 nan 8.370 nan 0.000 0.494 58 I N 0.320 120.733 120.570 -0.262 0.000 2.226 58 I HA -0.284 3.887 4.170 0.001 0.000 0.245 58 I C 2.029 178.133 176.117 -0.022 0.000 1.100 58 I CA 1.210 62.335 61.300 -0.291 0.000 1.374 58 I CB -0.286 37.350 38.000 -0.606 0.000 1.057 58 I HN 0.153 nan 8.210 nan 0.000 0.413 59 H N 0.591 119.648 119.070 -0.023 0.000 2.321 59 H HA -0.142 4.415 4.556 0.001 0.000 0.300 59 H C 2.177 177.447 175.328 -0.097 0.000 1.087 59 H CA 1.261 57.285 56.048 -0.039 0.000 1.319 59 H CB 0.037 29.753 29.762 -0.076 0.000 1.379 59 H HN 0.357 nan 8.280 nan 0.000 0.501 60 E N 0.507 120.689 120.200 -0.031 0.000 2.110 60 E HA -0.127 4.223 4.350 0.001 0.000 0.193 60 E C 2.094 178.730 176.600 0.059 0.000 0.988 60 E CA 1.423 57.813 56.400 -0.017 0.000 0.804 60 E CB -0.465 29.232 29.700 -0.006 0.000 0.745 60 E HN 0.471 nan 8.360 nan 0.000 0.458 61 T N 2.733 117.351 114.554 0.107 0.000 2.708 61 T HA -0.118 4.233 4.350 0.001 0.000 0.266 61 T C 2.280 177.054 174.700 0.123 0.000 1.037 61 T CA 1.590 63.775 62.100 0.142 0.000 1.146 61 T CB -0.400 68.631 68.868 0.272 0.000 0.865 61 T HN 0.390 nan 8.240 nan 0.000 0.435 62 I N -0.457 120.218 120.570 0.176 0.000 2.315 62 I HA -0.036 4.135 4.170 0.001 0.000 0.248 62 I C 2.225 178.382 176.117 0.067 0.000 1.117 62 I CA 1.379 62.765 61.300 0.143 0.000 1.404 62 I CB -0.651 37.476 38.000 0.211 0.000 1.071 62 I HN 0.118 nan 8.210 nan 0.000 0.419 63 I N 1.430 122.043 120.570 0.071 0.000 2.127 63 I HA -0.291 3.880 4.170 0.001 0.000 0.241 63 I C 2.806 178.879 176.117 -0.074 0.000 1.075 63 I CA 1.905 63.223 61.300 0.030 0.000 1.334 63 I CB -0.429 37.630 38.000 0.099 0.000 1.040 63 I HN 0.257 nan 8.210 nan 0.000 0.405 64 K N 0.990 121.372 120.400 -0.030 0.000 2.097 64 K HA -0.163 4.157 4.320 0.001 0.000 0.206 64 K C 2.169 178.702 176.600 -0.111 0.000 1.049 64 K CA 1.330 57.578 56.287 -0.066 0.000 0.933 64 K CB -0.097 32.403 32.500 -0.000 0.000 0.717 64 K HN 0.313 nan 8.250 nan 0.000 0.442 65 A N 0.931 123.704 122.820 -0.078 0.000 1.933 65 A HA -0.112 4.209 4.320 0.001 0.000 0.218 65 A C 2.282 179.764 177.584 -0.169 0.000 1.175 65 A CA 1.852 53.825 52.037 -0.107 0.000 0.628 65 A CB -0.718 18.239 19.000 -0.072 0.000 0.814 65 A HN 0.465 nan 8.150 nan 0.000 0.444 66 A N -0.244 122.490 122.820 -0.143 0.000 1.897 66 A HA 0.240 4.561 4.320 0.001 0.000 0.215 66 A C 2.502 179.927 177.584 -0.264 0.000 1.181 66 A CA 1.855 53.806 52.037 -0.144 0.000 0.620 66 A CB -0.987 17.997 19.000 -0.027 0.000 0.821 66 A HN 1.016 nan 8.150 nan 0.000 0.443 67 A N 0.176 122.774 122.820 -0.370 0.000 1.902 67 A HA -0.185 4.136 4.320 0.001 0.000 0.217 67 A C 1.658 179.063 177.584 -0.298 0.000 1.181 67 A CA 1.878 53.610 52.037 -0.508 0.000 0.623 67 A CB -0.629 17.876 19.000 -0.826 0.000 0.818 67 A HN 0.424 nan 8.150 nan 0.000 0.443 68 D N -0.262 119.992 120.400 -0.243 0.000 2.309 68 D HA -0.059 4.582 4.640 0.001 0.000 0.212 68 D C 1.368 177.520 176.300 -0.247 0.000 0.968 68 D CA 0.765 54.650 54.000 -0.192 0.000 0.882 68 D CB -0.160 40.550 40.800 -0.151 0.000 0.918 68 D HN 0.479 nan 8.370 nan 0.000 0.503 69 L N 0.270 121.253 121.223 -0.400 0.000 2.607 69 L HA 0.202 4.543 4.340 0.001 0.000 0.228 69 L C 0.586 177.223 176.870 -0.388 0.000 1.123 69 L CA -0.242 54.255 54.840 -0.571 0.000 0.890 69 L CB 0.221 41.548 42.059 -1.219 0.000 1.103 69 L HN -0.142 nan 8.230 nan 0.000 0.468 70 I N 0.908 121.360 120.570 -0.197 0.000 2.662 70 I HA -0.039 4.131 4.170 0.001 0.000 0.285 70 I C 0.663 176.756 176.117 -0.041 0.000 1.161 70 I CA 0.604 61.884 61.300 -0.034 0.000 1.415 70 I CB 0.234 38.211 38.000 -0.039 0.000 1.385 70 I HN 0.241 nan 8.210 nan 0.000 0.552 71 S N 5.681 121.379 115.700 -0.003 0.000 2.656 71 S HA 0.459 4.930 4.470 0.001 0.000 0.273 71 S C 0.659 175.199 174.600 -0.099 0.000 1.168 71 S CA -1.150 57.018 58.200 -0.053 0.000 0.817 71 S CB 1.621 64.794 63.200 -0.045 0.000 1.146 71 S HN 0.678 nan 8.310 nan 0.000 0.475 72 R N 0.586 120.959 120.500 -0.212 0.000 2.115 72 R HA -0.022 4.319 4.340 0.001 0.000 0.230 72 R C 0.319 176.497 176.300 -0.204 0.000 1.111 72 R CA 1.568 57.395 56.100 -0.455 0.000 0.976 72 R CB -0.826 28.972 30.300 -0.837 0.000 0.870 72 R HN 0.627 nan 8.270 nan 0.000 0.445 73 D N 1.301 121.656 120.400 -0.076 0.000 2.234 73 D HA 0.023 4.664 4.640 0.001 0.000 0.205 73 D C 0.374 176.699 176.300 0.041 0.000 0.962 73 D CA 1.046 55.050 54.000 0.008 0.000 0.855 73 D CB 0.342 41.145 40.800 0.005 0.000 0.951 73 D HN 0.350 nan 8.370 nan 0.000 0.500 74 A N 1.665 124.522 122.820 0.062 0.000 3.204 74 A HA 0.321 4.642 4.320 0.001 0.000 0.327 74 A C -1.717 175.933 177.584 0.110 0.000 0.998 74 A CA -0.983 51.118 52.037 0.107 0.000 0.891 74 A CB 0.918 20.067 19.000 0.248 0.000 1.061 74 A HN -0.131 nan 8.150 nan 0.000 0.478 75 P HA -0.136 nan 4.420 nan 0.000 0.218 75 P C 0.312 177.657 177.300 0.075 0.000 1.149 75 P CA 1.105 64.242 63.100 0.062 0.000 0.817 75 P CB 0.275 32.032 31.700 0.095 0.000 0.785 76 D N -1.362 119.074 120.400 0.060 0.000 2.384 76 D HA -0.127 4.514 4.640 0.001 0.000 0.222 76 D C 1.519 177.791 176.300 -0.046 0.000 0.976 76 D CA 0.668 54.704 54.000 0.060 0.000 0.915 76 D CB -0.785 40.006 40.800 -0.014 0.000 0.896 76 D HN 0.226 nan 8.370 nan 0.000 0.523 77 Y N 0.987 121.282 120.300 -0.008 0.000 2.352 77 Y HA -0.103 4.448 4.550 0.002 0.000 0.292 77 Y C 2.319 178.158 175.900 -0.101 0.000 1.136 77 Y CA 0.759 58.824 58.100 -0.059 0.000 1.227 77 Y CB -0.199 38.211 38.460 -0.083 0.000 0.991 77 Y HN 0.070 nan 8.280 nan 0.000 0.545 78 Q N -1.195 118.603 119.800 -0.003 0.000 2.112 78 Q HA -0.258 4.082 4.340 0.001 0.000 0.206 78 Q C 1.650 177.514 176.000 -0.227 0.000 0.987 78 Q CA 2.095 57.796 55.803 -0.169 0.000 0.858 78 Q CB -0.398 28.094 28.738 -0.410 0.000 0.905 78 Q HN 0.561 nan 8.270 nan 0.000 0.420 79 Y N -0.342 119.993 120.300 0.059 0.000 2.314 79 Y HA -0.122 4.429 4.550 0.002 0.000 0.294 79 Y C 1.975 177.877 175.900 0.005 0.000 1.119 79 Y CA 0.418 58.540 58.100 0.036 0.000 1.179 79 Y CB -0.306 38.148 38.460 -0.009 0.000 1.025 79 Y HN 0.097 nan 8.280 nan 0.000 0.541 80 L N 0.255 121.528 121.223 0.083 0.000 1.994 80 L HA -0.169 4.172 4.340 0.001 0.000 0.208 80 L C 2.389 179.295 176.870 0.060 0.000 1.071 80 L CA 2.145 57.001 54.840 0.026 0.000 0.745 80 L CB -1.006 41.063 42.059 0.016 0.000 0.892 80 L HN 0.136 nan 8.230 nan 0.000 0.431 81 A N -0.738 122.109 122.820 0.045 0.000 1.930 81 A HA -0.061 4.260 4.320 0.001 0.000 0.217 81 A C 2.436 180.147 177.584 0.211 0.000 1.175 81 A CA 1.647 53.678 52.037 -0.010 0.000 0.627 81 A CB -1.143 17.625 19.000 -0.387 0.000 0.815 81 A HN 0.579 nan 8.150 nan 0.000 0.443 82 A N 0.178 123.162 122.820 0.273 0.000 1.883 82 A HA -0.215 4.106 4.320 0.001 0.000 0.217 82 A C 2.258 180.030 177.584 0.313 0.000 1.186 82 A CA 1.734 53.973 52.037 0.337 0.000 0.624 82 A CB -0.500 18.675 19.000 0.291 0.000 0.822 82 A HN 0.568 nan 8.150 nan 0.000 0.444 83 R N -0.609 120.039 120.500 0.246 0.000 2.075 83 R HA 0.007 4.348 4.340 0.001 0.000 0.232 83 R C 2.097 178.641 176.300 0.406 0.000 1.126 83 R CA 1.318 57.562 56.100 0.241 0.000 0.963 83 R CB -0.542 29.698 30.300 -0.101 0.000 0.858 83 R HN 0.508 nan 8.270 nan 0.000 0.435 84 L N 0.336 121.739 121.223 0.299 0.000 2.012 84 L HA -0.199 4.142 4.340 0.001 0.000 0.210 84 L C 2.720 179.813 176.870 0.372 0.000 1.073 84 L CA 1.443 56.473 54.840 0.316 0.000 0.748 84 L CB -0.634 41.533 42.059 0.181 0.000 0.891 84 L HN 0.254 nan 8.230 nan 0.000 0.431 85 A N 0.060 123.085 122.820 0.342 0.000 1.902 85 A HA -0.176 4.145 4.320 0.001 0.000 0.217 85 A C 2.219 180.006 177.584 0.338 0.000 1.181 85 A CA 1.347 53.585 52.037 0.336 0.000 0.623 85 A CB -0.525 18.668 19.000 0.322 0.000 0.818 85 A HN 0.262 nan 8.150 nan 0.000 0.443 86 I N -1.333 119.455 120.570 0.362 0.000 2.163 86 I HA -0.234 3.936 4.170 0.001 0.000 0.243 86 I C 2.334 178.687 176.117 0.393 0.000 1.085 86 I CA 1.471 62.983 61.300 0.355 0.000 1.347 86 I CB -1.387 36.880 38.000 0.444 0.000 1.044 86 I HN 0.469 nan 8.210 nan 0.000 0.408 87 F N 1.537 121.720 119.950 0.389 0.000 2.065 87 F HA -0.336 4.191 4.527 0.001 0.000 0.298 87 F C 2.887 178.771 175.800 0.140 0.000 1.112 87 F CA 2.427 60.617 58.000 0.317 0.000 1.212 87 F CB -0.640 38.486 39.000 0.210 0.000 0.975 87 F HN 0.192 nan 8.300 nan 0.000 0.476 88 H N 0.226 119.417 119.070 0.203 0.000 2.319 88 H HA -0.208 4.349 4.556 0.001 0.000 0.297 88 H C 2.046 177.355 175.328 -0.032 0.000 1.097 88 H CA 2.632 58.685 56.048 0.009 0.000 1.285 88 H CB -0.613 29.201 29.762 0.088 0.000 1.368 88 H HN 0.389 nan 8.280 nan 0.000 0.495 89 L N -0.364 120.818 121.223 -0.068 0.000 2.141 89 L HA -0.119 4.222 4.340 0.001 0.000 0.209 89 L C 2.702 179.408 176.870 -0.273 0.000 1.094 89 L CA 0.781 55.507 54.840 -0.189 0.000 0.763 89 L CB -0.286 41.736 42.059 -0.062 0.000 0.908 89 L HN 0.239 nan 8.230 nan 0.000 0.437 90 R N 0.545 120.916 120.500 -0.215 0.000 2.081 90 R HA -0.130 4.211 4.340 0.001 0.000 0.235 90 R C 2.166 178.290 176.300 -0.292 0.000 1.131 90 R CA 1.235 57.180 56.100 -0.259 0.000 0.960 90 R CB -0.377 29.793 30.300 -0.218 0.000 0.856 90 R HN 0.431 nan 8.270 nan 0.000 0.436 91 K N 0.622 120.840 120.400 -0.304 0.000 2.031 91 K HA -0.066 4.255 4.320 0.001 0.000 0.205 91 K C 2.152 178.620 176.600 -0.220 0.000 1.049 91 K CA 0.922 57.067 56.287 -0.237 0.000 0.939 91 K CB -0.080 32.289 32.500 -0.219 0.000 0.717 91 K HN 0.053 nan 8.250 nan 0.000 0.438 92 K N 0.407 120.619 120.400 -0.313 0.000 2.113 92 K HA -0.162 4.158 4.320 0.001 0.000 0.208 92 K C 2.012 178.463 176.600 -0.249 0.000 1.047 92 K CA 1.467 57.586 56.287 -0.280 0.000 0.928 92 K CB -0.031 32.252 32.500 -0.362 0.000 0.716 92 K HN 0.154 nan 8.250 nan 0.000 0.446 93 A N -0.532 122.057 122.820 -0.386 0.000 1.943 93 A HA -0.027 4.294 4.320 0.001 0.000 0.213 93 A C 1.077 178.439 177.584 -0.370 0.000 1.181 93 A CA 0.805 52.543 52.037 -0.498 0.000 0.653 93 A CB -0.038 18.400 19.000 -0.937 0.000 0.833 93 A HN 0.274 nan 8.150 nan 0.000 0.451 94 Y N -1.523 118.743 120.300 -0.058 0.000 2.453 94 Y HA 0.406 4.957 4.550 0.002 0.000 0.247 94 Y C 1.755 177.618 175.900 -0.061 0.000 1.124 94 Y CA -0.567 57.500 58.100 -0.054 0.000 1.243 94 Y CB -0.181 38.219 38.460 -0.099 0.000 1.213 94 Y HN 0.384 nan 8.280 nan 0.000 0.523 95 G N 1.043 109.861 108.800 0.031 0.000 2.175 95 G HA2 -0.279 3.682 3.960 0.001 0.000 0.265 95 G HA3 -0.279 3.682 3.960 0.001 0.000 0.265 95 G C 0.149 175.048 174.900 -0.001 0.000 0.979 95 G CA 0.889 45.993 45.100 0.007 0.000 0.663 95 G HN 0.520 nan 8.290 nan 0.000 0.533 96 Q N -2.857 116.943 119.800 0.000 0.000 2.685 96 Q HA 0.691 5.032 4.340 0.001 0.000 0.301 96 Q C 0.485 176.450 176.000 -0.060 0.000 0.924 96 Q CA -0.691 55.095 55.803 -0.027 0.000 0.755 96 Q CB 0.303 29.038 28.738 -0.004 0.000 1.470 96 Q HN 0.475 nan 8.270 nan 0.000 0.434 97 F N 0.768 120.569 119.950 -0.250 0.000 2.219 97 F HA 0.215 4.742 4.527 0.001 0.000 0.294 97 F C 0.663 176.358 175.800 -0.176 0.000 1.086 97 F CA 0.663 58.476 58.000 -0.311 0.000 1.330 97 F CB 0.502 39.265 39.000 -0.395 0.000 1.047 97 F HN 0.520 nan 8.300 nan 0.000 0.495 98 E N 3.224 123.311 120.200 -0.187 0.000 2.415 98 E HA 0.079 4.430 4.350 0.001 0.000 0.260 98 E C -2.278 174.062 176.600 -0.434 0.000 1.016 98 E CA -1.697 54.522 56.400 -0.302 0.000 0.924 98 E CB 0.364 29.998 29.700 -0.111 0.000 0.961 98 E HN 0.120 nan 8.360 nan 0.000 0.459 99 P HA 0.139 nan 4.420 nan 0.000 0.275 99 P C -2.276 174.697 177.300 -0.545 0.000 1.228 99 P CA -1.134 61.357 63.100 -1.016 0.000 0.786 99 P CB 0.038 30.909 31.700 -1.382 0.000 0.927 100 P HA 0.064 nan 4.420 nan 0.000 0.272 100 P C -0.482 176.821 177.300 0.006 0.000 1.254 100 P CA -0.214 62.790 63.100 -0.160 0.000 0.795 100 P CB 0.294 31.922 31.700 -0.119 0.000 1.022 101 A N 0.633 123.468 122.820 0.024 0.000 2.531 101 A HA -0.016 4.305 4.320 0.001 0.000 0.236 101 A C 1.423 179.036 177.584 0.050 0.000 1.062 101 A CA -0.319 51.761 52.037 0.071 0.000 0.760 101 A CB -0.630 18.405 19.000 0.057 0.000 0.995 101 A HN 0.635 nan 8.150 nan 0.000 0.501 102 L N 2.507 123.776 121.223 0.077 0.000 2.013 102 L HA -0.203 4.138 4.340 0.001 0.000 0.212 102 L C 2.016 178.802 176.870 -0.139 0.000 1.073 102 L CA 2.589 57.387 54.840 -0.070 0.000 0.753 102 L CB -1.123 40.986 42.059 0.085 0.000 0.890 102 L HN 0.865 nan 8.230 nan 0.000 0.432 103 Y N 0.683 120.873 120.300 -0.183 0.000 2.128 103 Y HA -0.276 4.275 4.550 0.002 0.000 0.284 103 Y C 2.349 178.071 175.900 -0.297 0.000 1.154 103 Y CA 2.202 60.096 58.100 -0.344 0.000 1.149 103 Y CB -0.449 37.904 38.460 -0.178 0.000 0.976 103 Y HN 0.366 nan 8.280 nan 0.000 0.505 104 D N -1.480 118.813 120.400 -0.178 0.000 2.144 104 D HA -0.209 4.432 4.640 0.001 0.000 0.199 104 D C 1.971 178.119 176.300 -0.253 0.000 0.984 104 D CA 1.841 55.712 54.000 -0.214 0.000 0.834 104 D CB -0.601 40.158 40.800 -0.067 0.000 0.955 104 D HN 0.533 nan 8.370 nan 0.000 0.465 105 H N 0.959 119.837 119.070 -0.320 0.000 2.293 105 H HA -0.065 4.492 4.556 0.001 0.000 0.300 105 H C 1.991 177.110 175.328 -0.349 0.000 1.082 105 H CA 1.568 57.420 56.048 -0.327 0.000 1.308 105 H CB -0.311 29.136 29.762 -0.525 0.000 1.375 105 H HN -0.113 nan 8.280 nan 0.000 0.495 106 V N -0.094 119.521 119.914 -0.498 0.000 2.295 106 V HA -0.252 3.869 4.120 0.001 0.000 0.246 106 V C 2.715 178.516 176.094 -0.488 0.000 1.049 106 V CA 1.549 63.588 62.300 -0.436 0.000 1.024 106 V CB -0.817 30.687 31.823 -0.532 0.000 0.648 106 V HN 0.333 nan 8.190 nan 0.000 0.447 107 V N 0.029 119.566 119.914 -0.629 0.000 2.252 107 V HA -0.374 3.747 4.120 0.001 0.000 0.249 107 V C 2.494 178.360 176.094 -0.379 0.000 1.056 107 V CA 2.629 64.609 62.300 -0.533 0.000 1.022 107 V CB -0.721 30.730 31.823 -0.619 0.000 0.641 107 V HN 0.560 nan 8.190 nan 0.000 0.445 108 K N -0.973 119.202 120.400 -0.375 0.000 2.097 108 K HA -0.187 4.133 4.320 0.001 0.000 0.206 108 K C 2.184 178.545 176.600 -0.398 0.000 1.049 108 K CA 1.536 57.628 56.287 -0.324 0.000 0.933 108 K CB -0.107 32.232 32.500 -0.267 0.000 0.717 108 K HN 0.287 nan 8.250 nan 0.000 0.442 109 M N 0.400 119.666 119.600 -0.556 0.000 2.200 109 M HA -0.108 4.372 4.480 0.001 0.000 0.265 109 M C 2.219 178.266 176.300 -0.421 0.000 1.066 109 M CA 0.927 55.813 55.300 -0.689 0.000 1.127 109 M CB -0.506 31.269 32.600 -1.375 0.000 1.379 109 M HN -0.012 nan 8.290 nan 0.000 0.420 110 V N 0.236 119.979 119.914 -0.284 0.000 2.307 110 V HA -0.244 3.877 4.120 0.001 0.000 0.245 110 V C 2.205 178.204 176.094 -0.158 0.000 1.045 110 V CA 1.772 63.979 62.300 -0.156 0.000 1.024 110 V CB -0.686 31.064 31.823 -0.123 0.000 0.651 110 V HN 0.383 nan 8.190 nan 0.000 0.449 111 E N -0.216 119.871 120.200 -0.189 0.000 2.114 111 E HA -0.265 4.085 4.350 0.001 0.000 0.199 111 E C 2.085 178.585 176.600 -0.166 0.000 1.008 111 E CA 1.903 58.205 56.400 -0.162 0.000 0.810 111 E CB -0.247 29.351 29.700 -0.171 0.000 0.739 111 E HN 0.550 nan 8.360 nan 0.000 0.456 112 M N -1.754 117.709 119.600 -0.229 0.000 2.558 112 M HA 0.128 4.608 4.480 0.001 0.000 0.255 112 M C 1.217 177.402 176.300 -0.192 0.000 1.113 112 M CA 0.809 55.964 55.300 -0.241 0.000 1.097 112 M CB 0.640 33.010 32.600 -0.382 0.000 1.426 112 M HN 0.307 nan 8.290 nan 0.000 0.488 113 G N 0.495 109.199 108.800 -0.160 0.000 2.141 113 G HA2 -0.213 3.748 3.960 0.001 0.000 0.242 113 G HA3 -0.213 3.748 3.960 0.001 0.000 0.242 113 G C 0.906 175.763 174.900 -0.072 0.000 0.982 113 G CA 0.189 45.234 45.100 -0.091 0.000 0.662 113 G HN 0.286 nan 8.290 nan 0.000 0.527 114 K N -0.905 119.409 120.400 -0.145 0.000 2.166 114 K HA 0.219 4.540 4.320 0.001 0.000 0.201 114 K C 0.613 177.263 176.600 0.083 0.000 1.052 114 K CA 0.636 56.865 56.287 -0.097 0.000 0.969 114 K CB 0.076 32.414 32.500 -0.271 0.000 0.761 114 K HN 0.422 nan 8.250 nan 0.000 0.459 115 Y N 1.550 121.803 120.300 -0.079 0.000 2.387 115 Y HA 0.201 4.752 4.550 0.001 0.000 0.330 115 Y C 0.551 176.429 175.900 -0.038 0.000 1.133 115 Y CA -2.343 55.724 58.100 -0.054 0.000 1.152 115 Y CB 0.469 38.861 38.460 -0.114 0.000 1.215 115 Y HN -0.029 nan 8.280 nan 0.000 0.466 116 D N 2.107 122.604 120.400 0.163 0.000 2.424 116 D HA -0.081 4.560 4.640 0.001 0.000 0.244 116 D C 0.909 177.239 176.300 0.050 0.000 1.134 116 D CA 0.098 54.165 54.000 0.112 0.000 0.881 116 D CB 0.754 41.663 40.800 0.182 0.000 1.191 116 D HN 0.780 nan 8.370 nan 0.000 0.445 117 N N 3.373 122.114 118.700 0.068 0.000 2.550 117 N HA -0.223 4.518 4.740 0.001 0.000 0.186 117 N C 1.419 176.990 175.510 0.101 0.000 1.110 117 N CA 0.534 53.617 53.050 0.056 0.000 0.912 117 N CB -0.386 38.128 38.487 0.044 0.000 0.968 117 N HN 0.607 nan 8.380 nan 0.000 0.448 118 H N 0.630 119.774 119.070 0.123 0.000 2.421 118 H HA 0.036 4.593 4.556 0.001 0.000 0.298 118 H C 2.131 177.578 175.328 0.199 0.000 1.087 118 H CA 0.860 56.993 56.048 0.142 0.000 1.330 118 H CB -0.520 29.329 29.762 0.146 0.000 1.388 118 H HN 0.111 nan 8.280 nan 0.000 0.526 119 L N -0.061 121.009 121.223 -0.255 0.000 2.043 119 L HA -0.179 4.162 4.340 0.001 0.000 0.212 119 L C 2.395 179.509 176.870 0.405 0.000 1.075 119 L CA 1.458 56.324 54.840 0.044 0.000 0.752 119 L CB -0.313 41.751 42.059 0.007 0.000 0.891 119 L HN 0.370 nan 8.230 nan 0.000 0.432 120 L N -1.228 120.160 121.223 0.276 0.000 2.313 120 L HA -0.131 4.210 4.340 0.001 0.000 0.214 120 L C 2.298 179.341 176.870 0.288 0.000 1.119 120 L CA 0.654 55.690 54.840 0.328 0.000 0.809 120 L CB -0.279 41.850 42.059 0.117 0.000 0.933 120 L HN 0.252 nan 8.230 nan 0.000 0.449 121 E N 0.083 120.412 120.200 0.216 0.000 2.072 121 E HA -0.181 4.169 4.350 0.001 0.000 0.190 121 E C 1.432 178.116 176.600 0.139 0.000 0.982 121 E CA 1.072 57.571 56.400 0.165 0.000 0.803 121 E CB 0.190 29.979 29.700 0.148 0.000 0.755 121 E HN 0.390 nan 8.360 nan 0.000 0.453 122 D N -1.082 119.416 120.400 0.162 0.000 2.289 122 D HA -0.026 4.615 4.640 0.001 0.000 0.207 122 D C -0.358 175.752 176.300 -0.316 0.000 0.966 122 D CA 0.887 54.859 54.000 -0.046 0.000 0.868 122 D CB 0.263 41.063 40.800 -0.000 0.000 0.943 122 D HN 0.131 nan 8.370 nan 0.000 0.514 123 Y N -0.370 119.966 120.300 0.060 0.000 2.462 123 Y HA 0.285 4.836 4.550 0.001 0.000 0.346 123 Y C 0.730 176.693 175.900 0.105 0.000 0.976 123 Y CA -1.236 56.815 58.100 -0.082 0.000 1.044 123 Y CB 1.597 39.709 38.460 -0.579 0.000 1.230 123 Y HN -0.318 nan 8.280 nan 0.000 0.455 124 T N -2.439 112.225 114.554 0.183 0.000 2.874 124 T HA 0.161 4.511 4.350 0.001 0.000 0.281 124 T C 1.070 175.902 174.700 0.220 0.000 0.994 124 T CA -0.546 61.658 62.100 0.173 0.000 1.015 124 T CB 1.419 70.321 68.868 0.057 0.000 1.028 124 T HN 0.882 nan 8.240 nan 0.000 0.523 125 E N 0.534 120.742 120.200 0.014 0.000 2.147 125 E HA -0.279 4.072 4.350 0.001 0.000 0.199 125 E C 1.692 178.206 176.600 -0.144 0.000 1.005 125 E CA 1.918 58.093 56.400 -0.376 0.000 0.810 125 E CB -0.095 29.144 29.700 -0.768 0.000 0.736 125 E HN 0.836 nan 8.360 nan 0.000 0.460 126 E N 0.494 120.643 120.200 -0.085 0.000 2.077 126 E HA -0.188 4.163 4.350 0.001 0.000 0.193 126 E C 1.971 178.542 176.600 -0.048 0.000 0.989 126 E CA 1.496 57.858 56.400 -0.063 0.000 0.800 126 E CB -0.058 29.614 29.700 -0.046 0.000 0.746 126 E HN 0.358 nan 8.360 nan 0.000 0.452 127 E N -0.368 119.815 120.200 -0.027 0.000 2.150 127 E HA -0.128 4.223 4.350 0.001 0.000 0.193 127 E C 1.625 178.112 176.600 -0.189 0.000 0.985 127 E CA 0.675 57.028 56.400 -0.079 0.000 0.814 127 E CB -0.112 29.588 29.700 0.001 0.000 0.752 127 E HN 0.219 nan 8.360 nan 0.000 0.466 128 F N 1.422 121.343 119.950 -0.048 0.000 2.186 128 F HA -0.107 4.421 4.527 0.001 0.000 0.299 128 F C 2.248 177.979 175.800 -0.116 0.000 1.090 128 F CA 0.935 58.895 58.000 -0.066 0.000 1.307 128 F CB -0.052 39.008 39.000 0.100 0.000 1.019 128 F HN -0.159 nan 8.300 nan 0.000 0.489 129 K N 0.112 120.546 120.400 0.056 0.000 2.032 129 K HA -0.251 4.070 4.320 0.001 0.000 0.209 129 K C 2.120 178.631 176.600 -0.149 0.000 1.048 129 K CA 1.535 57.801 56.287 -0.036 0.000 0.927 129 K CB -0.513 31.953 32.500 -0.057 0.000 0.712 129 K HN 0.384 nan 8.250 nan 0.000 0.441 130 Q N 0.291 119.960 119.800 -0.219 0.000 2.050 130 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 130 Q C 2.218 177.709 176.000 -0.848 0.000 0.980 130 Q CA 1.370 56.933 55.803 -0.400 0.000 0.840 130 Q CB 0.036 28.593 28.738 -0.301 0.000 0.898 130 Q HN 0.288 nan 8.270 nan 0.000 0.424 131 M N 0.261 119.424 119.600 -0.728 0.000 2.149 131 M HA -0.207 4.274 4.480 0.001 0.000 0.261 131 M C 1.630 177.622 176.300 -0.513 0.000 1.064 131 M CA 1.240 56.070 55.300 -0.784 0.000 1.102 131 M CB -0.248 32.133 32.600 -0.365 0.000 1.369 131 M HN 0.142 nan 8.290 nan 0.000 0.408 132 D N -0.027 120.210 120.400 -0.271 0.000 2.218 132 D HA -0.129 4.512 4.640 0.001 0.000 0.204 132 D C 1.980 178.192 176.300 -0.146 0.000 0.976 132 D CA 1.845 55.775 54.000 -0.116 0.000 0.853 132 D CB -0.025 40.772 40.800 -0.004 0.000 0.939 132 D HN 0.447 nan 8.370 nan 0.000 0.481 133 T N -2.169 112.241 114.554 -0.240 0.000 2.951 133 T HA -0.113 4.238 4.350 0.001 0.000 0.268 133 T C 1.899 176.608 174.700 0.014 0.000 1.073 133 T CA 0.478 62.505 62.100 -0.122 0.000 1.134 133 T CB -0.556 68.245 68.868 -0.111 0.000 0.884 133 T HN -0.059 nan 8.240 nan 0.000 0.479 134 F N 1.850 121.743 119.950 -0.094 0.000 2.186 134 F HA 0.351 4.879 4.527 0.001 0.000 0.299 134 F C 1.440 177.155 175.800 -0.140 0.000 1.090 134 F CA -1.211 56.723 58.000 -0.109 0.000 1.307 134 F CB -1.145 37.753 39.000 -0.170 0.000 1.019 134 F HN 0.191 nan 8.300 nan 0.000 0.489 135 I N 1.584 122.081 120.570 -0.121 0.000 2.710 135 I HA -0.082 4.088 4.170 0.001 0.000 0.286 135 I C -0.001 176.078 176.117 -0.063 0.000 1.181 135 I CA 0.472 61.631 61.300 -0.236 0.000 1.430 135 I CB 0.155 37.940 38.000 -0.358 0.000 1.367 135 I HN -0.043 nan 8.210 nan 0.000 0.577 136 D N 5.577 126.000 120.400 0.038 0.000 2.440 136 D HA 0.165 4.806 4.640 0.001 0.000 0.252 136 D C 0.835 177.132 176.300 -0.004 0.000 1.180 136 D CA -0.383 53.629 54.000 0.021 0.000 0.894 136 D CB 0.589 41.428 40.800 0.066 0.000 1.111 136 D HN 0.394 nan 8.370 nan 0.000 0.544 137 H N 1.853 120.956 119.070 0.055 0.000 2.545 137 H HA -0.055 4.502 4.556 0.001 0.000 0.282 137 H C 0.491 175.872 175.328 0.088 0.000 1.020 137 H CA 0.709 56.769 56.048 0.019 0.000 1.243 137 H CB 0.521 30.218 29.762 -0.110 0.000 1.377 137 H HN 0.484 nan 8.280 nan 0.000 0.581 138 D N 0.575 121.094 120.400 0.198 0.000 2.310 138 D HA -0.078 4.563 4.640 0.001 0.000 0.212 138 D C 2.009 178.384 176.300 0.125 0.000 0.965 138 D CA 0.316 54.432 54.000 0.193 0.000 0.879 138 D CB 0.010 40.905 40.800 0.159 0.000 0.921 138 D HN 0.414 nan 8.370 nan 0.000 0.510 139 R N 0.706 121.245 120.500 0.065 0.000 2.241 139 R HA -0.090 4.251 4.340 0.001 0.000 0.224 139 R C 0.990 177.284 176.300 -0.011 0.000 1.101 139 R CA 0.641 56.712 56.100 -0.048 0.000 0.995 139 R CB -0.166 30.038 30.300 -0.160 0.000 0.870 139 R HN 0.146 nan 8.270 nan 0.000 0.463 140 D N 0.699 121.229 120.400 0.217 0.000 2.263 140 D HA -0.127 4.514 4.640 0.001 0.000 0.208 140 D C 1.380 177.927 176.300 0.412 0.000 0.971 140 D CA 1.057 55.331 54.000 0.457 0.000 0.867 140 D CB 0.037 41.105 40.800 0.447 0.000 0.929 140 D HN 0.046 nan 8.370 nan 0.000 0.492 141 M N -0.267 119.478 119.600 0.243 0.000 2.562 141 M HA -0.012 4.468 4.480 0.001 0.000 0.257 141 M C 1.733 178.104 176.300 0.119 0.000 1.099 141 M CA 0.728 56.140 55.300 0.187 0.000 1.099 141 M CB -0.413 32.252 32.600 0.107 0.000 1.427 141 M HN 0.019 nan 8.290 nan 0.000 0.489 142 T N -3.043 111.537 114.554 0.043 0.000 3.081 142 T HA 0.151 4.502 4.350 0.001 0.000 0.250 142 T C 0.437 175.255 174.700 0.196 0.000 1.100 142 T CA -0.236 61.869 62.100 0.009 0.000 1.038 142 T CB -0.429 68.407 68.868 -0.053 0.000 0.962 142 T HN -0.007 nan 8.240 nan 0.000 0.516 143 F N 3.699 123.887 119.950 0.396 0.000 2.418 143 F HA 0.464 4.991 4.527 0.002 0.000 0.341 143 F C 1.356 177.343 175.800 0.312 0.000 1.120 143 F CA -0.968 57.222 58.000 0.317 0.000 1.232 143 F CB 0.695 39.831 39.000 0.226 0.000 1.175 143 F HN 0.159 nan 8.300 nan 0.000 0.569 144 S N 2.269 118.137 115.700 0.280 0.000 2.669 144 S HA 0.136 4.607 4.470 0.001 0.000 0.270 144 S C 0.810 175.421 174.600 0.017 0.000 1.225 144 S CA -0.600 57.506 58.200 -0.157 0.000 0.991 144 S CB 0.468 63.497 63.200 -0.285 0.000 0.987 144 S HN 0.652 nan 8.310 nan 0.000 0.552 145 Y N 1.613 121.826 120.300 -0.145 0.000 2.151 145 Y HA -0.138 4.412 4.550 0.001 0.000 0.284 145 Y C 2.522 178.390 175.900 -0.054 0.000 1.166 145 Y CA 2.051 60.116 58.100 -0.059 0.000 1.163 145 Y CB -1.095 37.330 38.460 -0.058 0.000 0.974 145 Y HN 0.828 nan 8.280 nan 0.000 0.511 146 A N 0.197 122.936 122.820 -0.135 0.000 1.930 146 A HA -0.028 4.293 4.320 0.001 0.000 0.217 146 A C 2.458 179.911 177.584 -0.218 0.000 1.175 146 A CA 1.577 53.486 52.037 -0.212 0.000 0.627 146 A CB -1.449 17.493 19.000 -0.095 0.000 0.815 146 A HN 0.593 nan 8.150 nan 0.000 0.443 147 A N -0.292 122.439 122.820 -0.148 0.000 1.892 147 A HA -0.122 4.198 4.320 0.001 0.000 0.218 147 A C 2.231 179.641 177.584 -0.290 0.000 1.188 147 A CA 2.157 54.103 52.037 -0.152 0.000 0.631 147 A CB -1.060 17.973 19.000 0.055 0.000 0.822 147 A HN 0.455 nan 8.150 nan 0.000 0.447 148 V N 0.194 119.948 119.914 -0.267 0.000 2.358 148 V HA -0.204 3.917 4.120 0.001 0.000 0.246 148 V C 2.461 178.374 176.094 -0.302 0.000 1.047 148 V CA 2.085 64.206 62.300 -0.299 0.000 1.035 148 V CB -0.618 31.117 31.823 -0.146 0.000 0.658 148 V HN 0.407 nan 8.190 nan 0.000 0.452 149 K N 0.025 120.197 120.400 -0.379 0.000 2.147 149 K HA -0.123 4.198 4.320 0.001 0.000 0.205 149 K C 2.142 178.606 176.600 -0.226 0.000 1.049 149 K CA 1.107 57.204 56.287 -0.317 0.000 0.936 149 K CB -0.530 31.732 32.500 -0.396 0.000 0.722 149 K HN 0.463 nan 8.250 nan 0.000 0.446 150 Q N 0.545 120.194 119.800 -0.251 0.000 2.079 150 Q HA -0.018 4.322 4.340 0.001 0.000 0.200 150 Q C 2.401 178.230 176.000 -0.285 0.000 0.974 150 Q CA 0.962 56.618 55.803 -0.245 0.000 0.840 150 Q CB -0.290 28.275 28.738 -0.289 0.000 0.898 150 Q HN 0.309 nan 8.270 nan 0.000 0.430 151 L N 0.671 121.679 121.223 -0.360 0.000 1.989 151 L HA -0.222 4.119 4.340 0.001 0.000 0.211 151 L C 2.577 179.383 176.870 -0.106 0.000 1.071 151 L CA 1.550 56.218 54.840 -0.287 0.000 0.749 151 L CB -0.465 41.372 42.059 -0.371 0.000 0.890 151 L HN 0.306 nan 8.230 nan 0.000 0.431 152 E N -0.047 120.078 120.200 -0.126 0.000 2.106 152 E HA -0.173 4.177 4.350 0.001 0.000 0.192 152 E C 2.138 178.712 176.600 -0.043 0.000 0.984 152 E CA 1.082 57.439 56.400 -0.073 0.000 0.806 152 E CB -0.097 29.558 29.700 -0.075 0.000 0.750 152 E HN 0.478 nan 8.360 nan 0.000 0.458 153 G N 1.109 109.878 108.800 -0.052 0.000 2.403 153 G HA2 -0.234 3.727 3.960 0.001 0.000 0.216 153 G HA3 -0.234 3.727 3.960 0.001 0.000 0.216 153 G C 1.399 176.314 174.900 0.025 0.000 1.154 153 G CA 1.191 46.278 45.100 -0.022 0.000 0.784 153 G HN 0.371 nan 8.290 nan 0.000 0.538 154 K N -2.509 117.934 120.400 0.071 0.000 2.585 154 K HA 0.328 4.649 4.320 0.001 0.000 0.210 154 K C 0.853 177.628 176.600 0.292 0.000 1.294 154 K CA -0.316 56.064 56.287 0.155 0.000 1.025 154 K CB 0.139 32.730 32.500 0.153 0.000 1.076 154 K HN 0.148 nan 8.250 nan 0.000 0.613 155 Y N 1.819 122.114 120.300 -0.009 0.000 2.447 155 Y HA 0.367 4.917 4.550 0.001 0.000 0.286 155 Y C 0.885 176.796 175.900 0.019 0.000 1.153 155 Y CA -0.502 57.599 58.100 0.002 0.000 1.241 155 Y CB 0.264 38.701 38.460 -0.039 0.000 1.284 155 Y HN -0.150 nan 8.280 nan 0.000 0.520 156 L N 0.929 122.254 121.223 0.170 0.000 2.456 156 L HA 0.108 4.449 4.340 0.001 0.000 0.272 156 L C -0.115 176.823 176.870 0.113 0.000 1.189 156 L CA -0.393 54.519 54.840 0.119 0.000 0.846 156 L CB 0.351 42.443 42.059 0.056 0.000 1.111 156 L HN -0.229 nan 8.230 nan 0.000 0.475 157 V N 3.471 123.488 119.914 0.171 0.000 2.572 157 V HA 0.143 4.264 4.120 0.001 0.000 0.291 157 V C 0.258 176.420 176.094 0.114 0.000 1.039 157 V CA 0.052 62.469 62.300 0.195 0.000 1.055 157 V CB 0.817 32.825 31.823 0.308 0.000 0.969 157 V HN 0.932 nan 8.190 nan 0.000 0.482 158 Q N 3.684 123.506 119.800 0.036 0.000 2.630 158 Q HA 0.422 4.762 4.340 0.001 0.000 0.295 158 Q C -1.074 174.830 176.000 -0.160 0.000 0.944 158 Q CA -1.014 54.643 55.803 -0.243 0.000 0.766 158 Q CB 1.607 30.236 28.738 -0.180 0.000 1.471 158 Q HN 0.475 nan 8.270 nan 0.000 0.416 159 N N 0.706 119.212 118.700 -0.323 0.000 2.420 159 N HA 0.134 4.875 4.740 0.001 0.000 0.249 159 N C 0.359 175.828 175.510 -0.068 0.000 1.033 159 N CA 0.009 53.005 53.050 -0.091 0.000 0.944 159 N CB 1.349 39.796 38.487 -0.067 0.000 1.113 159 N HN 0.771 nan 8.380 nan 0.000 0.502 160 R N 2.963 123.453 120.500 -0.016 0.000 2.083 160 R HA -0.110 4.230 4.340 0.001 0.000 0.237 160 R C 1.416 177.709 176.300 -0.011 0.000 1.137 160 R CA 1.774 57.868 56.100 -0.011 0.000 0.951 160 R CB -0.143 30.161 30.300 0.006 0.000 0.851 160 R HN 0.468 nan 8.270 nan 0.000 0.434 161 V N -0.161 119.751 119.914 -0.003 0.000 2.221 161 V HA -0.245 3.876 4.120 0.001 0.000 0.240 161 V C 2.412 178.501 176.094 -0.008 0.000 1.041 161 V CA 2.353 64.653 62.300 -0.000 0.000 0.991 161 V CB -1.023 30.806 31.823 0.009 0.000 0.634 161 V HN 0.686 nan 8.190 nan 0.000 0.450 162 T N -2.118 112.429 114.554 -0.011 0.000 2.962 162 T HA 0.142 4.493 4.350 0.001 0.000 0.270 162 T C 1.639 176.318 174.700 -0.036 0.000 1.088 162 T CA 1.675 63.766 62.100 -0.015 0.000 1.127 162 T CB 0.192 69.058 68.868 -0.004 0.000 0.883 162 T HN 1.217 nan 8.240 nan 0.000 0.493 163 G N 1.140 109.901 108.800 -0.063 0.000 2.258 163 G HA2 -0.248 3.713 3.960 0.001 0.000 0.233 163 G HA3 -0.248 3.713 3.960 0.001 0.000 0.233 163 G C -0.106 174.707 174.900 -0.145 0.000 1.006 163 G CA 0.008 45.061 45.100 -0.078 0.000 0.620 163 G HN 0.690 nan 8.290 nan 0.000 0.511 164 E N 0.223 120.306 120.200 -0.195 0.000 2.608 164 E HA 0.269 4.620 4.350 0.001 0.000 0.259 164 E C -0.051 176.222 176.600 -0.545 0.000 0.951 164 E CA 0.347 56.553 56.400 -0.322 0.000 0.945 164 E CB 0.686 30.203 29.700 -0.305 0.000 0.916 164 E HN 0.364 nan 8.360 nan 0.000 0.477 165 I N 3.130 123.447 120.570 -0.423 0.000 2.377 165 I HA 0.050 4.221 4.170 0.001 0.000 0.293 165 I C -0.191 175.741 176.117 -0.309 0.000 0.987 165 I CA -0.114 60.959 61.300 -0.378 0.000 1.185 165 I CB 0.793 38.664 38.000 -0.215 0.000 1.341 165 I HN 0.518 nan 8.210 nan 0.000 0.455 166 Y N 3.750 124.016 120.300 -0.057 0.000 2.442 166 Y HA 0.260 4.811 4.550 0.002 0.000 0.250 166 Y C 0.702 176.647 175.900 0.075 0.000 1.113 166 Y CA -0.445 57.634 58.100 -0.035 0.000 1.273 166 Y CB -0.016 38.417 38.460 -0.046 0.000 1.138 166 Y HN 0.552 nan 8.280 nan 0.000 0.522 167 E N -0.495 119.826 120.200 0.202 0.000 2.446 167 E HA 0.631 4.982 4.350 0.001 0.000 0.276 167 E C -1.012 175.665 176.600 0.129 0.000 0.969 167 E CA -0.953 55.639 56.400 0.321 0.000 0.800 167 E CB 2.091 32.106 29.700 0.525 0.000 1.341 167 E HN -0.060 nan 8.360 nan 0.000 0.460 168 S N -0.334 115.486 115.700 0.200 0.000 2.689 168 S HA 0.665 5.136 4.470 0.001 0.000 0.306 168 S C 0.934 175.603 174.600 0.115 0.000 1.104 168 S CA -0.297 57.950 58.200 0.079 0.000 0.973 168 S CB 1.417 64.634 63.200 0.029 0.000 1.121 168 S HN 0.800 nan 8.310 nan 0.000 0.523 169 A N 0.758 123.640 122.820 0.103 0.000 1.908 169 A HA -0.115 4.206 4.320 0.001 0.000 0.218 169 A C 2.153 179.832 177.584 0.160 0.000 1.181 169 A CA 1.454 53.542 52.037 0.085 0.000 0.627 169 A CB -0.965 18.157 19.000 0.204 0.000 0.818 169 A HN 0.749 nan 8.150 nan 0.000 0.445 170 Q N -1.027 118.951 119.800 0.296 0.000 2.119 170 Q HA -0.105 4.236 4.340 0.001 0.000 0.201 170 Q C 1.830 178.063 176.000 0.389 0.000 0.972 170 Q CA 1.049 57.097 55.803 0.408 0.000 0.847 170 Q CB -0.643 28.199 28.738 0.173 0.000 0.903 170 Q HN 0.680 nan 8.270 nan 0.000 0.433 171 F N 0.932 121.034 119.950 0.252 0.000 2.102 171 F HA -0.141 4.387 4.527 0.001 0.000 0.298 171 F C 2.334 178.253 175.800 0.198 0.000 1.105 171 F CA 0.354 58.483 58.000 0.214 0.000 1.239 171 F CB -1.280 37.848 39.000 0.212 0.000 0.991 171 F HN 0.076 nan 8.300 nan 0.000 0.474 172 L N -1.137 120.294 121.223 0.347 0.000 2.013 172 L HA -0.320 4.020 4.340 0.001 0.000 0.212 172 L C 2.448 179.440 176.870 0.202 0.000 1.073 172 L CA 1.754 56.698 54.840 0.173 0.000 0.753 172 L CB -0.581 41.490 42.059 0.020 0.000 0.890 172 L HN 0.043 nan 8.230 nan 0.000 0.432 173 Y N -0.679 119.826 120.300 0.341 0.000 2.163 173 Y HA -0.229 4.321 4.550 0.001 0.000 0.288 173 Y C 2.301 178.454 175.900 0.422 0.000 1.136 173 Y CA 1.439 59.763 58.100 0.373 0.000 1.147 173 Y CB -0.552 38.145 38.460 0.395 0.000 0.987 173 Y HN 0.203 nan 8.280 nan 0.000 0.509 174 I N -0.319 120.569 120.570 0.530 0.000 2.286 174 I HA -0.232 3.939 4.170 0.001 0.000 0.248 174 I C 1.810 178.031 176.117 0.174 0.000 1.115 174 I CA 1.541 62.995 61.300 0.257 0.000 1.392 174 I CB -0.428 37.569 38.000 -0.006 0.000 1.065 174 I HN 0.129 nan 8.210 nan 0.000 0.418 175 L N -1.632 119.680 121.223 0.149 0.000 2.307 175 L HA -0.030 4.311 4.340 0.001 0.000 0.211 175 L C 2.395 179.271 176.870 0.009 0.000 1.099 175 L CA 0.153 54.998 54.840 0.009 0.000 0.816 175 L CB -0.490 41.491 42.059 -0.130 0.000 0.952 175 L HN 0.002 nan 8.230 nan 0.000 0.455 176 V N 0.560 120.531 119.914 0.096 0.000 2.287 176 V HA -0.339 3.782 4.120 0.001 0.000 0.248 176 V C 2.822 178.956 176.094 0.068 0.000 1.053 176 V CA 2.042 64.389 62.300 0.078 0.000 1.027 176 V CB -0.823 31.111 31.823 0.185 0.000 0.646 176 V HN 0.491 nan 8.190 nan 0.000 0.447 177 A N -0.052 122.912 122.820 0.239 0.000 1.883 177 A HA -0.190 4.131 4.320 0.001 0.000 0.217 177 A C 2.442 180.119 177.584 0.154 0.000 1.186 177 A CA 2.397 54.587 52.037 0.254 0.000 0.624 177 A CB -0.973 18.305 19.000 0.462 0.000 0.822 177 A HN 0.612 nan 8.150 nan 0.000 0.444 178 A N -1.140 121.714 122.820 0.057 0.000 1.940 178 A HA -0.196 4.125 4.320 0.001 0.000 0.219 178 A C 2.327 179.982 177.584 0.119 0.000 1.176 178 A CA 1.819 53.828 52.037 -0.046 0.000 0.631 178 A CB -1.271 17.500 19.000 -0.382 0.000 0.814 178 A HN 0.623 nan 8.150 nan 0.000 0.446 179 C N -0.922 118.386 119.300 0.014 0.000 2.453 179 C HA 0.015 4.476 4.460 0.001 0.000 0.277 179 C C 2.610 177.446 174.990 -0.256 0.000 1.262 179 C CA 0.915 59.914 59.018 -0.032 0.000 1.718 179 C CB -1.394 26.261 27.740 -0.142 0.000 2.031 179 C HN 0.625 nan 8.230 nan 0.000 0.480 180 L N -0.908 120.093 121.223 -0.371 0.000 2.201 180 L HA -0.055 4.286 4.340 0.001 0.000 0.212 180 L C 1.518 177.968 176.870 -0.701 0.000 1.105 180 L CA 1.513 55.969 54.840 -0.640 0.000 0.775 180 L CB -0.426 41.139 42.059 -0.823 0.000 0.913 180 L HN 0.303 nan 8.230 nan 0.000 0.440 181 F N -0.964 118.839 119.950 -0.244 0.000 2.641 181 F HA 0.053 4.581 4.527 0.001 0.000 0.302 181 F C 2.321 178.145 175.800 0.041 0.000 1.098 181 F CA 0.110 57.979 58.000 -0.218 0.000 1.318 181 F CB -0.186 38.592 39.000 -0.371 0.000 1.035 181 F HN 0.018 nan 8.300 nan 0.000 0.551 182 S N -0.392 115.416 115.700 0.180 0.000 2.400 182 S HA -0.256 4.215 4.470 0.001 0.000 0.232 182 S C 1.416 176.044 174.600 0.047 0.000 1.025 182 S CA 1.647 59.933 58.200 0.144 0.000 0.993 182 S CB -0.724 62.596 63.200 0.199 0.000 0.808 182 S HN 0.534 nan 8.310 nan 0.000 0.478 183 N N -0.264 118.493 118.700 0.095 0.000 2.461 183 N HA 0.174 4.915 4.740 0.001 0.000 0.188 183 N C -0.703 174.854 175.510 0.079 0.000 1.134 183 N CA -0.131 52.949 53.050 0.051 0.000 0.878 183 N CB 0.004 38.493 38.487 0.004 0.000 0.972 183 N HN 0.331 nan 8.380 nan 0.000 0.456 184 Y N 1.964 122.267 120.300 0.004 0.000 2.411 184 Y HA 0.122 4.673 4.550 0.001 0.000 0.333 184 Y C -1.716 174.200 175.900 0.027 0.000 1.186 184 Y CA -2.477 55.645 58.100 0.037 0.000 1.381 184 Y CB 0.207 38.741 38.460 0.125 0.000 1.273 184 Y HN 0.046 nan 8.280 nan 0.000 0.546 185 P HA -0.031 nan 4.420 nan 0.000 0.264 185 P C 0.319 177.677 177.300 0.098 0.000 1.183 185 P CA 0.153 63.283 63.100 0.049 0.000 0.763 185 P CB 0.701 32.415 31.700 0.022 0.000 0.807 186 R N 2.484 123.015 120.500 0.051 0.000 2.154 186 R HA -0.200 4.141 4.340 0.001 0.000 0.248 186 R C 2.113 178.453 176.300 0.067 0.000 1.155 186 R CA 1.718 57.849 56.100 0.051 0.000 0.979 186 R CB -0.198 30.114 30.300 0.020 0.000 0.869 186 R HN 0.563 nan 8.270 nan 0.000 0.452 187 E N -1.064 119.173 120.200 0.061 0.000 2.153 187 E HA -0.163 4.187 4.350 0.001 0.000 0.194 187 E C 1.430 178.072 176.600 0.069 0.000 0.988 187 E CA 1.871 58.303 56.400 0.053 0.000 0.811 187 E CB -0.273 29.450 29.700 0.038 0.000 0.746 187 E HN 0.548 nan 8.360 nan 0.000 0.466 188 T N -2.340 112.295 114.554 0.135 0.000 2.955 188 T HA 0.197 4.548 4.350 0.001 0.000 0.251 188 T C 1.863 176.692 174.700 0.216 0.000 1.002 188 T CA 0.124 62.319 62.100 0.159 0.000 0.970 188 T CB 0.277 69.322 68.868 0.295 0.000 1.091 188 T HN 0.048 nan 8.240 nan 0.000 0.495 189 R N 1.273 121.932 120.500 0.266 0.000 2.136 189 R HA -0.044 4.297 4.340 0.001 0.000 0.242 189 R C 2.105 178.504 176.300 0.164 0.000 1.131 189 R CA 1.948 58.209 56.100 0.267 0.000 0.937 189 R CB -0.811 29.632 30.300 0.238 0.000 0.863 189 R HN 0.428 nan 8.270 nan 0.000 0.435 190 L N 0.129 121.442 121.223 0.150 0.000 2.291 190 L HA -0.103 4.238 4.340 0.001 0.000 0.214 190 L C 2.728 179.606 176.870 0.013 0.000 1.120 190 L CA 0.910 55.853 54.840 0.173 0.000 0.799 190 L CB -0.373 41.838 42.059 0.252 0.000 0.925 190 L HN 0.460 nan 8.230 nan 0.000 0.446 191 Q N -0.691 119.050 119.800 -0.098 0.000 2.083 191 Q HA -0.194 4.146 4.340 0.001 0.000 0.198 191 Q C 2.191 177.946 176.000 -0.408 0.000 0.969 191 Q CA 1.596 57.228 55.803 -0.285 0.000 0.838 191 Q CB 0.007 28.562 28.738 -0.305 0.000 0.900 191 Q HN 0.431 nan 8.270 nan 0.000 0.436 192 Y N -0.411 119.660 120.300 -0.381 0.000 2.224 192 Y HA -0.226 4.325 4.550 0.001 0.000 0.289 192 Y C 2.290 177.745 175.900 -0.741 0.000 1.146 192 Y CA 0.945 58.612 58.100 -0.722 0.000 1.182 192 Y CB -0.375 37.350 38.460 -1.224 0.000 0.983 192 Y HN -0.067 nan 8.280 nan 0.000 0.524 193 V N 0.320 120.048 119.914 -0.310 0.000 2.261 193 V HA -0.331 3.790 4.120 0.001 0.000 0.246 193 V C 2.395 178.457 176.094 -0.054 0.000 1.047 193 V CA 2.270 64.511 62.300 -0.097 0.000 1.015 193 V CB -0.648 31.221 31.823 0.077 0.000 0.642 193 V HN 0.339 nan 8.190 nan 0.000 0.446 194 K N 0.079 120.290 120.400 -0.316 0.000 2.044 194 K HA -0.233 4.088 4.320 0.001 0.000 0.210 194 K C 2.335 178.779 176.600 -0.260 0.000 1.049 194 K CA 1.834 57.758 56.287 -0.606 0.000 0.927 194 K CB -0.214 31.378 32.500 -1.514 0.000 0.713 194 K HN 0.312 nan 8.250 nan 0.000 0.443 195 R N -0.788 119.550 120.500 -0.270 0.000 2.115 195 R HA -0.094 4.246 4.340 0.001 0.000 0.230 195 R C 2.291 178.539 176.300 -0.087 0.000 1.111 195 R CA 1.361 57.344 56.100 -0.196 0.000 0.976 195 R CB -0.280 29.880 30.300 -0.232 0.000 0.870 195 R HN 0.277 nan 8.270 nan 0.000 0.445 196 F N 0.267 120.123 119.950 -0.158 0.000 2.163 196 F HA -0.202 4.326 4.527 0.001 0.000 0.297 196 F C 2.229 178.020 175.800 -0.015 0.000 1.094 196 F CA 1.070 59.043 58.000 -0.045 0.000 1.290 196 F CB -0.390 38.643 39.000 0.055 0.000 1.017 196 F HN -0.048 nan 8.300 nan 0.000 0.483 197 Y N 1.436 121.774 120.300 0.063 0.000 2.114 197 Y HA -0.299 4.252 4.550 0.001 0.000 0.282 197 Y C 2.175 177.952 175.900 -0.204 0.000 1.165 197 Y CA 2.260 60.348 58.100 -0.020 0.000 1.148 197 Y CB -0.907 37.592 38.460 0.064 0.000 0.972 197 Y HN 0.068 nan 8.280 nan 0.000 0.504 198 D N 0.280 120.457 120.400 -0.372 0.000 2.123 198 D HA -0.194 4.447 4.640 0.001 0.000 0.196 198 D C 2.310 178.300 176.300 -0.517 0.000 0.992 198 D CA 1.587 55.292 54.000 -0.491 0.000 0.833 198 D CB -0.628 40.012 40.800 -0.266 0.000 0.954 198 D HN 0.524 nan 8.370 nan 0.000 0.455 199 A N 0.721 123.279 122.820 -0.436 0.000 1.898 199 A HA -0.132 4.189 4.320 0.001 0.000 0.216 199 A C 2.488 179.772 177.584 -0.499 0.000 1.181 199 A CA 2.097 53.888 52.037 -0.409 0.000 0.620 199 A CB -0.719 18.074 19.000 -0.345 0.000 0.819 199 A HN 0.236 nan 8.150 nan 0.000 0.442 200 V N -1.462 118.055 119.914 -0.661 0.000 2.488 200 V HA -0.106 4.015 4.120 0.001 0.000 0.246 200 V C 2.384 177.882 176.094 -0.994 0.000 1.046 200 V CA 2.132 64.048 62.300 -0.641 0.000 1.053 200 V CB -1.142 30.383 31.823 -0.497 0.000 0.679 200 V HN 0.652 nan 8.190 nan 0.000 0.458 201 S N 1.809 116.767 115.700 -1.236 0.000 2.461 201 S HA -0.118 4.352 4.470 0.001 0.000 0.228 201 S C 1.780 175.621 174.600 -1.265 0.000 1.005 201 S CA 1.244 58.599 58.200 -1.408 0.000 0.942 201 S CB -0.954 61.469 63.200 -1.296 0.000 0.776 201 S HN 0.872 nan 8.310 nan 0.000 0.514 202 T N -2.232 111.725 114.554 -0.996 0.000 3.186 202 T HA 0.361 4.712 4.350 0.001 0.000 0.257 202 T C 0.224 174.539 174.700 -0.642 0.000 1.029 202 T CA -0.470 61.105 62.100 -0.875 0.000 0.916 202 T CB -1.026 67.549 68.868 -0.489 0.000 1.041 202 T HN 0.299 nan 8.240 nan 0.000 0.562 203 F N -0.514 119.283 119.950 -0.256 0.000 2.953 203 F HA -0.203 4.325 4.527 0.002 0.000 0.292 203 F C 1.198 176.950 175.800 -0.079 0.000 0.747 203 F CA 0.239 58.161 58.000 -0.130 0.000 1.222 203 F CB -2.427 36.536 39.000 -0.061 0.000 1.457 203 F HN 0.260 nan 8.300 nan 0.000 0.383 204 K N 0.293 120.684 120.400 -0.015 0.000 2.148 204 K HA 0.215 4.536 4.320 0.001 0.000 0.204 204 K C 0.688 177.339 176.600 0.085 0.000 1.050 204 K CA 1.287 57.585 56.287 0.018 0.000 0.942 204 K CB 0.221 32.683 32.500 -0.064 0.000 0.724 204 K HN 0.441 nan 8.250 nan 0.000 0.446 205 I N -0.174 120.404 120.570 0.014 0.000 2.545 205 I HA 0.173 4.344 4.170 0.001 0.000 0.292 205 I C -0.742 175.393 176.117 0.029 0.000 1.040 205 I CA -0.579 60.732 61.300 0.019 0.000 1.068 205 I CB 2.394 40.347 38.000 -0.077 0.000 1.251 205 I HN -0.183 nan 8.210 nan 0.000 0.424 206 S N 5.830 121.565 115.700 0.058 0.000 2.532 206 S HA 0.795 5.265 4.470 0.001 0.000 0.301 206 S C -0.680 173.982 174.600 0.103 0.000 1.083 206 S CA -0.553 57.720 58.200 0.121 0.000 1.025 206 S CB 1.732 65.011 63.200 0.131 0.000 1.056 206 S HN 0.297 nan 8.310 nan 0.000 0.494 207 L N 2.505 123.825 121.223 0.162 0.000 2.371 207 L HA 0.549 4.890 4.340 0.001 0.000 0.262 207 L C -2.493 174.450 176.870 0.121 0.000 1.006 207 L CA -2.263 52.652 54.840 0.124 0.000 0.818 207 L CB 1.691 43.833 42.059 0.138 0.000 1.354 207 L HN 0.392 nan 8.230 nan 0.000 0.415 208 P HA 0.069 nan 4.420 nan 0.000 0.268 208 P C 0.493 177.819 177.300 0.043 0.000 1.208 208 P CA -0.099 63.049 63.100 0.080 0.000 0.777 208 P CB 0.513 32.252 31.700 0.065 0.000 0.875 209 T N 2.923 117.525 114.554 0.080 0.000 2.665 209 T HA -0.126 4.225 4.350 0.001 0.000 0.268 209 T C -0.891 173.796 174.700 -0.022 0.000 1.035 209 T CA 2.161 64.276 62.100 0.024 0.000 1.151 209 T CB -1.741 67.217 68.868 0.151 0.000 0.862 209 T HN 0.530 nan 8.240 nan 0.000 0.438 210 P HA 0.006 nan 4.420 nan 0.000 0.216 210 P C 1.422 178.849 177.300 0.210 0.000 1.150 210 P CA 0.915 64.111 63.100 0.160 0.000 0.837 210 P CB -0.152 31.671 31.700 0.205 0.000 0.786 211 I N -1.887 118.718 120.570 0.059 0.000 2.233 211 I HA -0.192 3.979 4.170 0.001 0.000 0.243 211 I C 2.251 178.291 176.117 -0.128 0.000 1.093 211 I CA 1.313 62.551 61.300 -0.105 0.000 1.380 211 I CB -0.483 37.446 38.000 -0.118 0.000 1.067 211 I HN -0.093 nan 8.210 nan 0.000 0.413 212 M N 0.130 119.596 119.600 -0.224 0.000 2.319 212 M HA -0.090 4.391 4.480 0.001 0.000 0.265 212 M C 2.481 178.562 176.300 -0.365 0.000 1.068 212 M CA 1.510 56.560 55.300 -0.416 0.000 1.118 212 M CB -1.002 30.960 32.600 -1.063 0.000 1.395 212 M HN 0.360 nan 8.290 nan 0.000 0.435 213 S N -1.077 114.484 115.700 -0.232 0.000 2.470 213 S HA 0.109 4.580 4.470 0.001 0.000 0.222 213 S C 1.828 176.479 174.600 0.085 0.000 1.024 213 S CA 0.713 58.880 58.200 -0.056 0.000 0.931 213 S CB -0.212 62.986 63.200 -0.004 0.000 0.791 213 S HN 0.438 nan 8.310 nan 0.000 0.513 214 G N 0.818 109.722 108.800 0.173 0.000 2.747 214 G HA2 0.306 4.267 3.960 0.001 0.000 0.202 214 G HA3 0.306 4.267 3.960 0.001 0.000 0.202 214 G C 0.120 175.270 174.900 0.416 0.000 1.090 214 G CA 0.009 45.336 45.100 0.378 0.000 0.779 214 G HN 0.367 nan 8.290 nan 0.000 0.535 215 V N 2.844 122.846 119.914 0.148 0.000 2.421 215 V HA 0.329 4.450 4.120 0.001 0.000 0.271 215 V C 1.147 177.268 176.094 0.044 0.000 1.031 215 V CA 1.180 63.485 62.300 0.009 0.000 1.032 215 V CB 0.034 31.675 31.823 -0.303 0.000 1.009 215 V HN 0.780 nan 8.190 nan 0.000 0.477 216 R N 2.672 123.241 120.500 0.116 0.000 1.837 216 R HA -0.112 4.229 4.340 0.001 0.000 0.350 216 R C 0.312 176.644 176.300 0.053 0.000 0.201 216 R CA 0.726 56.798 56.100 -0.045 0.000 1.435 216 R CB -1.483 28.648 30.300 -0.282 0.000 1.783 216 R HN 0.706 nan 8.270 nan 0.000 0.187 217 T N -1.435 113.238 114.554 0.199 0.000 2.912 217 T HA 0.600 4.951 4.350 0.001 0.000 0.280 217 T C -1.998 172.827 174.700 0.208 0.000 0.989 217 T CA -1.469 60.768 62.100 0.228 0.000 0.995 217 T CB 2.086 71.087 68.868 0.221 0.000 1.077 217 T HN -0.106 nan 8.240 nan 0.000 0.531 218 P HA 0.062 nan 4.420 nan 0.000 0.228 218 P C 0.699 178.024 177.300 0.040 0.000 1.151 218 P CA 0.586 63.743 63.100 0.096 0.000 0.770 218 P CB -0.161 31.574 31.700 0.058 0.000 0.786 219 T N 0.056 114.629 114.554 0.031 0.000 2.860 219 T HA 0.153 4.504 4.350 0.001 0.000 0.299 219 T C 1.022 175.583 174.700 -0.231 0.000 1.045 219 T CA -0.132 61.900 62.100 -0.115 0.000 1.071 219 T CB 0.230 69.000 68.868 -0.162 0.000 0.985 219 T HN -0.126 nan 8.240 nan 0.000 0.537 220 R N 2.114 122.334 120.500 -0.467 0.000 2.590 220 R HA 0.175 4.516 4.340 0.001 0.000 0.410 220 R C -0.260 175.481 176.300 -0.933 0.000 1.010 220 R CA -0.075 55.658 56.100 -0.612 0.000 1.155 220 R CB 0.458 30.553 30.300 -0.342 0.000 1.455 220 R HN 0.664 nan 8.270 nan 0.000 0.567 221 Q N 0.459 119.639 119.800 -1.033 0.000 2.441 221 Q HA 0.270 4.611 4.340 0.001 0.000 0.234 221 Q C -0.420 175.122 176.000 -0.764 0.000 1.078 221 Q CA 0.021 55.418 55.803 -0.677 0.000 0.907 221 Q CB 0.414 28.930 28.738 -0.369 0.000 1.269 221 Q HN 0.041 nan 8.270 nan 0.000 0.502 222 F N -1.129 118.802 119.950 -0.030 0.000 2.856 222 F HA 0.187 4.715 4.527 0.001 0.000 0.338 222 F C 0.441 176.243 175.800 0.003 0.000 1.100 222 F CA -0.481 57.517 58.000 -0.004 0.000 1.150 222 F CB 0.950 39.955 39.000 0.009 0.000 1.101 222 F HN 0.148 nan 8.300 nan 0.000 0.548 223 S N 0.790 116.562 115.700 0.121 0.000 2.448 223 S HA 0.264 4.735 4.470 0.001 0.000 0.279 223 S C 1.053 175.711 174.600 0.096 0.000 1.195 223 S CA 0.083 58.349 58.200 0.109 0.000 1.051 223 S CB 0.626 63.916 63.200 0.150 0.000 0.948 223 S HN 0.340 nan 8.310 nan 0.000 0.493 224 S N 0.654 116.391 115.700 0.061 0.000 2.666 224 S HA 0.212 4.683 4.470 0.001 0.000 0.239 224 S C 0.157 174.762 174.600 0.008 0.000 1.031 224 S CA -0.499 57.731 58.200 0.049 0.000 1.015 224 S CB 0.094 63.334 63.200 0.066 0.000 0.981 224 S HN 0.652 nan 8.310 nan 0.000 0.547 225 C N 2.003 121.283 119.300 -0.033 0.000 2.781 225 C HA 0.784 5.244 4.460 0.001 0.000 0.348 225 C C -0.616 174.303 174.990 -0.119 0.000 1.051 225 C CA -0.327 58.661 59.018 -0.049 0.000 1.347 225 C CB 0.088 27.822 27.740 -0.011 0.000 1.846 225 C HN 0.632 nan 8.230 nan 0.000 0.473 226 V N 6.247 126.056 119.914 -0.175 0.000 2.735 226 V HA 0.894 5.014 4.120 0.001 0.000 0.310 226 V C -1.657 174.340 176.094 -0.162 0.000 1.061 226 V CA -0.609 61.530 62.300 -0.267 0.000 0.913 226 V CB 1.938 33.389 31.823 -0.620 0.000 1.005 226 V HN 0.681 nan 8.190 nan 0.000 0.428 227 L N 6.410 127.548 121.223 -0.142 0.000 2.376 227 L HA 0.681 5.022 4.340 0.001 0.000 0.275 227 L C -0.447 176.363 176.870 -0.100 0.000 0.987 227 L CA -0.063 54.714 54.840 -0.105 0.000 0.828 227 L CB 1.670 43.664 42.059 -0.108 0.000 1.249 227 L HN 0.639 nan 8.230 nan 0.000 0.409 228 I N 2.009 122.525 120.570 -0.091 0.000 2.498 228 I HA 0.428 4.599 4.170 0.001 0.000 0.290 228 I C -0.335 175.731 176.117 -0.085 0.000 1.032 228 I CA -0.588 60.663 61.300 -0.083 0.000 1.073 228 I CB 2.275 40.221 38.000 -0.090 0.000 1.251 228 I HN 0.591 nan 8.210 nan 0.000 0.426 229 E N 5.306 125.467 120.200 -0.065 0.000 2.151 229 E HA 0.308 4.658 4.350 0.001 0.000 0.275 229 E C -1.419 175.164 176.600 -0.028 0.000 0.936 229 E CA -0.585 55.788 56.400 -0.045 0.000 0.777 229 E CB 1.810 31.483 29.700 -0.045 0.000 1.108 229 E HN 0.704 nan 8.360 nan 0.000 0.401 230 C N 4.378 123.672 119.300 -0.010 0.000 2.435 230 C HA 0.693 5.154 4.460 0.001 0.000 0.375 230 C C 0.823 175.846 174.990 0.055 0.000 1.281 230 C CA -0.155 58.886 59.018 0.039 0.000 1.963 230 C CB -0.594 27.209 27.740 0.105 0.000 2.490 230 C HN 0.827 nan 8.230 nan 0.000 0.557 231 G N 3.340 112.171 108.800 0.052 0.000 2.476 231 G HA2 0.289 4.250 3.960 0.001 0.000 0.286 231 G HA3 0.289 4.250 3.960 0.001 0.000 0.286 231 G C -0.222 174.710 174.900 0.053 0.000 1.177 231 G CA -0.128 44.987 45.100 0.025 0.000 0.870 231 G HN 0.817 nan 8.290 nan 0.000 0.528 232 D N -0.227 120.165 120.400 -0.013 0.000 2.767 232 D HA 0.284 4.925 4.640 0.001 0.000 0.231 232 D C 0.385 176.558 176.300 -0.212 0.000 1.105 232 D CA 0.180 54.138 54.000 -0.069 0.000 1.024 232 D CB -0.513 40.179 40.800 -0.181 0.000 1.123 232 D HN 0.458 nan 8.370 nan 0.000 0.470 233 S N -0.286 115.472 115.700 0.097 0.000 2.547 233 S HA 0.247 4.717 4.470 0.001 0.000 0.270 233 S C 0.865 175.654 174.600 0.315 0.000 1.150 233 S CA -0.915 57.387 58.200 0.169 0.000 0.850 233 S CB 0.689 63.906 63.200 0.028 0.000 1.118 233 S HN 0.074 nan 8.310 nan 0.000 0.461 234 L N 0.912 122.320 121.223 0.307 0.000 2.083 234 L HA -0.066 4.275 4.340 0.001 0.000 0.209 234 L C 1.852 178.775 176.870 0.089 0.000 1.083 234 L CA 1.441 56.345 54.840 0.106 0.000 0.752 234 L CB -0.642 41.485 42.059 0.113 0.000 0.899 234 L HN 0.698 nan 8.230 nan 0.000 0.433 235 D N -0.716 119.742 120.400 0.097 0.000 2.149 235 D HA -0.183 4.458 4.640 0.001 0.000 0.198 235 D C 2.397 178.748 176.300 0.085 0.000 0.990 235 D CA 1.451 55.498 54.000 0.080 0.000 0.839 235 D CB -0.001 40.837 40.800 0.063 0.000 0.948 235 D HN 0.101 nan 8.370 nan 0.000 0.460 236 S N -0.650 115.103 115.700 0.089 0.000 2.377 236 S HA 0.004 4.475 4.470 0.001 0.000 0.223 236 S C 2.091 176.772 174.600 0.135 0.000 1.030 236 S CA 0.149 58.404 58.200 0.092 0.000 0.970 236 S CB -0.141 63.104 63.200 0.075 0.000 0.830 236 S HN 0.141 nan 8.310 nan 0.000 0.473 237 I N 2.296 122.952 120.570 0.144 0.000 2.118 237 I HA -0.266 3.905 4.170 0.001 0.000 0.241 237 I C 2.265 178.552 176.117 0.283 0.000 1.070 237 I CA 1.279 62.709 61.300 0.217 0.000 1.327 237 I CB -0.521 37.429 38.000 -0.083 0.000 1.034 237 I HN 0.317 nan 8.210 nan 0.000 0.405 238 N N 1.023 119.835 118.700 0.187 0.000 2.084 238 N HA -0.154 4.587 4.740 0.001 0.000 0.190 238 N C 1.907 177.519 175.510 0.170 0.000 1.030 238 N CA 1.740 54.906 53.050 0.194 0.000 0.849 238 N CB -0.517 38.052 38.487 0.136 0.000 1.012 238 N HN 0.388 nan 8.380 nan 0.000 0.423 239 A N 0.591 123.490 122.820 0.130 0.000 1.883 239 A HA -0.156 4.165 4.320 0.001 0.000 0.217 239 A C 2.408 180.052 177.584 0.100 0.000 1.186 239 A CA 2.224 54.321 52.037 0.100 0.000 0.624 239 A CB -1.207 17.840 19.000 0.078 0.000 0.822 239 A HN 0.340 nan 8.150 nan 0.000 0.444 240 T N -0.480 114.141 114.554 0.111 0.000 2.652 240 T HA -0.177 4.174 4.350 0.001 0.000 0.267 240 T C 2.277 177.017 174.700 0.066 0.000 1.039 240 T CA 1.853 63.979 62.100 0.043 0.000 1.153 240 T CB -0.498 68.349 68.868 -0.035 0.000 0.863 240 T HN 0.551 nan 8.240 nan 0.000 0.428 241 S N 0.676 116.512 115.700 0.227 0.000 2.365 241 S HA -0.166 4.305 4.470 0.001 0.000 0.225 241 S C 2.357 177.022 174.600 0.108 0.000 1.039 241 S CA 1.873 60.205 58.200 0.219 0.000 1.033 241 S CB -0.560 62.803 63.200 0.272 0.000 0.887 241 S HN 0.455 nan 8.310 nan 0.000 0.447 242 S N 1.128 116.893 115.700 0.109 0.000 2.368 242 S HA 0.058 4.529 4.470 0.001 0.000 0.224 242 S C 2.220 176.855 174.600 0.059 0.000 1.029 242 S CA 1.011 59.256 58.200 0.074 0.000 0.988 242 S CB -0.649 62.594 63.200 0.072 0.000 0.838 242 S HN 0.710 nan 8.310 nan 0.000 0.462 243 A N 1.340 124.205 122.820 0.075 0.000 1.933 243 A HA -0.028 4.293 4.320 0.001 0.000 0.218 243 A C 2.041 179.715 177.584 0.149 0.000 1.175 243 A CA 1.079 53.183 52.037 0.111 0.000 0.628 243 A CB -0.670 18.407 19.000 0.129 0.000 0.814 243 A HN 0.472 nan 8.150 nan 0.000 0.444 244 I N -0.553 120.071 120.570 0.090 0.000 2.142 244 I HA -0.236 3.935 4.170 0.001 0.000 0.240 244 I C 2.390 178.555 176.117 0.081 0.000 1.078 244 I CA 1.296 62.644 61.300 0.079 0.000 1.343 244 I CB -0.406 37.607 38.000 0.023 0.000 1.046 244 I HN 0.157 nan 8.210 nan 0.000 0.405 245 V N 0.797 120.741 119.914 0.050 0.000 2.282 245 V HA -0.314 3.807 4.120 0.001 0.000 0.249 245 V C 2.578 178.678 176.094 0.010 0.000 1.057 245 V CA 1.748 64.064 62.300 0.027 0.000 1.032 245 V CB -0.730 31.103 31.823 0.018 0.000 0.645 245 V HN 0.353 nan 8.190 nan 0.000 0.447 246 K N -0.878 119.514 120.400 -0.014 0.000 2.032 246 K HA -0.188 4.133 4.320 0.001 0.000 0.209 246 K C 2.099 178.606 176.600 -0.154 0.000 1.048 246 K CA 1.923 58.145 56.287 -0.108 0.000 0.927 246 K CB -0.573 31.822 32.500 -0.175 0.000 0.712 246 K HN 0.539 nan 8.250 nan 0.000 0.441 247 Y N 0.726 121.022 120.300 -0.007 0.000 2.263 247 Y HA -0.160 4.390 4.550 0.001 0.000 0.292 247 Y C 2.269 178.162 175.900 -0.010 0.000 1.130 247 Y CA 1.033 59.127 58.100 -0.009 0.000 1.179 247 Y CB -0.550 37.907 38.460 -0.004 0.000 0.998 247 Y HN -0.077 nan 8.280 nan 0.000 0.532 248 V N -1.852 118.146 119.914 0.140 0.000 2.759 248 V HA -0.163 3.957 4.120 0.001 0.000 0.256 248 V C 2.046 178.167 176.094 0.044 0.000 1.080 248 V CA 1.718 64.067 62.300 0.082 0.000 1.101 248 V CB -1.154 30.704 31.823 0.058 0.000 0.698 248 V HN 0.449 nan 8.190 nan 0.000 0.477 249 S N 0.448 116.160 115.700 0.020 0.000 2.447 249 S HA -0.143 4.328 4.470 0.001 0.000 0.233 249 S C 1.687 176.281 174.600 -0.010 0.000 1.006 249 S CA 1.200 59.398 58.200 -0.004 0.000 0.957 249 S CB -0.612 62.572 63.200 -0.027 0.000 0.773 249 S HN 0.786 nan 8.310 nan 0.000 0.507 250 Q N 0.498 120.299 119.800 0.002 0.000 2.212 250 Q HA 0.357 4.698 4.340 0.001 0.000 0.213 250 Q C -0.264 175.761 176.000 0.041 0.000 0.874 250 Q CA -0.376 55.429 55.803 0.004 0.000 0.965 250 Q CB 0.108 28.840 28.738 -0.010 0.000 1.074 250 Q HN 0.409 nan 8.270 nan 0.000 0.473 251 R N -0.964 119.563 120.500 0.045 0.000 3.863 251 R HA -0.192 4.148 4.340 0.001 0.000 0.313 251 R C -0.330 176.007 176.300 0.062 0.000 1.202 251 R CA 0.623 56.751 56.100 0.048 0.000 0.852 251 R CB -2.188 28.135 30.300 0.038 0.000 1.292 251 R HN 0.317 nan 8.270 nan 0.000 0.519 252 A N 0.732 123.604 122.820 0.087 0.000 2.388 252 A HA 0.577 4.898 4.320 0.001 0.000 0.257 252 A C 0.961 178.572 177.584 0.045 0.000 1.095 252 A CA 0.416 52.497 52.037 0.074 0.000 0.791 252 A CB 0.689 19.753 19.000 0.106 0.000 1.029 252 A HN 0.316 nan 8.150 nan 0.000 0.489 253 G N 0.726 109.540 108.800 0.023 0.000 2.444 253 G HA2 0.516 4.476 3.960 0.001 0.000 0.268 253 G HA3 0.516 4.476 3.960 0.001 0.000 0.268 253 G C -0.308 174.587 174.900 -0.008 0.000 1.203 253 G CA -0.384 44.726 45.100 0.016 0.000 0.835 253 G HN 0.550 nan 8.290 nan 0.000 0.543 254 I N 1.071 121.640 120.570 -0.001 0.000 2.509 254 I HA 0.454 4.625 4.170 0.001 0.000 0.293 254 I C 0.549 176.679 176.117 0.021 0.000 1.020 254 I CA -0.747 60.542 61.300 -0.017 0.000 1.088 254 I CB 1.422 39.408 38.000 -0.023 0.000 1.267 254 I HN 0.542 nan 8.210 nan 0.000 0.430 255 G N 6.563 115.385 108.800 0.036 0.000 2.370 255 G HA2 0.708 4.668 3.960 0.001 0.000 0.317 255 G HA3 0.708 4.668 3.960 0.001 0.000 0.317 255 G C -0.663 174.293 174.900 0.093 0.000 1.162 255 G CA -0.354 44.842 45.100 0.159 0.000 0.922 255 G HN 0.481 nan 8.290 nan 0.000 0.454 256 I N 2.338 122.986 120.570 0.130 0.000 2.362 256 I HA 0.215 4.385 4.170 0.001 0.000 0.289 256 I C -0.468 175.743 176.117 0.156 0.000 0.994 256 I CA -1.016 60.283 61.300 -0.002 0.000 1.158 256 I CB 1.933 39.814 38.000 -0.198 0.000 1.315 256 I HN 0.313 nan 8.210 nan 0.000 0.451 257 N N 5.374 124.125 118.700 0.085 0.000 2.426 257 N HA 0.509 5.250 4.740 0.001 0.000 0.257 257 N C -0.125 175.469 175.510 0.139 0.000 1.002 257 N CA -0.256 52.896 53.050 0.170 0.000 0.942 257 N CB 1.765 40.304 38.487 0.087 0.000 1.112 257 N HN 0.750 nan 8.380 nan 0.000 0.499 258 A N 2.178 125.135 122.820 0.228 0.000 2.635 258 A HA 0.337 4.658 4.320 0.001 0.000 0.279 258 A C 1.347 179.145 177.584 0.357 0.000 1.122 258 A CA 0.057 52.259 52.037 0.275 0.000 0.965 258 A CB -0.192 18.968 19.000 0.268 0.000 1.221 258 A HN 0.624 nan 8.150 nan 0.000 0.566 259 G N -0.207 108.825 108.800 0.386 0.000 2.679 259 G HA2 -0.083 3.878 3.960 0.001 0.000 0.212 259 G HA3 -0.083 3.878 3.960 0.001 0.000 0.212 259 G C 1.318 176.426 174.900 0.347 0.000 1.137 259 G CA 0.747 46.107 45.100 0.434 0.000 0.787 259 G HN 0.425 nan 8.290 nan 0.000 0.534 260 R N -0.312 120.271 120.500 0.137 0.000 2.246 260 R HA 0.263 4.604 4.340 0.001 0.000 0.199 260 R C 0.874 177.228 176.300 0.090 0.000 0.984 260 R CA -0.217 55.821 56.100 -0.103 0.000 1.015 260 R CB -0.148 30.010 30.300 -0.237 0.000 0.930 260 R HN 0.273 nan 8.270 nan 0.000 0.475 261 I N 3.732 124.450 120.570 0.247 0.000 2.598 261 I HA -0.016 4.155 4.170 0.001 0.000 0.284 261 I C 0.477 176.816 176.117 0.370 0.000 1.140 261 I CA -0.033 61.465 61.300 0.330 0.000 1.420 261 I CB 0.499 38.730 38.000 0.385 0.000 1.387 261 I HN 0.232 nan 8.210 nan 0.000 0.553 262 R N 5.936 126.605 120.500 0.281 0.000 2.679 262 R HA 0.484 4.825 4.340 0.001 0.000 0.268 262 R C -0.116 176.336 176.300 0.253 0.000 1.044 262 R CA -0.619 55.593 56.100 0.188 0.000 1.105 262 R CB 0.401 30.732 30.300 0.052 0.000 0.989 262 R HN 0.621 nan 8.270 nan 0.000 0.447 263 A N 3.283 126.189 122.820 0.144 0.000 2.366 263 A HA 0.209 4.530 4.320 0.001 0.000 0.249 263 A C 0.048 177.695 177.584 0.104 0.000 1.084 263 A CA -0.746 51.384 52.037 0.155 0.000 0.794 263 A CB 0.288 19.316 19.000 0.046 0.000 1.034 263 A HN 0.765 nan 8.150 nan 0.000 0.491 264 L N 1.474 122.744 121.223 0.079 0.000 2.615 264 L HA 0.352 4.693 4.340 0.001 0.000 0.284 264 L C 1.302 178.192 176.870 0.034 0.000 1.237 264 L CA 2.317 57.187 54.840 0.050 0.000 0.905 264 L CB -0.142 41.925 42.059 0.014 0.000 1.149 264 L HN 1.719 nan 8.230 nan 0.000 0.499 265 G N 2.159 110.983 108.800 0.040 0.000 2.234 265 G HA2 -0.264 3.697 3.960 0.001 0.000 0.235 265 G HA3 -0.264 3.697 3.960 0.001 0.000 0.235 265 G C 0.489 175.328 174.900 -0.101 0.000 0.997 265 G CA 0.159 45.272 45.100 0.022 0.000 0.623 265 G HN 0.903 nan 8.290 nan 0.000 0.514 266 S N 3.376 119.002 115.700 -0.124 0.000 2.552 266 S HA 0.432 4.903 4.470 0.001 0.000 0.289 266 S C -1.622 172.750 174.600 -0.380 0.000 1.304 266 S CA -0.255 57.844 58.200 -0.168 0.000 1.063 266 S CB 0.848 64.002 63.200 -0.077 0.000 0.848 266 S HN 0.391 nan 8.310 nan 0.000 0.499 267 P HA -0.121 nan 4.420 nan 0.000 0.270 267 P C -0.067 177.123 177.300 -0.182 0.000 1.167 267 P CA 0.055 63.042 63.100 -0.187 0.000 0.759 267 P CB 0.196 31.845 31.700 -0.087 0.000 0.777 268 I N 2.900 123.488 120.570 0.031 0.000 2.471 268 I HA -0.001 4.170 4.170 0.001 0.000 0.294 268 I C 1.005 177.176 176.117 0.090 0.000 1.123 268 I CA -0.260 61.153 61.300 0.189 0.000 1.336 268 I CB -0.337 37.842 38.000 0.299 0.000 1.430 268 I HN 0.086 nan 8.210 nan 0.000 0.533 269 R N 7.109 127.657 120.500 0.079 0.000 4.113 269 R HA 0.193 4.533 4.340 0.001 0.000 0.179 269 R C 1.092 177.422 176.300 0.050 0.000 1.781 269 R CA 0.276 56.393 56.100 0.027 0.000 1.402 269 R CB -1.423 28.858 30.300 -0.032 0.000 1.375 269 R HN 0.823 nan 8.270 nan 0.000 0.786 270 G N 0.914 109.742 108.800 0.046 0.000 2.471 270 G HA2 -0.216 3.745 3.960 0.001 0.000 0.301 270 G HA3 -0.216 3.745 3.960 0.001 0.000 0.301 270 G C 0.734 175.664 174.900 0.051 0.000 0.902 270 G CA 0.903 46.028 45.100 0.042 0.000 1.002 270 G HN 1.004 nan 8.290 nan 0.000 0.509 271 G N -1.552 107.292 108.800 0.073 0.000 4.241 271 G HA2 -0.076 3.885 3.960 0.001 0.000 0.193 271 G HA3 -0.076 3.885 3.960 0.001 0.000 0.193 271 G C 0.393 175.360 174.900 0.111 0.000 1.789 271 G CA 0.319 45.465 45.100 0.077 0.000 1.025 271 G HN 0.658 nan 8.290 nan 0.000 0.346 272 E N 0.283 120.575 120.200 0.153 0.000 2.718 272 E HA 0.493 4.844 4.350 0.001 0.000 0.263 272 E C 0.258 177.022 176.600 0.274 0.000 1.434 272 E CA 0.236 56.778 56.400 0.237 0.000 1.106 272 E CB 0.601 30.520 29.700 0.364 0.000 1.029 272 E HN 0.900 nan 8.360 nan 0.000 0.631 273 A N 0.808 123.818 122.820 0.316 0.000 3.308 273 A HA 0.297 4.618 4.320 0.001 0.000 0.275 273 A C -0.426 177.307 177.584 0.248 0.000 0.950 273 A CA -0.512 51.678 52.037 0.254 0.000 0.987 273 A CB -0.515 18.557 19.000 0.120 0.000 1.146 273 A HN 0.497 nan 8.150 nan 0.000 0.488 274 F N -0.432 119.643 119.950 0.209 0.000 2.731 274 F HA 0.087 4.615 4.527 0.002 0.000 0.304 274 F C 2.023 177.895 175.800 0.119 0.000 1.133 274 F CA 0.247 58.368 58.000 0.203 0.000 1.380 274 F CB 0.017 39.079 39.000 0.104 0.000 1.079 274 F HN 0.585 nan 8.300 nan 0.000 0.550 275 H N 0.041 119.236 119.070 0.209 0.000 2.387 275 H HA -0.135 4.422 4.556 0.001 0.000 0.299 275 H C 2.302 177.668 175.328 0.064 0.000 1.099 275 H CA 2.176 58.290 56.048 0.110 0.000 1.315 275 H CB -0.135 29.667 29.762 0.066 0.000 1.380 275 H HN 0.285 nan 8.280 nan 0.000 0.513 276 T N -2.231 112.416 114.554 0.156 0.000 3.088 276 T HA 0.321 4.672 4.350 0.001 0.000 0.259 276 T C 1.111 175.794 174.700 -0.029 0.000 1.122 276 T CA 0.540 62.651 62.100 0.018 0.000 1.095 276 T CB 0.403 69.221 68.868 -0.083 0.000 0.930 276 T HN 0.624 nan 8.240 nan 0.000 0.508 277 G N -0.533 108.294 108.800 0.045 0.000 2.498 277 G HA2 -0.134 3.827 3.960 0.001 0.000 0.651 277 G HA3 -0.134 3.827 3.960 0.001 0.000 0.651 277 G C 0.584 175.524 174.900 0.067 0.000 1.284 277 G CA -0.540 44.588 45.100 0.047 0.000 0.950 277 G HN 0.240 nan 8.290 nan 0.000 0.511 278 C N -0.257 119.034 119.300 -0.015 0.000 2.457 278 C HA 0.125 4.586 4.460 0.001 0.000 0.278 278 C C 3.037 177.842 174.990 -0.307 0.000 1.309 278 C CA 1.415 60.371 59.018 -0.102 0.000 1.735 278 C CB -1.556 25.938 27.740 -0.410 0.000 1.992 278 C HN 0.516 nan 8.230 nan 0.000 0.493 279 I N 1.623 121.955 120.570 -0.398 0.000 2.163 279 I HA -0.153 4.018 4.170 0.001 0.000 0.243 279 I C -0.575 175.431 176.117 -0.185 0.000 1.085 279 I CA 1.736 62.823 61.300 -0.354 0.000 1.347 279 I CB -1.651 36.179 38.000 -0.282 0.000 1.044 279 I HN 0.216 nan 8.210 nan 0.000 0.408 280 P HA -0.142 nan 4.420 nan 0.000 0.219 280 P C 1.435 178.510 177.300 -0.374 0.000 1.146 280 P CA 1.484 64.372 63.100 -0.353 0.000 0.808 280 P CB -0.068 31.310 31.700 -0.537 0.000 0.779 281 F N -2.788 117.077 119.950 -0.142 0.000 2.234 281 F HA -0.086 4.443 4.527 0.002 0.000 0.296 281 F C 2.213 177.839 175.800 -0.289 0.000 1.089 281 F CA 0.910 58.753 58.000 -0.261 0.000 1.343 281 F CB -1.519 37.303 39.000 -0.298 0.000 1.040 281 F HN -0.124 nan 8.300 nan 0.000 0.498 282 Y N 0.929 121.199 120.300 -0.050 0.000 2.151 282 Y HA -0.233 4.317 4.550 0.001 0.000 0.284 282 Y C 2.331 178.292 175.900 0.102 0.000 1.166 282 Y CA 0.931 59.096 58.100 0.108 0.000 1.163 282 Y CB -1.154 37.414 38.460 0.179 0.000 0.974 282 Y HN 0.035 nan 8.280 nan 0.000 0.511 283 K N -1.249 119.275 120.400 0.208 0.000 2.103 283 K HA -0.242 4.079 4.320 0.001 0.000 0.207 283 K C 1.976 178.664 176.600 0.147 0.000 1.048 283 K CA 1.660 58.034 56.287 0.146 0.000 0.930 283 K CB -0.303 32.236 32.500 0.065 0.000 0.716 283 K HN 0.306 nan 8.250 nan 0.000 0.444 284 H N -0.454 118.602 119.070 -0.025 0.000 2.395 284 H HA -0.062 4.494 4.556 0.001 0.000 0.299 284 H C 1.445 176.830 175.328 0.093 0.000 1.070 284 H CA 1.443 57.478 56.048 -0.022 0.000 1.356 284 H CB 0.031 29.741 29.762 -0.087 0.000 1.401 284 H HN 0.059 nan 8.280 nan 0.000 0.524 285 F N 0.628 120.655 119.950 0.128 0.000 2.186 285 F HA -0.112 4.415 4.527 0.001 0.000 0.299 285 F C 2.761 178.564 175.800 0.006 0.000 1.090 285 F CA 1.341 59.357 58.000 0.027 0.000 1.307 285 F CB -1.038 37.989 39.000 0.045 0.000 1.019 285 F HN 0.318 nan 8.300 nan 0.000 0.489 286 Q N 0.515 120.449 119.800 0.225 0.000 2.030 286 Q HA -0.215 4.125 4.340 0.001 0.000 0.204 286 Q C 2.194 178.251 176.000 0.096 0.000 0.986 286 Q CA 2.912 58.806 55.803 0.153 0.000 0.843 286 Q CB -0.302 28.541 28.738 0.175 0.000 0.904 286 Q HN 0.483 nan 8.270 nan 0.000 0.420 287 T N -1.865 112.732 114.554 0.072 0.000 2.881 287 T HA -0.013 4.337 4.350 0.001 0.000 0.270 287 T C 1.798 176.497 174.700 -0.000 0.000 1.068 287 T CA 1.018 63.138 62.100 0.034 0.000 1.131 287 T CB -0.413 68.481 68.868 0.043 0.000 0.871 287 T HN 0.389 nan 8.240 nan 0.000 0.479 288 A N 1.160 123.965 122.820 -0.026 0.000 1.873 288 A HA 0.107 4.428 4.320 0.001 0.000 0.215 288 A C 2.604 180.201 177.584 0.022 0.000 1.186 288 A CA 1.441 53.466 52.037 -0.021 0.000 0.616 288 A CB -1.013 17.983 19.000 -0.008 0.000 0.823 288 A HN 0.414 nan 8.150 nan 0.000 0.442 289 V N -0.363 119.577 119.914 0.043 0.000 2.515 289 V HA -0.135 3.986 4.120 0.001 0.000 0.250 289 V C 2.175 178.288 176.094 0.032 0.000 1.058 289 V CA 2.150 64.474 62.300 0.040 0.000 1.064 289 V CB -0.450 31.400 31.823 0.045 0.000 0.675 289 V HN 0.357 nan 8.190 nan 0.000 0.461 290 K N 0.409 120.826 120.400 0.028 0.000 2.374 290 K HA 0.098 4.418 4.320 0.001 0.000 0.196 290 K C 2.081 178.685 176.600 0.007 0.000 1.023 290 K CA 0.707 57.002 56.287 0.013 0.000 1.103 290 K CB -0.247 32.255 32.500 0.004 0.000 0.848 290 K HN 0.610 nan 8.250 nan 0.000 0.528 291 S N -1.304 114.402 115.700 0.010 0.000 2.469 291 S HA -0.140 4.331 4.470 0.001 0.000 0.238 291 S C 1.307 175.911 174.600 0.006 0.000 0.998 291 S CA 0.790 58.995 58.200 0.007 0.000 0.957 291 S CB -0.447 62.758 63.200 0.007 0.000 0.764 291 S HN 0.231 nan 8.310 nan 0.000 0.514 292 C N 2.226 121.531 119.300 0.007 0.000 2.741 292 C HA 0.566 5.027 4.460 0.001 0.000 0.267 292 C C 0.388 175.381 174.990 0.005 0.000 1.549 292 C CA -0.921 58.100 59.018 0.005 0.000 1.772 292 C CB -1.396 26.348 27.740 0.006 0.000 2.962 292 C HN 0.400 nan 8.230 nan 0.000 0.514 293 S N 0.484 116.185 115.700 0.001 0.000 2.454 293 S HA 0.227 4.698 4.470 0.001 0.000 0.306 293 S C 0.866 175.462 174.600 -0.006 0.000 1.100 293 S CA -0.389 57.810 58.200 -0.002 0.000 1.087 293 S CB 1.614 64.811 63.200 -0.006 0.000 1.019 293 S HN 0.615 nan 8.310 nan 0.000 0.480 294 Q N 2.714 122.512 119.800 -0.003 0.000 2.146 294 Q HA -0.268 4.073 4.340 0.001 0.000 0.217 294 Q C 1.051 177.047 176.000 -0.007 0.000 1.023 294 Q CA 2.300 58.101 55.803 -0.003 0.000 0.903 294 Q CB -0.335 28.402 28.738 -0.001 0.000 0.990 294 Q HN 0.943 nan 8.270 nan 0.000 0.413 295 G N -3.008 105.784 108.800 -0.013 0.000 4.530 295 G HA2 0.414 4.375 3.960 0.001 0.000 0.284 295 G HA3 0.414 4.375 3.960 0.001 0.000 0.284 295 G C 0.445 175.328 174.900 -0.030 0.000 1.008 295 G CA 0.370 45.461 45.100 -0.016 0.000 0.770 295 G HN 0.654 nan 8.290 nan 0.000 0.424 296 G N -0.883 107.896 108.800 -0.036 0.000 2.194 296 G HA2 -0.233 3.728 3.960 0.001 0.000 0.236 296 G HA3 -0.233 3.728 3.960 0.001 0.000 0.236 296 G C 1.128 175.966 174.900 -0.104 0.000 0.987 296 G CA 0.845 45.908 45.100 -0.061 0.000 0.635 296 G HN 1.320 nan 8.290 nan 0.000 0.520 297 V N -2.449 117.417 119.914 -0.080 0.000 2.988 297 V HA 0.517 4.638 4.120 0.001 0.000 0.223 297 V C 1.244 177.320 176.094 -0.030 0.000 1.144 297 V CA 0.489 62.738 62.300 -0.085 0.000 1.242 297 V CB -0.534 31.252 31.823 -0.063 0.000 1.073 297 V HN 0.223 nan 8.190 nan 0.000 0.508 298 R N 2.211 122.704 120.500 -0.011 0.000 2.316 298 R HA 0.532 4.873 4.340 0.001 0.000 0.314 298 R C 0.355 176.660 176.300 0.008 0.000 1.069 298 R CA 0.880 56.984 56.100 0.006 0.000 0.959 298 R CB 0.093 30.399 30.300 0.009 0.000 0.987 298 R HN 1.054 nan 8.270 nan 0.000 0.446 299 G N 0.932 109.742 108.800 0.016 0.000 2.650 299 G HA2 0.244 4.205 3.960 0.001 0.000 0.686 299 G HA3 0.244 4.205 3.960 0.001 0.000 0.686 299 G C -0.138 174.775 174.900 0.021 0.000 1.205 299 G CA -0.584 44.527 45.100 0.020 0.000 0.781 299 G HN 0.946 nan 8.290 nan 0.000 0.648 300 G N -1.060 107.756 108.800 0.027 0.000 3.421 300 G HA2 0.552 4.513 3.960 0.001 0.000 0.656 300 G HA3 0.552 4.513 3.960 0.001 0.000 0.656 300 G C 0.168 175.089 174.900 0.034 0.000 1.007 300 G CA 0.871 45.989 45.100 0.030 0.000 0.811 300 G HN 2.780 nan 8.290 nan 0.000 0.433 301 A N 1.474 124.314 122.820 0.033 0.000 2.455 301 A HA 1.182 5.503 4.320 0.001 0.000 0.300 301 A C 0.127 177.723 177.584 0.020 0.000 1.040 301 A CA 0.233 52.290 52.037 0.032 0.000 0.697 301 A CB 1.782 20.805 19.000 0.037 0.000 1.265 301 A HN 2.689 nan 8.150 nan 0.000 0.407 302 A N 1.013 123.835 122.820 0.003 0.000 2.572 302 A HA 0.884 5.205 4.320 0.001 0.000 0.295 302 A C -0.530 177.010 177.584 -0.073 0.000 1.072 302 A CA -0.467 51.557 52.037 -0.022 0.000 0.691 302 A CB 1.435 20.414 19.000 -0.035 0.000 1.291 302 A HN 0.933 nan 8.150 nan 0.000 0.404 303 T N 1.659 116.174 114.554 -0.064 0.000 2.807 303 T HA 0.583 4.934 4.350 0.001 0.000 0.279 303 T C -0.753 173.788 174.700 -0.265 0.000 0.993 303 T CA -0.202 61.786 62.100 -0.187 0.000 0.970 303 T CB 1.043 69.866 68.868 -0.075 0.000 0.950 303 T HN 0.635 nan 8.240 nan 0.000 0.441 304 L N 3.600 124.554 121.223 -0.449 0.000 2.329 304 L HA 0.746 5.087 4.340 0.001 0.000 0.279 304 L C -1.578 175.136 176.870 -0.260 0.000 1.014 304 L CA -0.825 53.873 54.840 -0.235 0.000 0.814 304 L CB 0.780 42.719 42.059 -0.199 0.000 1.257 304 L HN 0.534 nan 8.230 nan 0.000 0.424 305 F N 4.430 124.430 119.950 0.083 0.000 2.469 305 F HA 0.599 5.128 4.527 0.003 0.000 0.332 305 F C -0.507 175.415 175.800 0.203 0.000 1.103 305 F CA -0.441 57.603 58.000 0.072 0.000 0.979 305 F CB 1.528 40.577 39.000 0.081 0.000 1.137 305 F HN 0.378 nan 8.300 nan 0.000 0.463 306 Y N 0.647 121.147 120.300 0.334 0.000 2.609 306 Y HA 0.772 5.322 4.550 0.001 0.000 0.336 306 Y C -3.470 172.520 175.900 0.150 0.000 1.129 306 Y CA -3.792 54.451 58.100 0.237 0.000 1.040 306 Y CB 0.827 39.363 38.460 0.127 0.000 1.310 306 Y HN 0.222 nan 8.280 nan 0.000 0.460 307 P HA 0.212 nan 4.420 nan 0.000 0.278 307 P C 0.669 177.860 177.300 -0.181 0.000 1.238 307 P CA -0.554 62.422 63.100 -0.206 0.000 0.794 307 P CB 1.204 32.242 31.700 -1.104 0.000 0.955 308 M N 2.827 122.344 119.600 -0.138 0.000 2.267 308 M HA -0.085 4.396 4.480 0.001 0.000 0.263 308 M C 0.687 177.006 176.300 0.032 0.000 1.063 308 M CA 1.777 57.059 55.300 -0.030 0.000 1.090 308 M CB -0.266 32.290 32.600 -0.073 0.000 1.392 308 M HN 0.457 nan 8.290 nan 0.000 0.422 309 W N -0.813 120.510 121.300 0.040 0.000 3.353 309 W HA 0.182 4.843 4.660 0.002 0.000 0.304 309 W C 0.076 176.680 176.519 0.143 0.000 1.273 309 W CA -0.539 56.859 57.345 0.088 0.000 1.773 309 W CB -1.506 28.039 29.460 0.142 0.000 1.095 309 W HN 0.097 nan 8.180 nan 0.000 0.676 310 H N 2.458 121.458 119.070 -0.117 0.000 2.964 310 H HA -0.071 4.486 4.556 0.002 0.000 0.328 310 H C 1.178 176.530 175.328 0.040 0.000 1.030 310 H CA 0.559 56.575 56.048 -0.054 0.000 1.445 310 H CB 1.690 31.375 29.762 -0.127 0.000 1.449 310 H HN 0.043 nan 8.280 nan 0.000 0.581 311 L N 4.700 125.900 121.223 -0.039 0.000 2.129 311 L HA -0.192 4.149 4.340 0.001 0.000 0.212 311 L C 1.605 178.520 176.870 0.075 0.000 1.087 311 L CA 1.871 56.723 54.840 0.020 0.000 0.757 311 L CB -0.283 41.756 42.059 -0.034 0.000 0.896 311 L HN 0.714 nan 8.230 nan 0.000 0.434 312 E N -1.719 118.611 120.200 0.216 0.000 2.463 312 E HA -0.027 4.324 4.350 0.001 0.000 0.193 312 E C 2.049 178.596 176.600 -0.088 0.000 1.041 312 E CA 0.258 56.683 56.400 0.042 0.000 0.879 312 E CB 0.185 29.879 29.700 -0.011 0.000 0.997 312 E HN 0.353 nan 8.360 nan 0.000 0.478 313 V N 1.591 121.480 119.914 -0.043 0.000 2.439 313 V HA -0.340 3.781 4.120 0.001 0.000 0.253 313 V C 1.815 177.840 176.094 -0.116 0.000 1.074 313 V CA 2.113 64.345 62.300 -0.113 0.000 1.076 313 V CB -0.105 31.731 31.823 0.022 0.000 0.664 313 V HN 0.285 nan 8.190 nan 0.000 0.461 314 E N -0.528 119.624 120.200 -0.079 0.000 2.106 314 E HA -0.137 4.214 4.350 0.001 0.000 0.192 314 E C 2.347 178.883 176.600 -0.106 0.000 0.984 314 E CA 1.399 57.755 56.400 -0.074 0.000 0.806 314 E CB -0.152 29.518 29.700 -0.050 0.000 0.750 314 E HN 0.637 nan 8.360 nan 0.000 0.458 315 S N 0.906 116.525 115.700 -0.135 0.000 2.387 315 S HA -0.053 4.418 4.470 0.001 0.000 0.226 315 S C 2.015 176.475 174.600 -0.235 0.000 1.026 315 S CA 0.630 58.731 58.200 -0.165 0.000 0.972 315 S CB -0.069 63.031 63.200 -0.168 0.000 0.814 315 S HN 0.183 nan 8.310 nan 0.000 0.477 316 L N 0.763 121.789 121.223 -0.328 0.000 2.056 316 L HA -0.045 4.296 4.340 0.001 0.000 0.207 316 L C 2.122 178.797 176.870 -0.325 0.000 1.078 316 L CA 0.605 55.161 54.840 -0.473 0.000 0.749 316 L CB -0.645 40.868 42.059 -0.910 0.000 0.901 316 L HN 0.263 nan 8.230 nan 0.000 0.433 317 L N 0.241 121.362 121.223 -0.169 0.000 2.189 317 L HA -0.143 4.198 4.340 0.001 0.000 0.214 317 L C 2.135 178.941 176.870 -0.106 0.000 1.097 317 L CA 1.649 56.448 54.840 -0.069 0.000 0.764 317 L CB -0.783 41.255 42.059 -0.035 0.000 0.900 317 L HN 0.281 nan 8.230 nan 0.000 0.436 318 V N -5.084 114.752 119.914 -0.129 0.000 3.342 318 V HA 0.130 4.251 4.120 0.001 0.000 0.322 318 V C 1.860 177.888 176.094 -0.110 0.000 1.370 318 V CA 0.029 62.269 62.300 -0.100 0.000 1.170 318 V CB -0.440 31.336 31.823 -0.077 0.000 1.101 318 V HN 0.212 nan 8.190 nan 0.000 0.442 319 L N -0.212 120.907 121.223 -0.174 0.000 2.131 319 L HA -0.059 4.282 4.340 0.001 0.000 0.210 319 L C 2.561 179.417 176.870 -0.024 0.000 1.092 319 L CA 1.720 56.480 54.840 -0.133 0.000 0.759 319 L CB -0.420 41.484 42.059 -0.259 0.000 0.903 319 L HN 0.321 nan 8.230 nan 0.000 0.435 320 K N -0.725 119.674 120.400 -0.003 0.000 2.400 320 K HA 0.012 4.333 4.320 0.001 0.000 0.194 320 K C 0.683 177.273 176.600 -0.017 0.000 1.033 320 K CA -0.280 56.021 56.287 0.023 0.000 1.021 320 K CB 0.008 32.544 32.500 0.061 0.000 0.808 320 K HN 0.213 nan 8.250 nan 0.000 0.505 321 N N 1.812 120.496 118.700 -0.026 0.000 2.412 321 N HA -0.063 4.678 4.740 0.001 0.000 0.254 321 N C 0.170 175.666 175.510 -0.023 0.000 1.232 321 N CA 0.449 53.483 53.050 -0.026 0.000 0.880 321 N CB 0.585 39.052 38.487 -0.033 0.000 1.076 321 N HN 0.176 nan 8.380 nan 0.000 0.458 322 N N 1.901 120.591 118.700 -0.017 0.000 2.062 322 N HA -0.116 4.625 4.740 0.001 0.000 0.191 322 N C 0.024 175.528 175.510 -0.009 0.000 1.042 322 N CA 0.854 53.897 53.050 -0.011 0.000 0.845 322 N CB 0.057 38.542 38.487 -0.003 0.000 1.024 322 N HN 0.620 nan 8.380 nan 0.000 0.424 323 R N 0.604 121.098 120.500 -0.010 0.000 2.594 323 R HA 0.536 4.877 4.340 0.001 0.000 0.272 323 R C 0.140 176.430 176.300 -0.016 0.000 1.074 323 R CA -0.015 56.079 56.100 -0.010 0.000 1.105 323 R CB 0.604 30.898 30.300 -0.010 0.000 1.008 323 R HN 0.168 nan 8.270 nan 0.000 0.472 324 G N 0.096 108.887 108.800 -0.015 0.000 2.340 324 G HA2 0.007 3.967 3.960 0.001 0.000 0.527 324 G HA3 0.007 3.967 3.960 0.001 0.000 0.527 324 G C -1.367 173.523 174.900 -0.017 0.000 1.381 324 G CA -0.524 44.564 45.100 -0.020 0.000 1.001 324 G HN 0.600 nan 8.290 nan 0.000 0.626 325 V N 1.130 121.032 119.914 -0.021 0.000 2.637 325 V HA 0.333 4.454 4.120 0.001 0.000 0.296 325 V C 1.658 177.741 176.094 -0.018 0.000 1.046 325 V CA 0.463 62.752 62.300 -0.019 0.000 1.066 325 V CB 1.348 33.156 31.823 -0.024 0.000 0.968 325 V HN 0.799 nan 8.190 nan 0.000 0.483 326 E N 4.341 124.535 120.200 -0.010 0.000 2.219 326 E HA -0.149 4.202 4.350 0.001 0.000 0.198 326 E C 1.963 178.558 176.600 -0.009 0.000 0.998 326 E CA 1.453 57.852 56.400 -0.001 0.000 0.818 326 E CB -0.390 29.314 29.700 0.007 0.000 0.741 326 E HN 0.942 nan 8.360 nan 0.000 0.477 327 G N 0.532 109.318 108.800 -0.023 0.000 2.534 327 G HA2 -0.202 3.759 3.960 0.001 0.000 0.217 327 G HA3 -0.202 3.759 3.960 0.001 0.000 0.217 327 G C 1.265 176.135 174.900 -0.050 0.000 1.128 327 G CA 0.175 45.252 45.100 -0.038 0.000 0.784 327 G HN 0.290 nan 8.290 nan 0.000 0.542 328 N N -0.299 118.374 118.700 -0.046 0.000 2.270 328 N HA 0.117 4.857 4.740 0.001 0.000 0.198 328 N C -0.114 175.364 175.510 -0.054 0.000 1.117 328 N CA -0.230 52.783 53.050 -0.062 0.000 0.845 328 N CB 0.444 38.895 38.487 -0.060 0.000 0.980 328 N HN -0.028 nan 8.380 nan 0.000 0.486 329 R N 0.850 121.335 120.500 -0.026 0.000 2.621 329 R HA 0.438 4.779 4.340 0.001 0.000 0.292 329 R C -1.043 175.280 176.300 0.039 0.000 0.969 329 R CA -0.640 55.456 56.100 -0.006 0.000 0.887 329 R CB 2.075 32.371 30.300 -0.006 0.000 1.180 329 R HN -0.244 nan 8.270 nan 0.000 0.450 330 V N 4.113 124.074 119.914 0.079 0.000 2.465 330 V HA 0.332 4.453 4.120 0.001 0.000 0.263 330 V C 1.018 177.216 176.094 0.172 0.000 0.981 330 V CA -0.435 61.967 62.300 0.170 0.000 0.838 330 V CB 1.162 33.159 31.823 0.289 0.000 1.068 330 V HN 0.668 nan 8.190 nan 0.000 0.458 331 R N 0.282 120.788 120.500 0.010 0.000 2.246 331 R HA 0.160 4.501 4.340 0.001 0.000 0.199 331 R C 0.832 176.942 176.300 -0.317 0.000 0.984 331 R CA 0.497 56.485 56.100 -0.188 0.000 1.015 331 R CB 0.223 30.299 30.300 -0.374 0.000 0.930 331 R HN 0.687 nan 8.270 nan 0.000 0.475 332 H N -0.641 118.484 119.070 0.090 0.000 2.488 332 H HA 0.302 4.858 4.556 0.000 0.000 0.294 332 H C 0.006 175.340 175.328 0.009 0.000 1.088 332 H CA 0.195 56.273 56.048 0.050 0.000 1.086 332 H CB 0.248 30.038 29.762 0.048 0.000 1.569 332 H HN 0.030 nan 8.280 nan 0.000 0.548 333 M N 0.541 120.140 119.600 -0.001 0.000 2.572 333 M HA 0.245 4.726 4.480 0.001 0.000 0.299 333 M C -0.667 175.392 176.300 -0.401 0.000 1.205 333 M CA -0.863 54.323 55.300 -0.190 0.000 0.876 333 M CB 2.684 35.113 32.600 -0.284 0.000 1.728 333 M HN -0.052 nan 8.290 nan 0.000 0.458 334 D N 0.369 120.530 120.400 -0.398 0.000 2.432 334 D HA 0.526 5.166 4.640 0.001 0.000 0.258 334 D C -1.400 174.409 176.300 -0.818 0.000 1.146 334 D CA 0.274 54.020 54.000 -0.423 0.000 1.015 334 D CB 0.915 41.657 40.800 -0.097 0.000 1.107 334 D HN 0.329 nan 8.370 nan 0.000 0.529 335 Y N -1.397 118.738 120.300 -0.274 0.000 2.524 335 Y HA 0.524 5.074 4.550 0.001 0.000 0.347 335 Y C 0.584 176.247 175.900 -0.396 0.000 1.005 335 Y CA -1.150 56.772 58.100 -0.297 0.000 1.025 335 Y CB 2.461 40.867 38.460 -0.090 0.000 1.275 335 Y HN 0.331 nan 8.280 nan 0.000 0.460 336 G N 1.434 109.948 108.800 -0.476 0.000 2.502 336 G HA2 0.543 4.504 3.960 0.001 0.000 0.311 336 G HA3 0.543 4.504 3.960 0.001 0.000 0.311 336 G C -1.468 173.249 174.900 -0.305 0.000 1.270 336 G CA -0.669 44.242 45.100 -0.315 0.000 0.948 336 G HN 0.439 nan 8.290 nan 0.000 0.487 337 V N 2.676 122.457 119.914 -0.221 0.000 2.498 337 V HA 0.255 4.376 4.120 0.001 0.000 0.279 337 V C 0.228 176.307 176.094 -0.025 0.000 1.048 337 V CA -0.453 61.682 62.300 -0.275 0.000 0.967 337 V CB 1.125 32.840 31.823 -0.181 0.000 0.988 337 V HN 0.735 nan 8.190 nan 0.000 0.473 338 Q N 4.672 124.490 119.800 0.030 0.000 2.278 338 Q HA 0.697 5.038 4.340 0.001 0.000 0.257 338 Q C -0.937 175.165 176.000 0.171 0.000 0.928 338 Q CA -0.187 55.707 55.803 0.152 0.000 0.932 338 Q CB 1.960 30.868 28.738 0.283 0.000 1.221 338 Q HN 0.659 nan 8.270 nan 0.000 0.434 339 I N 2.033 122.643 120.570 0.067 0.000 2.730 339 I HA 0.448 4.619 4.170 0.001 0.000 0.298 339 I C -0.527 175.531 176.117 -0.097 0.000 1.089 339 I CA -1.098 60.198 61.300 -0.006 0.000 1.041 339 I CB 1.996 39.887 38.000 -0.181 0.000 1.235 339 I HN 0.661 nan 8.210 nan 0.000 0.423 340 N N 3.490 122.115 118.700 -0.125 0.000 2.761 340 N HA 0.321 5.062 4.740 0.001 0.000 0.283 340 N C 0.159 175.637 175.510 -0.053 0.000 1.377 340 N CA -1.018 51.936 53.050 -0.159 0.000 0.791 340 N CB 1.176 39.408 38.487 -0.426 0.000 1.540 340 N HN 0.547 nan 8.380 nan 0.000 0.539 341 K N -0.449 119.932 120.400 -0.031 0.000 2.103 341 K HA -0.050 4.271 4.320 0.001 0.000 0.207 341 K C 1.668 178.273 176.600 0.007 0.000 1.048 341 K CA 1.085 57.352 56.287 -0.033 0.000 0.930 341 K CB -0.242 32.301 32.500 0.073 0.000 0.716 341 K HN 0.545 nan 8.250 nan 0.000 0.444 342 L N 0.574 121.806 121.223 0.014 0.000 2.046 342 L HA -0.194 4.146 4.340 0.001 0.000 0.208 342 L C 2.312 179.208 176.870 0.043 0.000 1.077 342 L CA 1.031 55.902 54.840 0.051 0.000 0.747 342 L CB -0.139 41.984 42.059 0.107 0.000 0.896 342 L HN 0.281 nan 8.230 nan 0.000 0.432 343 M N -1.167 118.439 119.600 0.010 0.000 2.117 343 M HA -0.241 4.240 4.480 0.001 0.000 0.262 343 M C 2.340 178.690 176.300 0.082 0.000 1.065 343 M CA 1.844 57.174 55.300 0.050 0.000 1.114 343 M CB -1.312 31.281 32.600 -0.012 0.000 1.361 343 M HN 0.259 nan 8.290 nan 0.000 0.408 344 Y N 0.941 121.264 120.300 0.039 0.000 2.181 344 Y HA -0.159 4.392 4.550 0.001 0.000 0.288 344 Y C 2.791 178.592 175.900 -0.164 0.000 1.146 344 Y CA 1.693 59.702 58.100 -0.152 0.000 1.164 344 Y CB -1.492 36.758 38.460 -0.349 0.000 0.982 344 Y HN 0.282 nan 8.280 nan 0.000 0.515 345 T N 0.225 114.811 114.554 0.054 0.000 2.684 345 T HA -0.181 4.170 4.350 0.001 0.000 0.267 345 T C 2.013 176.727 174.700 0.023 0.000 1.036 345 T CA 1.385 63.500 62.100 0.026 0.000 1.148 345 T CB -0.134 68.757 68.868 0.039 0.000 0.863 345 T HN 0.196 nan 8.240 nan 0.000 0.436 346 R N 0.774 121.306 120.500 0.053 0.000 2.105 346 R HA -0.002 4.338 4.340 0.001 0.000 0.239 346 R C 2.387 178.701 176.300 0.024 0.000 1.135 346 R CA 0.829 56.970 56.100 0.067 0.000 0.967 346 R CB -1.315 29.060 30.300 0.125 0.000 0.861 346 R HN 0.350 nan 8.270 nan 0.000 0.442 347 L N 1.151 122.347 121.223 -0.046 0.000 1.970 347 L HA -0.139 4.202 4.340 0.001 0.000 0.212 347 L C 2.258 179.057 176.870 -0.119 0.000 1.071 347 L CA 1.664 56.397 54.840 -0.178 0.000 0.751 347 L CB -0.653 41.032 42.059 -0.623 0.000 0.889 347 L HN 0.069 nan 8.230 nan 0.000 0.432 348 L N -0.520 120.642 121.223 -0.101 0.000 2.042 348 L HA -0.250 4.091 4.340 0.001 0.000 0.210 348 L C 2.264 179.115 176.870 -0.032 0.000 1.076 348 L CA 1.571 56.373 54.840 -0.063 0.000 0.749 348 L CB -0.686 41.343 42.059 -0.049 0.000 0.893 348 L HN 0.277 nan 8.230 nan 0.000 0.432 349 K N 0.275 120.666 120.400 -0.015 0.000 2.522 349 K HA 0.063 4.384 4.320 0.001 0.000 0.194 349 K C 1.085 177.687 176.600 0.004 0.000 1.026 349 K CA 0.492 56.779 56.287 -0.000 0.000 1.119 349 K CB -0.060 32.448 32.500 0.012 0.000 0.856 349 K HN 0.434 nan 8.250 nan 0.000 0.513 350 G N 2.255 111.053 108.800 -0.003 0.000 2.296 350 G HA2 -0.310 3.651 3.960 0.001 0.000 0.282 350 G HA3 -0.310 3.651 3.960 0.001 0.000 0.282 350 G C -0.132 174.780 174.900 0.020 0.000 1.014 350 G CA 0.744 45.847 45.100 0.005 0.000 0.812 350 G HN 0.453 nan 8.290 nan 0.000 0.508 351 E N -0.491 119.727 120.200 0.031 0.000 2.790 351 E HA 0.460 4.811 4.350 0.001 0.000 0.256 351 E C -0.314 176.321 176.600 0.059 0.000 1.246 351 E CA -0.854 55.572 56.400 0.043 0.000 1.041 351 E CB 0.492 30.222 29.700 0.050 0.000 1.272 351 E HN 0.185 nan 8.360 nan 0.000 0.603 352 D N 0.031 120.469 120.400 0.063 0.000 2.277 352 D HA 0.389 5.030 4.640 0.001 0.000 0.250 352 D C -0.642 175.724 176.300 0.111 0.000 1.032 352 D CA -0.226 53.815 54.000 0.069 0.000 0.947 352 D CB 0.969 41.791 40.800 0.037 0.000 1.159 352 D HN 0.180 nan 8.370 nan 0.000 0.460 353 I N 0.725 121.367 120.570 0.119 0.000 2.404 353 I HA 0.184 4.355 4.170 0.001 0.000 0.293 353 I C -0.022 176.160 176.117 0.108 0.000 0.992 353 I CA -0.432 60.974 61.300 0.177 0.000 1.149 353 I CB 1.813 39.927 38.000 0.191 0.000 1.315 353 I HN 0.060 nan 8.210 nan 0.000 0.446 354 T N 7.109 121.736 114.554 0.122 0.000 2.767 354 T HA 0.487 4.838 4.350 0.001 0.000 0.288 354 T C -0.068 174.508 174.700 -0.208 0.000 0.963 354 T CA -0.458 61.526 62.100 -0.192 0.000 1.019 354 T CB 0.523 69.088 68.868 -0.506 0.000 0.923 354 T HN 0.253 nan 8.240 nan 0.000 0.468 355 L N 3.936 124.995 121.223 -0.272 0.000 2.312 355 L HA 0.619 4.960 4.340 0.001 0.000 0.281 355 L C -0.747 175.913 176.870 -0.349 0.000 1.070 355 L CA -0.626 54.151 54.840 -0.106 0.000 0.805 355 L CB 0.503 42.549 42.059 -0.023 0.000 1.174 355 L HN 0.538 nan 8.230 nan 0.000 0.434 356 F N 0.007 120.105 119.950 0.247 0.000 2.588 356 F HA 0.332 4.860 4.527 0.002 0.000 0.314 356 F C 0.416 176.271 175.800 0.092 0.000 1.069 356 F CA -0.706 57.379 58.000 0.141 0.000 0.931 356 F CB 2.107 41.180 39.000 0.122 0.000 1.260 356 F HN 0.293 nan 8.300 nan 0.000 0.465 357 S N 2.322 118.130 115.700 0.180 0.000 2.528 357 S HA 0.260 4.731 4.470 0.001 0.000 0.277 357 S C -1.770 172.904 174.600 0.123 0.000 1.297 357 S CA -1.280 56.914 58.200 -0.010 0.000 1.052 357 S CB 0.961 64.146 63.200 -0.025 0.000 0.917 357 S HN 0.343 nan 8.310 nan 0.000 0.492 358 P HA -0.089 nan 4.420 nan 0.000 0.221 358 P C 1.207 178.564 177.300 0.095 0.000 1.145 358 P CA 0.980 64.234 63.100 0.257 0.000 0.795 358 P CB -0.040 31.781 31.700 0.202 0.000 0.775 359 S N -2.284 113.424 115.700 0.014 0.000 2.527 359 S HA -0.016 4.454 4.470 0.001 0.000 0.222 359 S C 1.246 175.799 174.600 -0.078 0.000 0.985 359 S CA 0.631 58.804 58.200 -0.045 0.000 0.921 359 S CB -0.581 62.575 63.200 -0.072 0.000 0.772 359 S HN 0.062 nan 8.310 nan 0.000 0.529 360 D N 1.473 121.819 120.400 -0.090 0.000 2.369 360 D HA 0.151 4.792 4.640 0.001 0.000 0.211 360 D C 0.265 176.342 176.300 -0.372 0.000 1.077 360 D CA 0.324 54.223 54.000 -0.168 0.000 0.842 360 D CB 1.206 41.945 40.800 -0.103 0.000 0.947 360 D HN 0.482 nan 8.370 nan 0.000 0.509 361 V N -0.660 119.023 119.914 -0.385 0.000 2.315 361 V HA 0.449 4.570 4.120 0.001 0.000 0.265 361 V C -2.911 172.998 176.094 -0.307 0.000 1.019 361 V CA -2.298 59.560 62.300 -0.736 0.000 0.824 361 V CB 0.977 32.312 31.823 -0.814 0.000 1.072 361 V HN -0.280 nan 8.190 nan 0.000 0.448 362 P HA 0.285 nan 4.420 nan 0.000 0.261 362 P C 1.299 178.682 177.300 0.138 0.000 1.183 362 P CA 1.980 65.085 63.100 0.007 0.000 0.761 362 P CB 0.849 32.560 31.700 0.017 0.000 0.785 363 G N 2.682 111.570 108.800 0.147 0.000 2.267 363 G HA2 -0.329 3.632 3.960 0.001 0.000 0.257 363 G HA3 -0.329 3.632 3.960 0.001 0.000 0.257 363 G C 0.899 175.936 174.900 0.228 0.000 0.998 363 G CA 0.200 45.406 45.100 0.177 0.000 0.620 363 G HN 0.527 nan 8.290 nan 0.000 0.529 364 L N -0.698 120.659 121.223 0.224 0.000 2.027 364 L HA -0.010 4.331 4.340 0.001 0.000 0.206 364 L C 2.420 179.550 176.870 0.432 0.000 1.074 364 L CA 2.688 57.632 54.840 0.173 0.000 0.745 364 L CB -0.522 41.490 42.059 -0.079 0.000 0.898 364 L HN 0.480 nan 8.230 nan 0.000 0.433 365 Y N 1.132 121.710 120.300 0.463 0.000 2.097 365 Y HA -0.332 4.218 4.550 0.001 0.000 0.282 365 Y C 2.380 178.693 175.900 0.689 0.000 1.152 365 Y CA 2.144 60.660 58.100 0.694 0.000 1.136 365 Y CB -0.167 38.634 38.460 0.569 0.000 0.975 365 Y HN 0.284 nan 8.280 nan 0.000 0.498 366 D N -0.064 120.713 120.400 0.628 0.000 2.104 366 D HA -0.209 4.432 4.640 0.001 0.000 0.194 366 D C 2.254 178.797 176.300 0.405 0.000 0.994 366 D CA 1.640 55.928 54.000 0.480 0.000 0.830 366 D CB -0.659 40.339 40.800 0.329 0.000 0.959 366 D HN 0.479 nan 8.370 nan 0.000 0.452 367 A N 0.234 123.274 122.820 0.367 0.000 1.969 367 A HA -0.155 4.166 4.320 0.001 0.000 0.218 367 A C 2.034 179.814 177.584 0.327 0.000 1.169 367 A CA 0.717 52.945 52.037 0.318 0.000 0.635 367 A CB -0.930 18.245 19.000 0.291 0.000 0.810 367 A HN 0.206 nan 8.150 nan 0.000 0.445 368 F N 0.103 120.159 119.950 0.176 0.000 2.115 368 F HA -0.245 4.283 4.527 0.001 0.000 0.300 368 F C 1.685 177.176 175.800 -0.515 0.000 1.092 368 F CA 1.778 59.569 58.000 -0.349 0.000 1.245 368 F CB -0.490 38.288 39.000 -0.370 0.000 0.995 368 F HN 0.268 nan 8.300 nan 0.000 0.481 369 F N -0.964 118.934 119.950 -0.087 0.000 2.317 369 F HA 0.223 4.750 4.527 0.001 0.000 0.290 369 F C 2.395 178.145 175.800 -0.084 0.000 1.075 369 F CA 0.818 58.712 58.000 -0.177 0.000 1.380 369 F CB -1.189 37.741 39.000 -0.116 0.000 1.093 369 F HN -0.052 nan 8.300 nan 0.000 0.524 370 A N -1.565 121.359 122.820 0.175 0.000 1.997 370 A HA 0.072 4.393 4.320 0.001 0.000 0.212 370 A C -0.072 177.561 177.584 0.081 0.000 1.178 370 A CA 1.164 53.275 52.037 0.123 0.000 0.698 370 A CB -0.017 19.065 19.000 0.136 0.000 0.842 370 A HN 0.233 nan 8.150 nan 0.000 0.458 371 D N -1.513 118.938 120.400 0.085 0.000 2.312 371 D HA 0.170 4.811 4.640 0.001 0.000 0.229 371 D C 0.263 176.626 176.300 0.105 0.000 1.337 371 D CA -0.328 53.720 54.000 0.080 0.000 0.964 371 D CB 0.595 41.445 40.800 0.084 0.000 1.456 371 D HN -0.058 nan 8.370 nan 0.000 0.547 372 Q N 1.372 121.215 119.800 0.071 0.000 2.291 372 Q HA -0.061 4.280 4.340 0.001 0.000 0.205 372 Q C 1.094 177.180 176.000 0.145 0.000 0.970 372 Q CA 0.935 56.797 55.803 0.098 0.000 0.876 372 Q CB 0.381 29.139 28.738 0.033 0.000 0.935 372 Q HN 0.602 nan 8.270 nan 0.000 0.455 373 E N 0.710 120.967 120.200 0.094 0.000 2.046 373 E HA -0.165 4.186 4.350 0.001 0.000 0.190 373 E C 1.877 178.515 176.600 0.064 0.000 0.982 373 E CA 0.858 57.300 56.400 0.070 0.000 0.800 373 E CB 0.014 29.739 29.700 0.041 0.000 0.756 373 E HN 0.337 nan 8.360 nan 0.000 0.449 374 E N 0.488 120.730 120.200 0.071 0.000 2.153 374 E HA -0.159 4.192 4.350 0.001 0.000 0.194 374 E C 1.823 178.454 176.600 0.053 0.000 0.988 374 E CA 0.622 57.050 56.400 0.047 0.000 0.811 374 E CB -0.407 29.330 29.700 0.062 0.000 0.746 374 E HN 0.183 nan 8.360 nan 0.000 0.466 375 F N 1.179 121.132 119.950 0.004 0.000 2.134 375 F HA -0.118 4.410 4.527 0.001 0.000 0.299 375 F C 2.207 178.002 175.800 -0.008 0.000 1.097 375 F CA 2.076 60.077 58.000 0.002 0.000 1.264 375 F CB -0.216 38.799 39.000 0.026 0.000 1.001 375 F HN 0.109 nan 8.300 nan 0.000 0.479 376 E N 0.021 120.276 120.200 0.091 0.000 2.077 376 E HA -0.250 4.101 4.350 0.001 0.000 0.193 376 E C 2.520 179.071 176.600 -0.081 0.000 0.989 376 E CA 1.174 57.592 56.400 0.030 0.000 0.800 376 E CB -0.242 29.510 29.700 0.088 0.000 0.746 376 E HN 0.366 nan 8.360 nan 0.000 0.452 377 R N 0.232 120.675 120.500 -0.095 0.000 2.082 377 R HA -0.149 4.192 4.340 0.001 0.000 0.234 377 R C 2.498 178.628 176.300 -0.282 0.000 1.136 377 R CA 1.626 57.639 56.100 -0.145 0.000 0.935 377 R CB -0.361 29.873 30.300 -0.110 0.000 0.842 377 R HN 0.240 nan 8.270 nan 0.000 0.430 378 L N -0.450 120.556 121.223 -0.362 0.000 2.083 378 L HA -0.216 4.124 4.340 0.001 0.000 0.209 378 L C 2.440 178.848 176.870 -0.770 0.000 1.083 378 L CA 1.285 55.735 54.840 -0.651 0.000 0.752 378 L CB -0.594 41.186 42.059 -0.465 0.000 0.899 378 L HN 0.299 nan 8.230 nan 0.000 0.433 379 Y N 1.220 121.089 120.300 -0.719 0.000 2.114 379 Y HA -0.290 4.261 4.550 0.001 0.000 0.284 379 Y C 2.982 178.696 175.900 -0.310 0.000 1.143 379 Y CA 2.155 59.880 58.100 -0.626 0.000 1.135 379 Y CB -0.480 37.472 38.460 -0.847 0.000 0.980 379 Y HN 0.287 nan 8.280 nan 0.000 0.499 380 T N -1.866 112.565 114.554 -0.206 0.000 2.867 380 T HA -0.171 4.180 4.350 0.001 0.000 0.268 380 T C 1.937 176.517 174.700 -0.199 0.000 1.057 380 T CA 1.445 63.449 62.100 -0.161 0.000 1.136 380 T CB -0.415 68.413 68.868 -0.066 0.000 0.874 380 T HN 0.292 nan 8.240 nan 0.000 0.466 381 K N 0.034 120.257 120.400 -0.296 0.000 2.009 381 K HA -0.163 4.157 4.320 0.001 0.000 0.210 381 K C 2.046 178.514 176.600 -0.219 0.000 1.049 381 K CA 1.581 57.684 56.287 -0.307 0.000 0.929 381 K CB -0.356 31.855 32.500 -0.481 0.000 0.714 381 K HN 0.364 nan 8.250 nan 0.000 0.440 382 Y N 1.422 121.566 120.300 -0.260 0.000 2.352 382 Y HA -0.068 4.483 4.550 0.001 0.000 0.292 382 Y C 1.945 177.809 175.900 -0.060 0.000 1.136 382 Y CA 0.871 58.798 58.100 -0.288 0.000 1.227 382 Y CB -0.373 37.658 38.460 -0.715 0.000 0.991 382 Y HN 0.244 nan 8.280 nan 0.000 0.545 383 E N -0.157 120.084 120.200 0.068 0.000 2.153 383 E HA -0.207 4.144 4.350 0.001 0.000 0.194 383 E C 1.828 178.435 176.600 0.011 0.000 0.988 383 E CA 1.143 57.563 56.400 0.034 0.000 0.811 383 E CB 0.010 29.631 29.700 -0.131 0.000 0.746 383 E HN 0.206 nan 8.360 nan 0.000 0.466 384 K N 0.821 121.217 120.400 -0.008 0.000 2.137 384 K HA -0.021 4.300 4.320 0.001 0.000 0.202 384 K C 0.360 176.966 176.600 0.011 0.000 1.052 384 K CA 0.316 56.597 56.287 -0.010 0.000 0.961 384 K CB -0.052 32.429 32.500 -0.031 0.000 0.741 384 K HN -0.053 nan 8.250 nan 0.000 0.452 385 D N 1.799 122.220 120.400 0.035 0.000 2.368 385 D HA -0.076 4.565 4.640 0.001 0.000 0.268 385 D C -0.247 176.076 176.300 0.039 0.000 1.298 385 D CA 0.097 54.123 54.000 0.042 0.000 0.938 385 D CB 0.528 41.373 40.800 0.075 0.000 1.101 385 D HN 0.202 nan 8.370 nan 0.000 0.509 386 D N 0.562 120.974 120.400 0.019 0.000 2.336 386 D HA -0.105 4.535 4.640 0.001 0.000 0.229 386 D C 1.340 177.645 176.300 0.009 0.000 1.061 386 D CA 0.220 54.227 54.000 0.013 0.000 0.875 386 D CB -0.059 40.743 40.800 0.003 0.000 0.904 386 D HN 0.192 nan 8.370 nan 0.000 0.525 387 S N -0.369 115.336 115.700 0.008 0.000 2.528 387 S HA 0.109 4.580 4.470 0.001 0.000 0.219 387 S C 0.752 175.349 174.600 -0.006 0.000 0.985 387 S CA -0.508 57.691 58.200 -0.001 0.000 0.914 387 S CB -0.387 62.809 63.200 -0.007 0.000 0.776 387 S HN 0.221 nan 8.310 nan 0.000 0.526 388 I N 2.472 123.046 120.570 0.005 0.000 2.365 388 I HA 0.318 4.489 4.170 0.001 0.000 0.291 388 I C 0.642 176.789 176.117 0.051 0.000 1.004 388 I CA -0.747 60.555 61.300 0.004 0.000 1.311 388 I CB 1.076 39.060 38.000 -0.028 0.000 1.401 388 I HN 0.135 nan 8.210 nan 0.000 0.491 389 R N 7.438 127.961 120.500 0.038 0.000 2.489 389 R HA 0.215 4.556 4.340 0.001 0.000 0.287 389 R C -0.602 175.738 176.300 0.068 0.000 1.053 389 R CA 0.198 56.319 56.100 0.035 0.000 1.036 389 R CB 0.453 30.761 30.300 0.013 0.000 0.966 389 R HN 0.743 nan 8.270 nan 0.000 0.432 390 K N 2.218 122.604 120.400 -0.024 0.000 2.571 390 K HA 0.309 4.630 4.320 0.001 0.000 0.289 390 K C -1.563 174.937 176.600 -0.167 0.000 1.028 390 K CA -1.107 55.072 56.287 -0.179 0.000 0.895 390 K CB 1.698 34.017 32.500 -0.301 0.000 1.534 390 K HN 0.366 nan 8.250 nan 0.000 0.421 391 Q N 1.098 120.757 119.800 -0.234 0.000 2.284 391 Q HA 0.308 4.648 4.340 0.001 0.000 0.269 391 Q C -1.407 174.504 176.000 -0.149 0.000 1.026 391 Q CA -0.691 55.026 55.803 -0.143 0.000 0.831 391 Q CB 2.304 30.986 28.738 -0.093 0.000 1.322 391 Q HN 0.583 nan 8.270 nan 0.000 0.419 392 R N 1.205 121.646 120.500 -0.098 0.000 2.368 392 R HA 0.585 4.926 4.340 0.001 0.000 0.302 392 R C 0.010 176.291 176.300 -0.031 0.000 1.002 392 R CA -0.415 55.644 56.100 -0.068 0.000 0.929 392 R CB 1.108 31.376 30.300 -0.052 0.000 1.073 392 R HN 0.453 nan 8.270 nan 0.000 0.464 393 V N -1.164 118.746 119.914 -0.005 0.000 2.925 393 V HA 0.485 4.605 4.120 0.001 0.000 0.311 393 V C -0.178 175.940 176.094 0.040 0.000 1.104 393 V CA -1.403 60.906 62.300 0.015 0.000 0.954 393 V CB 2.278 34.112 31.823 0.019 0.000 1.022 393 V HN 0.543 nan 8.190 nan 0.000 0.427 394 K N 2.107 122.532 120.400 0.042 0.000 2.412 394 K HA 0.456 4.777 4.320 0.001 0.000 0.281 394 K C 1.375 178.033 176.600 0.097 0.000 1.027 394 K CA 0.423 56.745 56.287 0.058 0.000 0.989 394 K CB 1.456 33.982 32.500 0.043 0.000 0.935 394 K HN 0.949 nan 8.250 nan 0.000 0.475 395 A N 3.504 126.400 122.820 0.127 0.000 1.940 395 A HA -0.169 4.152 4.320 0.001 0.000 0.219 395 A C 2.061 179.811 177.584 0.277 0.000 1.176 395 A CA 2.028 54.203 52.037 0.230 0.000 0.631 395 A CB -0.746 18.376 19.000 0.203 0.000 0.814 395 A HN 0.659 nan 8.150 nan 0.000 0.446 396 V N -2.212 117.785 119.914 0.138 0.000 2.490 396 V HA -0.239 3.882 4.120 0.001 0.000 0.250 396 V C 1.901 178.073 176.094 0.129 0.000 1.061 396 V CA 2.368 64.735 62.300 0.112 0.000 1.064 396 V CB -0.989 30.862 31.823 0.047 0.000 0.670 396 V HN 0.599 nan 8.190 nan 0.000 0.461 397 E N 0.184 120.445 120.200 0.102 0.000 2.072 397 E HA -0.079 4.272 4.350 0.001 0.000 0.190 397 E C 2.061 178.706 176.600 0.075 0.000 0.982 397 E CA 1.241 57.684 56.400 0.071 0.000 0.803 397 E CB -0.213 29.513 29.700 0.043 0.000 0.755 397 E HN 0.500 nan 8.360 nan 0.000 0.453 398 L N 0.155 121.432 121.223 0.090 0.000 2.017 398 L HA -0.147 4.193 4.340 0.001 0.000 0.208 398 L C 1.895 178.761 176.870 -0.007 0.000 1.073 398 L CA 1.687 56.544 54.840 0.028 0.000 0.745 398 L CB -0.491 41.571 42.059 0.004 0.000 0.894 398 L HN 0.075 nan 8.230 nan 0.000 0.432 399 F N -0.813 119.142 119.950 0.008 0.000 2.134 399 F HA -0.213 4.315 4.527 0.001 0.000 0.299 399 F C 2.617 178.422 175.800 0.009 0.000 1.097 399 F CA 1.651 59.657 58.000 0.009 0.000 1.264 399 F CB -0.710 38.299 39.000 0.015 0.000 1.001 399 F HN 0.022 nan 8.300 nan 0.000 0.479 400 S N 0.311 116.123 115.700 0.187 0.000 2.359 400 S HA -0.209 4.262 4.470 0.001 0.000 0.224 400 S C 1.950 176.576 174.600 0.043 0.000 1.035 400 S CA 1.292 59.547 58.200 0.091 0.000 1.018 400 S CB -0.662 62.574 63.200 0.060 0.000 0.876 400 S HN 0.234 nan 8.310 nan 0.000 0.448 401 L N 1.755 122.994 121.223 0.027 0.000 1.989 401 L HA -0.045 4.296 4.340 0.001 0.000 0.211 401 L C 2.281 179.144 176.870 -0.012 0.000 1.071 401 L CA 1.900 56.739 54.840 -0.002 0.000 0.749 401 L CB -0.706 41.346 42.059 -0.012 0.000 0.890 401 L HN 0.357 nan 8.230 nan 0.000 0.431 402 M N -1.713 117.875 119.600 -0.020 0.000 2.065 402 M HA -0.280 4.201 4.480 0.001 0.000 0.259 402 M C 2.060 178.360 176.300 -0.000 0.000 1.069 402 M CA 2.045 57.329 55.300 -0.028 0.000 1.110 402 M CB -0.065 32.485 32.600 -0.083 0.000 1.328 402 M HN 0.290 nan 8.290 nan 0.000 0.405 403 M N -0.085 119.533 119.600 0.031 0.000 2.229 403 M HA -0.194 4.287 4.480 0.001 0.000 0.264 403 M C 2.130 178.421 176.300 -0.015 0.000 1.063 403 M CA 1.654 56.973 55.300 0.031 0.000 1.114 403 M CB -1.625 31.012 32.600 0.061 0.000 1.387 403 M HN 0.536 nan 8.290 nan 0.000 0.420 404 Q N 0.381 120.170 119.800 -0.018 0.000 2.079 404 Q HA -0.171 4.169 4.340 0.001 0.000 0.200 404 Q C 1.591 177.569 176.000 -0.036 0.000 0.974 404 Q CA 1.256 57.038 55.803 -0.036 0.000 0.840 404 Q CB 0.132 28.854 28.738 -0.028 0.000 0.898 404 Q HN 0.368 nan 8.270 nan 0.000 0.430 405 E N 0.758 120.940 120.200 -0.030 0.000 2.107 405 E HA -0.174 4.177 4.350 0.001 0.000 0.191 405 E C 1.989 178.567 176.600 -0.037 0.000 0.982 405 E CA 0.885 57.266 56.400 -0.033 0.000 0.809 405 E CB -0.261 29.419 29.700 -0.033 0.000 0.756 405 E HN 0.397 nan 8.360 nan 0.000 0.459 406 R N 0.896 121.376 120.500 -0.033 0.000 2.091 406 R HA -0.146 4.195 4.340 0.001 0.000 0.238 406 R C 2.175 178.448 176.300 -0.046 0.000 1.136 406 R CA 1.659 57.737 56.100 -0.035 0.000 0.959 406 R CB -0.178 30.126 30.300 0.006 0.000 0.856 406 R HN 0.130 nan 8.270 nan 0.000 0.437 407 A N 0.044 122.835 122.820 -0.049 0.000 1.873 407 A HA -0.093 4.228 4.320 0.001 0.000 0.215 407 A C 2.208 179.763 177.584 -0.049 0.000 1.186 407 A CA 1.724 53.723 52.037 -0.063 0.000 0.616 407 A CB -0.552 18.390 19.000 -0.097 0.000 0.823 407 A HN 0.457 nan 8.150 nan 0.000 0.442 408 S N -0.324 115.353 115.700 -0.039 0.000 2.359 408 S HA -0.167 4.304 4.470 0.001 0.000 0.224 408 S C 2.115 176.708 174.600 -0.010 0.000 1.035 408 S CA 2.159 60.345 58.200 -0.024 0.000 1.018 408 S CB -0.548 62.639 63.200 -0.022 0.000 0.876 408 S HN 0.904 nan 8.310 nan 0.000 0.448 409 T N -2.748 111.796 114.554 -0.016 0.000 3.015 409 T HA 0.432 4.783 4.350 0.001 0.000 0.250 409 T C 1.629 176.337 174.700 0.014 0.000 1.057 409 T CA 0.959 63.063 62.100 0.007 0.000 1.066 409 T CB 0.103 68.971 68.868 -0.001 0.000 0.959 409 T HN 0.601 nan 8.240 nan 0.000 0.488 410 G N 2.412 111.172 108.800 -0.067 0.000 2.189 410 G HA2 -0.272 3.689 3.960 0.001 0.000 0.267 410 G HA3 -0.272 3.689 3.960 0.001 0.000 0.267 410 G C 0.813 175.663 174.900 -0.083 0.000 0.975 410 G CA 0.335 45.310 45.100 -0.209 0.000 0.644 410 G HN 0.572 nan 8.290 nan 0.000 0.537 411 R N -0.357 120.087 120.500 -0.093 0.000 2.662 411 R HA 0.367 4.707 4.340 0.001 0.000 0.396 411 R C 0.076 175.982 176.300 -0.657 0.000 1.096 411 R CA -0.276 55.626 56.100 -0.330 0.000 1.081 411 R CB 0.451 30.691 30.300 -0.100 0.000 1.382 411 R HN 0.360 nan 8.270 nan 0.000 0.580 412 I N 2.112 122.436 120.570 -0.410 0.000 2.328 412 I HA 0.290 4.460 4.170 0.001 0.000 0.287 412 I C -0.092 175.892 176.117 -0.221 0.000 1.012 412 I CA -1.319 59.799 61.300 -0.303 0.000 1.195 412 I CB 0.163 38.106 38.000 -0.096 0.000 1.350 412 I HN -0.051 nan 8.210 nan 0.000 0.464 413 Y N 6.355 126.673 120.300 0.030 0.000 2.545 413 Y HA 0.639 5.190 4.550 0.002 0.000 0.324 413 Y C 0.204 176.136 175.900 0.054 0.000 1.220 413 Y CA -1.404 56.727 58.100 0.052 0.000 1.290 413 Y CB 0.931 39.420 38.460 0.048 0.000 1.355 413 Y HN 0.288 nan 8.280 nan 0.000 0.516 414 I N 0.661 121.414 120.570 0.305 0.000 2.533 414 I HA 0.315 4.486 4.170 0.001 0.000 0.290 414 I C -0.866 175.408 176.117 0.262 0.000 1.056 414 I CA -0.588 60.855 61.300 0.238 0.000 1.057 414 I CB 2.088 40.239 38.000 0.252 0.000 1.240 414 I HN 0.497 nan 8.210 nan 0.000 0.423 415 Q N 5.365 125.311 119.800 0.244 0.000 2.310 415 Q HA 0.435 4.776 4.340 0.001 0.000 0.270 415 Q C -1.323 174.781 176.000 0.175 0.000 1.025 415 Q CA -0.765 55.173 55.803 0.225 0.000 0.772 415 Q CB 1.323 30.209 28.738 0.247 0.000 1.253 415 Q HN 0.513 nan 8.270 nan 0.000 0.450 416 N N 4.295 123.109 118.700 0.191 0.000 2.555 416 N HA 0.036 4.777 4.740 0.001 0.000 0.244 416 N C 1.073 176.594 175.510 0.019 0.000 1.114 416 N CA 0.113 53.257 53.050 0.158 0.000 0.963 416 N CB 1.423 40.067 38.487 0.262 0.000 1.276 416 N HN 0.559 nan 8.380 nan 0.000 0.510 417 V N -0.314 119.519 119.914 -0.135 0.000 2.626 417 V HA -0.205 3.916 4.120 0.001 0.000 0.252 417 V C 1.621 177.593 176.094 -0.203 0.000 1.067 417 V CA 1.459 63.635 62.300 -0.206 0.000 1.081 417 V CB -0.401 31.111 31.823 -0.519 0.000 0.686 417 V HN 0.373 nan 8.190 nan 0.000 0.468 418 D N 0.283 120.529 120.400 -0.257 0.000 2.084 418 D HA -0.265 4.376 4.640 0.001 0.000 0.194 418 D C 1.965 178.263 176.300 -0.004 0.000 0.990 418 D CA 2.215 56.120 54.000 -0.158 0.000 0.826 418 D CB -1.001 39.706 40.800 -0.156 0.000 0.971 418 D HN 0.518 nan 8.370 nan 0.000 0.453 419 H N -0.063 119.003 119.070 -0.007 0.000 2.422 419 H HA -0.004 4.553 4.556 0.001 0.000 0.298 419 H C 2.269 177.614 175.328 0.029 0.000 1.098 419 H CA 0.762 56.800 56.048 -0.018 0.000 1.315 419 H CB -0.880 28.842 29.762 -0.066 0.000 1.382 419 H HN 0.307 nan 8.280 nan 0.000 0.523 420 C N 0.609 119.994 119.300 0.142 0.000 2.437 420 C HA -0.000 4.460 4.460 0.001 0.000 0.283 420 C C 2.114 177.157 174.990 0.088 0.000 1.424 420 C CA 0.453 59.532 59.018 0.101 0.000 1.782 420 C CB -0.475 27.312 27.740 0.078 0.000 1.833 420 C HN 0.591 nan 8.230 nan 0.000 0.532 421 N N -0.325 118.423 118.700 0.080 0.000 2.317 421 N HA -0.033 4.708 4.740 0.001 0.000 0.199 421 N C 1.758 177.306 175.510 0.062 0.000 1.145 421 N CA 1.252 54.345 53.050 0.072 0.000 0.882 421 N CB -0.057 38.468 38.487 0.064 0.000 1.113 421 N HN 0.644 nan 8.380 nan 0.000 0.486 422 T N -2.296 112.304 114.554 0.077 0.000 3.054 422 T HA -0.019 4.332 4.350 0.001 0.000 0.259 422 T C 0.558 175.313 174.700 0.093 0.000 1.092 422 T CA 0.865 63.005 62.100 0.067 0.000 1.121 422 T CB -0.118 68.789 68.868 0.065 0.000 0.912 422 T HN 0.071 nan 8.240 nan 0.000 0.489 423 H N 0.819 119.877 119.070 -0.021 0.000 2.675 423 H HA 0.680 5.237 4.556 0.001 0.000 0.258 423 H C -1.112 174.195 175.328 -0.035 0.000 1.271 423 H CA -0.792 55.224 56.048 -0.054 0.000 1.462 423 H CB 0.456 30.173 29.762 -0.075 0.000 1.467 423 H HN 0.261 nan 8.280 nan 0.000 0.501 424 S N 3.713 119.300 115.700 -0.189 0.000 2.543 424 S HA 0.314 4.785 4.470 0.001 0.000 0.274 424 S C -2.532 171.913 174.600 -0.259 0.000 1.149 424 S CA -1.197 56.907 58.200 -0.160 0.000 0.866 424 S CB 1.403 64.614 63.200 0.018 0.000 1.111 424 S HN 0.315 nan 8.310 nan 0.000 0.457 425 P HA 0.244 nan 4.420 nan 0.000 0.242 425 P C -0.613 176.282 177.300 -0.676 0.000 1.197 425 P CA 0.555 63.307 63.100 -0.580 0.000 0.765 425 P CB -0.241 31.139 31.700 -0.534 0.000 0.936 426 F N -0.225 119.692 119.950 -0.055 0.000 2.508 426 F HA 0.322 4.850 4.527 0.001 0.000 0.325 426 F C 0.731 176.501 175.800 -0.050 0.000 1.090 426 F CA -1.541 56.437 58.000 -0.036 0.000 0.945 426 F CB 0.738 39.733 39.000 -0.008 0.000 1.156 426 F HN -0.343 nan 8.300 nan 0.000 0.463 427 D N 4.722 125.202 120.400 0.133 0.000 2.358 427 D HA 0.129 4.770 4.640 0.001 0.000 0.258 427 D C -1.606 174.740 176.300 0.078 0.000 1.223 427 D CA -2.211 51.826 54.000 0.062 0.000 0.886 427 D CB 1.285 42.099 40.800 0.023 0.000 1.120 427 D HN 0.137 nan 8.370 nan 0.000 0.482 428 P HA -0.068 nan 4.420 nan 0.000 0.226 428 P C 0.826 178.156 177.300 0.050 0.000 1.153 428 P CA 0.567 63.705 63.100 0.063 0.000 0.777 428 P CB 0.173 31.912 31.700 0.066 0.000 0.794 429 A N -0.846 121.997 122.820 0.039 0.000 2.119 429 A HA 0.001 4.321 4.320 0.001 0.000 0.217 429 A C 2.064 179.656 177.584 0.013 0.000 1.153 429 A CA 0.971 53.026 52.037 0.031 0.000 0.692 429 A CB -0.958 18.056 19.000 0.023 0.000 0.799 429 A HN 0.196 nan 8.150 nan 0.000 0.458 430 I N -2.709 117.863 120.570 0.004 0.000 3.673 430 I HA 0.247 4.418 4.170 0.001 0.000 0.281 430 I C 1.149 177.237 176.117 -0.047 0.000 1.182 430 I CA 0.741 62.025 61.300 -0.027 0.000 1.391 430 I CB 0.436 38.418 38.000 -0.030 0.000 1.383 430 I HN 0.142 nan 8.210 nan 0.000 0.456 431 A N 2.872 125.677 122.820 -0.023 0.000 3.258 431 A HA 0.490 4.811 4.320 0.001 0.000 0.318 431 A C -2.642 174.893 177.584 -0.082 0.000 0.990 431 A CA -1.139 50.849 52.037 -0.082 0.000 0.885 431 A CB -0.468 18.486 19.000 -0.077 0.000 1.090 431 A HN -0.054 nan 8.150 nan 0.000 0.479 432 P HA 0.214 nan 4.420 nan 0.000 0.272 432 P C -0.120 177.106 177.300 -0.123 0.000 1.223 432 P CA 0.125 63.203 63.100 -0.037 0.000 0.784 432 P CB 1.383 33.084 31.700 0.000 0.000 0.923 433 V N 4.970 124.841 119.914 -0.071 0.000 2.385 433 V HA 0.210 4.330 4.120 0.001 0.000 0.269 433 V C 1.558 177.560 176.094 -0.153 0.000 1.043 433 V CA 0.028 62.260 62.300 -0.114 0.000 0.906 433 V CB 0.230 32.043 31.823 -0.017 0.000 0.995 433 V HN 0.533 nan 8.190 nan 0.000 0.467 434 R N 4.328 124.626 120.500 -0.337 0.000 2.565 434 R HA 0.286 4.627 4.340 0.001 0.000 0.347 434 R C 0.155 176.228 176.300 -0.378 0.000 1.010 434 R CA -0.145 55.539 56.100 -0.694 0.000 1.126 434 R CB 0.748 30.363 30.300 -1.142 0.000 1.331 434 R HN 0.906 nan 8.270 nan 0.000 0.552 435 Q N -1.828 117.770 119.800 -0.337 0.000 2.841 435 Q HA 0.433 4.774 4.340 0.001 0.000 0.309 435 Q C -1.386 174.216 176.000 -0.663 0.000 0.868 435 Q CA -0.792 54.637 55.803 -0.624 0.000 0.760 435 Q CB 1.308 29.698 28.738 -0.580 0.000 1.454 435 Q HN -0.077 nan 8.270 nan 0.000 0.449 436 S N -0.543 114.457 115.700 -1.167 0.000 2.971 436 S HA 0.596 5.066 4.470 0.001 0.000 0.320 436 S C -1.165 173.288 174.600 -0.244 0.000 1.111 436 S CA -0.164 57.738 58.200 -0.497 0.000 0.870 436 S CB 1.092 64.194 63.200 -0.164 0.000 1.331 436 S HN 0.819 nan 8.310 nan 0.000 0.635 437 N N 0.404 119.131 118.700 0.045 0.000 2.776 437 N HA 0.216 4.957 4.740 0.001 0.000 0.319 437 N C 1.010 176.647 175.510 0.211 0.000 1.316 437 N CA -0.555 52.562 53.050 0.111 0.000 0.890 437 N CB -0.487 38.021 38.487 0.035 0.000 1.165 437 N HN 0.488 nan 8.380 nan 0.000 0.596 438 L N 0.102 121.393 121.223 0.112 0.000 2.043 438 L HA -0.060 4.281 4.340 0.001 0.000 0.212 438 L C 1.659 178.547 176.870 0.030 0.000 1.075 438 L CA 1.886 56.774 54.840 0.080 0.000 0.752 438 L CB -0.529 41.557 42.059 0.046 0.000 0.891 438 L HN 0.705 nan 8.230 nan 0.000 0.432 439 C N -0.604 118.700 119.300 0.007 0.000 3.038 439 C HA 0.361 4.822 4.460 0.001 0.000 0.279 439 C C 1.071 176.015 174.990 -0.077 0.000 1.276 439 C CA -0.708 58.275 59.018 -0.058 0.000 1.697 439 C CB -0.608 27.122 27.740 -0.016 0.000 2.032 439 C HN 0.581 nan 8.230 nan 0.000 0.636 440 L N 1.705 122.923 121.223 -0.008 0.000 4.291 440 L HA -0.166 4.175 4.340 0.001 0.000 0.413 440 L C 1.695 178.586 176.870 0.035 0.000 1.162 440 L CA 1.562 56.421 54.840 0.032 0.000 0.961 440 L CB -1.853 40.175 42.059 -0.051 0.000 2.095 440 L HN 0.632 nan 8.230 nan 0.000 0.838 441 E N -0.801 119.416 120.200 0.030 0.000 2.447 441 E HA 0.098 4.449 4.350 0.001 0.000 0.204 441 E C 0.783 177.405 176.600 0.036 0.000 0.977 441 E CA -0.042 56.379 56.400 0.035 0.000 0.950 441 E CB 0.635 30.355 29.700 0.034 0.000 0.975 441 E HN 0.418 nan 8.360 nan 0.000 0.496 442 I N 2.264 122.850 120.570 0.027 0.000 2.353 442 I HA 0.451 4.622 4.170 0.001 0.000 0.293 442 I C -0.247 175.869 176.117 -0.001 0.000 0.992 442 I CA -0.897 60.416 61.300 0.021 0.000 1.268 442 I CB 1.081 39.087 38.000 0.011 0.000 1.387 442 I HN 0.075 nan 8.210 nan 0.000 0.478 443 A N 8.453 131.287 122.820 0.024 0.000 2.605 443 A HA 0.790 5.111 4.320 0.001 0.000 0.293 443 A C -0.891 176.719 177.584 0.044 0.000 1.216 443 A CA -0.399 51.644 52.037 0.010 0.000 0.742 443 A CB 0.696 19.721 19.000 0.041 0.000 1.170 443 A HN 0.629 nan 8.150 nan 0.000 0.443 444 L N 2.127 123.312 121.223 -0.064 0.000 2.393 444 L HA 0.566 4.907 4.340 0.001 0.000 0.260 444 L C -2.618 174.075 176.870 -0.294 0.000 1.002 444 L CA -2.476 52.264 54.840 -0.166 0.000 0.818 444 L CB 2.842 44.850 42.059 -0.086 0.000 1.369 444 L HN 0.344 nan 8.230 nan 0.000 0.412 445 P HA 0.220 nan 4.420 nan 0.000 0.272 445 P C -0.847 176.328 177.300 -0.209 0.000 1.223 445 P CA -0.154 62.729 63.100 -0.362 0.000 0.784 445 P CB 0.809 32.237 31.700 -0.455 0.000 0.923 446 T N -1.195 113.261 114.554 -0.164 0.000 2.864 446 T HA 0.717 5.068 4.350 0.001 0.000 0.299 446 T C -0.998 173.655 174.700 -0.078 0.000 1.166 446 T CA -0.991 61.047 62.100 -0.103 0.000 1.007 446 T CB 1.863 70.666 68.868 -0.110 0.000 1.219 446 T HN 0.222 nan 8.240 nan 0.000 0.506 447 K N 1.289 121.664 120.400 -0.042 0.000 2.535 447 K HA 0.548 4.869 4.320 0.001 0.000 0.251 447 K C -3.042 173.550 176.600 -0.012 0.000 0.942 447 K CA -2.128 54.142 56.287 -0.028 0.000 0.798 447 K CB 2.479 34.967 32.500 -0.021 0.000 1.267 447 K HN 0.370 nan 8.250 nan 0.000 0.434 448 P HA 0.030 nan 4.420 nan 0.000 0.268 448 P C -0.990 176.319 177.300 0.014 0.000 1.208 448 P CA -0.355 62.747 63.100 0.003 0.000 0.777 448 P CB 0.493 32.194 31.700 0.002 0.000 0.875 449 L N 3.024 124.261 121.223 0.025 0.000 2.334 449 L HA 0.337 4.677 4.340 0.001 0.000 0.275 449 L C 1.551 178.444 176.870 0.038 0.000 1.036 449 L CA 0.165 55.026 54.840 0.034 0.000 0.807 449 L CB 0.506 42.591 42.059 0.043 0.000 1.231 449 L HN 0.230 nan 8.230 nan 0.000 0.438 450 N N 0.672 119.394 118.700 0.037 0.000 2.416 450 N HA 0.008 4.749 4.740 0.001 0.000 0.177 450 N C -0.639 174.898 175.510 0.046 0.000 1.036 450 N CA 0.494 53.567 53.050 0.037 0.000 0.901 450 N CB 0.156 38.661 38.487 0.031 0.000 0.976 450 N HN 0.745 nan 8.380 nan 0.000 0.444 451 D N -2.799 117.630 120.400 0.048 0.000 2.842 451 D HA 0.005 4.646 4.640 0.001 0.000 0.248 451 D C 0.895 177.224 176.300 0.049 0.000 1.140 451 D CA -0.362 53.667 54.000 0.049 0.000 0.728 451 D CB 0.642 41.467 40.800 0.040 0.000 1.595 451 D HN -0.212 nan 8.370 nan 0.000 0.450 452 V N 1.632 121.576 119.914 0.051 0.000 2.370 452 V HA -0.183 3.938 4.120 0.001 0.000 0.252 452 V C 1.333 177.453 176.094 0.044 0.000 1.068 452 V CA 1.761 64.091 62.300 0.049 0.000 1.061 452 V CB -0.660 31.187 31.823 0.040 0.000 0.656 452 V HN 0.617 nan 8.190 nan 0.000 0.455 453 N N -0.332 118.391 118.700 0.037 0.000 2.230 453 N HA 0.087 4.828 4.740 0.001 0.000 0.202 453 N C 0.316 175.847 175.510 0.034 0.000 1.119 453 N CA 0.040 53.109 53.050 0.033 0.000 0.851 453 N CB -0.141 38.361 38.487 0.025 0.000 0.990 453 N HN 0.545 nan 8.380 nan 0.000 0.497 454 D N 1.887 122.309 120.400 0.037 0.000 2.426 454 D HA -0.070 4.571 4.640 0.001 0.000 0.261 454 D C 0.900 177.224 176.300 0.040 0.000 1.245 454 D CA 0.430 54.452 54.000 0.036 0.000 0.917 454 D CB 0.650 41.472 40.800 0.036 0.000 1.123 454 D HN 0.048 nan 8.370 nan 0.000 0.508 455 E N 2.895 123.117 120.200 0.038 0.000 2.516 455 E HA -0.075 4.275 4.350 0.001 0.000 0.199 455 E C 0.340 176.973 176.600 0.055 0.000 1.069 455 E CA 0.385 56.812 56.400 0.045 0.000 0.876 455 E CB -0.064 29.660 29.700 0.039 0.000 0.843 455 E HN 0.610 nan 8.360 nan 0.000 0.530 456 N N -0.102 118.624 118.700 0.044 0.000 2.184 456 N HA 0.087 4.828 4.740 0.001 0.000 0.206 456 N C 0.639 176.169 175.510 0.035 0.000 1.151 456 N CA -0.205 52.868 53.050 0.038 0.000 0.878 456 N CB 1.091 39.590 38.487 0.020 0.000 1.014 456 N HN -0.039 nan 8.380 nan 0.000 0.512 457 G N 0.530 109.355 108.800 0.043 0.000 2.562 457 G HA2 0.291 4.252 3.960 0.001 0.000 0.275 457 G HA3 0.291 4.252 3.960 0.001 0.000 0.275 457 G C -0.806 174.130 174.900 0.060 0.000 1.196 457 G CA -0.170 44.953 45.100 0.039 0.000 0.908 457 G HN 0.100 nan 8.290 nan 0.000 0.524 458 E N 0.077 120.305 120.200 0.047 0.000 2.265 458 E HA 0.364 4.715 4.350 0.001 0.000 0.262 458 E C -1.045 175.571 176.600 0.026 0.000 0.889 458 E CA -0.541 55.898 56.400 0.065 0.000 0.789 458 E CB 1.439 31.197 29.700 0.096 0.000 1.221 458 E HN 0.325 nan 8.360 nan 0.000 0.414 459 I N 3.190 123.778 120.570 0.030 0.000 2.336 459 I HA 0.391 4.562 4.170 0.001 0.000 0.292 459 I C 0.200 176.308 176.117 -0.015 0.000 0.991 459 I CA -0.478 60.822 61.300 -0.000 0.000 1.227 459 I CB 1.655 39.670 38.000 0.025 0.000 1.366 459 I HN 0.543 nan 8.210 nan 0.000 0.466 460 A N 7.946 130.736 122.820 -0.049 0.000 2.366 460 A HA 0.743 5.064 4.320 0.001 0.000 0.272 460 A C -0.558 176.991 177.584 -0.058 0.000 1.135 460 A CA -0.225 51.783 52.037 -0.049 0.000 0.804 460 A CB 0.316 19.273 19.000 -0.073 0.000 1.064 460 A HN 0.687 nan 8.150 nan 0.000 0.499 461 L N 1.230 122.441 121.223 -0.020 0.000 2.341 461 L HA 0.644 4.984 4.340 0.001 0.000 0.267 461 L C -0.598 176.285 176.870 0.022 0.000 1.009 461 L CA -0.675 54.160 54.840 -0.010 0.000 0.819 461 L CB 2.215 44.309 42.059 0.059 0.000 1.323 461 L HN 0.740 nan 8.230 nan 0.000 0.425 462 C N 0.583 119.895 119.300 0.020 0.000 2.608 462 C HA 0.632 5.093 4.460 0.001 0.000 0.325 462 C C -0.039 174.975 174.990 0.039 0.000 1.147 462 C CA -0.207 58.834 59.018 0.037 0.000 1.359 462 C CB 1.752 29.512 27.740 0.032 0.000 1.912 462 C HN 0.836 nan 8.230 nan 0.000 0.466 463 T N 6.488 121.068 114.554 0.043 0.000 2.799 463 T HA 0.555 4.906 4.350 0.001 0.000 0.286 463 T C -0.329 174.383 174.700 0.020 0.000 0.973 463 T CA -0.143 61.978 62.100 0.035 0.000 1.035 463 T CB 0.577 69.463 68.868 0.030 0.000 0.932 463 T HN 0.531 nan 8.240 nan 0.000 0.469 464 L N 1.890 123.123 121.223 0.018 0.000 2.334 464 L HA 0.850 5.191 4.340 0.001 0.000 0.270 464 L C 0.382 177.246 176.870 -0.010 0.000 1.018 464 L CA -0.748 54.096 54.840 0.006 0.000 0.811 464 L CB 1.863 43.934 42.059 0.019 0.000 1.271 464 L HN 0.598 nan 8.230 nan 0.000 0.443 465 S N -0.399 115.273 115.700 -0.047 0.000 2.661 465 S HA 0.864 5.334 4.470 0.001 0.000 0.268 465 S C -1.711 172.799 174.600 -0.151 0.000 1.162 465 S CA -0.338 57.815 58.200 -0.077 0.000 0.817 465 S CB 2.067 65.208 63.200 -0.098 0.000 1.141 465 S HN 0.820 nan 8.310 nan 0.000 0.477 466 A N 0.786 123.498 122.820 -0.179 0.000 2.549 466 A HA 0.820 5.141 4.320 0.001 0.000 0.297 466 A C -1.923 175.522 177.584 -0.231 0.000 1.061 466 A CA -0.531 51.381 52.037 -0.208 0.000 0.690 466 A CB 0.653 19.636 19.000 -0.028 0.000 1.287 466 A HN 0.459 nan 8.150 nan 0.000 0.402 467 F N 1.595 121.553 119.950 0.014 0.000 2.394 467 F HA 0.376 4.904 4.527 0.002 0.000 0.340 467 F C 0.899 176.702 175.800 0.004 0.000 1.105 467 F CA -0.815 57.177 58.000 -0.014 0.000 1.124 467 F CB 1.108 40.071 39.000 -0.063 0.000 1.145 467 F HN 0.575 nan 8.300 nan 0.000 0.505 468 N N 4.094 122.927 118.700 0.223 0.000 2.521 468 N HA 0.130 4.871 4.740 0.001 0.000 0.236 468 N C 0.753 176.347 175.510 0.138 0.000 1.067 468 N CA 0.111 53.263 53.050 0.170 0.000 0.939 468 N CB 0.357 38.944 38.487 0.166 0.000 1.201 468 N HN 0.716 nan 8.380 nan 0.000 0.511 469 L N 1.825 123.107 121.223 0.099 0.000 2.353 469 L HA -0.037 4.304 4.340 0.001 0.000 0.220 469 L C 1.982 178.948 176.870 0.161 0.000 1.133 469 L CA 1.121 55.936 54.840 -0.042 0.000 0.798 469 L CB -0.073 41.805 42.059 -0.302 0.000 0.922 469 L HN 0.552 nan 8.230 nan 0.000 0.445 470 G N -1.105 107.881 108.800 0.310 0.000 2.683 470 G HA2 0.055 4.016 3.960 0.001 0.000 0.213 470 G HA3 0.055 4.016 3.960 0.001 0.000 0.213 470 G C 1.428 176.530 174.900 0.337 0.000 1.142 470 G CA 0.546 45.933 45.100 0.480 0.000 0.793 470 G HN 0.403 nan 8.290 nan 0.000 0.534 471 A N 0.186 123.134 122.820 0.214 0.000 2.275 471 A HA 0.533 4.854 4.320 0.001 0.000 0.212 471 A C 0.695 178.328 177.584 0.082 0.000 1.201 471 A CA -0.114 52.010 52.037 0.145 0.000 0.843 471 A CB -0.345 18.736 19.000 0.135 0.000 0.873 471 A HN 0.526 nan 8.150 nan 0.000 0.492 472 I N -4.122 116.500 120.570 0.087 0.000 2.404 472 I HA 0.451 4.622 4.170 0.001 0.000 0.293 472 I C 0.311 176.468 176.117 0.066 0.000 0.992 472 I CA -0.812 60.510 61.300 0.036 0.000 1.149 472 I CB 1.116 39.105 38.000 -0.018 0.000 1.315 472 I HN -0.126 nan 8.210 nan 0.000 0.446 473 N N 3.951 122.667 118.700 0.026 0.000 2.270 473 N HA -0.087 4.654 4.740 0.001 0.000 0.181 473 N C -0.184 175.351 175.510 0.042 0.000 1.016 473 N CA 0.970 54.035 53.050 0.025 0.000 0.870 473 N CB -0.517 37.965 38.487 -0.009 0.000 0.979 473 N HN 0.944 nan 8.380 nan 0.000 0.431 474 N N -2.005 116.712 118.700 0.028 0.000 2.927 474 N HA 0.207 4.948 4.740 0.001 0.000 0.248 474 N C -0.080 175.440 175.510 0.017 0.000 1.443 474 N CA -0.675 52.399 53.050 0.040 0.000 0.870 474 N CB 0.827 39.325 38.487 0.020 0.000 1.444 474 N HN -0.286 nan 8.380 nan 0.000 0.519 475 L N -0.567 120.682 121.223 0.043 0.000 2.275 475 L HA -0.010 4.330 4.340 0.001 0.000 0.215 475 L C 0.657 177.577 176.870 0.083 0.000 1.119 475 L CA 0.943 55.812 54.840 0.049 0.000 0.790 475 L CB -0.372 41.745 42.059 0.098 0.000 0.919 475 L HN 0.660 nan 8.230 nan 0.000 0.443 476 D N 0.080 120.524 120.400 0.074 0.000 2.347 476 D HA -0.111 4.530 4.640 0.001 0.000 0.215 476 D C 1.853 178.038 176.300 -0.192 0.000 0.976 476 D CA 0.596 54.616 54.000 0.033 0.000 0.884 476 D CB 0.135 40.983 40.800 0.079 0.000 0.915 476 D HN 0.421 nan 8.370 nan 0.000 0.526 477 E N 0.234 120.334 120.200 -0.166 0.000 2.268 477 E HA -0.081 4.270 4.350 0.001 0.000 0.195 477 E C 2.026 178.422 176.600 -0.340 0.000 0.995 477 E CA 0.226 56.495 56.400 -0.218 0.000 0.836 477 E CB 0.044 29.651 29.700 -0.155 0.000 0.763 477 E HN 0.321 nan 8.360 nan 0.000 0.491 478 L N 0.893 121.871 121.223 -0.408 0.000 2.191 478 L HA -0.180 4.161 4.340 0.001 0.000 0.212 478 L C 2.550 179.000 176.870 -0.701 0.000 1.103 478 L CA 0.931 55.435 54.840 -0.560 0.000 0.769 478 L CB -0.301 41.507 42.059 -0.418 0.000 0.908 478 L HN 0.179 nan 8.230 nan 0.000 0.438 479 E N 0.754 120.275 120.200 -1.131 0.000 2.038 479 E HA -0.281 4.070 4.350 0.001 0.000 0.195 479 E C 1.912 178.243 176.600 -0.449 0.000 1.000 479 E CA 1.879 57.621 56.400 -1.096 0.000 0.803 479 E CB 0.137 29.191 29.700 -1.077 0.000 0.750 479 E HN 0.485 nan 8.360 nan 0.000 0.448 480 E N 0.430 120.424 120.200 -0.343 0.000 2.106 480 E HA -0.123 4.228 4.350 0.001 0.000 0.192 480 E C 2.138 178.672 176.600 -0.110 0.000 0.984 480 E CA 0.930 57.218 56.400 -0.187 0.000 0.806 480 E CB -0.088 29.508 29.700 -0.172 0.000 0.750 480 E HN 0.323 nan 8.360 nan 0.000 0.458 481 L N 0.261 121.388 121.223 -0.160 0.000 2.156 481 L HA -0.048 4.293 4.340 0.001 0.000 0.208 481 L C 2.390 179.366 176.870 0.176 0.000 1.095 481 L CA 0.892 55.718 54.840 -0.022 0.000 0.770 481 L CB -0.427 41.555 42.059 -0.129 0.000 0.914 481 L HN 0.163 nan 8.230 nan 0.000 0.439 482 A N 0.315 123.157 122.820 0.036 0.000 1.930 482 A HA -0.131 4.190 4.320 0.001 0.000 0.217 482 A C 2.227 179.906 177.584 0.158 0.000 1.175 482 A CA 1.239 53.405 52.037 0.215 0.000 0.627 482 A CB -0.515 18.538 19.000 0.089 0.000 0.815 482 A HN 0.305 nan 8.150 nan 0.000 0.443 483 I N -0.721 119.899 120.570 0.082 0.000 2.179 483 I HA -0.230 3.940 4.170 0.001 0.000 0.242 483 I C 2.276 178.512 176.117 0.197 0.000 1.088 483 I CA 0.834 62.201 61.300 0.112 0.000 1.357 483 I CB -0.238 37.815 38.000 0.088 0.000 1.051 483 I HN 0.220 nan 8.210 nan 0.000 0.409 484 L N 0.654 122.018 121.223 0.235 0.000 1.994 484 L HA -0.194 4.147 4.340 0.001 0.000 0.208 484 L C 2.688 179.812 176.870 0.422 0.000 1.071 484 L CA 2.301 57.368 54.840 0.379 0.000 0.745 484 L CB -1.566 40.697 42.059 0.341 0.000 0.892 484 L HN 0.230 nan 8.230 nan 0.000 0.431 485 A N -1.152 121.870 122.820 0.336 0.000 1.877 485 A HA -0.148 4.173 4.320 0.001 0.000 0.216 485 A C 2.394 180.058 177.584 0.133 0.000 1.186 485 A CA 1.928 54.121 52.037 0.260 0.000 0.620 485 A CB -0.950 18.139 19.000 0.148 0.000 0.822 485 A HN 0.221 nan 8.150 nan 0.000 0.443 486 V N -0.101 119.881 119.914 0.114 0.000 2.343 486 V HA -0.271 3.850 4.120 0.001 0.000 0.247 486 V C 2.665 178.761 176.094 0.003 0.000 1.051 486 V CA 2.326 64.654 62.300 0.047 0.000 1.036 486 V CB -0.826 31.026 31.823 0.048 0.000 0.654 486 V HN 0.515 nan 8.190 nan 0.000 0.451 487 R N -0.084 120.433 120.500 0.029 0.000 2.075 487 R HA -0.078 4.263 4.340 0.001 0.000 0.232 487 R C 2.471 178.590 176.300 -0.303 0.000 1.126 487 R CA 1.434 57.503 56.100 -0.053 0.000 0.963 487 R CB -0.618 29.706 30.300 0.040 0.000 0.858 487 R HN 0.531 nan 8.270 nan 0.000 0.435 488 A N 1.225 123.841 122.820 -0.339 0.000 1.883 488 A HA -0.150 4.171 4.320 0.001 0.000 0.217 488 A C 2.161 179.500 177.584 -0.408 0.000 1.186 488 A CA 1.265 52.897 52.037 -0.674 0.000 0.624 488 A CB -0.618 18.017 19.000 -0.608 0.000 0.822 488 A HN 0.180 nan 8.150 nan 0.000 0.444 489 L N -0.960 120.150 121.223 -0.189 0.000 2.056 489 L HA -0.178 4.163 4.340 0.001 0.000 0.207 489 L C 2.390 179.194 176.870 -0.110 0.000 1.078 489 L CA 1.846 56.614 54.840 -0.120 0.000 0.749 489 L CB -0.713 41.318 42.059 -0.048 0.000 0.901 489 L HN 0.457 nan 8.230 nan 0.000 0.433 490 D N 0.131 120.467 120.400 -0.107 0.000 2.144 490 D HA -0.175 4.466 4.640 0.001 0.000 0.199 490 D C 2.162 178.404 176.300 -0.097 0.000 0.984 490 D CA 1.270 55.223 54.000 -0.079 0.000 0.834 490 D CB 0.193 40.955 40.800 -0.065 0.000 0.955 490 D HN 0.261 nan 8.370 nan 0.000 0.465 491 A N -0.036 122.674 122.820 -0.183 0.000 1.933 491 A HA -0.097 4.224 4.320 0.001 0.000 0.218 491 A C 2.099 179.604 177.584 -0.132 0.000 1.175 491 A CA 1.138 53.060 52.037 -0.192 0.000 0.628 491 A CB -0.804 17.976 19.000 -0.367 0.000 0.814 491 A HN 0.395 nan 8.150 nan 0.000 0.444 492 L N -0.091 121.036 121.223 -0.159 0.000 2.131 492 L HA -0.090 4.251 4.340 0.001 0.000 0.210 492 L C 2.136 179.054 176.870 0.079 0.000 1.092 492 L CA 1.467 56.266 54.840 -0.067 0.000 0.759 492 L CB -0.439 41.537 42.059 -0.137 0.000 0.903 492 L HN 0.407 nan 8.230 nan 0.000 0.435 493 L N -0.589 120.673 121.223 0.065 0.000 2.129 493 L HA -0.233 4.108 4.340 0.001 0.000 0.212 493 L C 1.871 178.869 176.870 0.214 0.000 1.087 493 L CA 1.408 56.340 54.840 0.154 0.000 0.757 493 L CB -0.801 41.316 42.059 0.097 0.000 0.896 493 L HN 0.345 nan 8.230 nan 0.000 0.434 494 D N -1.823 118.659 120.400 0.137 0.000 2.305 494 D HA -0.120 4.521 4.640 0.001 0.000 0.206 494 D C 1.819 178.220 176.300 0.169 0.000 0.974 494 D CA 0.678 54.759 54.000 0.134 0.000 0.871 494 D CB 0.179 41.015 40.800 0.060 0.000 0.947 494 D HN 0.296 nan 8.370 nan 0.000 0.516 495 Y N 2.095 122.406 120.300 0.017 0.000 2.231 495 Y HA -0.028 4.523 4.550 0.001 0.000 0.294 495 Y C 1.300 177.239 175.900 0.065 0.000 1.120 495 Y CA 0.542 58.650 58.100 0.013 0.000 1.141 495 Y CB 0.032 38.475 38.460 -0.028 0.000 1.022 495 Y HN -0.086 nan 8.280 nan 0.000 0.523 496 Q N 1.070 120.960 119.800 0.149 0.000 2.535 496 Q HA 0.107 4.448 4.340 0.001 0.000 0.228 496 Q C -0.856 174.967 176.000 -0.295 0.000 1.062 496 Q CA -0.375 55.441 55.803 0.022 0.000 0.967 496 Q CB 0.559 29.350 28.738 0.089 0.000 1.273 496 Q HN 0.156 nan 8.270 nan 0.000 0.554 497 D N 0.029 120.203 120.400 -0.377 0.000 2.340 497 D HA 0.290 4.931 4.640 0.001 0.000 0.251 497 D C -1.261 174.673 176.300 -0.609 0.000 1.080 497 D CA -0.140 53.641 54.000 -0.366 0.000 0.971 497 D CB 0.642 41.299 40.800 -0.238 0.000 1.137 497 D HN 0.441 nan 8.370 nan 0.000 0.475 498 Y N 0.582 120.871 120.300 -0.019 0.000 2.426 498 Y HA 0.241 4.792 4.550 0.001 0.000 0.325 498 Y C -1.355 174.516 175.900 -0.048 0.000 0.989 498 Y CA -1.395 56.710 58.100 0.009 0.000 1.284 498 Y CB 1.742 40.220 38.460 0.030 0.000 1.104 498 Y HN 0.197 nan 8.280 nan 0.000 0.481 499 P HA 0.047 nan 4.420 nan 0.000 0.233 499 P C -0.090 177.164 177.300 -0.077 0.000 1.167 499 P CA 1.067 64.086 63.100 -0.134 0.000 0.770 499 P CB 1.087 32.584 31.700 -0.338 0.000 0.837 500 I N 0.323 120.907 120.570 0.023 0.000 2.478 500 I HA 0.232 4.403 4.170 0.001 0.000 0.287 500 I C -1.925 174.256 176.117 0.106 0.000 1.042 500 I CA -2.791 58.552 61.300 0.072 0.000 1.067 500 I CB 1.695 39.780 38.000 0.142 0.000 1.233 500 I HN -0.337 nan 8.210 nan 0.000 0.431 501 P HA -0.191 nan 4.420 nan 0.000 0.216 501 P C 1.505 178.826 177.300 0.036 0.000 1.154 501 P CA 1.831 64.954 63.100 0.040 0.000 0.865 501 P CB 0.449 32.168 31.700 0.032 0.000 0.789 502 A N -0.745 122.112 122.820 0.062 0.000 2.067 502 A HA -0.003 4.318 4.320 0.001 0.000 0.219 502 A C 2.225 179.845 177.584 0.059 0.000 1.158 502 A CA 1.740 53.816 52.037 0.063 0.000 0.661 502 A CB -1.290 17.751 19.000 0.068 0.000 0.801 502 A HN 0.219 nan 8.150 nan 0.000 0.452 503 A N -0.105 122.773 122.820 0.098 0.000 1.898 503 A HA -0.022 4.299 4.320 0.001 0.000 0.214 503 A C 2.062 179.636 177.584 -0.016 0.000 1.183 503 A CA 1.607 53.715 52.037 0.118 0.000 0.622 503 A CB -0.371 18.818 19.000 0.315 0.000 0.824 503 A HN 0.497 nan 8.150 nan 0.000 0.444 504 K N -0.179 120.138 120.400 -0.138 0.000 2.063 504 K HA -0.173 4.148 4.320 0.001 0.000 0.208 504 K C 2.259 178.619 176.600 -0.400 0.000 1.048 504 K CA 1.361 57.302 56.287 -0.577 0.000 0.928 504 K CB -0.174 32.063 32.500 -0.439 0.000 0.713 504 K HN 0.372 nan 8.250 nan 0.000 0.442 505 R N -0.385 119.995 120.500 -0.200 0.000 2.080 505 R HA -0.126 4.214 4.340 0.001 0.000 0.236 505 R C 2.471 178.584 176.300 -0.311 0.000 1.137 505 R CA 1.637 57.629 56.100 -0.181 0.000 0.943 505 R CB -0.828 29.508 30.300 0.060 0.000 0.846 505 R HN 0.421 nan 8.270 nan 0.000 0.431 506 G N 0.720 109.442 108.800 -0.130 0.000 2.446 506 G HA2 -0.280 3.681 3.960 0.001 0.000 0.217 506 G HA3 -0.280 3.681 3.960 0.001 0.000 0.217 506 G C 1.577 176.371 174.900 -0.175 0.000 1.168 506 G CA 1.020 46.068 45.100 -0.088 0.000 0.771 506 G HN 0.446 nan 8.290 nan 0.000 0.551 507 A N 0.305 123.011 122.820 -0.190 0.000 1.873 507 A HA 0.100 4.421 4.320 0.001 0.000 0.215 507 A C 2.435 179.881 177.584 -0.231 0.000 1.186 507 A CA 1.936 53.885 52.037 -0.148 0.000 0.616 507 A CB -0.280 18.673 19.000 -0.078 0.000 0.823 507 A HN 0.294 nan 8.150 nan 0.000 0.442 508 M N -0.454 118.925 119.600 -0.368 0.000 2.254 508 M HA -0.015 4.466 4.480 0.001 0.000 0.265 508 M C 2.289 178.293 176.300 -0.493 0.000 1.066 508 M CA 1.280 56.365 55.300 -0.359 0.000 1.123 508 M CB -1.789 30.601 32.600 -0.349 0.000 1.388 508 M HN 0.459 nan 8.290 nan 0.000 0.425 509 G N 1.084 109.382 108.800 -0.837 0.000 2.433 509 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 509 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 509 G C 1.806 176.362 174.900 -0.574 0.000 1.186 509 G CA 0.516 44.727 45.100 -1.481 0.000 0.779 509 G HN 0.465 nan 8.290 nan 0.000 0.543 510 R N -0.999 119.357 120.500 -0.239 0.000 2.279 510 R HA 0.259 4.600 4.340 0.001 0.000 0.195 510 R C 0.449 176.790 176.300 0.068 0.000 0.905 510 R CA -0.249 55.900 56.100 0.080 0.000 1.044 510 R CB 0.345 30.787 30.300 0.236 0.000 1.056 510 R HN 0.131 nan 8.270 nan 0.000 0.535 511 R N 2.152 122.643 120.500 -0.015 0.000 3.251 511 R HA -0.109 4.232 4.340 0.001 0.000 0.249 511 R C -0.679 175.652 176.300 0.052 0.000 0.949 511 R CA 1.010 57.113 56.100 0.005 0.000 0.645 511 R CB -2.133 28.158 30.300 -0.014 0.000 1.065 511 R HN 0.392 nan 8.270 nan 0.000 0.452 512 T N -1.071 113.530 114.554 0.079 0.000 2.794 512 T HA 0.576 4.927 4.350 0.001 0.000 0.296 512 T C 0.740 175.484 174.700 0.074 0.000 0.949 512 T CA -0.744 61.422 62.100 0.109 0.000 1.101 512 T CB 1.477 70.436 68.868 0.152 0.000 0.905 512 T HN 0.219 nan 8.240 nan 0.000 0.516 513 L N 2.190 123.451 121.223 0.064 0.000 2.322 513 L HA 0.817 5.158 4.340 0.001 0.000 0.269 513 L C 0.664 177.561 176.870 0.045 0.000 1.012 513 L CA -1.293 53.571 54.840 0.040 0.000 0.815 513 L CB 2.055 44.125 42.059 0.020 0.000 1.295 513 L HN 0.935 nan 8.230 nan 0.000 0.438 514 G N 2.119 110.934 108.800 0.025 0.000 3.113 514 G HA2 0.588 4.548 3.960 0.001 0.000 0.301 514 G HA3 0.588 4.548 3.960 0.001 0.000 0.301 514 G C -0.923 173.970 174.900 -0.011 0.000 1.606 514 G CA -0.171 44.944 45.100 0.025 0.000 1.060 514 G HN 0.351 nan 8.290 nan 0.000 0.540 515 I N 2.389 122.940 120.570 -0.032 0.000 2.354 515 I HA 0.612 4.783 4.170 0.001 0.000 0.292 515 I C 0.968 177.036 176.117 -0.081 0.000 0.989 515 I CA -0.448 60.771 61.300 -0.134 0.000 1.188 515 I CB 1.952 39.801 38.000 -0.252 0.000 1.342 515 I HN 0.437 nan 8.210 nan 0.000 0.457 516 G N 5.186 113.934 108.800 -0.088 0.000 3.211 516 G HA2 0.792 4.753 3.960 0.001 0.000 0.167 516 G HA3 0.792 4.753 3.960 0.001 0.000 0.167 516 G C -0.688 174.226 174.900 0.023 0.000 1.212 516 G CA -0.394 44.718 45.100 0.020 0.000 0.928 516 G HN 0.522 nan 8.290 nan 0.000 0.607 517 V N -1.549 118.422 119.914 0.095 0.000 3.078 517 V HA 0.863 4.984 4.120 0.001 0.000 0.311 517 V C -0.425 175.755 176.094 0.143 0.000 1.138 517 V CA -1.016 61.356 62.300 0.120 0.000 1.007 517 V CB 1.439 33.334 31.823 0.119 0.000 1.045 517 V HN 1.129 nan 8.190 nan 0.000 0.432 518 I N -1.040 119.627 120.570 0.162 0.000 3.145 518 I HA 0.748 4.919 4.170 0.001 0.000 0.313 518 I C 0.283 176.546 176.117 0.244 0.000 1.122 518 I CA -0.815 60.600 61.300 0.191 0.000 0.987 518 I CB 2.190 40.277 38.000 0.146 0.000 1.236 518 I HN 0.719 nan 8.210 nan 0.000 0.453 519 N N 0.634 119.504 118.700 0.284 0.000 2.741 519 N HA -0.256 4.485 4.740 0.001 0.000 0.250 519 N C 0.084 175.866 175.510 0.454 0.000 1.115 519 N CA 1.030 54.298 53.050 0.363 0.000 0.724 519 N CB -1.129 37.567 38.487 0.350 0.000 1.090 519 N HN 0.839 nan 8.380 nan 0.000 0.558 520 F N 0.645 120.771 119.950 0.292 0.000 2.102 520 F HA 0.032 4.559 4.527 0.001 0.000 0.298 520 F C 2.158 178.175 175.800 0.361 0.000 1.105 520 F CA 2.001 60.181 58.000 0.300 0.000 1.239 520 F CB -0.691 38.484 39.000 0.292 0.000 0.991 520 F HN 0.201 nan 8.300 nan 0.000 0.474 521 A N -0.326 122.729 122.820 0.391 0.000 1.892 521 A HA -0.309 4.012 4.320 0.001 0.000 0.218 521 A C 2.188 179.923 177.584 0.252 0.000 1.188 521 A CA 1.975 54.237 52.037 0.375 0.000 0.631 521 A CB -1.855 17.501 19.000 0.593 0.000 0.822 521 A HN 0.622 nan 8.150 nan 0.000 0.447 522 Y N -1.165 119.288 120.300 0.257 0.000 2.181 522 Y HA -0.276 4.275 4.550 0.001 0.000 0.288 522 Y C 2.209 178.128 175.900 0.033 0.000 1.146 522 Y CA 1.913 60.092 58.100 0.131 0.000 1.164 522 Y CB -0.794 37.824 38.460 0.263 0.000 0.982 522 Y HN 0.447 nan 8.280 nan 0.000 0.515 523 Y N 0.183 120.394 120.300 -0.147 0.000 2.181 523 Y HA -0.244 4.307 4.550 0.001 0.000 0.288 523 Y C 2.102 177.874 175.900 -0.214 0.000 1.146 523 Y CA 1.983 59.970 58.100 -0.189 0.000 1.164 523 Y CB -0.514 37.940 38.460 -0.009 0.000 0.982 523 Y HN 0.174 nan 8.280 nan 0.000 0.515 524 L N -0.416 120.606 121.223 -0.335 0.000 2.017 524 L HA -0.223 4.118 4.340 0.001 0.000 0.208 524 L C 2.820 179.486 176.870 -0.340 0.000 1.073 524 L CA 1.195 55.773 54.840 -0.437 0.000 0.745 524 L CB -1.135 40.573 42.059 -0.586 0.000 0.894 524 L HN 0.357 nan 8.230 nan 0.000 0.432 525 A N 1.291 123.902 122.820 -0.349 0.000 1.883 525 A HA -0.255 4.066 4.320 0.001 0.000 0.217 525 A C 2.274 179.610 177.584 -0.413 0.000 1.186 525 A CA 2.218 54.018 52.037 -0.396 0.000 0.624 525 A CB -0.534 18.052 19.000 -0.689 0.000 0.822 525 A HN 0.547 nan 8.150 nan 0.000 0.444 526 K N -1.313 118.767 120.400 -0.533 0.000 2.439 526 K HA -0.091 4.230 4.320 0.001 0.000 0.197 526 K C 0.883 177.143 176.600 -0.567 0.000 1.041 526 K CA 1.488 57.451 56.287 -0.540 0.000 0.970 526 K CB -0.359 31.740 32.500 -0.670 0.000 0.773 526 K HN 0.580 nan 8.250 nan 0.000 0.479 527 H N 0.151 118.951 119.070 -0.450 0.000 2.526 527 H HA 0.214 4.771 4.556 0.001 0.000 0.274 527 H C 0.632 175.794 175.328 -0.278 0.000 0.999 527 H CA 0.564 56.385 56.048 -0.379 0.000 1.157 527 H CB 0.885 30.354 29.762 -0.487 0.000 1.407 527 H HN 0.529 nan 8.280 nan 0.000 0.568 528 G N 1.106 109.791 108.800 -0.193 0.000 2.221 528 G HA2 -0.285 3.676 3.960 0.001 0.000 0.265 528 G HA3 -0.285 3.676 3.960 0.001 0.000 0.265 528 G C 0.019 174.850 174.900 -0.116 0.000 1.041 528 G CA 0.161 45.172 45.100 -0.148 0.000 0.807 528 G HN 0.197 nan 8.290 nan 0.000 0.502 529 K N -0.849 119.468 120.400 -0.139 0.000 2.303 529 K HA 0.816 5.137 4.320 0.001 0.000 0.233 529 K C 0.643 177.178 176.600 -0.109 0.000 1.046 529 K CA -0.735 55.480 56.287 -0.120 0.000 0.895 529 K CB 1.422 33.832 32.500 -0.150 0.000 1.220 529 K HN 0.332 nan 8.250 nan 0.000 0.470 530 R N -0.689 119.768 120.500 -0.072 0.000 2.836 530 R HA 0.316 4.657 4.340 0.001 0.000 0.269 530 R C 0.613 176.923 176.300 0.016 0.000 1.010 530 R CA -0.628 55.478 56.100 0.010 0.000 0.930 530 R CB 0.779 31.122 30.300 0.072 0.000 1.218 530 R HN 0.471 nan 8.270 nan 0.000 0.473 531 Y N -0.143 120.198 120.300 0.068 0.000 2.286 531 Y HA -0.145 4.406 4.550 0.002 0.000 0.293 531 Y C 2.385 178.349 175.900 0.107 0.000 1.124 531 Y CA 1.745 59.919 58.100 0.124 0.000 1.178 531 Y CB 0.286 38.857 38.460 0.184 0.000 1.010 531 Y HN 0.590 nan 8.280 nan 0.000 0.536 532 S N -1.044 114.803 115.700 0.244 0.000 2.528 532 S HA -0.046 4.425 4.470 0.001 0.000 0.219 532 S C 0.929 175.597 174.600 0.114 0.000 0.985 532 S CA 0.702 59.004 58.200 0.169 0.000 0.914 532 S CB -0.152 63.127 63.200 0.132 0.000 0.776 532 S HN 0.543 nan 8.310 nan 0.000 0.526 533 D N -0.611 119.842 120.400 0.089 0.000 2.469 533 D HA 0.300 4.941 4.640 0.001 0.000 0.213 533 D C 1.343 177.667 176.300 0.039 0.000 1.135 533 D CA 0.421 54.457 54.000 0.059 0.000 0.834 533 D CB -0.281 40.548 40.800 0.048 0.000 1.009 533 D HN 0.474 nan 8.370 nan 0.000 0.507 534 G N 0.796 109.616 108.800 0.034 0.000 2.179 534 G HA2 -0.384 3.577 3.960 0.001 0.000 0.260 534 G HA3 -0.384 3.577 3.960 0.001 0.000 0.260 534 G C 1.275 176.174 174.900 -0.002 0.000 0.977 534 G CA 0.935 46.040 45.100 0.008 0.000 0.641 534 G HN 0.706 nan 8.290 nan 0.000 0.533 535 S N -0.140 115.560 115.700 -0.001 0.000 2.419 535 S HA 0.323 4.793 4.470 0.001 0.000 0.233 535 S C 2.359 176.942 174.600 -0.028 0.000 1.016 535 S CA 1.447 59.638 58.200 -0.015 0.000 0.974 535 S CB -0.177 63.012 63.200 -0.018 0.000 0.786 535 S HN 1.722 nan 8.310 nan 0.000 0.492 536 A N 1.599 124.401 122.820 -0.031 0.000 2.218 536 A HA 0.206 4.527 4.320 0.001 0.000 0.209 536 A C 1.835 179.434 177.584 0.024 0.000 1.168 536 A CA 0.450 52.467 52.037 -0.033 0.000 0.804 536 A CB -0.555 18.396 19.000 -0.083 0.000 0.834 536 A HN 0.485 nan 8.150 nan 0.000 0.482 537 N N 1.682 120.390 118.700 0.013 0.000 2.021 537 N HA -0.183 4.557 4.740 0.001 0.000 0.198 537 N C 1.354 176.906 175.510 0.070 0.000 1.041 537 N CA 1.907 54.970 53.050 0.022 0.000 0.862 537 N CB -0.418 38.056 38.487 -0.023 0.000 1.048 537 N HN 0.455 nan 8.380 nan 0.000 0.427 538 N N 0.363 119.089 118.700 0.043 0.000 2.188 538 N HA -0.079 4.662 4.740 0.001 0.000 0.184 538 N C 1.739 177.319 175.510 0.117 0.000 1.018 538 N CA 0.315 53.401 53.050 0.061 0.000 0.858 538 N CB -0.510 37.981 38.487 0.008 0.000 0.989 538 N HN 0.170 nan 8.380 nan 0.000 0.426 539 L N 1.274 122.543 121.223 0.076 0.000 2.079 539 L HA -0.108 4.233 4.340 0.001 0.000 0.210 539 L C 1.914 178.909 176.870 0.208 0.000 1.081 539 L CA 1.679 56.563 54.840 0.074 0.000 0.752 539 L CB -1.053 40.983 42.059 -0.039 0.000 0.896 539 L HN 0.083 nan 8.230 nan 0.000 0.433 540 T N -1.529 113.187 114.554 0.269 0.000 2.737 540 T HA -0.210 4.140 4.350 0.001 0.000 0.265 540 T C 1.815 176.745 174.700 0.383 0.000 1.038 540 T CA 1.374 63.719 62.100 0.408 0.000 1.144 540 T CB -0.491 68.564 68.868 0.313 0.000 0.866 540 T HN 0.503 nan 8.240 nan 0.000 0.434 541 H N 1.681 120.872 119.070 0.202 0.000 2.289 541 H HA -0.096 4.461 4.556 0.001 0.000 0.296 541 H C 2.444 177.838 175.328 0.111 0.000 1.091 541 H CA 2.146 58.324 56.048 0.218 0.000 1.274 541 H CB -0.195 29.661 29.762 0.157 0.000 1.364 541 H HN 0.301 nan 8.280 nan 0.000 0.490 542 K N -0.476 120.114 120.400 0.318 0.000 2.063 542 K HA -0.116 4.205 4.320 0.001 0.000 0.208 542 K C 2.153 178.804 176.600 0.085 0.000 1.048 542 K CA 1.886 58.316 56.287 0.238 0.000 0.928 542 K CB 0.052 32.676 32.500 0.206 0.000 0.713 542 K HN 0.250 nan 8.250 nan 0.000 0.442 543 T N 0.129 114.735 114.554 0.087 0.000 2.770 543 T HA -0.063 4.288 4.350 0.001 0.000 0.263 543 T C 1.466 175.985 174.700 -0.301 0.000 1.039 543 T CA 1.328 63.386 62.100 -0.070 0.000 1.142 543 T CB -0.249 68.602 68.868 -0.027 0.000 0.868 543 T HN 0.161 nan 8.240 nan 0.000 0.435 544 F N 1.229 121.050 119.950 -0.215 0.000 2.293 544 F HA 0.135 4.663 4.527 0.001 0.000 0.297 544 F C 2.499 177.876 175.800 -0.706 0.000 1.089 544 F CA 0.450 58.267 58.000 -0.304 0.000 1.377 544 F CB -0.204 38.721 39.000 -0.125 0.000 1.051 544 F HN 0.149 nan 8.300 nan 0.000 0.511 545 E N 0.782 120.275 120.200 -1.178 0.000 2.049 545 E HA -0.296 4.055 4.350 0.001 0.000 0.198 545 E C 2.400 178.857 176.600 -0.239 0.000 1.007 545 E CA 1.381 57.200 56.400 -0.970 0.000 0.809 545 E CB -0.201 29.193 29.700 -0.511 0.000 0.749 545 E HN 0.337 nan 8.360 nan 0.000 0.450 546 A N 0.983 123.689 122.820 -0.190 0.000 1.908 546 A HA -0.196 4.125 4.320 0.001 0.000 0.218 546 A C 2.207 179.640 177.584 -0.252 0.000 1.181 546 A CA 1.561 53.425 52.037 -0.289 0.000 0.627 546 A CB -0.689 18.289 19.000 -0.037 0.000 0.818 546 A HN 0.330 nan 8.150 nan 0.000 0.445 547 I N -1.066 119.393 120.570 -0.184 0.000 2.127 547 I HA -0.297 3.874 4.170 0.001 0.000 0.241 547 I C 2.809 178.946 176.117 0.033 0.000 1.075 547 I CA 1.956 63.205 61.300 -0.086 0.000 1.334 547 I CB -0.246 37.686 38.000 -0.113 0.000 1.040 547 I HN 0.391 nan 8.210 nan 0.000 0.405 548 Q N 0.029 119.879 119.800 0.082 0.000 2.083 548 Q HA -0.247 4.094 4.340 0.001 0.000 0.198 548 Q C 2.084 178.121 176.000 0.061 0.000 0.969 548 Q CA 1.701 57.628 55.803 0.207 0.000 0.838 548 Q CB -0.533 28.483 28.738 0.464 0.000 0.900 548 Q HN 0.549 nan 8.270 nan 0.000 0.436 549 Y N -0.577 119.552 120.300 -0.284 0.000 2.097 549 Y HA -0.300 4.250 4.550 0.001 0.000 0.282 549 Y C 1.498 177.072 175.900 -0.543 0.000 1.152 549 Y CA 2.015 59.656 58.100 -0.765 0.000 1.136 549 Y CB -0.427 37.300 38.460 -1.221 0.000 0.975 549 Y HN 0.187 nan 8.280 nan 0.000 0.498 550 Y N -0.166 119.906 120.300 -0.380 0.000 2.263 550 Y HA -0.168 4.382 4.550 0.001 0.000 0.292 550 Y C 2.420 178.171 175.900 -0.248 0.000 1.130 550 Y CA 1.091 58.972 58.100 -0.365 0.000 1.179 550 Y CB -0.820 37.477 38.460 -0.272 0.000 0.998 550 Y HN 0.164 nan 8.280 nan 0.000 0.532 551 L N -0.949 120.288 121.223 0.024 0.000 1.994 551 L HA -0.261 4.080 4.340 0.001 0.000 0.208 551 L C 2.305 179.139 176.870 -0.060 0.000 1.071 551 L CA 1.330 56.200 54.840 0.050 0.000 0.745 551 L CB -0.772 41.361 42.059 0.122 0.000 0.892 551 L HN 0.217 nan 8.230 nan 0.000 0.431 552 L N -0.274 120.867 121.223 -0.136 0.000 2.046 552 L HA -0.259 4.082 4.340 0.001 0.000 0.208 552 L C 2.710 179.422 176.870 -0.263 0.000 1.077 552 L CA 1.375 56.092 54.840 -0.205 0.000 0.747 552 L CB -0.467 41.477 42.059 -0.191 0.000 0.896 552 L HN 0.275 nan 8.230 nan 0.000 0.432 553 K N 0.250 120.423 120.400 -0.378 0.000 2.057 553 K HA -0.196 4.125 4.320 0.001 0.000 0.207 553 K C 2.144 178.634 176.600 -0.184 0.000 1.049 553 K CA 1.351 57.428 56.287 -0.350 0.000 0.931 553 K CB -0.087 32.120 32.500 -0.487 0.000 0.714 553 K HN 0.266 nan 8.250 nan 0.000 0.440 554 A N 0.351 123.099 122.820 -0.120 0.000 1.877 554 A HA -0.171 4.149 4.320 0.001 0.000 0.216 554 A C 2.208 179.755 177.584 -0.062 0.000 1.186 554 A CA 2.178 54.182 52.037 -0.056 0.000 0.620 554 A CB -0.889 18.109 19.000 -0.002 0.000 0.822 554 A HN 0.417 nan 8.150 nan 0.000 0.443 555 S N -0.470 115.180 115.700 -0.084 0.000 2.368 555 S HA -0.176 4.295 4.470 0.001 0.000 0.224 555 S C 2.074 176.600 174.600 -0.124 0.000 1.029 555 S CA 1.311 59.455 58.200 -0.093 0.000 0.988 555 S CB -0.621 62.515 63.200 -0.106 0.000 0.838 555 S HN 0.742 nan 8.310 nan 0.000 0.462 556 N N 0.413 119.023 118.700 -0.150 0.000 2.036 556 N HA -0.185 4.556 4.740 0.001 0.000 0.195 556 N C 1.656 177.082 175.510 -0.141 0.000 1.037 556 N CA 1.632 54.591 53.050 -0.151 0.000 0.855 556 N CB -0.196 38.202 38.487 -0.149 0.000 1.033 556 N HN 0.544 nan 8.380 nan 0.000 0.423 557 E N 0.234 120.359 120.200 -0.126 0.000 2.110 557 E HA -0.191 4.160 4.350 0.001 0.000 0.193 557 E C 2.004 178.552 176.600 -0.086 0.000 0.988 557 E CA 0.688 57.022 56.400 -0.110 0.000 0.804 557 E CB -0.066 29.590 29.700 -0.073 0.000 0.745 557 E HN 0.283 nan 8.360 nan 0.000 0.458 558 L N 0.715 121.897 121.223 -0.069 0.000 2.093 558 L HA -0.076 4.265 4.340 0.001 0.000 0.208 558 L C 2.149 178.969 176.870 -0.082 0.000 1.085 558 L CA 1.657 56.463 54.840 -0.057 0.000 0.755 558 L CB -0.477 41.557 42.059 -0.041 0.000 0.904 558 L HN 0.019 nan 8.230 nan 0.000 0.435 559 A N -0.626 122.131 122.820 -0.105 0.000 1.902 559 A HA -0.224 4.097 4.320 0.001 0.000 0.217 559 A C 2.307 179.839 177.584 -0.088 0.000 1.181 559 A CA 1.828 53.794 52.037 -0.117 0.000 0.623 559 A CB -0.461 18.433 19.000 -0.177 0.000 0.818 559 A HN 0.471 nan 8.150 nan 0.000 0.443 560 K N -0.650 119.688 120.400 -0.103 0.000 2.032 560 K HA -0.211 4.110 4.320 0.001 0.000 0.209 560 K C 2.154 178.711 176.600 -0.071 0.000 1.048 560 K CA 1.690 57.913 56.287 -0.106 0.000 0.927 560 K CB -0.164 32.188 32.500 -0.247 0.000 0.712 560 K HN 0.715 nan 8.250 nan 0.000 0.441 561 E N 0.645 120.799 120.200 -0.077 0.000 2.072 561 E HA -0.169 4.182 4.350 0.001 0.000 0.190 561 E C 1.530 178.085 176.600 -0.075 0.000 0.982 561 E CA 1.109 57.468 56.400 -0.068 0.000 0.803 561 E CB 0.323 29.987 29.700 -0.060 0.000 0.755 561 E HN 0.288 nan 8.360 nan 0.000 0.453 562 Q N -1.237 118.515 119.800 -0.080 0.000 2.185 562 Q HA 0.251 4.592 4.340 0.001 0.000 0.234 562 Q C -0.447 175.510 176.000 -0.071 0.000 0.819 562 Q CA 0.233 55.984 55.803 -0.086 0.000 0.961 562 Q CB 2.215 30.890 28.738 -0.106 0.000 1.140 562 Q HN 0.265 nan 8.270 nan 0.000 0.492 563 G N 1.222 109.982 108.800 -0.067 0.000 2.906 563 G HA2 0.082 4.043 3.960 0.001 0.000 0.686 563 G HA3 0.082 4.043 3.960 0.001 0.000 0.686 563 G C -0.449 174.400 174.900 -0.084 0.000 1.170 563 G CA -0.601 44.462 45.100 -0.062 0.000 0.775 563 G HN 0.290 nan 8.290 nan 0.000 0.630 564 A N 1.231 123.982 122.820 -0.115 0.000 2.492 564 A HA 0.552 4.873 4.320 0.001 0.000 0.236 564 A C 1.692 179.246 177.584 -0.050 0.000 1.078 564 A CA 0.682 52.619 52.037 -0.167 0.000 0.773 564 A CB -0.326 18.475 19.000 -0.332 0.000 1.023 564 A HN 2.549 nan 8.150 nan 0.000 0.504 565 C N 0.366 119.670 119.300 0.008 0.000 2.662 565 C HA 0.411 4.872 4.460 0.001 0.000 0.420 565 C C -1.001 174.052 174.990 0.104 0.000 1.314 565 C CA -1.077 57.967 59.018 0.043 0.000 1.963 565 C CB -0.183 27.600 27.740 0.071 0.000 2.686 565 C HN 0.702 nan 8.230 nan 0.000 0.609 566 P HA -0.149 nan 4.420 nan 0.000 0.219 566 P C 0.680 178.187 177.300 0.346 0.000 1.158 566 P CA 2.042 65.186 63.100 0.073 0.000 0.895 566 P CB -0.080 31.512 31.700 -0.180 0.000 0.792 567 W N -2.179 119.196 121.300 0.124 0.000 3.269 567 W HA 0.327 4.988 4.660 0.001 0.000 0.413 567 W C 1.346 177.969 176.519 0.174 0.000 1.057 567 W CA -1.317 56.104 57.345 0.127 0.000 1.953 567 W CB -1.762 27.756 29.460 0.097 0.000 1.053 567 W HN -0.053 nan 8.180 nan 0.000 0.753 568 F N 3.189 123.291 119.950 0.253 0.000 2.192 568 F HA -0.323 4.205 4.527 0.001 0.000 0.301 568 F C 2.114 178.015 175.800 0.169 0.000 1.079 568 F CA 2.169 60.276 58.000 0.178 0.000 1.303 568 F CB -0.336 38.730 39.000 0.110 0.000 1.024 568 F HN -0.048 nan 8.300 nan 0.000 0.494 569 N N 0.701 119.465 118.700 0.106 0.000 2.519 569 N HA -0.208 4.532 4.740 0.001 0.000 0.186 569 N C 0.960 176.430 175.510 -0.066 0.000 1.062 569 N CA 1.508 54.544 53.050 -0.023 0.000 0.910 569 N CB -0.921 37.616 38.487 0.083 0.000 0.958 569 N HN 0.567 nan 8.380 nan 0.000 0.445 570 E N 0.076 120.276 120.200 -0.000 0.000 2.479 570 E HA -0.001 4.350 4.350 0.001 0.000 0.193 570 E C 0.162 176.799 176.600 0.062 0.000 1.049 570 E CA 0.171 56.596 56.400 0.042 0.000 0.870 570 E CB 0.250 30.006 29.700 0.094 0.000 0.944 570 E HN 0.523 nan 8.360 nan 0.000 0.492 571 T N -1.092 113.402 114.554 -0.099 0.000 2.913 571 T HA 0.081 4.432 4.350 0.001 0.000 0.287 571 T C 1.530 176.100 174.700 -0.217 0.000 1.008 571 T CA -0.259 61.729 62.100 -0.187 0.000 1.067 571 T CB 1.618 70.323 68.868 -0.271 0.000 0.996 571 T HN -0.006 nan 8.240 nan 0.000 0.513 572 T N -0.437 113.987 114.554 -0.217 0.000 2.881 572 T HA -0.151 4.200 4.350 0.001 0.000 0.270 572 T C 1.423 176.002 174.700 -0.202 0.000 1.068 572 T CA 0.849 62.825 62.100 -0.206 0.000 1.131 572 T CB -0.931 67.793 68.868 -0.240 0.000 0.871 572 T HN 0.655 nan 8.240 nan 0.000 0.479 573 Y N 2.260 122.456 120.300 -0.173 0.000 2.193 573 Y HA 0.024 4.575 4.550 0.001 0.000 0.285 573 Y C 2.999 178.852 175.900 -0.079 0.000 1.166 573 Y CA 0.642 58.700 58.100 -0.070 0.000 1.181 573 Y CB -1.025 37.451 38.460 0.027 0.000 0.976 573 Y HN 0.360 nan 8.280 nan 0.000 0.520 574 A N -0.192 122.457 122.820 -0.285 0.000 1.972 574 A HA -0.173 4.148 4.320 0.001 0.000 0.219 574 A C 1.901 179.493 177.584 0.013 0.000 1.169 574 A CA 1.451 53.335 52.037 -0.255 0.000 0.635 574 A CB -0.459 18.214 19.000 -0.546 0.000 0.810 574 A HN 0.383 nan 8.150 nan 0.000 0.446 575 K N -0.904 119.483 120.400 -0.022 0.000 2.504 575 K HA 0.269 4.590 4.320 0.001 0.000 0.199 575 K C 0.872 177.499 176.600 0.044 0.000 1.028 575 K CA 0.415 56.708 56.287 0.010 0.000 1.164 575 K CB -0.212 32.276 32.500 -0.021 0.000 0.877 575 K HN 0.579 nan 8.250 nan 0.000 0.508 576 G N 1.630 110.487 108.800 0.095 0.000 2.203 576 G HA2 -0.284 3.677 3.960 0.001 0.000 0.263 576 G HA3 -0.284 3.677 3.960 0.001 0.000 0.263 576 G C 0.051 175.007 174.900 0.094 0.000 1.012 576 G CA 0.050 45.225 45.100 0.125 0.000 0.749 576 G HN 0.312 nan 8.290 nan 0.000 0.512 577 I N 0.225 120.816 120.570 0.034 0.000 2.353 577 I HA 0.534 4.705 4.170 0.001 0.000 0.293 577 I C 0.735 176.807 176.117 -0.075 0.000 0.992 577 I CA -0.736 60.548 61.300 -0.025 0.000 1.268 577 I CB 1.185 39.136 38.000 -0.082 0.000 1.387 577 I HN -0.013 nan 8.210 nan 0.000 0.478 578 L N 7.466 128.681 121.223 -0.014 0.000 2.303 578 L HA 0.474 4.815 4.340 0.001 0.000 0.266 578 L C -1.491 175.356 176.870 -0.038 0.000 1.011 578 L CA -1.579 53.278 54.840 0.028 0.000 0.818 578 L CB 1.597 43.803 42.059 0.245 0.000 1.326 578 L HN 0.336 nan 8.230 nan 0.000 0.435 579 P HA -0.216 nan 4.420 nan 0.000 0.216 579 P C 1.500 178.818 177.300 0.031 0.000 1.154 579 P CA 1.703 64.819 63.100 0.026 0.000 0.865 579 P CB -0.111 31.626 31.700 0.061 0.000 0.789 580 I N -3.052 117.412 120.570 -0.177 0.000 2.850 580 I HA -0.127 4.043 4.170 0.001 0.000 0.266 580 I C 0.962 177.103 176.117 0.040 0.000 1.257 580 I CA 1.641 62.813 61.300 -0.213 0.000 1.465 580 I CB -0.765 36.922 38.000 -0.521 0.000 1.091 580 I HN -0.205 nan 8.210 nan 0.000 0.467 581 D N 1.288 121.692 120.400 0.007 0.000 2.327 581 D HA -0.030 4.610 4.640 0.001 0.000 0.205 581 D C 1.944 178.182 176.300 -0.103 0.000 0.989 581 D CA 1.673 55.654 54.000 -0.033 0.000 0.873 581 D CB 0.240 41.025 40.800 -0.025 0.000 0.955 581 D HN 0.594 nan 8.370 nan 0.000 0.515 582 T N -2.144 112.383 114.554 -0.046 0.000 3.091 582 T HA 0.107 4.457 4.350 0.001 0.000 0.277 582 T C 0.657 175.204 174.700 -0.254 0.000 0.996 582 T CA -0.717 61.336 62.100 -0.078 0.000 0.897 582 T CB -0.657 68.261 68.868 0.082 0.000 1.109 582 T HN 0.110 nan 8.240 nan 0.000 0.534 583 Y N 1.195 121.212 120.300 -0.472 0.000 2.357 583 Y HA 0.649 5.200 4.550 0.001 0.000 0.340 583 Y C 0.443 176.036 175.900 -0.511 0.000 1.260 583 Y CA -1.886 55.694 58.100 -0.867 0.000 1.425 583 Y CB 0.500 38.529 38.460 -0.717 0.000 1.326 583 Y HN -0.180 nan 8.280 nan 0.000 0.580 584 K N 2.781 122.953 120.400 -0.379 0.000 2.395 584 K HA 0.017 4.338 4.320 0.001 0.000 0.283 584 K C 0.611 177.113 176.600 -0.163 0.000 1.068 584 K CA 0.400 56.504 56.287 -0.305 0.000 1.039 584 K CB 0.348 32.646 32.500 -0.337 0.000 0.924 584 K HN 0.814 nan 8.250 nan 0.000 0.468 585 K N 2.488 122.727 120.400 -0.269 0.000 2.160 585 K HA -0.198 4.123 4.320 0.001 0.000 0.206 585 K C 0.555 177.158 176.600 0.006 0.000 1.047 585 K CA 1.969 58.137 56.287 -0.199 0.000 0.930 585 K CB 0.043 32.425 32.500 -0.197 0.000 0.720 585 K HN 0.647 nan 8.250 nan 0.000 0.450 586 D N 1.016 121.424 120.400 0.013 0.000 2.271 586 D HA -0.156 4.485 4.640 0.001 0.000 0.207 586 D C 1.561 177.997 176.300 0.228 0.000 0.983 586 D CA 0.773 54.830 54.000 0.095 0.000 0.878 586 D CB -0.180 40.632 40.800 0.021 0.000 0.920 586 D HN 0.168 nan 8.370 nan 0.000 0.479 587 L N 0.539 121.891 121.223 0.214 0.000 2.261 587 L HA -0.169 4.172 4.340 0.001 0.000 0.216 587 L C 1.533 178.453 176.870 0.084 0.000 1.114 587 L CA 0.857 55.778 54.840 0.135 0.000 0.777 587 L CB -0.296 41.788 42.059 0.041 0.000 0.910 587 L HN -0.015 nan 8.230 nan 0.000 0.440 588 D N -0.539 119.936 120.400 0.125 0.000 2.218 588 D HA -0.154 4.487 4.640 0.001 0.000 0.204 588 D C 2.207 178.532 176.300 0.043 0.000 0.976 588 D CA 1.839 55.881 54.000 0.071 0.000 0.853 588 D CB -0.187 40.660 40.800 0.078 0.000 0.939 588 D HN 0.414 nan 8.370 nan 0.000 0.481 589 T N -1.326 113.275 114.554 0.077 0.000 3.085 589 T HA -0.006 4.344 4.350 0.001 0.000 0.263 589 T C 1.856 176.589 174.700 0.054 0.000 1.127 589 T CA 0.324 62.469 62.100 0.074 0.000 1.103 589 T CB -0.365 68.573 68.868 0.117 0.000 0.921 589 T HN 0.420 nan 8.240 nan 0.000 0.510 590 I N -2.502 118.078 120.570 0.017 0.000 4.240 590 I HA 0.772 4.942 4.170 0.001 0.000 0.331 590 I C 0.390 176.466 176.117 -0.070 0.000 1.381 590 I CA -1.071 60.198 61.300 -0.052 0.000 1.136 590 I CB 0.483 38.366 38.000 -0.196 0.000 1.137 590 I HN 0.215 nan 8.210 nan 0.000 0.411 591 A N 2.315 125.098 122.820 -0.061 0.000 2.572 591 A HA 0.685 5.006 4.320 0.001 0.000 0.295 591 A C -0.580 176.930 177.584 -0.123 0.000 1.072 591 A CA -0.409 51.577 52.037 -0.085 0.000 0.691 591 A CB 1.098 20.057 19.000 -0.069 0.000 1.291 591 A HN 0.321 nan 8.150 nan 0.000 0.404 592 N N 0.209 118.817 118.700 -0.153 0.000 2.167 592 N HA 0.096 4.837 4.740 0.001 0.000 0.234 592 N C -0.375 175.004 175.510 -0.218 0.000 1.312 592 N CA -0.186 52.768 53.050 -0.161 0.000 0.861 592 N CB 0.242 38.675 38.487 -0.090 0.000 1.217 592 N HN 0.592 nan 8.380 nan 0.000 0.504 593 E N 3.399 123.412 120.200 -0.310 0.000 2.558 593 E HA 0.111 4.461 4.350 0.001 0.000 0.255 593 E C -2.049 174.300 176.600 -0.418 0.000 0.968 593 E CA -1.004 55.205 56.400 -0.319 0.000 0.939 593 E CB 0.599 30.126 29.700 -0.288 0.000 0.921 593 E HN 0.294 nan 8.360 nan 0.000 0.477 594 P HA 0.057 nan 4.420 nan 0.000 0.274 594 P C -0.493 176.577 177.300 -0.384 0.000 1.237 594 P CA -0.215 62.700 63.100 -0.308 0.000 0.793 594 P CB 0.577 32.108 31.700 -0.282 0.000 0.977 595 L N 2.916 124.046 121.223 -0.154 0.000 2.455 595 L HA 0.062 4.403 4.340 0.001 0.000 0.272 595 L C 1.844 178.593 176.870 -0.201 0.000 1.174 595 L CA -0.087 54.743 54.840 -0.017 0.000 0.869 595 L CB -0.155 41.972 42.059 0.114 0.000 1.130 595 L HN 0.481 nan 8.230 nan 0.000 0.474 596 H N 2.146 121.221 119.070 0.008 0.000 2.654 596 H HA 0.142 4.699 4.556 0.001 0.000 0.264 596 H C -0.389 174.640 175.328 -0.499 0.000 0.954 596 H CA 0.231 56.115 56.048 -0.273 0.000 1.199 596 H CB 0.360 29.860 29.762 -0.437 0.000 1.446 596 H HN 0.415 nan 8.280 nan 0.000 0.516 597 Y N 0.743 121.008 120.300 -0.059 0.000 2.496 597 Y HA 0.171 4.722 4.550 0.001 0.000 0.331 597 Y C 0.598 176.336 175.900 -0.271 0.000 1.140 597 Y CA -1.168 56.642 58.100 -0.483 0.000 1.166 597 Y CB 1.042 38.663 38.460 -1.400 0.000 1.249 597 Y HN -0.128 nan 8.280 nan 0.000 0.479 598 D N 1.425 121.724 120.400 -0.169 0.000 2.470 598 D HA 0.014 4.655 4.640 0.001 0.000 0.226 598 D C -0.113 176.276 176.300 0.148 0.000 1.196 598 D CA -0.015 54.016 54.000 0.052 0.000 0.979 598 D CB -0.084 40.759 40.800 0.072 0.000 1.059 598 D HN 0.509 nan 8.370 nan 0.000 0.515 599 W N 1.666 123.062 121.300 0.159 0.000 2.467 599 W HA -0.015 4.645 4.660 0.001 0.000 0.275 599 W C 1.991 178.620 176.519 0.183 0.000 1.239 599 W CA -0.038 57.444 57.345 0.227 0.000 1.266 599 W CB 0.297 29.877 29.460 0.200 0.000 1.112 599 W HN 0.331 nan 8.180 nan 0.000 0.576 600 E N 0.119 120.519 120.200 0.333 0.000 2.107 600 E HA -0.113 4.238 4.350 0.001 0.000 0.191 600 E C 2.260 178.969 176.600 0.181 0.000 0.982 600 E CA 1.349 57.885 56.400 0.227 0.000 0.809 600 E CB -1.004 28.797 29.700 0.169 0.000 0.756 600 E HN 0.220 nan 8.360 nan 0.000 0.459 601 A N 1.565 124.483 122.820 0.164 0.000 1.883 601 A HA -0.182 4.139 4.320 0.001 0.000 0.217 601 A C 2.288 179.949 177.584 0.128 0.000 1.186 601 A CA 1.509 53.625 52.037 0.131 0.000 0.624 601 A CB -0.755 18.317 19.000 0.120 0.000 0.822 601 A HN 0.252 nan 8.150 nan 0.000 0.444 602 L N -0.126 121.182 121.223 0.142 0.000 2.042 602 L HA -0.162 4.178 4.340 0.001 0.000 0.210 602 L C 2.473 179.427 176.870 0.140 0.000 1.076 602 L CA 2.407 57.297 54.840 0.084 0.000 0.749 602 L CB -0.598 41.463 42.059 0.003 0.000 0.893 602 L HN 0.480 nan 8.230 nan 0.000 0.432 603 R N -0.659 119.967 120.500 0.210 0.000 2.096 603 R HA -0.186 4.154 4.340 0.001 0.000 0.240 603 R C 2.073 178.476 176.300 0.171 0.000 1.139 603 R CA 1.817 58.049 56.100 0.219 0.000 0.952 603 R CB -0.177 30.258 30.300 0.225 0.000 0.854 603 R HN 0.425 nan 8.270 nan 0.000 0.436 604 E N -0.056 120.229 120.200 0.142 0.000 2.106 604 E HA -0.119 4.232 4.350 0.001 0.000 0.192 604 E C 1.911 178.584 176.600 0.121 0.000 0.984 604 E CA 0.964 57.434 56.400 0.117 0.000 0.806 604 E CB -0.375 29.384 29.700 0.099 0.000 0.750 604 E HN 0.212 nan 8.360 nan 0.000 0.458 605 S N 0.156 115.934 115.700 0.130 0.000 2.423 605 S HA -0.043 4.428 4.470 0.001 0.000 0.231 605 S C 1.965 176.659 174.600 0.156 0.000 1.014 605 S CA 0.467 58.765 58.200 0.163 0.000 0.965 605 S CB -0.064 63.190 63.200 0.090 0.000 0.785 605 S HN 0.152 nan 8.310 nan 0.000 0.495 606 I N 0.726 121.374 120.570 0.129 0.000 2.400 606 I HA -0.072 4.099 4.170 0.001 0.000 0.248 606 I C 2.429 178.664 176.117 0.197 0.000 1.109 606 I CA 0.771 62.156 61.300 0.141 0.000 1.425 606 I CB -0.180 37.942 38.000 0.204 0.000 1.094 606 I HN 0.136 nan 8.210 nan 0.000 0.425 607 K N 0.313 120.827 120.400 0.191 0.000 2.063 607 K HA -0.159 4.162 4.320 0.001 0.000 0.208 607 K C 2.069 178.727 176.600 0.097 0.000 1.048 607 K CA 1.930 58.321 56.287 0.175 0.000 0.928 607 K CB -0.388 32.186 32.500 0.125 0.000 0.713 607 K HN 0.358 nan 8.250 nan 0.000 0.442 608 T N -0.215 114.349 114.554 0.016 0.000 2.735 608 T HA -0.060 4.291 4.350 0.001 0.000 0.256 608 T C 1.472 175.994 174.700 -0.297 0.000 1.042 608 T CA 1.269 63.268 62.100 -0.168 0.000 1.147 608 T CB -0.188 68.515 68.868 -0.275 0.000 0.865 608 T HN 0.357 nan 8.240 nan 0.000 0.421 609 H N -0.014 119.020 119.070 -0.059 0.000 2.648 609 H HA 0.484 5.041 4.556 0.001 0.000 0.265 609 H C 1.390 176.549 175.328 -0.280 0.000 0.961 609 H CA 0.226 56.199 56.048 -0.126 0.000 1.185 609 H CB 0.078 29.776 29.762 -0.105 0.000 1.449 609 H HN 0.559 nan 8.280 nan 0.000 0.523 610 G N 0.493 109.112 108.800 -0.301 0.000 2.693 610 G HA2 -0.252 3.709 3.960 0.001 0.000 0.226 610 G HA3 -0.252 3.709 3.960 0.001 0.000 0.226 610 G C -0.830 173.657 174.900 -0.687 0.000 1.354 610 G CA -0.370 44.128 45.100 -1.005 0.000 0.873 610 G HN 0.202 nan 8.290 nan 0.000 0.562 611 L N -0.462 120.233 121.223 -0.880 0.000 2.362 611 L HA 0.583 4.924 4.340 0.001 0.000 0.271 611 L C 1.425 178.162 176.870 -0.222 0.000 1.002 611 L CA -0.948 53.693 54.840 -0.333 0.000 0.818 611 L CB 1.955 43.926 42.059 -0.147 0.000 1.298 611 L HN 0.700 nan 8.230 nan 0.000 0.420 612 R N 1.802 122.216 120.500 -0.144 0.000 2.120 612 R HA -0.038 4.303 4.340 0.001 0.000 0.234 612 R C -0.313 175.968 176.300 -0.031 0.000 1.123 612 R CA 1.315 57.364 56.100 -0.085 0.000 0.975 612 R CB -0.131 30.124 30.300 -0.075 0.000 0.866 612 R HN 0.694 nan 8.270 nan 0.000 0.446 613 N N -1.408 117.280 118.700 -0.021 0.000 2.296 613 N HA 0.209 4.950 4.740 0.001 0.000 0.294 613 N C -0.406 175.136 175.510 0.053 0.000 1.033 613 N CA -0.340 52.724 53.050 0.023 0.000 0.839 613 N CB 2.286 40.776 38.487 0.005 0.000 1.395 613 N HN -0.182 nan 8.380 nan 0.000 0.479 614 S N -0.194 115.583 115.700 0.128 0.000 2.402 614 S HA -0.063 4.408 4.470 0.001 0.000 0.229 614 S C 0.892 175.510 174.600 0.029 0.000 1.021 614 S CA 1.085 59.361 58.200 0.127 0.000 0.974 614 S CB -0.174 63.205 63.200 0.298 0.000 0.800 614 S HN 0.836 nan 8.310 nan 0.000 0.484 615 T N -1.816 112.793 114.554 0.092 0.000 2.906 615 T HA 0.734 5.085 4.350 0.001 0.000 0.295 615 T C 0.169 174.910 174.700 0.068 0.000 1.075 615 T CA -0.813 61.340 62.100 0.088 0.000 1.005 615 T CB 1.729 70.686 68.868 0.149 0.000 1.136 615 T HN -0.035 nan 8.240 nan 0.000 0.498 616 L N 0.878 122.144 121.223 0.070 0.000 2.806 616 L HA 0.359 4.700 4.340 0.001 0.000 0.242 616 L C 0.811 177.722 176.870 0.069 0.000 1.068 616 L CA -0.110 54.764 54.840 0.057 0.000 0.923 616 L CB 0.639 42.724 42.059 0.044 0.000 1.364 616 L HN 0.895 nan 8.230 nan 0.000 0.511 617 S N 0.061 115.819 115.700 0.097 0.000 2.500 617 S HA 0.897 5.368 4.470 0.001 0.000 0.301 617 S C -0.522 174.134 174.600 0.094 0.000 1.092 617 S CA -0.344 57.920 58.200 0.107 0.000 1.030 617 S CB 2.517 65.817 63.200 0.167 0.000 1.031 617 S HN 0.132 nan 8.310 nan 0.000 0.483 618 A N 2.741 125.608 122.820 0.078 0.000 2.540 618 A HA 0.622 4.943 4.320 0.001 0.000 0.297 618 A C -1.196 176.427 177.584 0.065 0.000 1.056 618 A CA -0.824 51.253 52.037 0.067 0.000 0.700 618 A CB 0.985 20.018 19.000 0.054 0.000 1.280 618 A HN 0.885 nan 8.150 nan 0.000 0.398 619 L N 4.490 125.749 121.223 0.061 0.000 2.314 619 L HA 0.379 4.720 4.340 0.001 0.000 0.275 619 L C 0.457 177.359 176.870 0.053 0.000 1.068 619 L CA -0.507 54.371 54.840 0.063 0.000 0.894 619 L CB 0.673 42.757 42.059 0.042 0.000 1.275 619 L HN 0.838 nan 8.230 nan 0.000 0.432 620 M N 2.723 122.355 119.600 0.054 0.000 2.371 620 M HA 0.674 5.155 4.480 0.001 0.000 0.301 620 M C -2.711 173.625 176.300 0.060 0.000 1.173 620 M CA -1.904 53.425 55.300 0.049 0.000 1.020 620 M CB 0.020 32.645 32.600 0.041 0.000 1.490 620 M HN 0.006 nan 8.290 nan 0.000 0.485 621 P HA 0.413 nan 4.420 nan 0.000 0.281 621 P C -1.126 176.209 177.300 0.057 0.000 1.249 621 P CA -0.364 62.771 63.100 0.057 0.000 0.810 621 P CB 0.970 32.691 31.700 0.036 0.000 1.008 622 S N -0.549 115.190 115.700 0.065 0.000 2.599 622 S HA 0.640 5.111 4.470 0.001 0.000 0.294 622 S C 0.190 174.821 174.600 0.051 0.000 1.094 622 S CA -0.314 57.924 58.200 0.064 0.000 0.931 622 S CB 2.747 65.995 63.200 0.079 0.000 1.093 622 S HN 0.515 nan 8.310 nan 0.000 0.488 623 E N 0.821 121.048 120.200 0.046 0.000 3.823 623 E HA 0.147 4.498 4.350 0.001 0.000 0.225 623 E C 1.402 178.015 176.600 0.022 0.000 1.257 623 E CA 0.536 56.953 56.400 0.028 0.000 1.684 623 E CB -0.338 29.373 29.700 0.018 0.000 1.550 623 E HN 0.616 nan 8.360 nan 0.000 0.709 624 T N 0.561 115.136 114.554 0.036 0.000 2.674 624 T HA -0.148 4.203 4.350 0.001 0.000 0.265 624 T C 1.895 176.605 174.700 0.016 0.000 1.039 624 T CA 2.051 64.166 62.100 0.024 0.000 1.150 624 T CB -0.461 68.456 68.868 0.082 0.000 0.864 624 T HN 0.292 nan 8.240 nan 0.000 0.427 625 S N 2.198 117.950 115.700 0.088 0.000 2.402 625 S HA -0.097 4.374 4.470 0.001 0.000 0.229 625 S C 2.347 176.983 174.600 0.059 0.000 1.021 625 S CA 1.165 59.433 58.200 0.114 0.000 0.974 625 S CB -0.587 62.717 63.200 0.173 0.000 0.800 625 S HN 0.612 nan 8.310 nan 0.000 0.484 626 S N 2.111 117.839 115.700 0.047 0.000 2.406 626 S HA -0.061 4.410 4.470 0.001 0.000 0.228 626 S C 1.913 176.503 174.600 -0.015 0.000 1.020 626 S CA 0.541 58.759 58.200 0.031 0.000 0.965 626 S CB -0.511 62.725 63.200 0.060 0.000 0.798 626 S HN 0.539 nan 8.310 nan 0.000 0.488 627 Q N 0.745 120.527 119.800 -0.030 0.000 2.167 627 Q HA 0.089 4.430 4.340 0.001 0.000 0.202 627 Q C 2.085 178.027 176.000 -0.096 0.000 0.970 627 Q CA 1.163 56.929 55.803 -0.062 0.000 0.855 627 Q CB -0.409 28.288 28.738 -0.069 0.000 0.911 627 Q HN 0.587 nan 8.270 nan 0.000 0.438 628 I N 0.114 120.619 120.570 -0.107 0.000 2.315 628 I HA -0.216 3.955 4.170 0.001 0.000 0.248 628 I C 1.736 177.731 176.117 -0.204 0.000 1.117 628 I CA 0.912 62.150 61.300 -0.103 0.000 1.404 628 I CB -0.001 37.936 38.000 -0.105 0.000 1.071 628 I HN 0.028 nan 8.210 nan 0.000 0.419 629 S N 0.164 115.688 115.700 -0.294 0.000 2.603 629 S HA -0.031 4.440 4.470 0.001 0.000 0.220 629 S C 0.689 175.080 174.600 -0.349 0.000 0.967 629 S CA -0.051 57.801 58.200 -0.579 0.000 0.920 629 S CB -0.556 62.491 63.200 -0.256 0.000 0.773 629 S HN 0.506 nan 8.310 nan 0.000 0.529 630 N N 1.106 119.695 118.700 -0.185 0.000 2.688 630 N HA -0.223 4.518 4.740 0.001 0.000 0.258 630 N C -0.448 175.014 175.510 -0.080 0.000 1.016 630 N CA 0.185 53.179 53.050 -0.094 0.000 0.747 630 N CB -0.801 37.658 38.487 -0.045 0.000 0.895 630 N HN 0.461 nan 8.380 nan 0.000 0.543 631 A N 0.963 123.758 122.820 -0.042 0.000 2.356 631 A HA 0.625 4.946 4.320 0.001 0.000 0.323 631 A C 0.556 178.186 177.584 0.076 0.000 1.119 631 A CA -0.023 52.025 52.037 0.019 0.000 0.790 631 A CB 1.140 20.172 19.000 0.054 0.000 1.273 631 A HN 0.470 nan 8.150 nan 0.000 0.452 632 T N 0.029 114.677 114.554 0.157 0.000 2.926 632 T HA 0.230 4.581 4.350 0.001 0.000 0.307 632 T C 0.054 174.864 174.700 0.182 0.000 1.059 632 T CA -0.259 61.954 62.100 0.188 0.000 1.122 632 T CB -0.349 68.701 68.868 0.304 0.000 0.972 632 T HN 0.589 nan 8.240 nan 0.000 0.545 633 N N 1.882 120.670 118.700 0.146 0.000 2.475 633 N HA 0.453 5.194 4.740 0.001 0.000 0.267 633 N C 1.389 177.006 175.510 0.178 0.000 1.169 633 N CA 0.285 53.413 53.050 0.131 0.000 0.947 633 N CB 0.469 39.006 38.487 0.083 0.000 1.061 633 N HN 1.066 nan 8.380 nan 0.000 0.466 634 G N 2.534 111.437 108.800 0.172 0.000 2.661 634 G HA2 -0.361 3.599 3.960 0.001 0.000 0.327 634 G HA3 -0.361 3.599 3.960 0.001 0.000 0.327 634 G C 0.714 175.784 174.900 0.282 0.000 1.320 634 G CA 0.885 46.099 45.100 0.189 0.000 0.997 634 G HN 0.780 nan 8.290 nan 0.000 0.543 635 I N -1.459 119.280 120.570 0.282 0.000 3.875 635 I HA 0.456 4.627 4.170 0.001 0.000 0.329 635 I C 0.122 176.601 176.117 0.603 0.000 1.295 635 I CA -0.025 61.522 61.300 0.412 0.000 1.129 635 I CB 0.257 38.333 38.000 0.127 0.000 1.008 635 I HN 0.079 nan 8.210 nan 0.000 0.413 636 E N 3.406 123.845 120.200 0.397 0.000 2.301 636 E HA 0.385 4.736 4.350 0.001 0.000 0.275 636 E C -2.370 174.325 176.600 0.157 0.000 1.030 636 E CA -2.374 54.167 56.400 0.235 0.000 0.852 636 E CB 0.579 30.338 29.700 0.099 0.000 1.060 636 E HN 0.079 nan 8.360 nan 0.000 0.401 637 P HA 0.167 nan 4.420 nan 0.000 0.276 637 P C -2.409 174.811 177.300 -0.133 0.000 1.230 637 P CA -1.356 61.627 63.100 -0.196 0.000 0.776 637 P CB -0.234 31.124 31.700 -0.570 0.000 0.888 638 P HA 0.134 nan 4.420 nan 0.000 0.268 638 P C 0.707 177.895 177.300 -0.186 0.000 1.205 638 P CA 0.024 63.061 63.100 -0.106 0.000 0.771 638 P CB 0.953 32.580 31.700 -0.121 0.000 0.858 639 R N 1.558 121.962 120.500 -0.160 0.000 2.096 639 R HA 0.062 4.403 4.340 0.001 0.000 0.235 639 R C 1.400 177.632 176.300 -0.112 0.000 1.127 639 R CA 1.478 57.492 56.100 -0.143 0.000 0.968 639 R CB -0.366 29.922 30.300 -0.021 0.000 0.861 639 R HN 0.648 nan 8.270 nan 0.000 0.440 640 G N -2.437 106.280 108.800 -0.139 0.000 2.687 640 G HA2 0.293 4.253 3.960 0.001 0.000 0.291 640 G HA3 0.293 4.253 3.960 0.001 0.000 0.291 640 G C -0.775 173.992 174.900 -0.221 0.000 1.420 640 G CA -0.720 44.262 45.100 -0.197 0.000 0.796 640 G HN -0.034 nan 8.290 nan 0.000 0.485 641 Y N -0.805 119.474 120.300 -0.034 0.000 2.337 641 Y HA 0.226 4.777 4.550 0.002 0.000 0.293 641 Y C 1.385 177.207 175.900 -0.129 0.000 1.123 641 Y CA 0.332 58.387 58.100 -0.076 0.000 1.201 641 Y CB 0.181 38.628 38.460 -0.021 0.000 1.011 641 Y HN 0.106 nan 8.280 nan 0.000 0.545 642 V N -0.319 119.618 119.914 0.038 0.000 2.448 642 V HA 0.333 4.454 4.120 0.001 0.000 0.295 642 V C -0.075 176.013 176.094 -0.010 0.000 1.025 642 V CA -1.174 61.116 62.300 -0.015 0.000 0.859 642 V CB 1.651 33.450 31.823 -0.040 0.000 0.988 642 V HN -0.028 nan 8.190 nan 0.000 0.431 643 S N 4.239 119.931 115.700 -0.013 0.000 2.554 643 S HA 0.771 5.242 4.470 0.001 0.000 0.278 643 S C -0.628 173.971 174.600 -0.002 0.000 1.242 643 S CA -0.315 57.880 58.200 -0.008 0.000 1.051 643 S CB 0.505 63.699 63.200 -0.011 0.000 0.986 643 S HN 0.490 nan 8.310 nan 0.000 0.502 644 I N 3.920 124.492 120.570 0.004 0.000 2.498 644 I HA 0.509 4.680 4.170 0.001 0.000 0.290 644 I C -0.674 175.449 176.117 0.009 0.000 1.032 644 I CA -0.348 60.957 61.300 0.008 0.000 1.073 644 I CB 2.059 40.064 38.000 0.009 0.000 1.251 644 I HN 0.452 nan 8.210 nan 0.000 0.426 645 K N 4.046 124.452 120.400 0.010 0.000 2.422 645 K HA 0.845 5.166 4.320 0.001 0.000 0.251 645 K C -0.924 175.684 176.600 0.013 0.000 0.933 645 K CA -0.490 55.802 56.287 0.008 0.000 0.798 645 K CB 2.238 34.736 32.500 -0.003 0.000 1.238 645 K HN 0.600 nan 8.250 nan 0.000 0.428 646 A N 1.387 124.214 122.820 0.012 0.000 2.340 646 A HA 0.703 5.024 4.320 0.001 0.000 0.268 646 A C -0.395 177.196 177.584 0.012 0.000 1.100 646 A CA -0.061 51.985 52.037 0.014 0.000 0.803 646 A CB 0.276 19.285 19.000 0.014 0.000 1.043 646 A HN 0.762 nan 8.150 nan 0.000 0.488 647 S N 0.632 116.341 115.700 0.016 0.000 2.656 647 S HA 0.468 4.939 4.470 0.001 0.000 0.273 647 S C 0.425 175.036 174.600 0.019 0.000 1.168 647 S CA -0.282 57.926 58.200 0.013 0.000 0.817 647 S CB 1.211 64.415 63.200 0.007 0.000 1.146 647 S HN 0.864 nan 8.310 nan 0.000 0.475 648 K N 0.139 120.550 120.400 0.018 0.000 2.504 648 K HA -0.009 4.312 4.320 0.001 0.000 0.195 648 K C -0.268 176.350 176.600 0.031 0.000 1.036 648 K CA 1.261 57.561 56.287 0.021 0.000 0.984 648 K CB -0.547 31.963 32.500 0.018 0.000 0.788 648 K HN 0.608 nan 8.250 nan 0.000 0.488 649 D N 0.873 121.295 120.400 0.037 0.000 2.349 649 D HA 0.177 4.818 4.640 0.001 0.000 0.214 649 D C 0.678 177.022 176.300 0.073 0.000 1.063 649 D CA 0.874 54.909 54.000 0.059 0.000 0.847 649 D CB 0.848 41.690 40.800 0.069 0.000 0.933 649 D HN 0.485 nan 8.370 nan 0.000 0.513 650 G N 0.548 109.382 108.800 0.056 0.000 2.353 650 G HA2 -0.103 3.857 3.960 0.001 0.000 0.615 650 G HA3 -0.103 3.857 3.960 0.001 0.000 0.615 650 G C -0.887 174.046 174.900 0.055 0.000 1.280 650 G CA -1.028 44.103 45.100 0.052 0.000 1.000 650 G HN 0.081 nan 8.290 nan 0.000 0.516 651 I N 0.989 121.584 120.570 0.041 0.000 2.452 651 I HA 0.279 4.450 4.170 0.001 0.000 0.287 651 I C 0.526 176.686 176.117 0.072 0.000 1.079 651 I CA -0.101 61.222 61.300 0.038 0.000 1.387 651 I CB 0.517 38.525 38.000 0.014 0.000 1.404 651 I HN 0.279 nan 8.210 nan 0.000 0.522 652 L N 7.719 128.987 121.223 0.075 0.000 2.265 652 L HA 0.513 4.854 4.340 0.001 0.000 0.289 652 L C 0.050 176.961 176.870 0.069 0.000 1.033 652 L CA -0.544 54.365 54.840 0.114 0.000 0.814 652 L CB 0.579 42.672 42.059 0.056 0.000 1.203 652 L HN 0.572 nan 8.230 nan 0.000 0.423 653 R N 2.864 123.413 120.500 0.081 0.000 2.532 653 R HA 0.527 4.868 4.340 0.001 0.000 0.295 653 R C -0.823 175.492 176.300 0.026 0.000 0.968 653 R CA -0.656 55.462 56.100 0.031 0.000 0.916 653 R CB 2.415 32.716 30.300 0.001 0.000 1.124 653 R HN 0.542 nan 8.270 nan 0.000 0.463 654 Q N 2.078 121.876 119.800 -0.004 0.000 2.285 654 Q HA 0.337 4.678 4.340 0.001 0.000 0.269 654 Q C -1.459 174.524 176.000 -0.030 0.000 1.030 654 Q CA -0.690 55.099 55.803 -0.023 0.000 0.788 654 Q CB 2.304 31.026 28.738 -0.028 0.000 1.266 654 Q HN 0.379 nan 8.270 nan 0.000 0.438 655 V N 3.969 123.861 119.914 -0.037 0.000 2.465 655 V HA 0.269 4.390 4.120 0.001 0.000 0.279 655 V C 0.430 176.537 176.094 0.021 0.000 1.045 655 V CA -0.797 61.484 62.300 -0.032 0.000 0.938 655 V CB 1.095 32.883 31.823 -0.060 0.000 0.986 655 V HN 0.703 nan 8.190 nan 0.000 0.467 656 V N 3.879 123.818 119.914 0.042 0.000 2.843 656 V HA 0.132 4.253 4.120 0.001 0.000 0.305 656 V C -1.842 174.358 176.094 0.176 0.000 1.120 656 V CA -1.148 61.190 62.300 0.064 0.000 1.254 656 V CB -0.592 31.168 31.823 -0.105 0.000 0.901 656 V HN 0.798 nan 8.190 nan 0.000 0.503 657 P HA 0.069 nan 4.420 nan 0.000 0.265 657 P C 0.119 177.584 177.300 0.275 0.000 1.193 657 P CA 0.547 63.679 63.100 0.054 0.000 0.765 657 P CB 0.259 31.721 31.700 -0.397 0.000 0.823 658 D N 1.239 121.811 120.400 0.286 0.000 2.708 658 D HA -0.273 4.368 4.640 0.001 0.000 0.236 658 D C 0.483 177.046 176.300 0.439 0.000 1.146 658 D CA 0.584 54.812 54.000 0.380 0.000 0.662 658 D CB -1.605 39.446 40.800 0.419 0.000 1.059 658 D HN 0.488 nan 8.370 nan 0.000 0.428 659 Y N 0.514 120.994 120.300 0.299 0.000 2.114 659 Y HA -0.257 4.294 4.550 0.002 0.000 0.282 659 Y C 2.225 178.250 175.900 0.208 0.000 1.165 659 Y CA 2.785 61.037 58.100 0.254 0.000 1.148 659 Y CB -0.238 38.284 38.460 0.103 0.000 0.972 659 Y HN 0.373 nan 8.280 nan 0.000 0.504 660 E N -0.918 119.383 120.200 0.168 0.000 2.086 660 E HA -0.323 4.028 4.350 0.001 0.000 0.205 660 E C 1.746 178.218 176.600 -0.214 0.000 1.027 660 E CA 2.128 58.492 56.400 -0.060 0.000 0.830 660 E CB -0.416 29.207 29.700 -0.130 0.000 0.751 660 E HN 0.705 nan 8.360 nan 0.000 0.456 661 H N -1.221 117.870 119.070 0.034 0.000 2.595 661 H HA 0.141 4.698 4.556 0.001 0.000 0.265 661 H C 1.605 176.854 175.328 -0.132 0.000 0.953 661 H CA 0.491 56.513 56.048 -0.043 0.000 1.197 661 H CB 0.627 30.377 29.762 -0.020 0.000 1.438 661 H HN 0.242 nan 8.280 nan 0.000 0.531 662 L N 1.359 122.589 121.223 0.012 0.000 2.766 662 L HA 0.035 4.376 4.340 0.001 0.000 0.242 662 L C 2.319 179.179 176.870 -0.017 0.000 1.136 662 L CA -0.005 54.809 54.840 -0.043 0.000 0.933 662 L CB -0.074 41.976 42.059 -0.015 0.000 1.241 662 L HN 0.350 nan 8.230 nan 0.000 0.522 663 H N -0.549 118.432 119.070 -0.149 0.000 2.390 663 H HA -0.193 4.364 4.556 0.001 0.000 0.298 663 H C 0.605 175.988 175.328 0.092 0.000 1.106 663 H CA 1.599 57.495 56.048 -0.253 0.000 1.297 663 H CB -0.154 28.970 29.762 -1.064 0.000 1.375 663 H HN 0.344 nan 8.280 nan 0.000 0.509 664 D N 1.057 121.306 120.400 -0.251 0.000 2.271 664 D HA 0.124 4.765 4.640 0.001 0.000 0.206 664 D C 2.329 178.640 176.300 0.018 0.000 0.967 664 D CA 0.991 54.963 54.000 -0.047 0.000 0.867 664 D CB -0.068 40.638 40.800 -0.158 0.000 0.960 664 D HN 0.537 nan 8.370 nan 0.000 0.509 665 A N 0.288 123.083 122.820 -0.042 0.000 1.968 665 A HA -0.101 4.220 4.320 0.001 0.000 0.217 665 A C 0.669 178.254 177.584 0.002 0.000 1.169 665 A CA 0.476 52.471 52.037 -0.069 0.000 0.638 665 A CB -0.604 18.287 19.000 -0.181 0.000 0.812 665 A HN 0.099 nan 8.150 nan 0.000 0.446 666 Y N 0.205 120.578 120.300 0.121 0.000 2.550 666 Y HA 0.249 4.800 4.550 0.002 0.000 0.343 666 Y C 0.772 176.763 175.900 0.151 0.000 1.245 666 Y CA 0.527 58.735 58.100 0.179 0.000 1.462 666 Y CB 0.390 39.026 38.460 0.295 0.000 1.340 666 Y HN 0.385 nan 8.280 nan 0.000 0.604 667 E N 3.802 124.205 120.200 0.339 0.000 2.186 667 E HA 0.345 4.696 4.350 0.001 0.000 0.255 667 E C -1.390 175.275 176.600 0.108 0.000 0.881 667 E CA -0.469 56.057 56.400 0.210 0.000 0.752 667 E CB 0.441 30.270 29.700 0.215 0.000 1.176 667 E HN 0.593 nan 8.360 nan 0.000 0.421 668 L N 4.418 125.644 121.223 0.006 0.000 2.467 668 L HA 0.019 4.360 4.340 0.001 0.000 0.270 668 L C 1.724 178.480 176.870 -0.189 0.000 1.205 668 L CA -0.404 54.356 54.840 -0.133 0.000 0.828 668 L CB 0.184 42.118 42.059 -0.207 0.000 1.101 668 L HN 0.713 nan 8.230 nan 0.000 0.479 669 L N 1.911 122.924 121.223 -0.350 0.000 2.010 669 L HA -0.229 4.112 4.340 0.001 0.000 0.219 669 L C 1.740 178.276 176.870 -0.556 0.000 1.077 669 L CA 2.204 56.679 54.840 -0.607 0.000 0.773 669 L CB -0.452 41.057 42.059 -0.916 0.000 0.892 669 L HN 0.587 nan 8.230 nan 0.000 0.436 670 W N -0.566 120.693 121.300 -0.068 0.000 3.180 670 W HA 0.074 4.736 4.660 0.003 0.000 0.254 670 W C 2.083 178.588 176.519 -0.024 0.000 1.318 670 W CA 0.091 57.412 57.345 -0.040 0.000 1.608 670 W CB -0.146 29.301 29.460 -0.022 0.000 1.124 670 W HN 0.213 nan 8.180 nan 0.000 0.694 671 E N 0.514 120.785 120.200 0.118 0.000 2.427 671 E HA -0.039 4.312 4.350 0.001 0.000 0.196 671 E C 0.834 177.479 176.600 0.076 0.000 1.028 671 E CA 0.363 56.821 56.400 0.096 0.000 0.864 671 E CB -0.121 29.625 29.700 0.077 0.000 0.813 671 E HN 0.262 nan 8.360 nan 0.000 0.514 672 M N 1.938 121.563 119.600 0.041 0.000 2.251 672 M HA 0.045 4.526 4.480 0.001 0.000 0.346 672 M C -1.773 174.565 176.300 0.063 0.000 1.499 672 M CA -1.335 53.987 55.300 0.037 0.000 1.128 672 M CB 0.354 32.936 32.600 -0.030 0.000 1.809 672 M HN -0.206 nan 8.290 nan 0.000 0.464 673 P HA -0.071 nan 4.420 nan 0.000 0.219 673 P C 0.482 177.817 177.300 0.058 0.000 1.146 673 P CA 0.776 63.906 63.100 0.050 0.000 0.808 673 P CB 0.311 32.039 31.700 0.046 0.000 0.779 674 G N -2.329 106.513 108.800 0.069 0.000 2.428 674 G HA2 0.080 4.041 3.960 0.001 0.000 0.304 674 G HA3 0.080 4.041 3.960 0.001 0.000 0.304 674 G C -0.333 174.602 174.900 0.057 0.000 1.303 674 G CA -0.431 44.718 45.100 0.082 0.000 0.825 674 G HN -0.225 nan 8.290 nan 0.000 0.484 675 N N -0.324 118.416 118.700 0.066 0.000 2.373 675 N HA 0.030 4.771 4.740 0.001 0.000 0.181 675 N C 1.043 176.663 175.510 0.184 0.000 1.082 675 N CA 0.859 53.956 53.050 0.079 0.000 0.885 675 N CB 0.486 38.993 38.487 0.033 0.000 0.977 675 N HN 0.521 nan 8.380 nan 0.000 0.462 676 D N 0.560 121.063 120.400 0.171 0.000 2.097 676 D HA -0.096 4.545 4.640 0.001 0.000 0.195 676 D C 2.072 178.466 176.300 0.156 0.000 0.989 676 D CA 1.373 55.481 54.000 0.181 0.000 0.827 676 D CB -0.397 40.503 40.800 0.167 0.000 0.966 676 D HN 0.212 nan 8.370 nan 0.000 0.456 677 G N -0.206 108.688 108.800 0.155 0.000 2.421 677 G HA2 -0.331 3.630 3.960 0.001 0.000 0.216 677 G HA3 -0.331 3.630 3.960 0.001 0.000 0.216 677 G C 1.491 176.504 174.900 0.188 0.000 1.171 677 G CA 0.805 45.989 45.100 0.140 0.000 0.775 677 G HN 0.325 nan 8.290 nan 0.000 0.543 678 Y N 1.131 121.518 120.300 0.146 0.000 2.128 678 Y HA -0.068 4.483 4.550 0.002 0.000 0.284 678 Y C 2.543 178.512 175.900 0.114 0.000 1.154 678 Y CA 1.554 59.772 58.100 0.195 0.000 1.149 678 Y CB -0.273 38.273 38.460 0.145 0.000 0.976 678 Y HN 0.103 nan 8.280 nan 0.000 0.505 679 L N 0.174 121.502 121.223 0.174 0.000 2.191 679 L HA -0.245 4.096 4.340 0.001 0.000 0.212 679 L C 2.493 179.324 176.870 -0.066 0.000 1.103 679 L CA 1.383 56.262 54.840 0.065 0.000 0.769 679 L CB -0.538 41.652 42.059 0.217 0.000 0.908 679 L HN 0.365 nan 8.230 nan 0.000 0.438 680 Q N -0.340 119.387 119.800 -0.123 0.000 2.172 680 Q HA -0.130 4.211 4.340 0.001 0.000 0.200 680 Q C 2.350 178.192 176.000 -0.263 0.000 0.964 680 Q CA 1.072 56.667 55.803 -0.346 0.000 0.855 680 Q CB 0.024 28.547 28.738 -0.357 0.000 0.918 680 Q HN 0.557 nan 8.270 nan 0.000 0.444 681 L N -0.285 120.829 121.223 -0.182 0.000 2.072 681 L HA -0.138 4.203 4.340 0.001 0.000 0.205 681 L C 2.354 179.039 176.870 -0.310 0.000 1.079 681 L CA 0.639 55.370 54.840 -0.181 0.000 0.752 681 L CB -0.495 41.523 42.059 -0.067 0.000 0.906 681 L HN 0.070 nan 8.230 nan 0.000 0.436 682 V N 0.567 120.257 119.914 -0.372 0.000 2.287 682 V HA -0.249 3.872 4.120 0.001 0.000 0.248 682 V C 2.684 178.628 176.094 -0.250 0.000 1.053 682 V CA 2.135 64.220 62.300 -0.359 0.000 1.027 682 V CB -1.363 30.259 31.823 -0.334 0.000 0.646 682 V HN 0.580 nan 8.190 nan 0.000 0.447 683 G N -0.185 108.503 108.800 -0.187 0.000 2.440 683 G HA2 -0.251 3.710 3.960 0.001 0.000 0.218 683 G HA3 -0.251 3.710 3.960 0.001 0.000 0.218 683 G C 1.572 176.363 174.900 -0.182 0.000 1.154 683 G CA 1.244 46.260 45.100 -0.139 0.000 0.767 683 G HN 0.503 nan 8.290 nan 0.000 0.552 684 I N 0.350 120.794 120.570 -0.209 0.000 2.202 684 I HA -0.179 3.992 4.170 0.001 0.000 0.242 684 I C 2.954 178.969 176.117 -0.171 0.000 1.091 684 I CA 1.111 62.314 61.300 -0.160 0.000 1.368 684 I CB -0.224 37.728 38.000 -0.080 0.000 1.058 684 I HN 0.179 nan 8.210 nan 0.000 0.410 685 M N -0.186 119.201 119.600 -0.356 0.000 2.108 685 M HA -0.276 4.205 4.480 0.001 0.000 0.261 685 M C 2.377 178.554 176.300 -0.206 0.000 1.066 685 M CA 1.792 56.751 55.300 -0.570 0.000 1.107 685 M CB -0.483 31.473 32.600 -1.073 0.000 1.356 685 M HN 0.132 nan 8.290 nan 0.000 0.406 686 Q N 1.069 120.764 119.800 -0.174 0.000 2.226 686 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 686 Q C 1.757 177.780 176.000 0.037 0.000 0.975 686 Q CA 1.690 57.464 55.803 -0.048 0.000 0.866 686 Q CB -0.283 28.432 28.738 -0.038 0.000 0.915 686 Q HN 0.430 nan 8.270 nan 0.000 0.440 687 K N -1.060 119.247 120.400 -0.154 0.000 2.107 687 K HA -0.216 4.104 4.320 0.001 0.000 0.211 687 K C 1.122 177.507 176.600 -0.359 0.000 1.049 687 K CA 1.968 58.007 56.287 -0.415 0.000 0.927 687 K CB -0.229 31.704 32.500 -0.945 0.000 0.714 687 K HN 0.300 nan 8.250 nan 0.000 0.452 688 F N 0.394 120.353 119.950 0.014 0.000 2.582 688 F HA 0.215 4.743 4.527 0.001 0.000 0.290 688 F C 0.695 176.567 175.800 0.120 0.000 1.115 688 F CA -0.501 57.545 58.000 0.076 0.000 1.445 688 F CB 0.161 39.229 39.000 0.115 0.000 1.126 688 F HN -0.138 nan 8.300 nan 0.000 0.574 689 I N 1.839 122.550 120.570 0.236 0.000 2.618 689 I HA -0.069 4.102 4.170 0.001 0.000 0.284 689 I C 1.059 177.210 176.117 0.057 0.000 1.146 689 I CA 0.103 61.499 61.300 0.161 0.000 1.425 689 I CB 0.204 38.265 38.000 0.102 0.000 1.383 689 I HN 0.171 nan 8.210 nan 0.000 0.562 690 D N 4.291 124.740 120.400 0.083 0.000 2.117 690 D HA -0.115 4.526 4.640 0.001 0.000 0.198 690 D C 1.342 177.647 176.300 0.009 0.000 0.982 690 D CA 1.453 55.473 54.000 0.033 0.000 0.828 690 D CB 0.511 41.372 40.800 0.102 0.000 0.967 690 D HN 0.618 nan 8.370 nan 0.000 0.464 691 Q N -0.278 119.553 119.800 0.051 0.000 3.080 691 Q HA 0.343 4.684 4.340 0.001 0.000 0.219 691 Q C 0.514 176.539 176.000 0.042 0.000 1.169 691 Q CA -0.369 55.470 55.803 0.061 0.000 0.315 691 Q CB 0.555 29.340 28.738 0.079 0.000 5.814 691 Q HN -0.061 nan 8.270 nan 0.000 0.319 692 S N -1.191 114.537 115.700 0.046 0.000 2.971 692 S HA 0.689 5.160 4.470 0.001 0.000 0.320 692 S C -1.535 173.084 174.600 0.032 0.000 1.111 692 S CA -0.734 57.491 58.200 0.041 0.000 0.870 692 S CB 0.875 64.107 63.200 0.053 0.000 1.331 692 S HN 0.350 nan 8.310 nan 0.000 0.635 693 I N 1.244 121.830 120.570 0.027 0.000 2.619 693 I HA 0.306 4.477 4.170 0.001 0.000 0.292 693 I C -0.511 175.630 176.117 0.039 0.000 1.100 693 I CA -0.521 60.788 61.300 0.015 0.000 1.043 693 I CB 2.468 40.446 38.000 -0.037 0.000 1.239 693 I HN 0.422 nan 8.210 nan 0.000 0.420 694 S N 4.668 120.396 115.700 0.047 0.000 4.069 694 S HA 0.302 4.773 4.470 0.001 0.000 0.192 694 S C 0.508 175.176 174.600 0.114 0.000 1.441 694 S CA -0.524 57.709 58.200 0.054 0.000 0.994 694 S CB -0.379 62.844 63.200 0.039 0.000 1.456 694 S HN 0.625 nan 8.310 nan 0.000 0.458 695 A N 2.848 125.751 122.820 0.139 0.000 2.492 695 A HA 0.221 4.542 4.320 0.001 0.000 0.254 695 A C 0.538 178.286 177.584 0.274 0.000 1.091 695 A CA -0.339 51.852 52.037 0.256 0.000 0.768 695 A CB 0.113 19.239 19.000 0.210 0.000 1.028 695 A HN 0.645 nan 8.150 nan 0.000 0.498 696 N N 0.669 119.547 118.700 0.296 0.000 2.508 696 N HA 0.449 5.189 4.740 0.001 0.000 0.285 696 N C -0.065 175.482 175.510 0.062 0.000 1.144 696 N CA 0.059 53.195 53.050 0.143 0.000 0.978 696 N CB 1.352 39.855 38.487 0.027 0.000 1.180 696 N HN 0.775 nan 8.380 nan 0.000 0.484 697 T N -1.077 113.509 114.554 0.053 0.000 2.885 697 T HA 0.455 4.806 4.350 0.001 0.000 0.285 697 T C -0.638 173.974 174.700 -0.146 0.000 1.019 697 T CA -0.997 61.083 62.100 -0.034 0.000 1.010 697 T CB 1.507 70.470 68.868 0.158 0.000 1.022 697 T HN 0.358 nan 8.240 nan 0.000 0.466 698 N N 1.173 119.615 118.700 -0.430 0.000 2.225 698 N HA 0.447 5.188 4.740 0.001 0.000 0.298 698 N C -1.883 173.341 175.510 -0.476 0.000 1.076 698 N CA -0.514 52.367 53.050 -0.282 0.000 0.792 698 N CB 2.427 40.699 38.487 -0.359 0.000 1.498 698 N HN 0.671 nan 8.380 nan 0.000 0.474 699 Y N -0.344 120.215 120.300 0.432 0.000 2.362 699 Y HA 0.160 4.711 4.550 0.002 0.000 0.326 699 Y C -0.779 175.280 175.900 0.264 0.000 1.083 699 Y CA -0.941 57.372 58.100 0.355 0.000 1.073 699 Y CB 1.725 40.278 38.460 0.154 0.000 1.211 699 Y HN 0.361 nan 8.280 nan 0.000 0.433 700 D N 5.224 125.861 120.400 0.395 0.000 2.454 700 D HA 0.332 4.973 4.640 0.001 0.000 0.225 700 D C -2.049 174.398 176.300 0.244 0.000 1.081 700 D CA -2.519 51.513 54.000 0.054 0.000 0.864 700 D CB 1.863 42.659 40.800 -0.006 0.000 1.040 700 D HN 0.185 nan 8.370 nan 0.000 0.517 701 P HA -0.189 nan 4.420 nan 0.000 0.217 701 P C 1.274 178.705 177.300 0.219 0.000 1.151 701 P CA 1.248 64.466 63.100 0.197 0.000 0.849 701 P CB 0.160 31.890 31.700 0.050 0.000 0.787 702 S N -1.342 114.409 115.700 0.084 0.000 2.603 702 S HA -0.045 4.425 4.470 0.001 0.000 0.229 702 S C 1.701 176.308 174.600 0.012 0.000 0.972 702 S CA 0.428 58.651 58.200 0.038 0.000 0.935 702 S CB -0.743 62.447 63.200 -0.017 0.000 0.769 702 S HN 0.111 nan 8.310 nan 0.000 0.536 703 R N -0.425 120.067 120.500 -0.014 0.000 2.310 703 R HA 0.332 4.673 4.340 0.001 0.000 0.202 703 R C -0.901 175.106 176.300 -0.488 0.000 0.933 703 R CA 0.153 56.088 56.100 -0.275 0.000 1.054 703 R CB 0.112 30.156 30.300 -0.427 0.000 0.985 703 R HN 0.425 nan 8.270 nan 0.000 0.489 704 F N 0.674 120.646 119.950 0.038 0.000 2.551 704 F HA 0.363 4.891 4.527 0.002 0.000 0.316 704 F C -1.938 173.875 175.800 0.023 0.000 1.089 704 F CA -3.158 54.864 58.000 0.037 0.000 0.915 704 F CB 1.353 40.378 39.000 0.042 0.000 1.186 704 F HN -0.202 nan 8.300 nan 0.000 0.456 705 P HA -0.026 nan 4.420 nan 0.000 0.261 705 P C 0.097 177.459 177.300 0.103 0.000 1.173 705 P CA 0.671 63.840 63.100 0.114 0.000 0.760 705 P CB 0.747 32.507 31.700 0.100 0.000 0.783 706 S N 1.822 117.563 115.700 0.069 0.000 3.476 706 S HA -0.183 4.288 4.470 0.001 0.000 0.309 706 S C 1.173 175.805 174.600 0.054 0.000 1.222 706 S CA 1.239 59.469 58.200 0.050 0.000 0.922 706 S CB -2.171 61.051 63.200 0.037 0.000 1.023 706 S HN 1.129 nan 8.310 nan 0.000 0.591 707 G N 0.961 109.811 108.800 0.083 0.000 2.225 707 G HA2 -0.353 3.608 3.960 0.001 0.000 0.267 707 G HA3 -0.353 3.608 3.960 0.001 0.000 0.267 707 G C -0.281 174.659 174.900 0.066 0.000 1.024 707 G CA 0.887 46.038 45.100 0.086 0.000 0.784 707 G HN 1.010 nan 8.290 nan 0.000 0.507 708 K N -0.387 120.049 120.400 0.059 0.000 2.376 708 K HA 0.673 4.994 4.320 0.001 0.000 0.257 708 K C -0.148 176.354 176.600 -0.164 0.000 0.939 708 K CA -1.198 55.069 56.287 -0.033 0.000 0.809 708 K CB 2.936 35.413 32.500 -0.038 0.000 1.121 708 K HN 0.036 nan 8.250 nan 0.000 0.425 709 V N 4.186 123.899 119.914 -0.335 0.000 2.450 709 V HA 0.077 4.198 4.120 0.001 0.000 0.281 709 V C -1.618 174.182 176.094 -0.489 0.000 1.019 709 V CA -1.025 60.846 62.300 -0.714 0.000 1.062 709 V CB -0.312 31.138 31.823 -0.621 0.000 0.979 709 V HN 0.787 nan 8.190 nan 0.000 0.477 710 P HA 0.214 nan 4.420 nan 0.000 0.279 710 P C 0.473 177.651 177.300 -0.203 0.000 1.239 710 P CA -0.661 62.305 63.100 -0.223 0.000 0.789 710 P CB 1.050 32.691 31.700 -0.097 0.000 0.933 711 M N 2.440 121.963 119.600 -0.127 0.000 2.213 711 M HA -0.183 4.298 4.480 0.001 0.000 0.263 711 M C 1.997 178.267 176.300 -0.050 0.000 1.062 711 M CA 1.872 57.118 55.300 -0.091 0.000 1.105 711 M CB -1.114 31.456 32.600 -0.049 0.000 1.385 711 M HN 0.343 nan 8.290 nan 0.000 0.417 712 Q N -0.152 119.630 119.800 -0.030 0.000 2.096 712 Q HA -0.255 4.086 4.340 0.001 0.000 0.204 712 Q C 2.116 178.131 176.000 0.024 0.000 0.982 712 Q CA 2.320 58.126 55.803 0.004 0.000 0.850 712 Q CB -0.360 28.390 28.738 0.019 0.000 0.901 712 Q HN 0.663 nan 8.270 nan 0.000 0.422 713 Q N -0.527 119.282 119.800 0.016 0.000 2.083 713 Q HA -0.005 4.336 4.340 0.001 0.000 0.198 713 Q C 1.876 177.918 176.000 0.070 0.000 0.969 713 Q CA 1.287 57.138 55.803 0.080 0.000 0.838 713 Q CB -0.208 28.601 28.738 0.118 0.000 0.900 713 Q HN 0.526 nan 8.270 nan 0.000 0.436 714 L N -0.354 120.827 121.223 -0.069 0.000 2.079 714 L HA -0.187 4.154 4.340 0.001 0.000 0.210 714 L C 2.185 179.099 176.870 0.073 0.000 1.081 714 L CA 1.015 55.813 54.840 -0.071 0.000 0.752 714 L CB -0.416 41.532 42.059 -0.184 0.000 0.896 714 L HN 0.273 nan 8.230 nan 0.000 0.433 715 L N -0.586 120.673 121.223 0.061 0.000 2.131 715 L HA -0.155 4.186 4.340 0.001 0.000 0.206 715 L C 2.666 179.588 176.870 0.087 0.000 1.087 715 L CA 0.927 55.817 54.840 0.084 0.000 0.767 715 L CB -0.426 41.654 42.059 0.034 0.000 0.917 715 L HN 0.204 nan 8.230 nan 0.000 0.441 716 K N 0.338 120.788 120.400 0.085 0.000 2.026 716 K HA -0.205 4.116 4.320 0.001 0.000 0.208 716 K C 1.628 178.303 176.600 0.126 0.000 1.048 716 K CA 1.790 58.130 56.287 0.088 0.000 0.929 716 K CB -0.007 32.549 32.500 0.094 0.000 0.713 716 K HN 0.210 nan 8.250 nan 0.000 0.439 717 D N 1.097 121.607 120.400 0.183 0.000 2.123 717 D HA -0.195 4.446 4.640 0.001 0.000 0.196 717 D C 1.895 178.321 176.300 0.210 0.000 0.992 717 D CA 0.833 54.967 54.000 0.224 0.000 0.833 717 D CB -0.227 40.761 40.800 0.313 0.000 0.954 717 D HN 0.170 nan 8.370 nan 0.000 0.455 718 L N 0.489 121.837 121.223 0.209 0.000 2.012 718 L HA -0.141 4.200 4.340 0.001 0.000 0.210 718 L C 2.188 179.146 176.870 0.146 0.000 1.073 718 L CA 1.424 56.402 54.840 0.230 0.000 0.748 718 L CB -0.419 41.817 42.059 0.295 0.000 0.891 718 L HN 0.004 nan 8.230 nan 0.000 0.431 719 L N -1.488 119.775 121.223 0.067 0.000 2.056 719 L HA -0.167 4.174 4.340 0.001 0.000 0.207 719 L C 2.351 179.208 176.870 -0.022 0.000 1.078 719 L CA 1.531 56.337 54.840 -0.057 0.000 0.749 719 L CB -1.108 40.908 42.059 -0.071 0.000 0.901 719 L HN 0.237 nan 8.230 nan 0.000 0.433 720 T N 0.154 114.728 114.554 0.033 0.000 2.720 720 T HA -0.245 4.106 4.350 0.001 0.000 0.268 720 T C 2.056 176.828 174.700 0.120 0.000 1.037 720 T CA 1.460 63.586 62.100 0.043 0.000 1.144 720 T CB -0.324 68.644 68.868 0.167 0.000 0.864 720 T HN 0.460 nan 8.240 nan 0.000 0.444 721 A N 0.683 123.608 122.820 0.174 0.000 1.865 721 A HA -0.166 4.155 4.320 0.001 0.000 0.217 721 A C 2.099 179.773 177.584 0.149 0.000 1.191 721 A CA 1.959 54.114 52.037 0.197 0.000 0.623 721 A CB -1.256 17.875 19.000 0.218 0.000 0.826 721 A HN 0.600 nan 8.150 nan 0.000 0.444 722 Y N 0.502 120.793 120.300 -0.015 0.000 2.128 722 Y HA -0.242 4.309 4.550 0.001 0.000 0.284 722 Y C 2.445 178.342 175.900 -0.005 0.000 1.154 722 Y CA 2.503 60.580 58.100 -0.038 0.000 1.149 722 Y CB -0.166 38.028 38.460 -0.442 0.000 0.976 722 Y HN 0.319 nan 8.280 nan 0.000 0.505 723 K N -0.719 119.646 120.400 -0.057 0.000 2.147 723 K HA -0.167 4.154 4.320 0.001 0.000 0.205 723 K C 1.046 177.422 176.600 -0.374 0.000 1.049 723 K CA 1.447 57.585 56.287 -0.248 0.000 0.936 723 K CB -0.357 31.896 32.500 -0.411 0.000 0.722 723 K HN 0.329 nan 8.250 nan 0.000 0.446 724 F N 0.128 120.020 119.950 -0.098 0.000 2.732 724 F HA 0.246 4.773 4.527 0.001 0.000 0.303 724 F C 1.325 176.984 175.800 -0.235 0.000 1.110 724 F CA 0.439 58.361 58.000 -0.131 0.000 1.355 724 F CB 0.494 39.452 39.000 -0.070 0.000 1.081 724 F HN 0.266 nan 8.300 nan 0.000 0.565 725 G N 0.326 108.968 108.800 -0.262 0.000 2.136 725 G HA2 -0.257 3.704 3.960 0.001 0.000 0.242 725 G HA3 -0.257 3.704 3.960 0.001 0.000 0.242 725 G C 0.125 174.870 174.900 -0.260 0.000 0.989 725 G CA 0.052 44.796 45.100 -0.593 0.000 0.682 725 G HN 0.120 nan 8.290 nan 0.000 0.522 726 V N 0.664 120.554 119.914 -0.040 0.000 2.540 726 V HA 0.102 4.223 4.120 0.001 0.000 0.297 726 V C 1.760 177.939 176.094 0.143 0.000 1.024 726 V CA 1.291 63.626 62.300 0.059 0.000 1.105 726 V CB 1.185 33.073 31.823 0.108 0.000 0.938 726 V HN 0.476 nan 8.190 nan 0.000 0.482 727 K N 2.413 122.889 120.400 0.126 0.000 2.167 727 K HA 0.039 4.360 4.320 0.001 0.000 0.203 727 K C 0.668 177.374 176.600 0.176 0.000 1.052 727 K CA 1.151 57.538 56.287 0.166 0.000 0.956 727 K CB 0.151 32.726 32.500 0.124 0.000 0.735 727 K HN 0.891 nan 8.250 nan 0.000 0.451 728 T N -1.951 112.700 114.554 0.161 0.000 2.894 728 T HA 0.589 4.940 4.350 0.001 0.000 0.309 728 T C -0.634 174.172 174.700 0.176 0.000 1.208 728 T CA -1.033 61.172 62.100 0.175 0.000 1.016 728 T CB 1.597 70.552 68.868 0.144 0.000 1.192 728 T HN -0.118 nan 8.240 nan 0.000 0.491 732 Q N 5.122 124.737 119.800 -0.310 0.000 2.303 732 Q HA 0.343 4.684 4.340 0.001 0.000 0.257 732 Q C -1.265 174.386 176.000 -0.581 0.000 0.941 732 Q CA -0.622 55.031 55.803 -0.250 0.000 0.931 732 Q CB 0.870 29.595 28.738 -0.021 0.000 1.215 732 Q HN 0.616 nan 8.270 nan 0.000 0.437 733 N N 2.660 121.256 118.700 -0.174 0.000 2.425 733 N HA 0.266 5.006 4.740 0.001 0.000 0.268 733 N C -1.579 174.114 175.510 0.306 0.000 0.991 733 N CA -0.040 53.058 53.050 0.080 0.000 0.931 733 N CB 1.461 40.129 38.487 0.301 0.000 1.130 733 N HN 0.455 nan 8.380 nan 0.000 0.493 734 T N 3.143 117.846 114.554 0.250 0.000 2.770 734 T HA 0.296 4.647 4.350 0.001 0.000 0.283 734 T C 0.442 175.215 174.700 0.122 0.000 0.988 734 T CA -0.630 61.599 62.100 0.215 0.000 0.957 734 T CB 1.213 70.142 68.868 0.102 0.000 0.930 734 T HN 0.348 nan 8.240 nan 0.000 0.443 735 R N 2.602 122.991 120.500 -0.184 0.000 2.590 735 R HA 0.179 4.520 4.340 0.001 0.000 0.274 735 R C -0.612 175.542 176.300 -0.244 0.000 1.061 735 R CA -0.301 55.502 56.100 -0.495 0.000 1.081 735 R CB 0.306 29.715 30.300 -1.485 0.000 0.984 735 R HN 0.685 nan 8.270 nan 0.000 0.448 736 D N 2.617 122.926 120.400 -0.151 0.000 2.192 736 D HA 0.537 5.178 4.640 0.001 0.000 0.246 736 D C 0.346 176.583 176.300 -0.104 0.000 1.042 736 D CA -0.103 53.844 54.000 -0.089 0.000 0.847 736 D CB 1.690 42.477 40.800 -0.022 0.000 1.186 736 D HN 0.797 nan 8.370 nan 0.000 0.461 737 G N 0.000 108.751 108.800 -0.081 0.000 5.446 737 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 737 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 737 G CA 0.000 45.060 45.100 -0.067 0.000 0.502 737 G HN 0.000 nan 8.290 nan 0.000 0.925