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 3efv_1_B DATA FIRST_RESID 5 DATA SEQUENCE TATQALSVNP ATGQTLAAXP WANAQEIEHA LSLAASGFKK WKXTSVAQRA DATA SEQUENCE QTLRDIGQAL RAHAEEXAQC ITREXGKPIK QARAEVTKSA ALCDWYAEHG DATA SEQUENCE PAXLNPEPTL VENQQAVIEY RPLGVILAIX PWNFPLWQVL RGAVPILLAG DATA SEQUENCE NSYLLKHAPN VTGCAQXIAR ILAEAGTPAG VYGWVNANNE GVSQXINDPR DATA SEQUENCE IAAVTVTGSV RAGAAIGAQA GAALKKCVLE LGGSDPFIVL NDADLELAVK DATA SEQUENCE AAVAGRYQNT GQVCAAAKRF IVEEGIAQAF TDRFVAAAAA LKXGDPLVEE DATA SEQUENCE NDLGPXARFD LRDELHQQVQ ASVAEGARLL LGGEKIAGEG NYYAATVLAD DATA SEQUENCE VTPDXTAFRQ ELFGPVAAIT VAKDAAHALA LANDSEFGLS ATIFTADDTL DATA SEQUENCE AAEXAARLEC GGVFINGYSA SDARVAFGGV KKSGFGRELS HFGLHEFCNV DATA SEQUENCE QTVWKNRV 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.783 174.700 0.138 0.000 1.109 5 T CA 0.000 62.173 62.100 0.121 0.000 1.349 5 T CB 0.000 68.947 68.868 0.131 0.000 0.612 6 A N 0.616 123.564 122.820 0.214 0.000 2.435 6 A HA 0.705 5.025 4.320 0.000 0.000 0.296 6 A C 1.111 178.861 177.584 0.277 0.000 1.147 6 A CA 0.611 52.747 52.037 0.166 0.000 0.775 6 A CB 1.158 20.202 19.000 0.073 0.000 1.340 6 A HN 0.760 nan 8.150 nan 0.000 0.427 7 T N -1.606 113.022 114.554 0.123 0.000 3.148 7 T HA 0.159 4.510 4.350 0.000 0.000 0.253 7 T C 0.278 174.769 174.700 -0.349 0.000 1.134 7 T CA 0.569 62.728 62.100 0.098 0.000 1.051 7 T CB -0.171 68.723 68.868 0.043 0.000 0.959 7 T HN 0.522 nan 8.240 nan 0.000 0.525 8 Q N 0.467 119.986 119.800 -0.468 0.000 2.413 8 Q HA 0.698 5.038 4.340 0.000 0.000 0.276 8 Q C -1.091 174.364 176.000 -0.909 0.000 1.099 8 Q CA -0.884 54.475 55.803 -0.740 0.000 0.814 8 Q CB 2.285 30.814 28.738 -0.349 0.000 1.379 8 Q HN 0.313 nan 8.270 nan 0.000 0.436 9 A N 1.905 124.088 122.820 -1.062 0.000 2.409 9 A HA 0.424 4.744 4.320 0.000 0.000 0.267 9 A C -0.629 176.818 177.584 -0.228 0.000 1.127 9 A CA -0.220 51.504 52.037 -0.521 0.000 0.795 9 A CB -0.022 18.791 19.000 -0.312 0.000 1.061 9 A HN 0.519 nan 8.150 nan 0.000 0.502 10 L N 2.769 123.931 121.223 -0.102 0.000 2.322 10 L HA 0.568 4.908 4.340 0.000 0.000 0.281 10 L C -0.078 176.772 176.870 -0.032 0.000 1.014 10 L CA 0.297 55.098 54.840 -0.066 0.000 0.815 10 L CB 2.025 44.056 42.059 -0.047 0.000 1.247 10 L HN 0.531 nan 8.230 nan 0.000 0.421 11 S N 3.528 119.208 115.700 -0.033 0.000 2.442 11 S HA 0.778 5.248 4.470 0.000 0.000 0.297 11 S C -0.821 173.768 174.600 -0.020 0.000 1.131 11 S CA -0.530 57.654 58.200 -0.026 0.000 1.092 11 S CB 1.459 64.644 63.200 -0.026 0.000 0.998 11 S HN 0.412 nan 8.310 nan 0.000 0.478 12 V N 3.783 123.690 119.914 -0.012 0.000 2.638 12 V HA 0.367 4.488 4.120 0.000 0.000 0.306 12 V C -0.216 175.885 176.094 0.012 0.000 1.052 12 V CA -1.103 61.205 62.300 0.013 0.000 0.885 12 V CB 2.065 33.918 31.823 0.050 0.000 0.999 12 V HN 0.816 nan 8.190 nan 0.000 0.424 13 N N 6.939 125.648 118.700 0.015 0.000 2.416 13 N HA 0.174 4.914 4.740 0.000 0.000 0.265 13 N C -1.375 174.136 175.510 0.003 0.000 1.195 13 N CA -1.630 51.416 53.050 -0.007 0.000 0.943 13 N CB 1.749 40.236 38.487 -0.000 0.000 1.115 13 N HN 0.352 nan 8.380 nan 0.000 0.481 14 P HA -0.044 nan 4.420 nan 0.000 0.226 14 P C 0.663 177.811 177.300 -0.254 0.000 1.153 14 P CA 0.601 63.566 63.100 -0.226 0.000 0.777 14 P CB 0.239 31.700 31.700 -0.398 0.000 0.794 15 A N 0.362 123.087 122.820 -0.159 0.000 2.014 15 A HA -0.060 4.260 4.320 0.000 0.000 0.218 15 A C 2.083 179.710 177.584 0.072 0.000 1.163 15 A CA 2.176 54.164 52.037 -0.082 0.000 0.652 15 A CB -1.291 17.711 19.000 0.003 0.000 0.808 15 A HN 0.385 nan 8.150 nan 0.000 0.449 16 T N -6.583 108.013 114.554 0.070 0.000 2.958 16 T HA 0.423 4.774 4.350 0.000 0.000 0.256 16 T C 1.440 176.214 174.700 0.122 0.000 0.983 16 T CA 1.090 63.247 62.100 0.095 0.000 0.924 16 T CB 0.303 69.205 68.868 0.058 0.000 1.136 16 T HN 1.644 nan 8.240 nan 0.000 0.506 17 G N 1.675 110.585 108.800 0.183 0.000 2.184 17 G HA2 -0.220 3.740 3.960 0.000 0.000 0.264 17 G HA3 -0.220 3.740 3.960 0.000 0.000 0.264 17 G C -0.111 174.819 174.900 0.051 0.000 0.975 17 G CA 0.150 45.360 45.100 0.184 0.000 0.642 17 G HN 0.671 nan 8.290 nan 0.000 0.536 18 Q N 0.907 120.733 119.800 0.045 0.000 2.230 18 Q HA 0.509 4.850 4.340 0.000 0.000 0.253 18 Q C 0.412 176.415 176.000 0.005 0.000 0.919 18 Q CA -0.179 55.630 55.803 0.011 0.000 0.908 18 Q CB 1.044 29.788 28.738 0.010 0.000 1.245 18 Q HN 0.238 nan 8.270 nan 0.000 0.437 19 T N 2.986 117.533 114.554 -0.011 0.000 2.902 19 T HA 0.109 4.459 4.350 0.000 0.000 0.301 19 T C 1.416 176.108 174.700 -0.012 0.000 1.012 19 T CA 0.240 62.330 62.100 -0.016 0.000 1.151 19 T CB 0.278 69.131 68.868 -0.025 0.000 0.946 19 T HN 0.404 nan 8.240 nan 0.000 0.542 20 L N 1.723 122.938 121.223 -0.014 0.000 2.349 20 L HA 0.513 4.853 4.340 0.000 0.000 0.200 20 L C 1.097 177.957 176.870 -0.016 0.000 1.064 20 L CA 0.143 54.975 54.840 -0.013 0.000 0.821 20 L CB -0.029 42.021 42.059 -0.014 0.000 1.027 20 L HN 0.729 nan 8.230 nan 0.000 0.476 21 A N -0.828 121.979 122.820 -0.022 0.000 2.597 21 A HA 0.799 5.119 4.320 0.000 0.000 0.292 21 A C -1.567 175.992 177.584 -0.042 0.000 1.057 21 A CA 0.067 52.089 52.037 -0.025 0.000 0.674 21 A CB 1.008 19.999 19.000 -0.015 0.000 1.278 21 A HN 0.058 nan 8.150 nan 0.000 0.416 25 W N 1.391 122.691 121.300 -0.001 0.000 2.209 25 W HA 0.462 5.122 4.660 0.000 0.000 0.344 25 W C 0.911 177.409 176.519 -0.036 0.000 1.285 25 W CA -0.456 56.882 57.345 -0.012 0.000 1.267 25 W CB 0.370 29.827 29.460 -0.005 0.000 1.167 25 W HN 0.525 nan 8.180 nan 0.000 0.574 26 A N 3.686 126.635 122.820 0.215 0.000 2.567 26 A HA 0.033 4.353 4.320 0.000 0.000 0.240 26 A C 0.335 177.965 177.584 0.077 0.000 1.053 26 A CA -0.253 51.827 52.037 0.070 0.000 0.755 26 A CB -0.411 18.593 19.000 0.008 0.000 0.978 26 A HN 0.690 nan 8.150 nan 0.000 0.507 27 N N 2.013 120.736 118.700 0.038 0.000 2.418 27 N HA 0.478 5.218 4.740 0.000 0.000 0.283 27 N C 1.060 176.577 175.510 0.012 0.000 1.267 27 N CA 0.065 53.133 53.050 0.030 0.000 0.975 27 N CB 0.260 38.759 38.487 0.020 0.000 1.167 27 N HN 0.511 nan 8.380 nan 0.000 0.581 28 A N -0.833 121.991 122.820 0.008 0.000 1.908 28 A HA -0.263 4.057 4.320 0.000 0.000 0.218 28 A C 2.080 179.665 177.584 0.003 0.000 1.181 28 A CA 1.937 53.975 52.037 0.001 0.000 0.627 28 A CB -1.177 17.823 19.000 0.000 0.000 0.818 28 A HN 0.856 nan 8.150 nan 0.000 0.445 29 Q N -0.507 119.294 119.800 0.002 0.000 2.119 29 Q HA -0.209 4.131 4.340 0.000 0.000 0.201 29 Q C 1.865 177.876 176.000 0.019 0.000 0.972 29 Q CA 1.756 57.563 55.803 0.006 0.000 0.847 29 Q CB -0.125 28.608 28.738 -0.009 0.000 0.903 29 Q HN 0.794 nan 8.270 nan 0.000 0.433 30 E N 0.128 120.330 120.200 0.004 0.000 2.107 30 E HA -0.133 4.217 4.350 0.000 0.000 0.191 30 E C 1.996 178.607 176.600 0.017 0.000 0.982 30 E CA 1.042 57.446 56.400 0.008 0.000 0.809 30 E CB 0.014 29.695 29.700 -0.032 0.000 0.756 30 E HN 0.419 nan 8.360 nan 0.000 0.459 31 I N 1.030 121.598 120.570 -0.005 0.000 2.202 31 I HA -0.249 3.921 4.170 0.000 0.000 0.242 31 I C 2.565 178.671 176.117 -0.018 0.000 1.091 31 I CA 1.071 62.357 61.300 -0.024 0.000 1.368 31 I CB -0.079 37.904 38.000 -0.027 0.000 1.058 31 I HN 0.056 nan 8.210 nan 0.000 0.410 32 E N 0.735 120.937 120.200 0.004 0.000 2.085 32 E HA -0.319 4.031 4.350 0.000 0.000 0.194 32 E C 2.205 178.818 176.600 0.022 0.000 0.994 32 E CA 1.738 58.143 56.400 0.008 0.000 0.801 32 E CB -0.396 29.314 29.700 0.018 0.000 0.743 32 E HN 0.517 nan 8.360 nan 0.000 0.453 33 H N -0.371 118.674 119.070 -0.041 0.000 2.353 33 H HA -0.052 4.504 4.556 0.000 0.000 0.300 33 H C 1.768 177.066 175.328 -0.050 0.000 1.090 33 H CA 1.663 57.687 56.048 -0.040 0.000 1.327 33 H CB -0.088 29.648 29.762 -0.043 0.000 1.383 33 H HN 0.287 nan 8.280 nan 0.000 0.508 34 A N 1.429 124.164 122.820 -0.141 0.000 1.883 34 A HA -0.121 4.199 4.320 0.000 0.000 0.217 34 A C 2.822 180.293 177.584 -0.188 0.000 1.186 34 A CA 1.431 53.345 52.037 -0.204 0.000 0.624 34 A CB -0.882 18.039 19.000 -0.133 0.000 0.822 34 A HN 0.431 nan 8.150 nan 0.000 0.444 35 L N -0.908 120.239 121.223 -0.127 0.000 2.056 35 L HA -0.135 4.205 4.340 0.000 0.000 0.207 35 L C 2.927 179.741 176.870 -0.094 0.000 1.078 35 L CA 1.477 56.256 54.840 -0.102 0.000 0.749 35 L CB -0.459 41.557 42.059 -0.071 0.000 0.901 35 L HN 0.499 nan 8.230 nan 0.000 0.433 36 S N 0.067 115.708 115.700 -0.098 0.000 2.368 36 S HA -0.180 4.291 4.470 0.000 0.000 0.225 36 S C 1.948 176.489 174.600 -0.099 0.000 1.030 36 S CA 1.170 59.327 58.200 -0.072 0.000 0.999 36 S CB -0.176 62.998 63.200 -0.043 0.000 0.844 36 S HN 0.244 nan 8.310 nan 0.000 0.459 37 L N 1.823 122.920 121.223 -0.210 0.000 2.056 37 L HA 0.174 4.514 4.340 0.000 0.000 0.207 37 L C 2.598 179.407 176.870 -0.102 0.000 1.078 37 L CA 1.938 56.661 54.840 -0.195 0.000 0.749 37 L CB -1.294 40.543 42.059 -0.371 0.000 0.901 37 L HN 0.347 nan 8.230 nan 0.000 0.433 38 A N -0.573 122.181 122.820 -0.111 0.000 1.908 38 A HA -0.205 4.115 4.320 0.000 0.000 0.218 38 A C 2.441 180.043 177.584 0.029 0.000 1.181 38 A CA 2.106 54.108 52.037 -0.058 0.000 0.627 38 A CB -1.172 17.770 19.000 -0.096 0.000 0.818 38 A HN 0.546 nan 8.150 nan 0.000 0.445 39 A N 0.103 122.938 122.820 0.024 0.000 1.898 39 A HA -0.065 4.255 4.320 0.000 0.000 0.216 39 A C 2.534 180.204 177.584 0.142 0.000 1.181 39 A CA 2.354 54.453 52.037 0.103 0.000 0.620 39 A CB -0.959 18.074 19.000 0.056 0.000 0.819 39 A HN 1.009 nan 8.150 nan 0.000 0.442 40 S N -0.395 115.347 115.700 0.070 0.000 2.387 40 S HA 0.039 4.509 4.470 0.000 0.000 0.226 40 S C 2.062 176.707 174.600 0.075 0.000 1.026 40 S CA 1.260 59.498 58.200 0.063 0.000 0.972 40 S CB -1.159 62.060 63.200 0.031 0.000 0.814 40 S HN 0.663 nan 8.310 nan 0.000 0.477 41 G N 1.191 110.033 108.800 0.070 0.000 2.446 41 G HA2 -0.199 3.762 3.960 0.000 0.000 0.217 41 G HA3 -0.199 3.762 3.960 0.000 0.000 0.217 41 G C 1.206 176.206 174.900 0.166 0.000 1.168 41 G CA 0.955 46.103 45.100 0.079 0.000 0.771 41 G HN 0.527 nan 8.290 nan 0.000 0.551 42 F N 1.678 121.671 119.950 0.071 0.000 2.126 42 F HA -0.034 4.493 4.527 0.000 0.000 0.299 42 F C 2.534 178.427 175.800 0.155 0.000 1.096 42 F CA 2.068 60.153 58.000 0.142 0.000 1.255 42 F CB -0.237 38.818 39.000 0.092 0.000 0.997 42 F HN 0.157 nan 8.300 nan 0.000 0.479 43 K N 0.292 120.649 120.400 -0.071 0.000 2.103 43 K HA -0.215 4.105 4.320 0.000 0.000 0.207 43 K C 2.029 178.540 176.600 -0.149 0.000 1.048 43 K CA 1.780 57.964 56.287 -0.173 0.000 0.930 43 K CB -0.059 32.438 32.500 -0.005 0.000 0.716 43 K HN 0.312 nan 8.250 nan 0.000 0.444 44 K N -0.603 119.780 120.400 -0.029 0.000 2.067 44 K HA -0.104 4.216 4.320 0.000 0.000 0.203 44 K C 1.920 178.559 176.600 0.065 0.000 1.048 44 K CA 1.011 57.311 56.287 0.022 0.000 0.954 44 K CB -0.308 32.239 32.500 0.079 0.000 0.737 44 K HN 0.332 nan 8.250 nan 0.000 0.444 45 W N 4.784 126.020 121.300 -0.108 0.000 2.363 45 W HA -0.164 4.497 4.660 0.000 0.000 0.296 45 W C 0.671 177.122 176.519 -0.114 0.000 1.212 45 W CA 1.142 58.449 57.345 -0.063 0.000 1.260 45 W CB 0.192 29.665 29.460 0.021 0.000 1.131 45 W HN 0.003 nan 8.180 nan 0.000 0.530 49 S N 0.453 116.043 115.700 -0.182 0.000 2.592 49 S HA 0.443 4.913 4.470 0.000 0.000 0.271 49 S C 1.534 176.024 174.600 -0.183 0.000 1.326 49 S CA -0.282 57.831 58.200 -0.145 0.000 1.024 49 S CB 0.981 64.124 63.200 -0.095 0.000 0.921 49 S HN 0.869 nan 8.310 nan 0.000 0.527 50 V N 2.219 122.052 119.914 -0.134 0.000 2.392 50 V HA -0.215 3.906 4.120 0.000 0.000 0.249 50 V C 2.930 178.965 176.094 -0.098 0.000 1.059 50 V CA 2.324 64.552 62.300 -0.119 0.000 1.051 50 V CB -1.833 29.953 31.823 -0.062 0.000 0.658 50 V HN 1.033 nan 8.190 nan 0.000 0.455 51 A N -0.765 122.007 122.820 -0.079 0.000 1.908 51 A HA -0.310 4.010 4.320 0.000 0.000 0.218 51 A C 2.200 179.750 177.584 -0.056 0.000 1.181 51 A CA 2.081 54.083 52.037 -0.058 0.000 0.627 51 A CB -0.466 18.506 19.000 -0.047 0.000 0.818 51 A HN 0.632 nan 8.150 nan 0.000 0.445 52 Q N -0.812 118.938 119.800 -0.084 0.000 2.084 52 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 52 Q C 2.392 178.351 176.000 -0.067 0.000 0.978 52 Q CA 1.451 57.211 55.803 -0.071 0.000 0.844 52 Q CB -0.181 28.494 28.738 -0.105 0.000 0.898 52 Q HN 0.624 nan 8.270 nan 0.000 0.426 53 R N 0.213 120.600 120.500 -0.188 0.000 2.081 53 R HA -0.075 4.265 4.340 0.000 0.000 0.235 53 R C 2.282 178.620 176.300 0.064 0.000 1.131 53 R CA 1.115 57.135 56.100 -0.133 0.000 0.960 53 R CB -0.384 29.710 30.300 -0.342 0.000 0.856 53 R HN 0.191 nan 8.270 nan 0.000 0.436 54 A N 1.111 123.939 122.820 0.015 0.000 1.933 54 A HA -0.240 4.080 4.320 0.000 0.000 0.218 54 A C 2.144 179.760 177.584 0.053 0.000 1.175 54 A CA 1.450 53.512 52.037 0.041 0.000 0.628 54 A CB -0.381 18.622 19.000 0.004 0.000 0.814 54 A HN 0.204 nan 8.150 nan 0.000 0.444 55 Q N -0.247 119.577 119.800 0.041 0.000 2.124 55 Q HA -0.107 4.234 4.340 0.000 0.000 0.202 55 Q C 1.958 178.008 176.000 0.082 0.000 0.977 55 Q CA 2.461 58.293 55.803 0.048 0.000 0.850 55 Q CB -0.931 27.828 28.738 0.035 0.000 0.901 55 Q HN 0.560 nan 8.270 nan 0.000 0.429 56 T N 0.993 115.626 114.554 0.132 0.000 2.746 56 T HA -0.106 4.244 4.350 0.000 0.000 0.267 56 T C 1.678 176.455 174.700 0.128 0.000 1.039 56 T CA 1.333 63.535 62.100 0.171 0.000 1.142 56 T CB -0.265 68.809 68.868 0.343 0.000 0.866 56 T HN 0.240 nan 8.240 nan 0.000 0.444 57 L N 0.488 121.792 121.223 0.135 0.000 2.012 57 L HA -0.166 4.174 4.340 0.000 0.000 0.210 57 L C 2.904 179.824 176.870 0.083 0.000 1.073 57 L CA 1.582 56.486 54.840 0.106 0.000 0.748 57 L CB -0.564 41.572 42.059 0.128 0.000 0.891 57 L HN 0.213 nan 8.230 nan 0.000 0.431 58 R N -0.072 120.473 120.500 0.075 0.000 2.091 58 R HA -0.169 4.171 4.340 0.000 0.000 0.238 58 R C 1.909 178.240 176.300 0.052 0.000 1.136 58 R CA 1.622 57.757 56.100 0.059 0.000 0.959 58 R CB -0.471 29.855 30.300 0.043 0.000 0.856 58 R HN 0.397 nan 8.270 nan 0.000 0.437 59 D N 0.643 121.075 120.400 0.053 0.000 2.144 59 D HA -0.120 4.520 4.640 0.000 0.000 0.199 59 D C 1.905 178.228 176.300 0.038 0.000 0.984 59 D CA 1.065 55.092 54.000 0.046 0.000 0.834 59 D CB -0.136 40.696 40.800 0.053 0.000 0.955 59 D HN 0.245 nan 8.370 nan 0.000 0.465 60 I N 0.880 121.469 120.570 0.032 0.000 2.252 60 I HA -0.136 4.034 4.170 0.000 0.000 0.245 60 I C 2.567 178.697 176.117 0.021 0.000 1.102 60 I CA 1.212 62.515 61.300 0.005 0.000 1.385 60 I CB -0.467 37.517 38.000 -0.027 0.000 1.064 60 I HN 0.009 nan 8.210 nan 0.000 0.414 61 G N 0.002 108.826 108.800 0.041 0.000 2.440 61 G HA2 -0.336 3.625 3.960 0.000 0.000 0.218 61 G HA3 -0.336 3.625 3.960 0.000 0.000 0.218 61 G C 1.563 176.490 174.900 0.046 0.000 1.154 61 G CA 0.875 46.007 45.100 0.053 0.000 0.767 61 G HN 0.407 nan 8.290 nan 0.000 0.552 62 Q N 0.080 119.905 119.800 0.040 0.000 2.050 62 Q HA 0.010 4.351 4.340 0.000 0.000 0.202 62 Q C 2.800 178.821 176.000 0.035 0.000 0.980 62 Q CA 1.634 57.456 55.803 0.032 0.000 0.840 62 Q CB -0.321 28.434 28.738 0.028 0.000 0.898 62 Q HN 0.410 nan 8.270 nan 0.000 0.424 63 A N 0.515 123.368 122.820 0.054 0.000 1.930 63 A HA -0.153 4.167 4.320 0.000 0.000 0.217 63 A C 1.967 179.640 177.584 0.149 0.000 1.175 63 A CA 1.214 53.315 52.037 0.107 0.000 0.627 63 A CB -0.705 18.355 19.000 0.100 0.000 0.815 63 A HN 0.488 nan 8.150 nan 0.000 0.443 64 L N 0.018 121.292 121.223 0.086 0.000 2.017 64 L HA -0.134 4.206 4.340 0.000 0.000 0.208 64 L C 2.441 179.357 176.870 0.075 0.000 1.073 64 L CA 1.965 56.855 54.840 0.083 0.000 0.745 64 L CB -0.543 41.546 42.059 0.050 0.000 0.894 64 L HN 0.336 nan 8.230 nan 0.000 0.432 65 R N -0.589 119.938 120.500 0.045 0.000 2.120 65 R HA -0.068 4.272 4.340 0.000 0.000 0.234 65 R C 2.138 178.427 176.300 -0.019 0.000 1.123 65 R CA 1.068 57.180 56.100 0.021 0.000 0.975 65 R CB -0.594 29.716 30.300 0.017 0.000 0.866 65 R HN 0.522 nan 8.270 nan 0.000 0.446 66 A N 0.485 123.270 122.820 -0.058 0.000 2.067 66 A HA -0.120 4.201 4.320 0.000 0.000 0.219 66 A C 0.975 178.328 177.584 -0.384 0.000 1.158 66 A CA 1.047 52.958 52.037 -0.210 0.000 0.661 66 A CB -0.151 18.693 19.000 -0.260 0.000 0.801 66 A HN 0.310 nan 8.150 nan 0.000 0.452 67 H N -1.634 117.440 119.070 0.006 0.000 2.475 67 H HA 0.452 5.008 4.556 0.000 0.000 0.276 67 H C 1.746 177.078 175.328 0.006 0.000 1.126 67 H CA 0.390 56.441 56.048 0.005 0.000 1.023 67 H CB 0.107 29.869 29.762 0.001 0.000 1.669 67 H HN 0.494 nan 8.280 nan 0.000 0.573 68 A N 0.984 123.843 122.820 0.065 0.000 1.902 68 A HA -0.199 4.121 4.320 0.000 0.000 0.217 68 A C 2.299 179.912 177.584 0.049 0.000 1.181 68 A CA 1.930 54.000 52.037 0.055 0.000 0.623 68 A CB 0.001 19.019 19.000 0.031 0.000 0.818 68 A HN 0.302 nan 8.150 nan 0.000 0.443 69 E N 0.584 120.806 120.200 0.037 0.000 2.107 69 E HA -0.063 4.287 4.350 0.000 0.000 0.191 69 E C 1.218 177.841 176.600 0.038 0.000 0.982 69 E CA 0.848 57.266 56.400 0.030 0.000 0.809 69 E CB -0.195 29.517 29.700 0.019 0.000 0.756 69 E HN 0.700 nan 8.360 nan 0.000 0.459 73 Q N -0.146 119.664 119.800 0.017 0.000 2.084 73 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 73 Q C 2.201 178.204 176.000 0.004 0.000 0.978 73 Q CA 1.808 57.617 55.803 0.009 0.000 0.844 73 Q CB -0.715 28.030 28.738 0.012 0.000 0.898 73 Q HN 0.773 nan 8.270 nan 0.000 0.426 74 C N 0.416 119.719 119.300 0.005 0.000 2.429 74 C HA -0.110 4.350 4.460 0.000 0.000 0.277 74 C C 2.744 177.729 174.990 -0.008 0.000 1.262 74 C CA 0.312 59.326 59.018 -0.005 0.000 1.733 74 C CB -1.079 26.654 27.740 -0.010 0.000 2.010 74 C HN 0.447 nan 8.230 nan 0.000 0.483 75 I N 0.367 120.939 120.570 0.004 0.000 2.142 75 I HA -0.205 3.965 4.170 0.000 0.000 0.240 75 I C 2.666 178.778 176.117 -0.007 0.000 1.078 75 I CA 2.180 63.485 61.300 0.009 0.000 1.343 75 I CB -0.892 37.126 38.000 0.030 0.000 1.046 75 I HN 0.321 nan 8.210 nan 0.000 0.405 76 T N 0.151 114.699 114.554 -0.010 0.000 2.708 76 T HA -0.234 4.116 4.350 0.000 0.000 0.266 76 T C 2.018 176.699 174.700 -0.032 0.000 1.037 76 T CA 1.496 63.583 62.100 -0.022 0.000 1.146 76 T CB -0.305 68.555 68.868 -0.014 0.000 0.865 76 T HN 0.282 nan 8.240 nan 0.000 0.435 77 R N 0.997 121.483 120.500 -0.023 0.000 2.081 77 R HA -0.029 4.311 4.340 0.000 0.000 0.235 77 R C 1.072 177.349 176.300 -0.039 0.000 1.131 77 R CA 1.121 57.205 56.100 -0.025 0.000 0.960 77 R CB 0.051 30.341 30.300 -0.016 0.000 0.856 77 R HN 0.489 nan 8.270 nan 0.000 0.436 81 K N 1.773 122.129 120.400 -0.073 0.000 2.484 81 K HA 0.257 4.577 4.320 0.000 0.000 0.280 81 K C -2.268 174.307 176.600 -0.042 0.000 1.013 81 K CA -1.056 55.191 56.287 -0.067 0.000 1.029 81 K CB 0.479 32.930 32.500 -0.081 0.000 0.902 81 K HN -0.061 nan 8.250 nan 0.000 0.481 82 P HA -0.132 nan 4.420 nan 0.000 0.261 82 P C 0.453 177.745 177.300 -0.014 0.000 1.173 82 P CA 0.127 63.219 63.100 -0.013 0.000 0.760 82 P CB 0.384 32.079 31.700 -0.009 0.000 0.783 83 I N 4.902 125.468 120.570 -0.007 0.000 2.248 83 I HA -0.272 3.898 4.170 0.000 0.000 0.248 83 I C 2.087 178.202 176.117 -0.004 0.000 1.107 83 I CA 1.793 63.091 61.300 -0.004 0.000 1.373 83 I CB -0.370 37.630 38.000 -0.001 0.000 1.055 83 I HN 0.325 nan 8.210 nan 0.000 0.418 84 K N -0.089 120.307 120.400 -0.006 0.000 2.063 84 K HA -0.259 4.061 4.320 0.000 0.000 0.208 84 K C 2.085 178.681 176.600 -0.006 0.000 1.048 84 K CA 1.944 58.227 56.287 -0.007 0.000 0.928 84 K CB -0.164 32.330 32.500 -0.011 0.000 0.713 84 K HN 0.514 nan 8.250 nan 0.000 0.442 85 Q N -0.582 119.213 119.800 -0.008 0.000 2.137 85 Q HA -0.025 4.315 4.340 0.000 0.000 0.198 85 Q C 2.102 178.105 176.000 0.005 0.000 0.960 85 Q CA 0.994 56.795 55.803 -0.004 0.000 0.847 85 Q CB 0.022 28.750 28.738 -0.016 0.000 0.915 85 Q HN 0.417 nan 8.270 nan 0.000 0.448 86 A N 1.383 124.203 122.820 -0.000 0.000 1.902 86 A HA -0.201 4.119 4.320 0.000 0.000 0.217 86 A C 1.988 179.591 177.584 0.031 0.000 1.181 86 A CA 1.272 53.319 52.037 0.017 0.000 0.623 86 A CB -0.329 18.676 19.000 0.008 0.000 0.818 86 A HN 0.194 nan 8.150 nan 0.000 0.443 87 R N -0.462 120.048 120.500 0.018 0.000 2.081 87 R HA -0.053 4.288 4.340 0.000 0.000 0.235 87 R C 2.457 178.766 176.300 0.016 0.000 1.131 87 R CA 1.208 57.319 56.100 0.018 0.000 0.960 87 R CB -0.479 29.826 30.300 0.008 0.000 0.856 87 R HN 0.501 nan 8.270 nan 0.000 0.436 88 A N 1.116 123.939 122.820 0.005 0.000 1.933 88 A HA -0.236 4.084 4.320 0.000 0.000 0.218 88 A C 2.055 179.631 177.584 -0.013 0.000 1.175 88 A CA 1.570 53.599 52.037 -0.014 0.000 0.628 88 A CB -0.436 18.547 19.000 -0.027 0.000 0.814 88 A HN 0.443 nan 8.150 nan 0.000 0.444 89 E N -0.123 120.098 120.200 0.035 0.000 2.077 89 E HA -0.139 4.211 4.350 0.000 0.000 0.193 89 E C 1.850 178.511 176.600 0.102 0.000 0.989 89 E CA 1.499 57.951 56.400 0.087 0.000 0.800 89 E CB -0.137 29.688 29.700 0.209 0.000 0.746 89 E HN 0.330 nan 8.360 nan 0.000 0.452 90 V N 0.875 120.840 119.914 0.086 0.000 2.343 90 V HA -0.261 3.859 4.120 0.000 0.000 0.247 90 V C 2.406 178.542 176.094 0.070 0.000 1.051 90 V CA 2.192 64.544 62.300 0.086 0.000 1.036 90 V CB -0.837 31.026 31.823 0.065 0.000 0.654 90 V HN 0.384 nan 8.190 nan 0.000 0.451 91 T N -0.441 114.136 114.554 0.038 0.000 2.684 91 T HA -0.269 4.081 4.350 0.000 0.000 0.267 91 T C 1.963 176.679 174.700 0.025 0.000 1.036 91 T CA 1.964 64.079 62.100 0.024 0.000 1.148 91 T CB -0.220 68.647 68.868 -0.001 0.000 0.863 91 T HN 0.449 nan 8.240 nan 0.000 0.436 92 K N 0.729 121.118 120.400 -0.018 0.000 2.057 92 K HA -0.081 4.239 4.320 0.000 0.000 0.207 92 K C 2.575 179.252 176.600 0.128 0.000 1.049 92 K CA 1.385 57.629 56.287 -0.072 0.000 0.931 92 K CB -0.143 32.146 32.500 -0.351 0.000 0.714 92 K HN 0.178 nan 8.250 nan 0.000 0.440 93 S N 0.623 116.468 115.700 0.242 0.000 2.368 93 S HA -0.148 4.322 4.470 0.000 0.000 0.225 93 S C 2.038 176.764 174.600 0.209 0.000 1.030 93 S CA 1.234 59.645 58.200 0.350 0.000 0.999 93 S CB -0.276 63.094 63.200 0.284 0.000 0.844 93 S HN 0.523 nan 8.310 nan 0.000 0.459 94 A N 1.535 124.440 122.820 0.142 0.000 1.933 94 A HA 0.143 4.463 4.320 0.000 0.000 0.218 94 A C 2.346 180.011 177.584 0.134 0.000 1.175 94 A CA 1.631 53.736 52.037 0.112 0.000 0.628 94 A CB -1.027 18.021 19.000 0.080 0.000 0.814 94 A HN 0.514 nan 8.150 nan 0.000 0.444 95 A N -0.553 122.349 122.820 0.136 0.000 1.972 95 A HA -0.016 4.304 4.320 0.000 0.000 0.219 95 A C 2.106 179.828 177.584 0.229 0.000 1.169 95 A CA 1.614 53.741 52.037 0.151 0.000 0.635 95 A CB -0.558 18.504 19.000 0.103 0.000 0.810 95 A HN 0.660 nan 8.150 nan 0.000 0.446 96 L N -0.207 121.173 121.223 0.262 0.000 2.046 96 L HA -0.187 4.153 4.340 0.000 0.000 0.208 96 L C 2.466 179.562 176.870 0.377 0.000 1.077 96 L CA 2.206 57.251 54.840 0.342 0.000 0.747 96 L CB -0.740 41.543 42.059 0.374 0.000 0.896 96 L HN 0.471 nan 8.230 nan 0.000 0.432 97 C N -0.097 119.358 119.300 0.259 0.000 2.413 97 C HA -0.183 4.277 4.460 0.000 0.000 0.276 97 C C 2.392 177.517 174.990 0.226 0.000 1.236 97 C CA 1.013 60.159 59.018 0.213 0.000 1.735 97 C CB -1.175 26.641 27.740 0.126 0.000 2.031 97 C HN 0.601 nan 8.230 nan 0.000 0.474 98 D N -1.142 119.378 120.400 0.200 0.000 2.144 98 D HA -0.140 4.500 4.640 0.000 0.000 0.200 98 D C 1.734 178.144 176.300 0.183 0.000 0.978 98 D CA 1.061 55.155 54.000 0.156 0.000 0.833 98 D CB -0.441 40.435 40.800 0.126 0.000 0.961 98 D HN 0.753 nan 8.370 nan 0.000 0.470 99 W N 0.859 122.215 121.300 0.095 0.000 2.335 99 W HA -0.241 4.419 4.660 0.000 0.000 0.311 99 W C 2.115 178.673 176.519 0.064 0.000 1.213 99 W CA 1.429 58.828 57.345 0.089 0.000 1.274 99 W CB -0.628 28.843 29.460 0.018 0.000 1.148 99 W HN -0.020 nan 8.180 nan 0.000 0.498 100 Y N -0.095 120.438 120.300 0.388 0.000 2.293 100 Y HA -0.173 4.377 4.550 0.000 0.000 0.291 100 Y C 2.552 178.452 175.900 0.000 0.000 1.137 100 Y CA 1.616 59.830 58.100 0.190 0.000 1.202 100 Y CB -0.958 37.654 38.460 0.252 0.000 0.990 100 Y HN 0.030 nan 8.280 nan 0.000 0.537 101 A N -0.166 122.742 122.820 0.147 0.000 1.933 101 A HA -0.245 4.075 4.320 0.000 0.000 0.218 101 A C 1.993 179.517 177.584 -0.099 0.000 1.175 101 A CA 2.061 54.121 52.037 0.038 0.000 0.628 101 A CB -0.484 18.542 19.000 0.042 0.000 0.814 101 A HN 0.421 nan 8.150 nan 0.000 0.444 102 E N -0.907 119.152 120.200 -0.235 0.000 2.051 102 E HA -0.107 4.243 4.350 0.000 0.000 0.189 102 E C 1.783 177.984 176.600 -0.665 0.000 0.979 102 E CA 1.372 57.479 56.400 -0.488 0.000 0.803 102 E CB -0.171 29.119 29.700 -0.685 0.000 0.761 102 E HN 0.719 nan 8.360 nan 0.000 0.451 103 H N -1.815 116.932 119.070 -0.539 0.000 2.654 103 H HA 0.283 4.839 4.556 0.000 0.000 0.264 103 H C 1.699 176.814 175.328 -0.356 0.000 0.954 103 H CA 0.683 56.364 56.048 -0.612 0.000 1.199 103 H CB 0.506 29.506 29.762 -1.271 0.000 1.446 103 H HN 0.291 nan 8.280 nan 0.000 0.516 104 G N 2.352 111.097 108.800 -0.092 0.000 2.404 104 G HA2 -0.149 3.811 3.960 0.000 0.000 0.215 104 G HA3 -0.149 3.811 3.960 0.000 0.000 0.215 104 G C -0.601 174.322 174.900 0.038 0.000 1.174 104 G CA 0.186 45.357 45.100 0.118 0.000 0.780 104 G HN 0.314 nan 8.290 nan 0.000 0.537 105 P HA 0.005 nan 4.420 nan 0.000 0.216 105 P C 1.384 178.675 177.300 -0.016 0.000 1.153 105 P CA 1.516 64.607 63.100 -0.014 0.000 0.858 105 P CB -0.069 31.607 31.700 -0.041 0.000 0.789 109 N N 3.317 122.065 118.700 0.079 0.000 2.454 109 N HA 0.191 4.931 4.740 0.000 0.000 0.254 109 N C -2.212 173.382 175.510 0.141 0.000 1.228 109 N CA -0.739 52.358 53.050 0.078 0.000 0.900 109 N CB 0.307 38.816 38.487 0.036 0.000 1.089 109 N HN 0.003 nan 8.380 nan 0.000 0.449 110 P HA 0.077 nan 4.420 nan 0.000 0.269 110 P C -0.537 176.796 177.300 0.055 0.000 1.209 110 P CA 0.131 63.274 63.100 0.071 0.000 0.776 110 P CB 0.824 32.531 31.700 0.013 0.000 0.876 111 E N 3.187 123.406 120.200 0.032 0.000 2.227 111 E HA 0.261 4.612 4.350 0.000 0.000 0.282 111 E C -1.926 174.647 176.600 -0.046 0.000 1.015 111 E CA -2.019 54.386 56.400 0.008 0.000 0.823 111 E CB 0.619 30.322 29.700 0.005 0.000 1.081 111 E HN 0.399 nan 8.360 nan 0.000 0.396 112 P HA -0.012 nan 4.420 nan 0.000 0.272 112 P C -0.422 176.820 177.300 -0.096 0.000 1.240 112 P CA -0.171 62.885 63.100 -0.072 0.000 0.791 112 P CB 0.775 32.441 31.700 -0.056 0.000 0.978 113 T N -2.587 111.887 114.554 -0.134 0.000 2.864 113 T HA 0.407 4.757 4.350 0.000 0.000 0.289 113 T C 1.013 175.622 174.700 -0.152 0.000 1.082 113 T CA -0.871 61.133 62.100 -0.160 0.000 1.009 113 T CB 0.569 69.288 68.868 -0.247 0.000 1.234 113 T HN 0.142 nan 8.240 nan 0.000 0.526 114 L N 0.960 122.097 121.223 -0.143 0.000 2.610 114 L HA 0.198 4.538 4.340 0.000 0.000 0.232 114 L C 0.642 177.429 176.870 -0.137 0.000 1.149 114 L CA -0.151 54.621 54.840 -0.113 0.000 0.872 114 L CB -0.156 41.856 42.059 -0.078 0.000 0.992 114 L HN 0.483 nan 8.230 nan 0.000 0.447 115 V N 1.145 120.918 119.914 -0.236 0.000 2.617 115 V HA -0.095 4.025 4.120 0.000 0.000 0.304 115 V C 0.888 176.892 176.094 -0.149 0.000 1.040 115 V CA -0.082 62.056 62.300 -0.270 0.000 1.149 115 V CB 0.349 31.785 31.823 -0.646 0.000 0.914 115 V HN 0.291 nan 8.190 nan 0.000 0.487 116 E N 4.787 124.953 120.200 -0.057 0.000 2.437 116 E HA 0.007 4.357 4.350 0.000 0.000 0.263 116 E C 0.532 177.120 176.600 -0.020 0.000 1.030 116 E CA 0.057 56.444 56.400 -0.022 0.000 0.934 116 E CB 0.021 29.730 29.700 0.016 0.000 0.943 116 E HN 0.712 nan 8.360 nan 0.000 0.444 117 N N 2.648 121.338 118.700 -0.018 0.000 2.735 117 N HA -0.229 4.511 4.740 0.000 0.000 0.248 117 N C -0.779 174.718 175.510 -0.022 0.000 1.083 117 N CA 1.119 54.163 53.050 -0.011 0.000 0.703 117 N CB -1.058 37.435 38.487 0.010 0.000 1.005 117 N HN 0.567 nan 8.380 nan 0.000 0.550 118 Q N -2.087 117.683 119.800 -0.049 0.000 2.457 118 Q HA -0.249 4.091 4.340 0.000 0.000 0.283 118 Q C 0.852 176.814 176.000 -0.064 0.000 1.234 118 Q CA 1.238 57.004 55.803 -0.062 0.000 0.877 118 Q CB -1.153 27.561 28.738 -0.039 0.000 1.250 118 Q HN 0.513 nan 8.270 nan 0.000 0.481 119 Q N -1.447 118.305 119.800 -0.080 0.000 2.424 119 Q HA 0.357 4.697 4.340 0.000 0.000 0.204 119 Q C 0.256 176.167 176.000 -0.148 0.000 0.933 119 Q CA 1.157 56.938 55.803 -0.036 0.000 0.929 119 Q CB 0.753 29.545 28.738 0.090 0.000 1.037 119 Q HN 0.511 nan 8.270 nan 0.000 0.511 120 A N 0.519 123.135 122.820 -0.340 0.000 2.393 120 A HA 0.658 4.978 4.320 0.000 0.000 0.306 120 A C -0.434 176.993 177.584 -0.261 0.000 1.050 120 A CA -0.638 51.150 52.037 -0.416 0.000 0.724 120 A CB 1.550 19.972 19.000 -0.964 0.000 1.248 120 A HN 0.001 nan 8.150 nan 0.000 0.424 121 V N -0.312 119.502 119.914 -0.168 0.000 3.102 121 V HA 0.785 4.905 4.120 0.000 0.000 0.312 121 V C -0.896 175.117 176.094 -0.136 0.000 1.135 121 V CA -1.060 61.160 62.300 -0.133 0.000 1.022 121 V CB 1.873 33.646 31.823 -0.083 0.000 1.056 121 V HN 0.651 nan 8.190 nan 0.000 0.436 122 I N 2.000 122.477 120.570 -0.155 0.000 2.354 122 I HA 0.607 4.777 4.170 0.000 0.000 0.292 122 I C 0.014 175.966 176.117 -0.276 0.000 0.989 122 I CA -0.241 60.919 61.300 -0.233 0.000 1.188 122 I CB 1.279 39.102 38.000 -0.296 0.000 1.342 122 I HN 0.786 nan 8.210 nan 0.000 0.457 123 E N 5.267 125.302 120.200 -0.275 0.000 2.212 123 E HA 0.370 4.720 4.350 0.000 0.000 0.270 123 E C -1.412 174.988 176.600 -0.334 0.000 0.956 123 E CA -0.663 55.620 56.400 -0.195 0.000 0.825 123 E CB 2.248 31.905 29.700 -0.073 0.000 1.167 123 E HN 0.312 nan 8.360 nan 0.000 0.400 124 Y N 1.789 122.078 120.300 -0.018 0.000 2.593 124 Y HA 0.224 4.774 4.550 0.000 0.000 0.331 124 Y C 0.469 176.399 175.900 0.049 0.000 0.986 124 Y CA -0.696 57.404 58.100 -0.001 0.000 1.262 124 Y CB 0.639 39.097 38.460 -0.003 0.000 1.098 124 Y HN -0.004 nan 8.280 nan 0.000 0.506 125 R N 2.840 123.422 120.500 0.137 0.000 2.500 125 R HA 0.408 4.748 4.340 0.000 0.000 0.277 125 R C -2.740 173.679 176.300 0.197 0.000 1.026 125 R CA -2.558 53.626 56.100 0.139 0.000 1.058 125 R CB 0.158 30.517 30.300 0.100 0.000 1.078 125 R HN 0.317 nan 8.270 nan 0.000 0.509 126 P HA -0.044 nan 4.420 nan 0.000 0.266 126 P C 0.479 177.969 177.300 0.318 0.000 1.195 126 P CA -0.033 63.267 63.100 0.332 0.000 0.768 126 P CB 0.535 32.505 31.700 0.450 0.000 0.838 127 L N 2.454 123.814 121.223 0.228 0.000 2.200 127 L HA 0.390 4.730 4.340 0.000 0.000 0.200 127 L C 1.184 177.947 176.870 -0.179 0.000 1.072 127 L CA 2.245 57.143 54.840 0.095 0.000 0.787 127 L CB -0.801 41.331 42.059 0.122 0.000 0.957 127 L HN 0.711 nan 8.230 nan 0.000 0.459 128 G N -1.846 106.607 108.800 -0.578 0.000 2.439 128 G HA2 0.100 4.060 3.960 0.000 0.000 0.186 128 G HA3 0.100 4.060 3.960 0.000 0.000 0.186 128 G C -1.488 172.883 174.900 -0.882 0.000 1.260 128 G CA -0.240 43.981 45.100 -1.464 0.000 1.020 128 G HN -0.090 nan 8.290 nan 0.000 0.470 129 V N 2.085 121.661 119.914 -0.564 0.000 2.461 129 V HA 0.486 4.606 4.120 0.000 0.000 0.275 129 V C 0.044 175.982 176.094 -0.260 0.000 1.047 129 V CA -0.500 61.621 62.300 -0.299 0.000 0.955 129 V CB 1.172 32.870 31.823 -0.208 0.000 0.988 129 V HN 0.489 nan 8.190 nan 0.000 0.471 130 I N 5.841 126.248 120.570 -0.272 0.000 2.321 130 I HA 0.320 4.490 4.170 0.000 0.000 0.291 130 I C -0.164 175.695 176.117 -0.429 0.000 0.998 130 I CA -0.863 60.215 61.300 -0.371 0.000 1.227 130 I CB 1.249 38.925 38.000 -0.541 0.000 1.368 130 I HN 0.442 nan 8.210 nan 0.000 0.466 131 L N 6.717 127.727 121.223 -0.355 0.000 2.319 131 L HA 0.613 4.953 4.340 0.000 0.000 0.280 131 L C 0.128 176.753 176.870 -0.408 0.000 1.099 131 L CA 0.163 54.794 54.840 -0.348 0.000 0.828 131 L CB 0.753 42.683 42.059 -0.215 0.000 1.150 131 L HN 0.731 nan 8.230 nan 0.000 0.442 132 A N 6.216 128.726 122.820 -0.517 0.000 2.331 132 A HA 0.798 5.118 4.320 0.000 0.000 0.320 132 A C -0.644 176.792 177.584 -0.247 0.000 1.138 132 A CA -0.504 51.263 52.037 -0.450 0.000 0.790 132 A CB 0.601 19.136 19.000 -0.774 0.000 1.206 132 A HN 0.696 nan 8.150 nan 0.000 0.470 136 W N 0.928 122.343 121.300 0.191 0.000 3.197 136 W HA 0.029 4.689 4.660 0.000 0.000 0.274 136 W C 0.806 177.394 176.519 0.115 0.000 1.297 136 W CA 0.697 58.111 57.345 0.115 0.000 1.662 136 W CB -0.941 28.548 29.460 0.049 0.000 1.106 136 W HN 0.374 nan 8.180 nan 0.000 0.663 137 N N 1.917 120.469 118.700 -0.246 0.000 2.270 137 N HA -0.158 4.582 4.740 0.000 0.000 0.181 137 N C -0.246 175.153 175.510 -0.185 0.000 1.016 137 N CA 0.700 53.642 53.050 -0.179 0.000 0.870 137 N CB -1.086 37.169 38.487 -0.387 0.000 0.979 137 N HN 0.086 nan 8.380 nan 0.000 0.431 138 F N 0.279 120.304 119.950 0.125 0.000 2.686 138 F HA 0.432 4.959 4.527 0.000 0.000 0.365 138 F C -1.790 174.140 175.800 0.216 0.000 1.196 138 F CA -2.084 56.029 58.000 0.188 0.000 1.198 138 F CB 2.218 41.379 39.000 0.268 0.000 1.454 138 F HN -0.142 nan 8.300 nan 0.000 0.539 139 P HA -0.149 nan 4.420 nan 0.000 0.222 139 P C 1.492 179.011 177.300 0.366 0.000 1.147 139 P CA 0.923 64.231 63.100 0.346 0.000 0.790 139 P CB 0.596 32.379 31.700 0.139 0.000 0.780 140 L N -1.969 119.424 121.223 0.283 0.000 2.347 140 L HA 0.221 4.561 4.340 0.000 0.000 0.196 140 L C 2.227 179.221 176.870 0.206 0.000 1.072 140 L CA 0.876 55.841 54.840 0.209 0.000 0.817 140 L CB -1.345 40.818 42.059 0.174 0.000 1.029 140 L HN -0.051 nan 8.230 nan 0.000 0.478 141 W N 0.651 122.022 121.300 0.117 0.000 2.338 141 W HA -0.214 4.446 4.660 0.000 0.000 0.304 141 W C 1.949 178.460 176.519 -0.013 0.000 1.212 141 W CA 1.614 58.977 57.345 0.030 0.000 1.264 141 W CB -0.086 29.368 29.460 -0.009 0.000 1.142 141 W HN 0.334 nan 8.180 nan 0.000 0.512 142 Q N 0.497 120.256 119.800 -0.069 0.000 2.124 142 Q HA -0.164 4.177 4.340 0.000 0.000 0.202 142 Q C 2.328 178.195 176.000 -0.222 0.000 0.977 142 Q CA 1.746 57.423 55.803 -0.211 0.000 0.850 142 Q CB -1.091 27.663 28.738 0.026 0.000 0.901 142 Q HN 0.298 nan 8.270 nan 0.000 0.429 143 V N 1.384 121.222 119.914 -0.126 0.000 2.237 143 V HA -0.237 3.883 4.120 0.000 0.000 0.245 143 V C 2.434 178.378 176.094 -0.249 0.000 1.046 143 V CA 1.507 63.740 62.300 -0.111 0.000 1.007 143 V CB -0.626 31.168 31.823 -0.048 0.000 0.638 143 V HN 0.277 nan 8.190 nan 0.000 0.445 144 L N -0.476 120.584 121.223 -0.271 0.000 2.201 144 L HA -0.126 4.214 4.340 0.000 0.000 0.212 144 L C 2.694 179.315 176.870 -0.415 0.000 1.105 144 L CA 1.320 55.974 54.840 -0.310 0.000 0.775 144 L CB -0.650 41.305 42.059 -0.173 0.000 0.913 144 L HN 0.309 nan 8.230 nan 0.000 0.440 145 R N 0.402 120.496 120.500 -0.676 0.000 2.103 145 R HA -0.182 4.159 4.340 0.000 0.000 0.242 145 R C 2.111 178.192 176.300 -0.365 0.000 1.142 145 R CA 1.816 57.440 56.100 -0.793 0.000 0.960 145 R CB -0.273 29.358 30.300 -1.115 0.000 0.858 145 R HN 0.396 nan 8.270 nan 0.000 0.439 146 G N -0.990 107.652 108.800 -0.263 0.000 2.490 146 G HA2 -0.033 3.927 3.960 0.000 0.000 0.211 146 G HA3 -0.033 3.927 3.960 0.000 0.000 0.211 146 G C 1.437 176.238 174.900 -0.165 0.000 1.159 146 G CA 0.394 45.439 45.100 -0.092 0.000 0.819 146 G HN 0.417 nan 8.290 nan 0.000 0.539 147 A N 0.489 123.052 122.820 -0.430 0.000 1.933 147 A HA 0.072 4.392 4.320 0.000 0.000 0.218 147 A C 2.565 179.950 177.584 -0.332 0.000 1.175 147 A CA 1.798 53.401 52.037 -0.723 0.000 0.628 147 A CB -0.657 17.658 19.000 -1.141 0.000 0.814 147 A HN 0.226 nan 8.150 nan 0.000 0.444 148 V N 1.116 120.862 119.914 -0.280 0.000 2.233 148 V HA -0.169 3.951 4.120 0.000 0.000 0.247 148 V C -0.019 175.907 176.094 -0.280 0.000 1.050 148 V CA 2.564 64.744 62.300 -0.200 0.000 1.010 148 V CB -1.490 30.270 31.823 -0.106 0.000 0.637 148 V HN 0.469 nan 8.190 nan 0.000 0.444 149 P HA -0.113 nan 4.420 nan 0.000 0.219 149 P C 1.852 179.093 177.300 -0.098 0.000 1.150 149 P CA 1.542 64.343 63.100 -0.497 0.000 0.814 149 P CB -0.015 31.332 31.700 -0.587 0.000 0.787 150 I N -0.571 119.992 120.570 -0.011 0.000 2.226 150 I HA -0.215 3.956 4.170 0.000 0.000 0.245 150 I C 2.619 178.846 176.117 0.183 0.000 1.100 150 I CA 1.243 62.615 61.300 0.120 0.000 1.374 150 I CB -0.538 37.533 38.000 0.119 0.000 1.057 150 I HN -0.143 nan 8.210 nan 0.000 0.413 151 L N -0.316 121.001 121.223 0.156 0.000 2.056 151 L HA -0.212 4.128 4.340 0.000 0.000 0.207 151 L C 2.590 179.733 176.870 0.454 0.000 1.078 151 L CA 1.047 56.100 54.840 0.355 0.000 0.749 151 L CB -0.609 41.592 42.059 0.236 0.000 0.901 151 L HN 0.295 nan 8.230 nan 0.000 0.433 152 L N 0.713 122.065 121.223 0.215 0.000 2.079 152 L HA -0.143 4.198 4.340 0.000 0.000 0.210 152 L C 2.529 179.466 176.870 0.112 0.000 1.081 152 L CA 1.885 56.808 54.840 0.139 0.000 0.752 152 L CB -0.649 41.449 42.059 0.064 0.000 0.896 152 L HN 0.149 nan 8.230 nan 0.000 0.433 153 A N -1.097 121.813 122.820 0.151 0.000 2.216 153 A HA 0.272 4.592 4.320 0.000 0.000 0.214 153 A C 1.770 179.472 177.584 0.197 0.000 1.160 153 A CA 0.926 53.068 52.037 0.175 0.000 0.725 153 A CB -0.983 18.149 19.000 0.220 0.000 0.784 153 A HN 0.902 nan 8.150 nan 0.000 0.472 154 G N -1.245 107.694 108.800 0.232 0.000 2.144 154 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 154 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 154 G C -0.105 175.171 174.900 0.626 0.000 0.988 154 G CA 0.095 45.321 45.100 0.210 0.000 0.659 154 G HN 0.649 nan 8.290 nan 0.000 0.522 155 N N 0.117 119.173 118.700 0.593 0.000 2.476 155 N HA 0.624 5.364 4.740 0.000 0.000 0.275 155 N C 0.234 176.017 175.510 0.454 0.000 1.190 155 N CA -0.098 53.254 53.050 0.504 0.000 0.977 155 N CB 0.946 39.570 38.487 0.229 0.000 1.200 155 N HN 0.142 nan 8.380 nan 0.000 0.515 156 S N 0.163 116.026 115.700 0.273 0.000 2.646 156 S HA 0.275 4.745 4.470 0.000 0.000 0.276 156 S C -1.203 173.426 174.600 0.048 0.000 1.222 156 S CA -0.415 57.842 58.200 0.094 0.000 1.014 156 S CB 0.464 63.705 63.200 0.069 0.000 0.991 156 S HN 0.469 nan 8.310 nan 0.000 0.533 157 Y N 1.757 121.977 120.300 -0.133 0.000 2.346 157 Y HA 0.611 5.161 4.550 0.000 0.000 0.332 157 Y C -1.441 174.296 175.900 -0.271 0.000 0.985 157 Y CA -1.021 56.974 58.100 -0.176 0.000 1.112 157 Y CB 0.926 39.330 38.460 -0.093 0.000 1.170 157 Y HN 0.483 nan 8.280 nan 0.000 0.447 158 L N 8.114 129.038 121.223 -0.498 0.000 2.342 158 L HA 0.519 4.860 4.340 0.000 0.000 0.276 158 L C -1.996 174.588 176.870 -0.476 0.000 0.997 158 L CA -0.776 53.828 54.840 -0.393 0.000 0.838 158 L CB 1.198 43.096 42.059 -0.269 0.000 1.224 158 L HN 0.703 nan 8.230 nan 0.000 0.416 159 L N 5.044 126.076 121.223 -0.318 0.000 2.292 159 L HA 0.504 4.844 4.340 0.000 0.000 0.284 159 L C -0.455 176.433 176.870 0.031 0.000 1.065 159 L CA 0.142 54.883 54.840 -0.166 0.000 0.806 159 L CB 0.740 42.833 42.059 0.057 0.000 1.175 159 L HN 0.642 nan 8.230 nan 0.000 0.431 160 K N 4.758 125.167 120.400 0.014 0.000 2.367 160 K HA 0.259 4.579 4.320 0.000 0.000 0.263 160 K C -1.121 175.602 176.600 0.205 0.000 1.000 160 K CA -0.481 55.893 56.287 0.144 0.000 0.891 160 K CB 0.479 33.015 32.500 0.060 0.000 1.117 160 K HN 0.902 nan 8.250 nan 0.000 0.443 161 H N 1.048 120.272 119.070 0.257 0.000 2.495 161 H HA 0.427 4.983 4.556 0.000 0.000 0.350 161 H C -0.184 175.276 175.328 0.219 0.000 1.202 161 H CA -0.636 55.532 56.048 0.201 0.000 1.322 161 H CB 1.538 31.389 29.762 0.149 0.000 1.544 161 H HN 0.769 nan 8.280 nan 0.000 0.565 162 A N 2.816 125.944 122.820 0.514 0.000 2.511 162 A HA 0.059 4.379 4.320 0.000 0.000 0.242 162 A C -1.632 176.107 177.584 0.259 0.000 1.069 162 A CA -0.993 51.249 52.037 0.343 0.000 0.763 162 A CB -0.087 19.149 19.000 0.395 0.000 1.001 162 A HN 0.701 nan 8.150 nan 0.000 0.498 163 P HA -0.108 nan 4.420 nan 0.000 0.230 163 P C 0.503 177.883 177.300 0.134 0.000 1.158 163 P CA 0.976 64.237 63.100 0.267 0.000 0.769 163 P CB -0.011 31.930 31.700 0.401 0.000 0.807 164 N N 0.271 119.032 118.700 0.102 0.000 2.336 164 N HA -0.010 4.730 4.740 0.000 0.000 0.189 164 N C 0.787 176.288 175.510 -0.016 0.000 1.113 164 N CA 0.389 53.450 53.050 0.017 0.000 0.858 164 N CB -0.368 38.087 38.487 -0.052 0.000 0.970 164 N HN 0.130 nan 8.380 nan 0.000 0.471 165 V N -2.311 117.581 119.914 -0.037 0.000 2.838 165 V HA 0.308 4.428 4.120 0.000 0.000 0.363 165 V C 1.401 177.386 176.094 -0.181 0.000 1.324 165 V CA 0.092 62.311 62.300 -0.135 0.000 1.220 165 V CB -0.553 31.140 31.823 -0.215 0.000 1.328 165 V HN 0.186 nan 8.190 nan 0.000 0.595 166 T N -2.547 111.970 114.554 -0.061 0.000 2.915 166 T HA 0.003 4.354 4.350 0.000 0.000 0.269 166 T C 1.977 176.621 174.700 -0.093 0.000 1.071 166 T CA 1.626 63.710 62.100 -0.025 0.000 1.132 166 T CB -0.336 68.643 68.868 0.185 0.000 0.878 166 T HN 0.684 nan 8.240 nan 0.000 0.479 167 G N 0.575 109.337 108.800 -0.063 0.000 2.421 167 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 167 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 167 G C 1.833 176.668 174.900 -0.108 0.000 1.171 167 G CA 0.959 46.023 45.100 -0.059 0.000 0.775 167 G HN 0.615 nan 8.290 nan 0.000 0.543 168 C N 0.942 120.166 119.300 -0.126 0.000 2.413 168 C HA 0.125 4.586 4.460 0.000 0.000 0.276 168 C C 3.556 178.437 174.990 -0.181 0.000 1.236 168 C CA 0.897 59.844 59.018 -0.119 0.000 1.735 168 C CB -1.037 26.643 27.740 -0.100 0.000 2.031 168 C HN 0.580 nan 8.230 nan 0.000 0.474 169 A N 0.004 122.636 122.820 -0.312 0.000 1.883 169 A HA -0.171 4.149 4.320 0.000 0.000 0.217 169 A C 1.412 178.506 177.584 -0.817 0.000 1.186 169 A CA 1.273 52.959 52.037 -0.585 0.000 0.624 169 A CB -0.617 17.797 19.000 -0.977 0.000 0.822 169 A HN 0.782 nan 8.150 nan 0.000 0.444 173 A N 1.616 124.408 122.820 -0.047 0.000 1.908 173 A HA -0.154 4.166 4.320 0.000 0.000 0.218 173 A C 2.181 179.799 177.584 0.058 0.000 1.181 173 A CA 1.920 54.038 52.037 0.136 0.000 0.627 173 A CB -0.558 18.625 19.000 0.305 0.000 0.818 173 A HN 0.345 nan 8.150 nan 0.000 0.445 174 R N -0.686 119.818 120.500 0.008 0.000 2.091 174 R HA -0.095 4.245 4.340 0.000 0.000 0.238 174 R C 2.034 178.286 176.300 -0.080 0.000 1.136 174 R CA 1.684 57.768 56.100 -0.027 0.000 0.959 174 R CB -0.531 29.727 30.300 -0.071 0.000 0.856 174 R HN 0.595 nan 8.270 nan 0.000 0.437 175 I N 0.503 120.997 120.570 -0.127 0.000 2.202 175 I HA -0.269 3.901 4.170 0.000 0.000 0.242 175 I C 1.963 178.031 176.117 -0.082 0.000 1.091 175 I CA 0.996 62.224 61.300 -0.121 0.000 1.368 175 I CB -0.165 37.769 38.000 -0.110 0.000 1.058 175 I HN 0.072 nan 8.210 nan 0.000 0.410 176 L N 0.637 121.776 121.223 -0.139 0.000 2.141 176 L HA -0.137 4.204 4.340 0.000 0.000 0.209 176 L C 2.629 179.463 176.870 -0.060 0.000 1.094 176 L CA 1.898 56.640 54.840 -0.163 0.000 0.763 176 L CB -0.995 40.832 42.059 -0.387 0.000 0.908 176 L HN 0.188 nan 8.230 nan 0.000 0.437 177 A N -0.750 122.062 122.820 -0.013 0.000 1.898 177 A HA -0.249 4.071 4.320 0.000 0.000 0.216 177 A C 2.331 179.928 177.584 0.021 0.000 1.181 177 A CA 1.632 53.684 52.037 0.025 0.000 0.620 177 A CB -0.589 18.443 19.000 0.053 0.000 0.819 177 A HN 0.502 nan 8.150 nan 0.000 0.442 178 E N 0.152 120.360 120.200 0.013 0.000 2.160 178 E HA -0.147 4.204 4.350 0.000 0.000 0.195 178 E C 1.831 178.456 176.600 0.040 0.000 0.991 178 E CA 1.085 57.507 56.400 0.035 0.000 0.810 178 E CB -0.264 29.470 29.700 0.057 0.000 0.742 178 E HN 0.518 nan 8.360 nan 0.000 0.466 179 A N 0.140 122.975 122.820 0.025 0.000 2.209 179 A HA 0.143 4.463 4.320 0.000 0.000 0.212 179 A C 1.778 179.383 177.584 0.034 0.000 1.158 179 A CA 1.085 53.139 52.037 0.028 0.000 0.742 179 A CB -0.577 18.429 19.000 0.009 0.000 0.790 179 A HN 0.560 nan 8.150 nan 0.000 0.472 180 G N -1.439 107.380 108.800 0.032 0.000 2.132 180 G HA2 -0.214 3.746 3.960 0.000 0.000 0.234 180 G HA3 -0.214 3.746 3.960 0.000 0.000 0.234 180 G C 0.251 175.174 174.900 0.038 0.000 0.989 180 G CA 0.261 45.387 45.100 0.043 0.000 0.676 180 G HN 0.640 nan 8.290 nan 0.000 0.522 181 T N 2.728 117.283 114.554 0.002 0.000 2.817 181 T HA 0.422 4.772 4.350 0.000 0.000 0.295 181 T C -1.581 173.086 174.700 -0.055 0.000 0.958 181 T CA -0.133 61.931 62.100 -0.060 0.000 1.157 181 T CB 1.221 70.031 68.868 -0.097 0.000 0.898 181 T HN 0.210 nan 8.240 nan 0.000 0.536 182 P HA 0.267 nan 4.420 nan 0.000 0.269 182 P C -0.478 176.795 177.300 -0.044 0.000 1.215 182 P CA -0.484 62.599 63.100 -0.030 0.000 0.780 182 P CB 0.345 32.053 31.700 0.013 0.000 0.898 183 A N 2.174 124.996 122.820 0.003 0.000 2.540 183 A HA 0.408 4.728 4.320 0.000 0.000 0.239 183 A C 1.606 179.177 177.584 -0.020 0.000 1.061 183 A CA 0.821 52.864 52.037 0.011 0.000 0.758 183 A CB -1.357 17.662 19.000 0.031 0.000 0.991 183 A HN 0.877 nan 8.150 nan 0.000 0.502 184 G N 1.007 109.788 108.800 -0.033 0.000 2.320 184 G HA2 -0.303 3.657 3.960 0.000 0.000 0.242 184 G HA3 -0.303 3.657 3.960 0.000 0.000 0.242 184 G C 1.075 175.928 174.900 -0.078 0.000 1.033 184 G CA 0.745 45.808 45.100 -0.061 0.000 0.620 184 G HN 1.250 nan 8.290 nan 0.000 0.517 185 V N -0.439 119.392 119.914 -0.139 0.000 2.358 185 V HA 0.161 4.281 4.120 0.000 0.000 0.246 185 V C 1.196 177.201 176.094 -0.149 0.000 1.047 185 V CA 2.108 64.227 62.300 -0.302 0.000 1.035 185 V CB -0.248 31.109 31.823 -0.776 0.000 0.658 185 V HN 0.585 nan 8.190 nan 0.000 0.452 186 Y N -0.432 119.767 120.300 -0.168 0.000 2.376 186 Y HA 0.683 5.234 4.550 0.000 0.000 0.340 186 Y C 0.030 175.956 175.900 0.043 0.000 0.965 186 Y CA -0.187 57.895 58.100 -0.029 0.000 1.078 186 Y CB 1.651 40.070 38.460 -0.067 0.000 1.193 186 Y HN 0.078 nan 8.280 nan 0.000 0.452 187 G N 4.423 112.902 108.800 -0.535 0.000 2.660 187 G HA2 0.524 4.484 3.960 0.000 0.000 0.290 187 G HA3 0.524 4.484 3.960 0.000 0.000 0.290 187 G C -2.255 172.518 174.900 -0.213 0.000 1.432 187 G CA -0.760 44.207 45.100 -0.222 0.000 0.807 187 G HN 0.817 nan 8.290 nan 0.000 0.485 188 W N -0.670 120.507 121.300 -0.205 0.000 3.075 188 W HA 0.798 5.458 4.660 0.000 0.000 0.334 188 W C -2.318 174.182 176.519 -0.033 0.000 1.243 188 W CA -1.559 55.709 57.345 -0.128 0.000 1.170 188 W CB 1.156 30.599 29.460 -0.028 0.000 1.452 188 W HN 0.937 nan 8.180 nan 0.000 0.572 189 V N 2.566 122.337 119.914 -0.239 0.000 2.777 189 V HA 0.259 4.380 4.120 0.000 0.000 0.306 189 V C -1.020 174.959 176.094 -0.191 0.000 1.112 189 V CA -0.605 61.451 62.300 -0.406 0.000 0.917 189 V CB 1.998 33.697 31.823 -0.206 0.000 1.018 189 V HN 0.619 nan 8.190 nan 0.000 0.426 190 N N 5.049 123.586 118.700 -0.273 0.000 3.178 190 N HA 0.448 5.188 4.740 0.000 0.000 0.300 190 N C 0.026 175.691 175.510 0.259 0.000 1.242 190 N CA 0.488 53.602 53.050 0.106 0.000 1.192 190 N CB 0.418 38.955 38.487 0.083 0.000 1.463 190 N HN 0.903 nan 8.380 nan 0.000 0.539 191 A N 1.860 124.775 122.820 0.159 0.000 2.354 191 A HA 0.337 4.657 4.320 0.000 0.000 0.269 191 A C 0.567 178.120 177.584 -0.051 0.000 1.109 191 A CA -0.754 51.323 52.037 0.067 0.000 0.800 191 A CB 0.184 19.175 19.000 -0.015 0.000 1.045 191 A HN 0.776 nan 8.150 nan 0.000 0.489 192 N N 1.839 120.345 118.700 -0.323 0.000 2.366 192 N HA 0.057 4.797 4.740 0.000 0.000 0.277 192 N C 0.376 175.648 175.510 -0.398 0.000 1.275 192 N CA -0.368 52.209 53.050 -0.788 0.000 0.964 192 N CB -0.034 37.705 38.487 -1.246 0.000 1.167 192 N HN 0.479 nan 8.380 nan 0.000 0.568 193 N N -0.279 118.197 118.700 -0.374 0.000 2.149 193 N HA -0.186 4.554 4.740 0.000 0.000 0.188 193 N C 1.182 176.597 175.510 -0.158 0.000 1.019 193 N CA 1.103 54.029 53.050 -0.207 0.000 0.857 193 N CB -0.318 38.067 38.487 -0.169 0.000 0.997 193 N HN 0.782 nan 8.380 nan 0.000 0.426 194 E N -0.086 120.010 120.200 -0.173 0.000 2.072 194 E HA -0.079 4.271 4.350 0.000 0.000 0.191 194 E C 1.944 178.483 176.600 -0.101 0.000 0.985 194 E CA 1.070 57.398 56.400 -0.119 0.000 0.801 194 E CB -0.245 29.387 29.700 -0.114 0.000 0.750 194 E HN 0.392 nan 8.360 nan 0.000 0.452 195 G N 0.391 109.119 108.800 -0.119 0.000 2.418 195 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 195 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 195 G C 1.640 176.493 174.900 -0.078 0.000 1.158 195 G CA 0.906 45.955 45.100 -0.086 0.000 0.771 195 G HN 0.216 nan 8.290 nan 0.000 0.545 196 V N 1.191 121.052 119.914 -0.089 0.000 2.295 196 V HA -0.207 3.913 4.120 0.000 0.000 0.246 196 V C 3.134 179.189 176.094 -0.066 0.000 1.049 196 V CA 2.266 64.521 62.300 -0.075 0.000 1.024 196 V CB -0.673 31.106 31.823 -0.074 0.000 0.648 196 V HN 0.375 nan 8.190 nan 0.000 0.447 197 S N -1.124 114.537 115.700 -0.065 0.000 2.359 197 S HA -0.233 4.237 4.470 0.000 0.000 0.224 197 S C 1.271 175.843 174.600 -0.047 0.000 1.035 197 S CA 1.155 59.325 58.200 -0.051 0.000 1.018 197 S CB -0.305 62.865 63.200 -0.050 0.000 0.876 197 S HN 0.727 nan 8.310 nan 0.000 0.448 201 N N 1.380 120.061 118.700 -0.032 0.000 2.461 201 N HA -0.022 4.718 4.740 0.000 0.000 0.188 201 N C 0.225 175.720 175.510 -0.025 0.000 1.134 201 N CA 0.278 53.313 53.050 -0.025 0.000 0.878 201 N CB 0.357 38.831 38.487 -0.023 0.000 0.972 201 N HN 0.267 nan 8.380 nan 0.000 0.456 202 D N 0.671 121.051 120.400 -0.033 0.000 2.225 202 D HA 0.073 4.713 4.640 0.000 0.000 0.248 202 D C -1.599 174.682 176.300 -0.032 0.000 1.096 202 D CA -2.143 51.838 54.000 -0.032 0.000 0.863 202 D CB 1.660 42.437 40.800 -0.039 0.000 1.156 202 D HN 0.017 nan 8.370 nan 0.000 0.450 203 P HA -0.080 nan 4.420 nan 0.000 0.225 203 P C 0.963 178.245 177.300 -0.031 0.000 1.148 203 P CA 0.668 63.756 63.100 -0.020 0.000 0.779 203 P CB 0.328 32.023 31.700 -0.008 0.000 0.780 204 R N -0.930 119.548 120.500 -0.037 0.000 2.235 204 R HA 0.041 4.381 4.340 0.000 0.000 0.213 204 R C 0.758 177.004 176.300 -0.091 0.000 1.059 204 R CA 0.359 56.428 56.100 -0.051 0.000 0.997 204 R CB -0.237 30.038 30.300 -0.041 0.000 0.884 204 R HN 0.165 nan 8.270 nan 0.000 0.462 205 I N 0.812 121.330 120.570 -0.087 0.000 2.337 205 I HA 0.070 4.240 4.170 0.000 0.000 0.291 205 I C 1.121 177.183 176.117 -0.092 0.000 1.046 205 I CA -0.104 61.131 61.300 -0.108 0.000 1.324 205 I CB 0.939 38.880 38.000 -0.098 0.000 1.409 205 I HN 0.076 nan 8.210 nan 0.000 0.494 206 A N 5.560 128.310 122.820 -0.117 0.000 1.984 206 A HA 0.601 4.921 4.320 0.000 0.000 0.214 206 A C 0.991 178.571 177.584 -0.007 0.000 1.173 206 A CA 1.009 53.002 52.037 -0.073 0.000 0.673 206 A CB 0.212 19.141 19.000 -0.119 0.000 0.830 206 A HN 0.774 nan 8.150 nan 0.000 0.453 207 A N -2.151 120.661 122.820 -0.014 0.000 2.564 207 A HA 0.615 4.935 4.320 0.000 0.000 0.291 207 A C -1.493 176.080 177.584 -0.018 0.000 1.102 207 A CA -0.262 51.824 52.037 0.082 0.000 0.660 207 A CB 0.654 19.842 19.000 0.314 0.000 1.283 207 A HN 0.594 nan 8.150 nan 0.000 0.430 208 V N -0.040 119.916 119.914 0.071 0.000 2.841 208 V HA 0.811 4.932 4.120 0.000 0.000 0.310 208 V C -0.274 175.846 176.094 0.043 0.000 1.090 208 V CA -0.356 61.925 62.300 -0.030 0.000 0.930 208 V CB 1.977 33.797 31.823 -0.005 0.000 1.014 208 V HN 1.091 nan 8.190 nan 0.000 0.425 209 T N 3.123 117.623 114.554 -0.090 0.000 2.848 209 T HA 0.738 5.089 4.350 0.000 0.000 0.285 209 T C -1.333 173.342 174.700 -0.041 0.000 0.995 209 T CA -0.281 61.829 62.100 0.017 0.000 0.970 209 T CB 1.353 70.219 68.868 -0.002 0.000 0.976 209 T HN 0.465 nan 8.240 nan 0.000 0.441 210 V N 4.623 124.524 119.914 -0.022 0.000 2.588 210 V HA 0.609 4.729 4.120 0.000 0.000 0.304 210 V C -0.088 175.983 176.094 -0.038 0.000 1.042 210 V CA -0.771 61.502 62.300 -0.045 0.000 0.877 210 V CB 2.168 33.955 31.823 -0.059 0.000 0.996 210 V HN 0.993 nan 8.190 nan 0.000 0.425 211 T N 3.446 117.982 114.554 -0.030 0.000 2.809 211 T HA 0.848 5.198 4.350 0.000 0.000 0.284 211 T C 0.270 174.946 174.700 -0.040 0.000 0.992 211 T CA 0.094 62.183 62.100 -0.019 0.000 0.957 211 T CB 1.520 70.387 68.868 -0.001 0.000 0.942 211 T HN 1.277 nan 8.240 nan 0.000 0.439 212 G N 1.812 110.576 108.800 -0.061 0.000 2.360 212 G HA2 0.473 4.433 3.960 0.000 0.000 0.276 212 G HA3 0.473 4.433 3.960 0.000 0.000 0.276 212 G C -0.586 174.242 174.900 -0.119 0.000 1.256 212 G CA -0.319 44.721 45.100 -0.101 0.000 0.890 212 G HN 0.886 nan 8.290 nan 0.000 0.486 213 S N -0.691 114.940 115.700 -0.116 0.000 2.614 213 S HA 0.430 4.900 4.470 0.000 0.000 0.265 213 S C 1.585 176.163 174.600 -0.037 0.000 1.303 213 S CA 0.233 58.374 58.200 -0.099 0.000 1.000 213 S CB 1.442 64.595 63.200 -0.079 0.000 0.935 213 S HN 1.224 nan 8.310 nan 0.000 0.551 214 V N 2.185 122.104 119.914 0.009 0.000 2.282 214 V HA -0.240 3.880 4.120 0.000 0.000 0.249 214 V C 2.915 179.005 176.094 -0.007 0.000 1.057 214 V CA 2.347 64.655 62.300 0.013 0.000 1.032 214 V CB -1.119 30.727 31.823 0.040 0.000 0.645 214 V HN 0.828 nan 8.190 nan 0.000 0.447 215 R N -0.024 120.475 120.500 -0.002 0.000 2.081 215 R HA -0.136 4.204 4.340 0.000 0.000 0.235 215 R C 2.457 178.752 176.300 -0.009 0.000 1.131 215 R CA 1.516 57.614 56.100 -0.003 0.000 0.960 215 R CB -0.647 29.656 30.300 0.005 0.000 0.856 215 R HN 0.555 nan 8.270 nan 0.000 0.436 216 A N 0.823 123.635 122.820 -0.014 0.000 1.877 216 A HA -0.088 4.233 4.320 0.000 0.000 0.216 216 A C 2.431 180.000 177.584 -0.025 0.000 1.186 216 A CA 1.769 53.796 52.037 -0.017 0.000 0.620 216 A CB -1.240 17.749 19.000 -0.019 0.000 0.822 216 A HN 0.470 nan 8.150 nan 0.000 0.443 217 G N -0.526 108.252 108.800 -0.036 0.000 2.440 217 G HA2 -0.031 3.929 3.960 0.000 0.000 0.218 217 G HA3 -0.031 3.929 3.960 0.000 0.000 0.218 217 G C 1.730 176.614 174.900 -0.028 0.000 1.154 217 G CA 1.579 46.648 45.100 -0.052 0.000 0.767 217 G HN 0.824 nan 8.290 nan 0.000 0.552 218 A N 0.967 123.779 122.820 -0.013 0.000 1.898 218 A HA 0.370 4.690 4.320 0.000 0.000 0.216 218 A C 2.788 180.376 177.584 0.006 0.000 1.181 218 A CA 2.072 54.112 52.037 0.005 0.000 0.620 218 A CB -0.669 18.332 19.000 0.002 0.000 0.819 218 A HN 0.747 nan 8.150 nan 0.000 0.442 219 A N -0.303 122.515 122.820 -0.004 0.000 1.930 219 A HA 0.011 4.331 4.320 0.000 0.000 0.217 219 A C 2.076 179.656 177.584 -0.007 0.000 1.175 219 A CA 1.482 53.515 52.037 -0.006 0.000 0.627 219 A CB -0.479 18.513 19.000 -0.012 0.000 0.815 219 A HN 0.474 nan 8.150 nan 0.000 0.443 220 I N -0.708 119.856 120.570 -0.009 0.000 2.400 220 I HA -0.052 4.118 4.170 0.000 0.000 0.248 220 I C 2.658 178.781 176.117 0.011 0.000 1.109 220 I CA 0.894 62.188 61.300 -0.010 0.000 1.425 220 I CB -0.450 37.536 38.000 -0.022 0.000 1.094 220 I HN 0.352 nan 8.210 nan 0.000 0.425 221 G N 0.622 109.437 108.800 0.025 0.000 2.422 221 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 221 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 221 G C 1.855 176.799 174.900 0.073 0.000 1.146 221 G CA 0.842 45.987 45.100 0.075 0.000 0.769 221 G HN 0.466 nan 8.290 nan 0.000 0.547 222 A N 0.463 123.310 122.820 0.045 0.000 1.902 222 A HA -0.083 4.237 4.320 0.000 0.000 0.217 222 A C 2.346 179.943 177.584 0.021 0.000 1.181 222 A CA 1.902 53.958 52.037 0.031 0.000 0.623 222 A CB -0.376 18.634 19.000 0.018 0.000 0.818 222 A HN 0.467 nan 8.150 nan 0.000 0.443 223 Q N -0.710 119.098 119.800 0.014 0.000 2.123 223 Q HA -0.005 4.335 4.340 0.000 0.000 0.199 223 Q C 2.436 178.442 176.000 0.011 0.000 0.966 223 Q CA 1.136 56.942 55.803 0.005 0.000 0.845 223 Q CB -0.357 28.376 28.738 -0.007 0.000 0.907 223 Q HN 0.667 nan 8.270 nan 0.000 0.439 224 A N 1.213 124.047 122.820 0.024 0.000 1.877 224 A HA -0.116 4.204 4.320 0.000 0.000 0.216 224 A C 2.320 179.928 177.584 0.040 0.000 1.186 224 A CA 1.665 53.723 52.037 0.035 0.000 0.620 224 A CB -1.308 17.728 19.000 0.060 0.000 0.822 224 A HN 0.467 nan 8.150 nan 0.000 0.443 225 G N -0.446 108.383 108.800 0.047 0.000 2.440 225 G HA2 -0.036 3.924 3.960 0.000 0.000 0.218 225 G HA3 -0.036 3.924 3.960 0.000 0.000 0.218 225 G C 1.736 176.647 174.900 0.018 0.000 1.154 225 G CA 1.537 46.658 45.100 0.035 0.000 0.767 225 G HN 0.860 nan 8.290 nan 0.000 0.552 226 A N 0.748 123.576 122.820 0.014 0.000 2.019 226 A HA 0.338 4.658 4.320 0.000 0.000 0.219 226 A C 2.517 180.104 177.584 0.004 0.000 1.164 226 A CA 2.062 54.103 52.037 0.006 0.000 0.644 226 A CB -0.390 18.612 19.000 0.003 0.000 0.805 226 A HN 0.863 nan 8.150 nan 0.000 0.449 227 A N -1.326 121.498 122.820 0.007 0.000 2.275 227 A HA 0.523 4.843 4.320 0.000 0.000 0.212 227 A C 0.886 178.475 177.584 0.008 0.000 1.201 227 A CA 0.303 52.342 52.037 0.004 0.000 0.843 227 A CB -0.593 18.407 19.000 -0.000 0.000 0.873 227 A HN 0.857 nan 8.150 nan 0.000 0.492 228 L N -1.421 119.809 121.223 0.012 0.000 3.717 228 L HA -0.220 4.120 4.340 0.000 0.000 0.411 228 L C -0.406 176.479 176.870 0.024 0.000 1.233 228 L CA 0.668 55.516 54.840 0.015 0.000 0.917 228 L CB -1.933 40.131 42.059 0.009 0.000 1.902 228 L HN 0.394 nan 8.230 nan 0.000 0.894 229 K N 0.638 121.058 120.400 0.034 0.000 2.270 229 K HA 0.515 4.835 4.320 0.000 0.000 0.255 229 K C 0.040 176.690 176.600 0.084 0.000 0.936 229 K CA -0.907 55.412 56.287 0.052 0.000 0.809 229 K CB 2.495 35.018 32.500 0.039 0.000 1.131 229 K HN 0.001 nan 8.250 nan 0.000 0.427 230 K N 2.151 122.616 120.400 0.109 0.000 2.295 230 K HA 0.202 4.523 4.320 0.000 0.000 0.270 230 K C -0.511 176.221 176.600 0.220 0.000 1.011 230 K CA -0.326 56.045 56.287 0.140 0.000 0.953 230 K CB 0.445 33.012 32.500 0.111 0.000 0.956 230 K HN 0.852 nan 8.250 nan 0.000 0.477 231 C N 0.170 119.629 119.300 0.264 0.000 2.994 231 C HA 0.693 5.153 4.460 0.000 0.000 0.304 231 C C -0.644 174.510 174.990 0.273 0.000 1.273 231 C CA -1.129 58.059 59.018 0.282 0.000 1.537 231 C CB 0.767 28.617 27.740 0.184 0.000 2.001 231 C HN 0.434 nan 8.230 nan 0.000 0.471 232 V N 2.293 122.331 119.914 0.206 0.000 2.417 232 V HA 0.537 4.657 4.120 0.000 0.000 0.291 232 V C -0.319 175.696 176.094 -0.132 0.000 1.024 232 V CA -0.263 62.067 62.300 0.050 0.000 0.861 232 V CB 1.479 33.402 31.823 0.167 0.000 0.985 232 V HN 0.793 nan 8.190 nan 0.000 0.436 233 L N 5.091 126.043 121.223 -0.451 0.000 2.342 233 L HA 0.578 4.918 4.340 0.000 0.000 0.276 233 L C -0.208 176.503 176.870 -0.265 0.000 0.997 233 L CA -0.396 54.195 54.840 -0.415 0.000 0.838 233 L CB 1.635 43.276 42.059 -0.697 0.000 1.224 233 L HN 0.531 nan 8.230 nan 0.000 0.416 234 E N 5.757 125.891 120.200 -0.110 0.000 2.121 234 E HA 0.473 4.823 4.350 0.000 0.000 0.255 234 E C -0.559 176.034 176.600 -0.011 0.000 0.906 234 E CA -0.182 56.205 56.400 -0.022 0.000 0.745 234 E CB 1.983 31.730 29.700 0.078 0.000 1.155 234 E HN 0.524 nan 8.360 nan 0.000 0.424 235 L N -0.025 121.186 121.223 -0.020 0.000 2.558 235 L HA 0.609 4.949 4.340 0.000 0.000 0.260 235 L C 1.209 178.102 176.870 0.037 0.000 1.130 235 L CA -1.245 53.591 54.840 -0.006 0.000 1.049 235 L CB 0.220 42.269 42.059 -0.015 0.000 1.758 235 L HN 0.370 nan 8.230 nan 0.000 0.555 236 G N -1.297 107.542 108.800 0.066 0.000 2.684 236 G HA2 0.474 4.434 3.960 0.000 0.000 0.255 236 G HA3 0.474 4.434 3.960 0.000 0.000 0.255 236 G C -0.440 174.476 174.900 0.026 0.000 1.219 236 G CA 0.252 45.358 45.100 0.010 0.000 0.901 236 G HN 0.760 nan 8.290 nan 0.000 0.548 237 G N -2.192 106.477 108.800 -0.219 0.000 2.642 237 G HA2 0.472 4.432 3.960 0.000 0.000 0.293 237 G HA3 0.472 4.432 3.960 0.000 0.000 0.293 237 G C -0.747 173.782 174.900 -0.618 0.000 1.341 237 G CA 0.051 44.988 45.100 -0.271 0.000 0.916 237 G HN 1.009 nan 8.290 nan 0.000 0.474 238 S N 0.464 115.883 115.700 -0.468 0.000 2.235 238 S HA 0.287 4.758 4.470 0.000 0.000 0.152 238 S C -0.939 173.514 174.600 -0.246 0.000 1.649 238 S CA -0.626 57.329 58.200 -0.409 0.000 1.277 238 S CB -0.294 62.645 63.200 -0.435 0.000 1.299 238 S HN 0.452 nan 8.310 nan 0.000 0.388 239 D N 4.752 125.037 120.400 -0.193 0.000 2.450 239 D HA 0.204 4.844 4.640 0.000 0.000 0.247 239 D C -2.121 174.068 176.300 -0.186 0.000 1.162 239 D CA -0.777 53.141 54.000 -0.136 0.000 0.879 239 D CB 0.866 41.622 40.800 -0.073 0.000 1.163 239 D HN 0.335 nan 8.370 nan 0.000 0.472 240 P HA 0.235 nan 4.420 nan 0.000 0.278 240 P C -0.936 176.331 177.300 -0.056 0.000 1.238 240 P CA -0.530 62.481 63.100 -0.147 0.000 0.794 240 P CB 0.563 32.201 31.700 -0.104 0.000 0.955 241 F N 3.377 123.182 119.950 -0.242 0.000 2.610 241 F HA 0.470 4.997 4.527 0.000 0.000 0.355 241 F C -0.699 175.076 175.800 -0.043 0.000 1.140 241 F CA -0.915 57.020 58.000 -0.110 0.000 1.037 241 F CB 0.591 39.483 39.000 -0.179 0.000 1.287 241 F HN 0.088 nan 8.300 nan 0.000 0.457 242 I N 6.542 127.100 120.570 -0.018 0.000 2.331 242 I HA 0.373 4.543 4.170 0.000 0.000 0.292 242 I C -0.825 175.301 176.117 0.015 0.000 0.998 242 I CA -0.865 60.434 61.300 -0.003 0.000 1.267 242 I CB 1.505 39.483 38.000 -0.037 0.000 1.386 242 I HN 0.214 nan 8.210 nan 0.000 0.476 243 V N 7.553 127.469 119.914 0.004 0.000 2.407 243 V HA 0.424 4.544 4.120 0.000 0.000 0.291 243 V C 0.131 176.229 176.094 0.006 0.000 1.018 243 V CA -0.558 61.754 62.300 0.020 0.000 0.842 243 V CB 1.472 33.222 31.823 -0.122 0.000 0.996 243 V HN 0.510 nan 8.190 nan 0.000 0.426 244 L N 3.012 124.267 121.223 0.053 0.000 2.400 244 L HA 0.526 4.866 4.340 0.000 0.000 0.264 244 L C 1.343 178.247 176.870 0.057 0.000 1.061 244 L CA -0.800 54.065 54.840 0.041 0.000 0.799 244 L CB 0.882 42.964 42.059 0.037 0.000 1.240 244 L HN 0.476 nan 8.230 nan 0.000 0.461 245 N N 1.040 119.768 118.700 0.048 0.000 2.205 245 N HA -0.171 4.569 4.740 0.000 0.000 0.186 245 N C 0.843 176.391 175.510 0.062 0.000 1.015 245 N CA 1.232 54.314 53.050 0.053 0.000 0.862 245 N CB -0.268 38.245 38.487 0.043 0.000 0.986 245 N HN 0.637 nan 8.380 nan 0.000 0.429 246 D N -0.787 119.650 120.400 0.062 0.000 2.325 246 D HA 0.161 4.801 4.640 0.000 0.000 0.225 246 D C 0.275 176.628 176.300 0.089 0.000 1.096 246 D CA -0.287 53.752 54.000 0.065 0.000 0.844 246 D CB -0.440 40.390 40.800 0.049 0.000 0.925 246 D HN 0.080 nan 8.370 nan 0.000 0.513 247 A N 0.548 123.440 122.820 0.119 0.000 2.448 247 A HA 0.159 4.479 4.320 0.000 0.000 0.239 247 A C 0.351 178.039 177.584 0.174 0.000 1.080 247 A CA -0.297 51.851 52.037 0.186 0.000 0.779 247 A CB 0.161 19.307 19.000 0.244 0.000 1.026 247 A HN 0.150 nan 8.150 nan 0.000 0.499 248 D N 1.492 122.027 120.400 0.224 0.000 2.348 248 D HA 0.059 4.699 4.640 0.000 0.000 0.259 248 D C 0.944 177.338 176.300 0.157 0.000 1.296 248 D CA -0.241 53.870 54.000 0.185 0.000 0.931 248 D CB 0.300 41.228 40.800 0.213 0.000 1.067 248 D HN 0.382 nan 8.370 nan 0.000 0.503 249 L N 4.605 125.897 121.223 0.116 0.000 2.046 249 L HA -0.127 4.214 4.340 0.000 0.000 0.208 249 L C 1.941 178.842 176.870 0.053 0.000 1.077 249 L CA 1.874 56.777 54.840 0.104 0.000 0.747 249 L CB -0.494 41.627 42.059 0.103 0.000 0.896 249 L HN 0.400 nan 8.230 nan 0.000 0.432 250 E N -0.642 119.583 120.200 0.042 0.000 2.072 250 E HA -0.219 4.132 4.350 0.000 0.000 0.191 250 E C 2.064 178.666 176.600 0.003 0.000 0.985 250 E CA 1.417 57.823 56.400 0.010 0.000 0.801 250 E CB -0.510 29.202 29.700 0.021 0.000 0.750 250 E HN 0.419 nan 8.360 nan 0.000 0.452 251 L N 0.270 121.523 121.223 0.049 0.000 2.046 251 L HA -0.014 4.326 4.340 0.000 0.000 0.208 251 L C 2.196 178.941 176.870 -0.208 0.000 1.077 251 L CA 2.164 57.049 54.840 0.075 0.000 0.747 251 L CB -1.022 41.198 42.059 0.268 0.000 0.896 251 L HN 0.185 nan 8.230 nan 0.000 0.432 252 A N -1.139 121.396 122.820 -0.476 0.000 1.908 252 A HA -0.187 4.134 4.320 0.000 0.000 0.218 252 A C 2.276 179.725 177.584 -0.225 0.000 1.181 252 A CA 2.186 53.658 52.037 -0.941 0.000 0.627 252 A CB -1.163 17.555 19.000 -0.470 0.000 0.818 252 A HN 0.313 nan 8.150 nan 0.000 0.445 253 V N 0.415 120.269 119.914 -0.100 0.000 2.343 253 V HA -0.233 3.887 4.120 0.000 0.000 0.247 253 V C 2.530 178.530 176.094 -0.156 0.000 1.051 253 V CA 2.131 64.334 62.300 -0.162 0.000 1.036 253 V CB -0.581 31.094 31.823 -0.246 0.000 0.654 253 V HN 0.455 nan 8.190 nan 0.000 0.451 254 K N 0.581 120.917 120.400 -0.108 0.000 2.026 254 K HA -0.085 4.235 4.320 0.000 0.000 0.208 254 K C 2.296 178.857 176.600 -0.065 0.000 1.048 254 K CA 1.646 57.913 56.287 -0.032 0.000 0.929 254 K CB -0.790 31.768 32.500 0.097 0.000 0.713 254 K HN 0.473 nan 8.250 nan 0.000 0.439 255 A N 1.529 124.186 122.820 -0.272 0.000 1.930 255 A HA -0.038 4.282 4.320 0.000 0.000 0.217 255 A C 2.433 179.956 177.584 -0.102 0.000 1.175 255 A CA 1.861 53.596 52.037 -0.503 0.000 0.627 255 A CB -0.523 18.240 19.000 -0.395 0.000 0.815 255 A HN 0.304 nan 8.150 nan 0.000 0.443 256 A N -0.478 122.199 122.820 -0.239 0.000 1.877 256 A HA -0.014 4.306 4.320 0.000 0.000 0.216 256 A C 2.237 179.856 177.584 0.058 0.000 1.186 256 A CA 1.846 53.612 52.037 -0.451 0.000 0.620 256 A CB -0.959 17.726 19.000 -0.525 0.000 0.822 256 A HN 0.376 nan 8.150 nan 0.000 0.443 257 V N -0.160 119.759 119.914 0.009 0.000 2.295 257 V HA -0.228 3.893 4.120 0.000 0.000 0.246 257 V C 3.071 179.261 176.094 0.159 0.000 1.049 257 V CA 1.948 64.246 62.300 -0.003 0.000 1.024 257 V CB -1.257 30.417 31.823 -0.249 0.000 0.648 257 V HN 0.618 nan 8.190 nan 0.000 0.447 258 A N 0.494 123.393 122.820 0.131 0.000 1.902 258 A HA -0.107 4.213 4.320 0.000 0.000 0.217 258 A C 2.403 180.091 177.584 0.173 0.000 1.181 258 A CA 2.021 54.172 52.037 0.190 0.000 0.623 258 A CB -1.208 17.993 19.000 0.334 0.000 0.818 258 A HN 0.537 nan 8.150 nan 0.000 0.443 259 G N -0.686 108.209 108.800 0.158 0.000 2.408 259 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 259 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 259 G C 1.714 176.659 174.900 0.074 0.000 1.150 259 G CA 1.212 46.395 45.100 0.138 0.000 0.776 259 G HN 0.543 nan 8.290 nan 0.000 0.542 260 R N -0.479 120.066 120.500 0.074 0.000 2.075 260 R HA 0.074 4.414 4.340 0.000 0.000 0.226 260 R C 1.757 177.892 176.300 -0.275 0.000 1.114 260 R CA 1.045 57.065 56.100 -0.133 0.000 0.972 260 R CB -0.595 29.603 30.300 -0.170 0.000 0.869 260 R HN 0.415 nan 8.270 nan 0.000 0.437 261 Y N 0.424 120.770 120.300 0.076 0.000 2.462 261 Y HA 0.306 4.856 4.550 0.000 0.000 0.261 261 Y C 0.254 176.155 175.900 0.001 0.000 1.146 261 Y CA -0.372 57.742 58.100 0.022 0.000 1.283 261 Y CB 0.099 38.550 38.460 -0.016 0.000 1.090 261 Y HN -0.052 nan 8.280 nan 0.000 0.526 262 Q N 1.194 121.065 119.800 0.117 0.000 2.349 262 Q HA -0.082 4.258 4.340 0.000 0.000 0.287 262 Q C 0.643 176.654 176.000 0.019 0.000 1.044 262 Q CA 0.227 56.075 55.803 0.075 0.000 0.918 262 Q CB 0.092 28.883 28.738 0.087 0.000 1.242 262 Q HN 0.354 nan 8.270 nan 0.000 0.405 263 N N 0.740 119.428 118.700 -0.019 0.000 2.727 263 N HA -0.226 4.514 4.740 0.000 0.000 0.249 263 N C -1.051 174.410 175.510 -0.082 0.000 1.048 263 N CA 1.237 54.223 53.050 -0.106 0.000 0.714 263 N CB -1.160 37.175 38.487 -0.253 0.000 0.959 263 N HN 0.745 nan 8.380 nan 0.000 0.544 264 T N -1.836 112.712 114.554 -0.010 0.000 3.996 264 T HA -0.121 4.229 4.350 0.000 0.000 0.348 264 T C 1.323 176.017 174.700 -0.009 0.000 0.757 264 T CA 1.852 63.971 62.100 0.030 0.000 1.898 264 T CB -1.959 66.911 68.868 0.003 0.000 1.861 264 T HN 1.632 nan 8.240 nan 0.000 0.821 265 G N 0.232 109.001 108.800 -0.051 0.000 2.179 265 G HA2 -0.333 3.627 3.960 0.000 0.000 0.260 265 G HA3 -0.333 3.627 3.960 0.000 0.000 0.260 265 G C 0.169 174.829 174.900 -0.400 0.000 0.977 265 G CA 0.490 45.494 45.100 -0.161 0.000 0.641 265 G HN 0.687 nan 8.290 nan 0.000 0.533 266 Q N 0.117 119.616 119.800 -0.500 0.000 2.412 266 Q HA 0.448 4.788 4.340 0.000 0.000 0.298 266 Q C -0.144 175.287 176.000 -0.948 0.000 0.938 266 Q CA -0.025 55.149 55.803 -1.048 0.000 0.968 266 Q CB 0.869 29.399 28.738 -0.347 0.000 1.187 266 Q HN 0.350 nan 8.270 nan 0.000 0.421 267 V N 0.116 119.701 119.914 -0.549 0.000 2.540 267 V HA 0.034 4.154 4.120 0.000 0.000 0.302 267 V C 1.257 177.486 176.094 0.226 0.000 1.035 267 V CA -0.827 61.505 62.300 0.054 0.000 0.873 267 V CB 1.279 33.182 31.823 0.134 0.000 0.992 267 V HN 0.635 nan 8.190 nan 0.000 0.428 268 C N 2.406 121.943 119.300 0.396 0.000 2.398 268 C HA -0.053 4.407 4.460 0.000 0.000 0.276 268 C C 1.982 177.081 174.990 0.182 0.000 1.222 268 C CA 1.002 60.209 59.018 0.316 0.000 1.746 268 C CB -1.115 26.790 27.740 0.275 0.000 2.039 268 C HN 0.946 nan 8.230 nan 0.000 0.470 269 A N 0.982 123.928 122.820 0.210 0.000 2.579 269 A HA 0.678 4.999 4.320 0.000 0.000 0.273 269 A C 1.046 178.674 177.584 0.074 0.000 1.363 269 A CA 0.512 52.636 52.037 0.145 0.000 0.953 269 A CB -1.065 18.096 19.000 0.268 0.000 1.034 269 A HN 0.960 nan 8.150 nan 0.000 0.536 270 A N 0.126 122.969 122.820 0.039 0.000 2.466 270 A HA 0.526 4.846 4.320 0.000 0.000 0.238 270 A C 0.886 178.435 177.584 -0.059 0.000 1.074 270 A CA 0.271 52.300 52.037 -0.014 0.000 0.774 270 A CB -0.036 18.922 19.000 -0.069 0.000 1.015 270 A HN 1.499 nan 8.150 nan 0.000 0.498 271 A N 1.650 124.438 122.820 -0.054 0.000 2.476 271 A HA 0.375 4.695 4.320 0.000 0.000 0.275 271 A C 0.889 178.223 177.584 -0.417 0.000 1.133 271 A CA 0.101 52.024 52.037 -0.189 0.000 0.797 271 A CB -0.092 18.856 19.000 -0.086 0.000 1.081 271 A HN 0.854 nan 8.150 nan 0.000 0.510 272 K N 1.761 121.881 120.400 -0.466 0.000 2.424 272 K HA 0.105 4.425 4.320 0.000 0.000 0.198 272 K C 0.106 176.417 176.600 -0.482 0.000 1.190 272 K CA 0.377 56.427 56.287 -0.395 0.000 0.935 272 K CB 0.649 32.989 32.500 -0.266 0.000 1.087 272 K HN 0.660 nan 8.250 nan 0.000 0.524 273 R N 1.279 121.440 120.500 -0.565 0.000 2.310 273 R HA 0.283 4.624 4.340 0.000 0.000 0.316 273 R C -1.263 174.749 176.300 -0.481 0.000 1.004 273 R CA -0.462 55.374 56.100 -0.439 0.000 0.900 273 R CB 0.607 30.631 30.300 -0.459 0.000 1.152 273 R HN -0.121 nan 8.270 nan 0.000 0.513 274 F N 3.780 123.672 119.950 -0.097 0.000 2.424 274 F HA 0.337 4.864 4.527 0.000 0.000 0.356 274 F C 0.652 176.391 175.800 -0.103 0.000 1.110 274 F CA -0.394 57.530 58.000 -0.128 0.000 1.161 274 F CB 0.698 39.536 39.000 -0.270 0.000 1.115 274 F HN 0.261 nan 8.300 nan 0.000 0.507 275 I N 5.189 125.782 120.570 0.038 0.000 2.420 275 I HA 0.335 4.505 4.170 0.000 0.000 0.282 275 I C -0.985 175.094 176.117 -0.062 0.000 1.019 275 I CA -0.895 60.406 61.300 0.002 0.000 1.130 275 I CB 1.273 39.278 38.000 0.009 0.000 1.262 275 I HN 0.326 nan 8.210 nan 0.000 0.454 276 V N 2.229 122.087 119.914 -0.095 0.000 2.487 276 V HA 0.514 4.634 4.120 0.000 0.000 0.298 276 V C -0.111 175.951 176.094 -0.054 0.000 1.028 276 V CA -0.741 61.472 62.300 -0.146 0.000 0.860 276 V CB 1.659 33.307 31.823 -0.292 0.000 0.991 276 V HN 0.765 nan 8.190 nan 0.000 0.427 277 E N 2.633 122.815 120.200 -0.030 0.000 2.413 277 E HA 0.021 4.371 4.350 0.000 0.000 0.263 277 E C 1.004 177.619 176.600 0.024 0.000 1.015 277 E CA 0.432 56.839 56.400 0.011 0.000 0.916 277 E CB 0.919 30.632 29.700 0.022 0.000 0.947 277 E HN 0.939 nan 8.360 nan 0.000 0.440 278 E N 2.655 122.879 120.200 0.040 0.000 2.097 278 E HA -0.238 4.113 4.350 0.000 0.000 0.196 278 E C 1.633 178.258 176.600 0.042 0.000 1.000 278 E CA 1.476 57.902 56.400 0.043 0.000 0.804 278 E CB -0.229 29.500 29.700 0.047 0.000 0.740 278 E HN 0.817 nan 8.360 nan 0.000 0.454 279 G N 0.690 109.514 108.800 0.041 0.000 2.432 279 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 279 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 279 G C 1.473 176.403 174.900 0.051 0.000 1.135 279 G CA 0.569 45.694 45.100 0.042 0.000 0.767 279 G HN 0.368 nan 8.290 nan 0.000 0.550 280 I N 0.139 120.744 120.570 0.058 0.000 4.018 280 I HA 0.356 4.526 4.170 0.000 0.000 0.337 280 I C 2.603 178.785 176.117 0.109 0.000 1.327 280 I CA 0.487 61.835 61.300 0.081 0.000 1.100 280 I CB 0.304 38.355 38.000 0.085 0.000 1.025 280 I HN 0.163 nan 8.210 nan 0.000 0.396 281 A N 0.569 123.438 122.820 0.082 0.000 1.883 281 A HA -0.303 4.017 4.320 0.000 0.000 0.217 281 A C 2.157 179.825 177.584 0.140 0.000 1.186 281 A CA 2.154 54.249 52.037 0.097 0.000 0.624 281 A CB -0.534 18.502 19.000 0.060 0.000 0.822 281 A HN 0.507 nan 8.150 nan 0.000 0.444 282 Q N -0.456 119.403 119.800 0.099 0.000 2.079 282 Q HA 0.037 4.377 4.340 0.000 0.000 0.200 282 Q C 2.104 178.156 176.000 0.087 0.000 0.974 282 Q CA 2.066 57.919 55.803 0.085 0.000 0.840 282 Q CB -0.613 28.159 28.738 0.057 0.000 0.898 282 Q HN 0.556 nan 8.270 nan 0.000 0.430 283 A N -0.324 122.550 122.820 0.091 0.000 1.902 283 A HA -0.162 4.158 4.320 0.000 0.000 0.217 283 A C 2.030 179.665 177.584 0.084 0.000 1.181 283 A CA 1.428 53.509 52.037 0.073 0.000 0.623 283 A CB -1.063 17.981 19.000 0.073 0.000 0.818 283 A HN 0.571 nan 8.150 nan 0.000 0.443 284 F N 1.369 121.321 119.950 0.003 0.000 2.069 284 F HA -0.191 4.336 4.527 0.000 0.000 0.298 284 F C 2.489 178.285 175.800 -0.006 0.000 1.113 284 F CA 2.446 60.439 58.000 -0.011 0.000 1.214 284 F CB -0.652 38.333 39.000 -0.024 0.000 0.978 284 F HN 0.213 nan 8.300 nan 0.000 0.474 285 T N 0.207 114.856 114.554 0.159 0.000 2.684 285 T HA -0.206 4.144 4.350 0.000 0.000 0.267 285 T C 1.439 176.127 174.700 -0.020 0.000 1.036 285 T CA 1.699 63.838 62.100 0.064 0.000 1.148 285 T CB -0.483 68.456 68.868 0.119 0.000 0.863 285 T HN 0.276 nan 8.240 nan 0.000 0.436 286 D N 0.807 121.199 120.400 -0.014 0.000 2.123 286 D HA -0.045 4.595 4.640 0.000 0.000 0.196 286 D C 2.420 178.671 176.300 -0.082 0.000 0.992 286 D CA 1.018 54.999 54.000 -0.031 0.000 0.833 286 D CB -0.206 40.584 40.800 -0.017 0.000 0.954 286 D HN 0.335 nan 8.370 nan 0.000 0.455 287 R N -0.690 119.733 120.500 -0.129 0.000 2.090 287 R HA -0.028 4.312 4.340 0.000 0.000 0.228 287 R C 2.293 178.442 176.300 -0.253 0.000 1.110 287 R CA 0.418 56.412 56.100 -0.177 0.000 0.973 287 R CB -0.397 29.794 30.300 -0.181 0.000 0.869 287 R HN 0.182 nan 8.270 nan 0.000 0.440 288 F N 1.221 120.856 119.950 -0.525 0.000 2.102 288 F HA -0.215 4.312 4.527 0.000 0.000 0.298 288 F C 2.092 177.701 175.800 -0.319 0.000 1.105 288 F CA 1.303 58.961 58.000 -0.569 0.000 1.239 288 F CB -0.183 38.270 39.000 -0.911 0.000 0.991 288 F HN -0.288 nan 8.300 nan 0.000 0.474 289 V N 0.575 120.471 119.914 -0.030 0.000 2.287 289 V HA -0.343 3.777 4.120 0.000 0.000 0.248 289 V C 2.721 178.717 176.094 -0.162 0.000 1.053 289 V CA 1.841 64.112 62.300 -0.048 0.000 1.027 289 V CB -1.584 30.246 31.823 0.012 0.000 0.646 289 V HN 0.500 nan 8.190 nan 0.000 0.447 290 A N -0.016 122.708 122.820 -0.160 0.000 1.883 290 A HA -0.157 4.163 4.320 0.000 0.000 0.217 290 A C 2.430 179.883 177.584 -0.219 0.000 1.186 290 A CA 2.295 54.235 52.037 -0.161 0.000 0.624 290 A CB -0.856 18.067 19.000 -0.127 0.000 0.822 290 A HN 0.588 nan 8.150 nan 0.000 0.444 291 A N -0.308 122.336 122.820 -0.292 0.000 1.902 291 A HA 0.186 4.506 4.320 0.000 0.000 0.217 291 A C 2.501 179.839 177.584 -0.411 0.000 1.181 291 A CA 2.064 53.902 52.037 -0.331 0.000 0.623 291 A CB -0.986 17.792 19.000 -0.371 0.000 0.818 291 A HN 1.067 nan 8.150 nan 0.000 0.443 292 A N -0.145 122.348 122.820 -0.545 0.000 1.902 292 A HA 0.189 4.509 4.320 0.000 0.000 0.217 292 A C 2.457 179.788 177.584 -0.423 0.000 1.181 292 A CA 1.922 53.583 52.037 -0.626 0.000 0.623 292 A CB -0.940 17.686 19.000 -0.624 0.000 0.818 292 A HN 1.067 nan 8.150 nan 0.000 0.443 293 A N -0.429 122.220 122.820 -0.285 0.000 2.019 293 A HA 0.234 4.554 4.320 0.000 0.000 0.219 293 A C 2.259 179.729 177.584 -0.191 0.000 1.164 293 A CA 1.746 53.662 52.037 -0.201 0.000 0.644 293 A CB -0.639 18.275 19.000 -0.143 0.000 0.805 293 A HN 1.029 nan 8.150 nan 0.000 0.449 294 A N -0.737 121.960 122.820 -0.205 0.000 2.178 294 A HA 0.409 4.729 4.320 0.000 0.000 0.211 294 A C 0.885 178.364 177.584 -0.175 0.000 1.157 294 A CA -0.253 51.683 52.037 -0.168 0.000 0.780 294 A CB -0.365 18.544 19.000 -0.152 0.000 0.828 294 A HN 0.430 nan 8.150 nan 0.000 0.476 295 L N 0.894 121.979 121.223 -0.229 0.000 2.485 295 L HA 0.053 4.393 4.340 0.000 0.000 0.275 295 L C 0.528 177.301 176.870 -0.162 0.000 1.207 295 L CA 0.246 54.958 54.840 -0.212 0.000 0.855 295 L CB 0.396 42.270 42.059 -0.308 0.000 1.114 295 L HN 0.280 nan 8.230 nan 0.000 0.485 299 D N 1.475 121.910 120.400 0.058 0.000 2.662 299 D HA 0.083 4.724 4.640 0.000 0.000 0.237 299 D C -0.723 175.625 176.300 0.080 0.000 1.154 299 D CA -0.890 53.175 54.000 0.108 0.000 0.861 299 D CB 1.396 42.220 40.800 0.040 0.000 1.146 299 D HN 0.077 nan 8.370 nan 0.000 0.518 300 P HA -0.046 nan 4.420 nan 0.000 0.237 300 P C 1.446 178.755 177.300 0.016 0.000 1.178 300 P CA 0.360 63.482 63.100 0.037 0.000 0.766 300 P CB 0.241 31.948 31.700 0.011 0.000 0.876 301 L N -0.858 120.376 121.223 0.018 0.000 2.478 301 L HA 0.050 4.391 4.340 0.000 0.000 0.223 301 L C 0.822 177.695 176.870 0.005 0.000 1.140 301 L CA 0.222 55.068 54.840 0.009 0.000 0.842 301 L CB -0.170 41.894 42.059 0.010 0.000 0.953 301 L HN -0.228 nan 8.230 nan 0.000 0.452 302 V N 0.777 120.694 119.914 0.005 0.000 2.385 302 V HA 0.014 4.135 4.120 0.000 0.000 0.269 302 V C 1.427 177.518 176.094 -0.006 0.000 1.043 302 V CA -0.113 62.185 62.300 -0.003 0.000 0.906 302 V CB 1.318 33.136 31.823 -0.008 0.000 0.995 302 V HN 0.223 nan 8.190 nan 0.000 0.467 303 E N 4.233 124.428 120.200 -0.008 0.000 2.171 303 E HA -0.237 4.113 4.350 0.000 0.000 0.197 303 E C 1.886 178.478 176.600 -0.014 0.000 0.997 303 E CA 1.957 58.351 56.400 -0.010 0.000 0.810 303 E CB 0.360 30.054 29.700 -0.010 0.000 0.738 303 E HN 0.957 nan 8.360 nan 0.000 0.467 304 E N -0.117 120.072 120.200 -0.018 0.000 2.481 304 E HA -0.024 4.326 4.350 0.000 0.000 0.195 304 E C 0.211 176.795 176.600 -0.028 0.000 1.047 304 E CA -0.228 56.158 56.400 -0.024 0.000 0.867 304 E CB 0.009 29.693 29.700 -0.027 0.000 0.858 304 E HN -0.040 nan 8.360 nan 0.000 0.513 305 N N 1.922 120.609 118.700 -0.022 0.000 2.513 305 N HA -0.001 4.740 4.740 0.000 0.000 0.268 305 N C 0.031 175.530 175.510 -0.019 0.000 1.180 305 N CA 0.038 53.074 53.050 -0.023 0.000 0.948 305 N CB 1.260 39.742 38.487 -0.007 0.000 1.083 305 N HN 0.173 nan 8.380 nan 0.000 0.455 306 D N 1.145 121.527 120.400 -0.030 0.000 2.301 306 D HA 0.097 4.737 4.640 0.000 0.000 0.206 306 D C 0.236 176.531 176.300 -0.008 0.000 0.979 306 D CA 0.783 54.766 54.000 -0.028 0.000 0.874 306 D CB 0.831 41.596 40.800 -0.058 0.000 0.968 306 D HN 0.346 nan 8.370 nan 0.000 0.510 307 L N 0.251 121.475 121.223 0.002 0.000 2.386 307 L HA 0.547 4.887 4.340 0.000 0.000 0.271 307 L C 0.663 177.581 176.870 0.079 0.000 0.993 307 L CA -0.852 54.009 54.840 0.035 0.000 0.819 307 L CB 2.556 44.634 42.059 0.031 0.000 1.294 307 L HN -0.151 nan 8.230 nan 0.000 0.414 308 G N 1.599 110.435 108.800 0.059 0.000 2.671 308 G HA2 0.695 4.655 3.960 0.000 0.000 0.275 308 G HA3 0.695 4.655 3.960 0.000 0.000 0.275 308 G C -2.730 172.139 174.900 -0.052 0.000 1.368 308 G CA -1.101 44.034 45.100 0.058 0.000 1.044 308 G HN 0.338 nan 8.290 nan 0.000 0.543 312 R N -0.777 119.382 120.500 -0.569 0.000 2.561 312 R HA 0.578 4.918 4.340 0.000 0.000 0.297 312 R C -0.206 175.962 176.300 -0.221 0.000 0.969 312 R CA -0.709 55.180 56.100 -0.353 0.000 0.879 312 R CB 1.011 31.124 30.300 -0.312 0.000 1.178 312 R HN 0.237 nan 8.270 nan 0.000 0.445 313 F N 1.516 121.394 119.950 -0.121 0.000 2.171 313 F HA -0.253 4.274 4.527 0.000 0.000 0.300 313 F C 2.285 178.065 175.800 -0.033 0.000 1.090 313 F CA 1.822 59.782 58.000 -0.066 0.000 1.293 313 F CB 0.047 39.017 39.000 -0.050 0.000 1.013 313 F HN 0.633 nan 8.300 nan 0.000 0.486 314 D N 0.315 120.806 120.400 0.153 0.000 2.178 314 D HA -0.174 4.466 4.640 0.000 0.000 0.202 314 D C 1.953 178.296 176.300 0.072 0.000 0.974 314 D CA 1.255 55.317 54.000 0.103 0.000 0.841 314 D CB -0.993 39.859 40.800 0.087 0.000 0.953 314 D HN 0.304 nan 8.370 nan 0.000 0.478 315 L N -0.350 120.901 121.223 0.047 0.000 2.156 315 L HA 0.020 4.360 4.340 0.000 0.000 0.208 315 L C 2.919 179.798 176.870 0.016 0.000 1.095 315 L CA 0.673 55.549 54.840 0.059 0.000 0.770 315 L CB -0.438 41.686 42.059 0.109 0.000 0.914 315 L HN 0.027 nan 8.230 nan 0.000 0.439 316 R N 0.461 120.944 120.500 -0.029 0.000 2.081 316 R HA -0.180 4.160 4.340 0.000 0.000 0.235 316 R C 1.821 178.114 176.300 -0.012 0.000 1.131 316 R CA 1.752 57.813 56.100 -0.065 0.000 0.960 316 R CB -0.086 30.184 30.300 -0.049 0.000 0.856 316 R HN 0.297 nan 8.270 nan 0.000 0.436 317 D N 0.296 120.733 120.400 0.063 0.000 2.123 317 D HA -0.215 4.426 4.640 0.000 0.000 0.196 317 D C 1.682 178.037 176.300 0.091 0.000 0.992 317 D CA 1.426 55.491 54.000 0.108 0.000 0.833 317 D CB -0.174 40.692 40.800 0.110 0.000 0.954 317 D HN 0.475 nan 8.370 nan 0.000 0.455 318 E N 0.135 120.371 120.200 0.059 0.000 2.072 318 E HA -0.165 4.185 4.350 0.000 0.000 0.191 318 E C 2.220 178.831 176.600 0.019 0.000 0.985 318 E CA 0.433 56.861 56.400 0.048 0.000 0.801 318 E CB -0.120 29.613 29.700 0.055 0.000 0.750 318 E HN 0.089 nan 8.360 nan 0.000 0.452 319 L N 0.873 122.079 121.223 -0.028 0.000 2.042 319 L HA -0.193 4.147 4.340 0.000 0.000 0.210 319 L C 2.430 179.226 176.870 -0.123 0.000 1.076 319 L CA 2.323 57.099 54.840 -0.106 0.000 0.749 319 L CB -0.705 41.216 42.059 -0.230 0.000 0.893 319 L HN 0.282 nan 8.230 nan 0.000 0.432 320 H N -0.739 118.195 119.070 -0.227 0.000 2.353 320 H HA -0.144 4.412 4.556 0.000 0.000 0.300 320 H C 2.193 177.548 175.328 0.046 0.000 1.090 320 H CA 2.102 58.125 56.048 -0.042 0.000 1.327 320 H CB 0.007 29.845 29.762 0.127 0.000 1.383 320 H HN 0.488 nan 8.280 nan 0.000 0.508 321 Q N -0.136 119.655 119.800 -0.015 0.000 2.124 321 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 321 Q C 2.292 178.266 176.000 -0.044 0.000 0.977 321 Q CA 1.607 57.378 55.803 -0.054 0.000 0.850 321 Q CB -0.026 28.720 28.738 0.012 0.000 0.901 321 Q HN 0.694 nan 8.270 nan 0.000 0.429 322 Q N -0.268 119.522 119.800 -0.016 0.000 2.124 322 Q HA -0.123 4.217 4.340 0.000 0.000 0.202 322 Q C 2.213 178.218 176.000 0.008 0.000 0.977 322 Q CA 1.321 57.128 55.803 0.006 0.000 0.850 322 Q CB 0.038 28.788 28.738 0.020 0.000 0.901 322 Q HN 0.185 nan 8.270 nan 0.000 0.429 323 V N 0.994 120.908 119.914 0.001 0.000 2.307 323 V HA -0.282 3.838 4.120 0.000 0.000 0.245 323 V C 2.139 178.224 176.094 -0.014 0.000 1.045 323 V CA 1.820 64.143 62.300 0.039 0.000 1.024 323 V CB -0.566 31.343 31.823 0.143 0.000 0.651 323 V HN 0.371 nan 8.190 nan 0.000 0.449 324 Q N -0.104 119.623 119.800 -0.122 0.000 2.061 324 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 324 Q C 2.449 178.427 176.000 -0.037 0.000 0.984 324 Q CA 1.982 57.715 55.803 -0.116 0.000 0.846 324 Q CB -0.473 28.148 28.738 -0.195 0.000 0.902 324 Q HN 0.672 nan 8.270 nan 0.000 0.421 325 A N 0.536 123.342 122.820 -0.023 0.000 1.908 325 A HA -0.221 4.099 4.320 0.000 0.000 0.218 325 A C 2.285 179.882 177.584 0.021 0.000 1.181 325 A CA 1.902 53.942 52.037 0.006 0.000 0.627 325 A CB -0.651 18.358 19.000 0.015 0.000 0.818 325 A HN 0.293 nan 8.150 nan 0.000 0.445 326 S N -0.438 115.281 115.700 0.031 0.000 2.359 326 S HA -0.146 4.324 4.470 0.000 0.000 0.224 326 S C 1.885 176.511 174.600 0.043 0.000 1.035 326 S CA 1.503 59.732 58.200 0.048 0.000 1.018 326 S CB -0.569 62.671 63.200 0.065 0.000 0.876 326 S HN 0.347 nan 8.310 nan 0.000 0.448 327 V N 2.052 121.989 119.914 0.038 0.000 2.343 327 V HA -0.187 3.933 4.120 0.000 0.000 0.247 327 V C 2.645 178.755 176.094 0.028 0.000 1.051 327 V CA 1.621 63.943 62.300 0.037 0.000 1.036 327 V CB -1.223 30.622 31.823 0.037 0.000 0.654 327 V HN 0.549 nan 8.190 nan 0.000 0.451 328 A N -0.440 122.392 122.820 0.021 0.000 1.972 328 A HA -0.240 4.080 4.320 0.000 0.000 0.219 328 A C 2.106 179.703 177.584 0.021 0.000 1.169 328 A CA 1.814 53.862 52.037 0.019 0.000 0.635 328 A CB -0.425 18.584 19.000 0.014 0.000 0.810 328 A HN 0.646 nan 8.150 nan 0.000 0.446 329 E N -2.003 118.212 120.200 0.025 0.000 2.427 329 E HA 0.219 4.570 4.350 0.000 0.000 0.196 329 E C 1.159 177.773 176.600 0.023 0.000 1.028 329 E CA 0.369 56.783 56.400 0.024 0.000 0.864 329 E CB -0.009 29.709 29.700 0.030 0.000 0.813 329 E HN 0.745 nan 8.360 nan 0.000 0.514 330 G N 0.614 109.430 108.800 0.027 0.000 2.205 330 G HA2 -0.183 3.777 3.960 0.000 0.000 0.180 330 G HA3 -0.183 3.777 3.960 0.000 0.000 0.180 330 G C 0.336 175.256 174.900 0.033 0.000 1.004 330 G CA -0.230 44.885 45.100 0.026 0.000 0.670 330 G HN 0.409 nan 8.290 nan 0.000 0.496 331 A N 0.172 123.017 122.820 0.042 0.000 2.483 331 A HA 0.637 4.958 4.320 0.000 0.000 0.238 331 A C 0.686 178.302 177.584 0.052 0.000 1.070 331 A CA 0.817 52.885 52.037 0.053 0.000 0.770 331 A CB 0.236 19.277 19.000 0.067 0.000 1.008 331 A HN 0.798 nan 8.150 nan 0.000 0.497 332 R N 1.702 122.236 120.500 0.056 0.000 2.255 332 R HA 0.439 4.780 4.340 0.000 0.000 0.326 332 R C -1.104 175.236 176.300 0.065 0.000 0.986 332 R CA -0.663 55.469 56.100 0.054 0.000 0.847 332 R CB 0.541 30.870 30.300 0.049 0.000 1.111 332 R HN 0.607 nan 8.270 nan 0.000 0.452 333 L N 6.539 127.801 121.223 0.064 0.000 2.325 333 L HA 0.177 4.517 4.340 0.000 0.000 0.284 333 L C 0.051 176.959 176.870 0.064 0.000 1.089 333 L CA 0.430 55.315 54.840 0.074 0.000 0.836 333 L CB 0.847 42.950 42.059 0.073 0.000 1.184 333 L HN 0.868 nan 8.230 nan 0.000 0.444 334 L N 5.079 126.346 121.223 0.074 0.000 2.477 334 L HA 0.254 4.594 4.340 0.000 0.000 0.220 334 L C -0.259 176.641 176.870 0.050 0.000 1.106 334 L CA 0.109 54.986 54.840 0.060 0.000 0.851 334 L CB 0.160 42.261 42.059 0.070 0.000 0.994 334 L HN 0.521 nan 8.230 nan 0.000 0.462 335 L N -1.134 120.127 121.223 0.063 0.000 2.591 335 L HA 0.649 4.990 4.340 0.000 0.000 0.257 335 L C 0.073 176.972 176.870 0.048 0.000 0.935 335 L CA 0.414 55.277 54.840 0.039 0.000 0.873 335 L CB 1.543 43.622 42.059 0.034 0.000 1.397 335 L HN 0.129 nan 8.230 nan 0.000 0.414 336 G N 2.872 111.674 108.800 0.003 0.000 2.531 336 G HA2 0.217 4.177 3.960 0.000 0.000 0.274 336 G HA3 0.217 4.177 3.960 0.000 0.000 0.274 336 G C 0.907 175.800 174.900 -0.012 0.000 1.159 336 G CA 0.652 45.733 45.100 -0.032 0.000 0.969 336 G HN 2.447 nan 8.290 nan 0.000 0.554 337 G N -0.555 108.252 108.800 0.011 0.000 2.176 337 G HA2 0.025 3.985 3.960 0.000 0.000 0.252 337 G HA3 0.025 3.985 3.960 0.000 0.000 0.252 337 G C -0.006 174.938 174.900 0.074 0.000 1.024 337 G CA 1.766 46.957 45.100 0.152 0.000 0.755 337 G HN 1.354 nan 8.290 nan 0.000 0.507 338 E N -0.587 119.390 120.200 -0.372 0.000 2.340 338 E HA 0.408 4.758 4.350 0.000 0.000 0.273 338 E C -0.250 175.898 176.600 -0.754 0.000 0.891 338 E CA -1.081 55.092 56.400 -0.379 0.000 0.757 338 E CB 1.732 31.315 29.700 -0.196 0.000 1.231 338 E HN 0.254 nan 8.360 nan 0.000 0.439 339 K N 1.658 121.794 120.400 -0.441 0.000 2.326 339 K HA 0.227 4.547 4.320 0.000 0.000 0.275 339 K C -0.047 176.470 176.600 -0.139 0.000 1.018 339 K CA -0.361 55.817 56.287 -0.181 0.000 0.962 339 K CB 0.560 33.030 32.500 -0.051 0.000 0.953 339 K HN 0.253 nan 8.250 nan 0.000 0.475 340 I N 2.497 123.035 120.570 -0.053 0.000 2.395 340 I HA 0.097 4.267 4.170 0.000 0.000 0.289 340 I C 0.787 176.912 176.117 0.013 0.000 1.023 340 I CA -0.507 60.772 61.300 -0.035 0.000 1.350 340 I CB 0.640 38.627 38.000 -0.022 0.000 1.409 340 I HN 0.691 nan 8.210 nan 0.000 0.507 341 A N 4.650 127.464 122.820 -0.010 0.000 2.498 341 A HA 0.594 4.915 4.320 0.000 0.000 0.239 341 A C 0.728 178.330 177.584 0.030 0.000 1.068 341 A CA 0.758 52.801 52.037 0.011 0.000 0.766 341 A CB -0.002 18.994 19.000 -0.007 0.000 1.003 341 A HN 1.231 nan 8.150 nan 0.000 0.497 342 G N 0.733 109.567 108.800 0.057 0.000 2.353 342 G HA2 0.092 4.052 3.960 0.000 0.000 0.424 342 G HA3 0.092 4.052 3.960 0.000 0.000 0.424 342 G C -0.043 174.930 174.900 0.123 0.000 1.320 342 G CA -0.029 45.115 45.100 0.073 0.000 0.995 342 G HN 0.585 nan 8.290 nan 0.000 0.580 343 E N -0.396 119.882 120.200 0.129 0.000 2.442 343 E HA 0.171 4.521 4.350 0.000 0.000 0.195 343 E C 1.657 178.417 176.600 0.266 0.000 1.030 343 E CA 0.473 56.964 56.400 0.151 0.000 0.869 343 E CB 0.453 30.208 29.700 0.092 0.000 0.857 343 E HN 0.687 nan 8.360 nan 0.000 0.505 344 G N 1.256 110.220 108.800 0.272 0.000 2.563 344 G HA2 0.009 3.969 3.960 0.000 0.000 0.283 344 G HA3 0.009 3.969 3.960 0.000 0.000 0.283 344 G C 0.049 175.000 174.900 0.084 0.000 1.309 344 G CA -0.413 44.815 45.100 0.213 0.000 1.022 344 G HN 0.011 nan 8.290 nan 0.000 0.501 345 N N -1.035 117.415 118.700 -0.417 0.000 2.761 345 N HA 0.223 4.963 4.740 0.000 0.000 0.317 345 N C -1.328 173.929 175.510 -0.421 0.000 1.546 345 N CA -0.467 52.202 53.050 -0.635 0.000 1.015 345 N CB -0.207 37.472 38.487 -1.346 0.000 1.343 345 N HN 0.363 nan 8.380 nan 0.000 0.504 346 Y N 0.278 120.529 120.300 -0.083 0.000 2.308 346 Y HA 0.333 4.883 4.550 0.000 0.000 0.329 346 Y C -0.465 175.461 175.900 0.043 0.000 1.111 346 Y CA -0.470 57.612 58.100 -0.030 0.000 1.179 346 Y CB 0.798 39.234 38.460 -0.041 0.000 1.201 346 Y HN 0.136 nan 8.280 nan 0.000 0.483 347 Y N 1.743 122.098 120.300 0.091 0.000 2.391 347 Y HA 0.677 5.227 4.550 0.000 0.000 0.341 347 Y C -0.215 175.730 175.900 0.075 0.000 0.965 347 Y CA -1.493 56.642 58.100 0.058 0.000 1.067 347 Y CB 1.116 39.600 38.460 0.041 0.000 1.199 347 Y HN 0.767 nan 8.280 nan 0.000 0.450 348 A N 4.028 126.609 122.820 -0.399 0.000 2.531 348 A HA 0.490 4.810 4.320 0.000 0.000 0.236 348 A C 0.171 177.750 177.584 -0.008 0.000 1.062 348 A CA 0.106 52.026 52.037 -0.194 0.000 0.760 348 A CB -0.445 18.401 19.000 -0.257 0.000 0.995 348 A HN 1.126 nan 8.150 nan 0.000 0.501 349 A N 2.863 125.685 122.820 0.004 0.000 2.548 349 A HA 0.484 4.804 4.320 0.000 0.000 0.247 349 A C 0.619 178.270 177.584 0.112 0.000 1.067 349 A CA 0.721 52.790 52.037 0.052 0.000 0.757 349 A CB -0.414 18.432 19.000 -0.257 0.000 0.996 349 A HN 0.899 nan 8.150 nan 0.000 0.504 350 T N 1.961 116.695 114.554 0.301 0.000 2.876 350 T HA 0.565 4.915 4.350 0.000 0.000 0.289 350 T C -0.729 174.166 174.700 0.325 0.000 1.014 350 T CA -0.396 61.867 62.100 0.271 0.000 0.986 350 T CB 1.582 70.651 68.868 0.334 0.000 1.021 350 T HN 0.507 nan 8.240 nan 0.000 0.458 351 V N 3.935 123.996 119.914 0.246 0.000 2.525 351 V HA 0.493 4.613 4.120 0.000 0.000 0.299 351 V C -0.710 175.487 176.094 0.170 0.000 1.034 351 V CA -0.809 61.639 62.300 0.248 0.000 0.863 351 V CB 1.608 33.590 31.823 0.265 0.000 0.999 351 V HN 0.712 nan 8.190 nan 0.000 0.423 352 L N 4.408 125.725 121.223 0.156 0.000 2.296 352 L HA 0.896 5.236 4.340 0.000 0.000 0.286 352 L C 0.376 177.312 176.870 0.109 0.000 1.023 352 L CA -0.195 54.719 54.840 0.124 0.000 0.812 352 L CB 1.694 43.827 42.059 0.122 0.000 1.223 352 L HN 0.779 nan 8.230 nan 0.000 0.421 353 A N 1.255 124.130 122.820 0.091 0.000 2.347 353 A HA 0.631 4.951 4.320 0.000 0.000 0.301 353 A C -0.277 177.349 177.584 0.070 0.000 1.163 353 A CA -0.439 51.647 52.037 0.081 0.000 0.860 353 A CB 0.733 19.777 19.000 0.074 0.000 1.367 353 A HN 0.807 nan 8.150 nan 0.000 0.461 354 D N -1.131 119.305 120.400 0.060 0.000 2.751 354 D HA -0.127 4.513 4.640 0.000 0.000 0.233 354 D C -0.255 176.070 176.300 0.042 0.000 1.149 354 D CA 1.092 55.118 54.000 0.045 0.000 0.682 354 D CB -1.904 38.919 40.800 0.038 0.000 1.068 354 D HN 0.315 nan 8.370 nan 0.000 0.429 355 V N 0.832 120.782 119.914 0.060 0.000 2.488 355 V HA 0.371 4.491 4.120 0.000 0.000 0.277 355 V C 1.233 177.324 176.094 -0.006 0.000 1.046 355 V CA 0.274 62.617 62.300 0.070 0.000 0.986 355 V CB 1.515 33.429 31.823 0.152 0.000 0.989 355 V HN 0.349 nan 8.190 nan 0.000 0.475 356 T N 2.998 117.511 114.554 -0.068 0.000 2.950 356 T HA 0.478 4.828 4.350 0.000 0.000 0.288 356 T C -2.059 172.401 174.700 -0.400 0.000 1.035 356 T CA -2.188 59.784 62.100 -0.213 0.000 1.028 356 T CB 1.911 70.709 68.868 -0.117 0.000 1.109 356 T HN 0.358 nan 8.240 nan 0.000 0.514 357 P HA -0.007 nan 4.420 nan 0.000 0.225 357 P C 0.455 177.637 177.300 -0.196 0.000 1.148 357 P CA 0.808 63.384 63.100 -0.872 0.000 0.779 357 P CB -0.059 31.266 31.700 -0.626 0.000 0.780 361 A N 0.212 123.103 122.820 0.118 0.000 2.121 361 A HA 0.220 4.540 4.320 0.000 0.000 0.218 361 A C 1.613 179.272 177.584 0.125 0.000 1.154 361 A CA 1.289 53.390 52.037 0.107 0.000 0.679 361 A CB -0.670 18.397 19.000 0.112 0.000 0.795 361 A HN 0.489 nan 8.150 nan 0.000 0.458 362 F N -0.522 119.445 119.950 0.029 0.000 2.505 362 F HA 0.148 4.675 4.527 0.000 0.000 0.289 362 F C 2.281 178.114 175.800 0.055 0.000 1.101 362 F CA 0.655 58.671 58.000 0.026 0.000 1.446 362 F CB 0.258 39.271 39.000 0.022 0.000 1.123 362 F HN 0.055 nan 8.300 nan 0.000 0.564 363 R N -0.621 120.019 120.500 0.232 0.000 2.237 363 R HA 0.162 4.502 4.340 0.000 0.000 0.195 363 R C 0.071 176.502 176.300 0.217 0.000 0.956 363 R CA 0.145 56.370 56.100 0.209 0.000 1.029 363 R CB 0.089 30.508 30.300 0.199 0.000 0.972 363 R HN 0.204 nan 8.270 nan 0.000 0.493 364 Q N 1.041 120.939 119.800 0.163 0.000 2.248 364 Q HA 0.190 4.530 4.340 0.000 0.000 0.263 364 Q C -0.666 175.347 176.000 0.022 0.000 1.007 364 Q CA -0.379 55.531 55.803 0.179 0.000 0.877 364 Q CB 1.595 30.404 28.738 0.119 0.000 1.315 364 Q HN 0.064 nan 8.270 nan 0.000 0.454 365 E N 1.869 122.011 120.200 -0.097 0.000 2.265 365 E HA 0.109 4.459 4.350 0.000 0.000 0.272 365 E C -0.726 175.842 176.600 -0.054 0.000 1.067 365 E CA -0.092 56.144 56.400 -0.274 0.000 0.900 365 E CB 0.293 29.739 29.700 -0.423 0.000 1.017 365 E HN 0.371 nan 8.360 nan 0.000 0.431 366 L N 6.375 127.575 121.223 -0.039 0.000 2.302 366 L HA 0.213 4.553 4.340 0.000 0.000 0.285 366 L C -0.105 176.816 176.870 0.085 0.000 1.090 366 L CA -0.457 54.398 54.840 0.026 0.000 0.866 366 L CB 0.044 42.104 42.059 0.001 0.000 1.244 366 L HN 0.639 nan 8.230 nan 0.000 0.435 367 F N 3.354 123.278 119.950 -0.043 0.000 2.660 367 F HA 0.550 5.077 4.527 0.000 0.000 0.342 367 F C 0.803 176.621 175.800 0.029 0.000 1.195 367 F CA -0.355 57.641 58.000 -0.008 0.000 1.300 367 F CB 0.196 39.212 39.000 0.027 0.000 1.616 367 F HN 0.420 nan 8.300 nan 0.000 0.592 368 G N 1.685 110.445 108.800 -0.066 0.000 2.430 368 G HA2 0.249 4.210 3.960 0.000 0.000 0.300 368 G HA3 0.249 4.210 3.960 0.000 0.000 0.300 368 G C -3.113 171.789 174.900 0.004 0.000 1.330 368 G CA -0.834 44.239 45.100 -0.044 0.000 0.813 368 G HN -0.156 nan 8.290 nan 0.000 0.487 369 P HA 0.361 nan 4.420 nan 0.000 0.220 369 P C -0.608 176.894 177.300 0.338 0.000 1.806 369 P CA -0.095 63.171 63.100 0.277 0.000 0.976 369 P CB 0.361 32.311 31.700 0.417 0.000 1.952 370 V N 1.528 121.532 119.914 0.150 0.000 2.419 370 V HA 0.525 4.645 4.120 0.000 0.000 0.287 370 V C 0.390 176.556 176.094 0.119 0.000 1.017 370 V CA -1.008 61.405 62.300 0.189 0.000 0.844 370 V CB 1.610 33.528 31.823 0.158 0.000 1.011 370 V HN 0.332 nan 8.190 nan 0.000 0.429 371 A N 3.968 126.911 122.820 0.205 0.000 2.327 371 A HA 0.898 5.218 4.320 0.000 0.000 0.283 371 A C 0.304 178.001 177.584 0.189 0.000 1.127 371 A CA -0.047 52.128 52.037 0.230 0.000 0.810 371 A CB 1.003 20.185 19.000 0.303 0.000 1.066 371 A HN 1.320 nan 8.150 nan 0.000 0.492 372 A N 2.402 125.329 122.820 0.177 0.000 2.303 372 A HA 0.699 5.019 4.320 0.000 0.000 0.320 372 A C -0.553 177.147 177.584 0.193 0.000 1.192 372 A CA -0.391 51.735 52.037 0.147 0.000 0.821 372 A CB 0.338 19.397 19.000 0.097 0.000 1.188 372 A HN 0.725 nan 8.150 nan 0.000 0.492 373 I N 2.096 122.758 120.570 0.153 0.000 2.406 373 I HA 0.407 4.577 4.170 0.000 0.000 0.290 373 I C -0.287 175.900 176.117 0.117 0.000 0.999 373 I CA -0.182 61.200 61.300 0.138 0.000 1.124 373 I CB 2.360 40.414 38.000 0.090 0.000 1.289 373 I HN 0.539 nan 8.210 nan 0.000 0.441 374 T N 5.207 119.827 114.554 0.110 0.000 2.841 374 T HA 0.437 4.788 4.350 0.000 0.000 0.283 374 T C -0.283 174.434 174.700 0.027 0.000 1.000 374 T CA -0.473 61.674 62.100 0.079 0.000 0.977 374 T CB 2.193 71.147 68.868 0.144 0.000 0.979 374 T HN 0.140 nan 8.240 nan 0.000 0.446 375 V N 2.694 122.617 119.914 0.015 0.000 2.465 375 V HA 0.676 4.796 4.120 0.000 0.000 0.279 375 V C 0.438 176.531 176.094 -0.001 0.000 1.045 375 V CA -0.740 61.569 62.300 0.014 0.000 0.938 375 V CB 1.038 32.884 31.823 0.039 0.000 0.986 375 V HN 1.070 nan 8.190 nan 0.000 0.467 376 A N 4.074 126.888 122.820 -0.010 0.000 2.305 376 A HA 0.553 4.873 4.320 0.000 0.000 0.322 376 A C 0.895 178.586 177.584 0.179 0.000 1.187 376 A CA -0.642 51.395 52.037 0.000 0.000 0.825 376 A CB 0.787 19.738 19.000 -0.082 0.000 1.164 376 A HN 0.897 nan 8.150 nan 0.000 0.498 377 K N 0.254 120.908 120.400 0.423 0.000 2.097 377 K HA -0.058 4.262 4.320 0.000 0.000 0.206 377 K C -0.199 176.468 176.600 0.112 0.000 1.049 377 K CA 1.922 58.318 56.287 0.182 0.000 0.933 377 K CB -0.053 32.481 32.500 0.057 0.000 0.717 377 K HN 0.965 nan 8.250 nan 0.000 0.442 378 D N -3.824 116.656 120.400 0.134 0.000 2.792 378 D HA 0.180 4.820 4.640 0.000 0.000 0.335 378 D C 0.075 176.422 176.300 0.080 0.000 1.353 378 D CA -0.214 53.834 54.000 0.080 0.000 0.839 378 D CB 0.181 41.015 40.800 0.056 0.000 1.396 378 D HN -0.151 nan 8.370 nan 0.000 0.479 379 A N 0.019 122.870 122.820 0.051 0.000 1.902 379 A HA 0.188 4.508 4.320 0.000 0.000 0.217 379 A C 2.157 179.769 177.584 0.047 0.000 1.181 379 A CA 2.901 54.960 52.037 0.037 0.000 0.623 379 A CB -1.364 17.649 19.000 0.022 0.000 0.818 379 A HN 0.833 nan 8.150 nan 0.000 0.443 380 A N -1.268 121.587 122.820 0.057 0.000 1.902 380 A HA -0.236 4.084 4.320 0.000 0.000 0.217 380 A C 2.096 179.748 177.584 0.113 0.000 1.181 380 A CA 1.807 53.882 52.037 0.063 0.000 0.623 380 A CB -1.008 18.021 19.000 0.048 0.000 0.818 380 A HN 0.802 nan 8.150 nan 0.000 0.443 381 H N -0.699 118.376 119.070 0.007 0.000 2.389 381 H HA -0.029 4.528 4.556 0.000 0.000 0.299 381 H C 2.330 177.671 175.328 0.021 0.000 1.081 381 H CA 0.955 57.008 56.048 0.009 0.000 1.345 381 H CB 0.037 29.801 29.762 0.004 0.000 1.393 381 H HN 0.478 nan 8.280 nan 0.000 0.520 382 A N 1.157 123.981 122.820 0.007 0.000 1.877 382 A HA -0.169 4.151 4.320 0.000 0.000 0.216 382 A C 2.373 179.944 177.584 -0.021 0.000 1.186 382 A CA 1.415 53.418 52.037 -0.056 0.000 0.620 382 A CB -0.805 18.182 19.000 -0.022 0.000 0.822 382 A HN 0.444 nan 8.150 nan 0.000 0.443 383 L N -0.156 121.072 121.223 0.009 0.000 2.012 383 L HA -0.107 4.234 4.340 0.000 0.000 0.210 383 L C 2.679 179.567 176.870 0.029 0.000 1.073 383 L CA 2.346 57.194 54.840 0.014 0.000 0.748 383 L CB -0.869 41.199 42.059 0.016 0.000 0.891 383 L HN 0.353 nan 8.230 nan 0.000 0.431 384 A N -0.647 122.203 122.820 0.051 0.000 1.902 384 A HA -0.169 4.151 4.320 0.000 0.000 0.217 384 A C 2.272 179.903 177.584 0.079 0.000 1.181 384 A CA 1.998 54.078 52.037 0.072 0.000 0.623 384 A CB -0.910 18.160 19.000 0.118 0.000 0.818 384 A HN 0.507 nan 8.150 nan 0.000 0.443 385 L N -0.738 120.513 121.223 0.046 0.000 2.017 385 L HA -0.206 4.134 4.340 0.000 0.000 0.208 385 L C 3.131 180.130 176.870 0.215 0.000 1.073 385 L CA 1.101 56.018 54.840 0.128 0.000 0.745 385 L CB -0.603 41.461 42.059 0.008 0.000 0.894 385 L HN 0.434 nan 8.230 nan 0.000 0.432 386 A N 0.246 123.115 122.820 0.083 0.000 1.892 386 A HA -0.240 4.080 4.320 0.000 0.000 0.218 386 A C 1.974 179.572 177.584 0.025 0.000 1.188 386 A CA 2.217 54.268 52.037 0.023 0.000 0.631 386 A CB -0.595 18.401 19.000 -0.007 0.000 0.822 386 A HN 0.464 nan 8.150 nan 0.000 0.447 387 N N 0.026 118.752 118.700 0.045 0.000 2.467 387 N HA -0.030 4.710 4.740 0.000 0.000 0.184 387 N C -0.064 175.486 175.510 0.066 0.000 1.106 387 N CA 0.582 53.655 53.050 0.039 0.000 0.892 387 N CB -0.171 38.333 38.487 0.028 0.000 0.969 387 N HN 0.440 nan 8.380 nan 0.000 0.454 388 D N 0.603 121.077 120.400 0.125 0.000 2.688 388 D HA 0.112 4.752 4.640 0.000 0.000 0.228 388 D C -0.892 175.526 176.300 0.196 0.000 1.116 388 D CA 0.106 54.210 54.000 0.173 0.000 1.023 388 D CB -0.291 40.648 40.800 0.232 0.000 1.100 388 D HN -0.136 nan 8.370 nan 0.000 0.487 389 S N 1.106 116.863 115.700 0.095 0.000 2.537 389 S HA 0.205 4.675 4.470 0.000 0.000 0.270 389 S C 0.562 175.167 174.600 0.008 0.000 1.142 389 S CA -0.675 57.568 58.200 0.073 0.000 0.870 389 S CB 1.300 64.532 63.200 0.053 0.000 1.112 389 S HN 0.232 nan 8.310 nan 0.000 0.466 390 E N 1.559 121.711 120.200 -0.081 0.000 2.427 390 E HA 0.070 4.420 4.350 0.000 0.000 0.196 390 E C -0.526 175.830 176.600 -0.407 0.000 1.028 390 E CA 0.653 56.889 56.400 -0.274 0.000 0.864 390 E CB 0.142 29.590 29.700 -0.421 0.000 0.813 390 E HN 0.492 nan 8.360 nan 0.000 0.514 391 F N -0.060 119.865 119.950 -0.042 0.000 2.450 391 F HA 0.521 5.048 4.527 0.000 0.000 0.328 391 F C 1.040 176.805 175.800 -0.058 0.000 1.068 391 F CA -0.658 57.311 58.000 -0.052 0.000 1.007 391 F CB 1.669 40.630 39.000 -0.065 0.000 1.251 391 F HN -0.234 nan 8.300 nan 0.000 0.492 392 G N 1.406 110.289 108.800 0.138 0.000 4.485 392 G HA2 0.310 4.270 3.960 0.000 0.000 0.238 392 G HA3 0.310 4.270 3.960 0.000 0.000 0.238 392 G C -0.428 174.468 174.900 -0.006 0.000 1.216 392 G CA -0.161 44.963 45.100 0.039 0.000 0.611 392 G HN 0.552 nan 8.290 nan 0.000 0.422 393 L N 0.275 121.490 121.223 -0.013 0.000 2.115 393 L HA 0.613 4.953 4.340 0.000 0.000 0.200 393 L C 0.939 177.736 176.870 -0.121 0.000 1.094 393 L CA 1.510 56.291 54.840 -0.098 0.000 0.769 393 L CB 0.025 42.031 42.059 -0.088 0.000 0.931 393 L HN 0.225 nan 8.230 nan 0.000 0.455 394 S N -1.893 113.775 115.700 -0.054 0.000 2.732 394 S HA 0.906 5.377 4.470 0.000 0.000 0.293 394 S C -1.190 173.429 174.600 0.030 0.000 1.159 394 S CA -0.234 57.975 58.200 0.016 0.000 0.847 394 S CB 1.709 64.976 63.200 0.113 0.000 1.169 394 S HN 0.548 nan 8.310 nan 0.000 0.501 395 A N 0.459 123.331 122.820 0.085 0.000 2.612 395 A HA 0.800 5.120 4.320 0.000 0.000 0.293 395 A C -1.237 176.390 177.584 0.072 0.000 1.075 395 A CA -0.648 51.411 52.037 0.036 0.000 0.680 395 A CB 1.409 20.402 19.000 -0.012 0.000 1.279 395 A HN 0.553 nan 8.150 nan 0.000 0.411 396 T N 1.087 115.615 114.554 -0.043 0.000 2.876 396 T HA 0.683 5.033 4.350 0.000 0.000 0.289 396 T C -0.771 173.769 174.700 -0.268 0.000 1.014 396 T CA -0.116 61.878 62.100 -0.178 0.000 0.986 396 T CB 0.927 69.528 68.868 -0.445 0.000 1.021 396 T HN 0.500 nan 8.240 nan 0.000 0.458 397 I N 2.383 122.806 120.570 -0.245 0.000 2.466 397 I HA 0.463 4.633 4.170 0.000 0.000 0.289 397 I C -1.234 174.734 176.117 -0.248 0.000 1.026 397 I CA -0.751 60.433 61.300 -0.194 0.000 1.078 397 I CB 1.637 39.558 38.000 -0.132 0.000 1.249 397 I HN 0.490 nan 8.210 nan 0.000 0.429 398 F N 3.983 123.809 119.950 -0.207 0.000 2.388 398 F HA 0.643 5.170 4.527 0.000 0.000 0.358 398 F C 0.407 176.181 175.800 -0.044 0.000 1.122 398 F CA -0.252 57.689 58.000 -0.099 0.000 1.056 398 F CB 1.868 40.842 39.000 -0.043 0.000 1.155 398 F HN 0.348 nan 8.300 nan 0.000 0.461 399 T N 1.655 116.236 114.554 0.044 0.000 3.087 399 T HA 0.494 4.844 4.350 0.000 0.000 0.351 399 T C 0.195 174.906 174.700 0.019 0.000 1.520 399 T CA -0.044 62.084 62.100 0.047 0.000 1.111 399 T CB 1.123 69.998 68.868 0.013 0.000 1.353 399 T HN 0.584 nan 8.240 nan 0.000 0.481 400 A N 2.209 125.052 122.820 0.039 0.000 2.168 400 A HA 0.181 4.501 4.320 0.000 0.000 0.215 400 A C 0.915 178.503 177.584 0.008 0.000 1.152 400 A CA 0.713 52.765 52.037 0.026 0.000 0.716 400 A CB -0.240 18.784 19.000 0.040 0.000 0.794 400 A HN 0.712 nan 8.150 nan 0.000 0.465 401 D N 0.475 120.876 120.400 0.003 0.000 2.453 401 D HA 0.131 4.771 4.640 0.000 0.000 0.223 401 D C -0.097 176.193 176.300 -0.018 0.000 1.183 401 D CA -0.269 53.729 54.000 -0.003 0.000 0.933 401 D CB 0.292 41.093 40.800 0.001 0.000 1.038 401 D HN 0.180 nan 8.370 nan 0.000 0.513 402 D N 1.760 122.148 120.400 -0.020 0.000 2.144 402 D HA -0.127 4.513 4.640 0.000 0.000 0.199 402 D C 1.547 177.829 176.300 -0.031 0.000 0.984 402 D CA 1.086 55.067 54.000 -0.031 0.000 0.834 402 D CB 0.158 40.942 40.800 -0.026 0.000 0.955 402 D HN 0.396 nan 8.370 nan 0.000 0.465 403 T N 1.473 116.015 114.554 -0.021 0.000 2.708 403 T HA -0.128 4.222 4.350 0.000 0.000 0.266 403 T C 1.946 176.633 174.700 -0.021 0.000 1.037 403 T CA 0.486 62.574 62.100 -0.019 0.000 1.146 403 T CB -0.294 68.567 68.868 -0.012 0.000 0.865 403 T HN 0.029 nan 8.240 nan 0.000 0.435 404 L N 1.475 122.686 121.223 -0.019 0.000 2.046 404 L HA 0.088 4.428 4.340 0.000 0.000 0.208 404 L C 2.599 179.452 176.870 -0.029 0.000 1.077 404 L CA 1.883 56.712 54.840 -0.018 0.000 0.747 404 L CB -1.074 40.978 42.059 -0.011 0.000 0.896 404 L HN 0.215 nan 8.230 nan 0.000 0.432 405 A N -0.352 122.445 122.820 -0.039 0.000 1.883 405 A HA -0.173 4.147 4.320 0.000 0.000 0.217 405 A C 2.463 180.011 177.584 -0.061 0.000 1.186 405 A CA 2.117 54.118 52.037 -0.059 0.000 0.624 405 A CB -1.273 17.680 19.000 -0.079 0.000 0.822 405 A HN 0.593 nan 8.150 nan 0.000 0.444 406 A N -0.289 122.499 122.820 -0.053 0.000 1.902 406 A HA -0.038 4.282 4.320 0.000 0.000 0.217 406 A C 1.275 178.833 177.584 -0.043 0.000 1.181 406 A CA 1.158 53.164 52.037 -0.052 0.000 0.623 406 A CB -0.393 18.580 19.000 -0.044 0.000 0.818 406 A HN 0.671 nan 8.150 nan 0.000 0.443 410 A N 0.542 123.334 122.820 -0.048 0.000 2.024 410 A HA -0.079 4.241 4.320 0.000 0.000 0.220 410 A C 1.921 179.485 177.584 -0.033 0.000 1.164 410 A CA 1.793 53.806 52.037 -0.040 0.000 0.643 410 A CB -0.456 18.525 19.000 -0.032 0.000 0.806 410 A HN 0.515 nan 8.150 nan 0.000 0.451 411 R N -1.295 119.187 120.500 -0.029 0.000 2.312 411 R HA 0.323 4.663 4.340 0.000 0.000 0.205 411 R C -0.338 175.950 176.300 -0.021 0.000 0.904 411 R CA -0.289 55.798 56.100 -0.021 0.000 1.052 411 R CB -0.005 30.287 30.300 -0.014 0.000 1.014 411 R HN 0.361 nan 8.270 nan 0.000 0.503 412 L N 2.156 123.361 121.223 -0.030 0.000 2.367 412 L HA 0.060 4.401 4.340 0.000 0.000 0.275 412 L C 0.132 176.983 176.870 -0.031 0.000 1.129 412 L CA 0.215 55.037 54.840 -0.030 0.000 0.839 412 L CB 0.860 42.896 42.059 -0.039 0.000 1.133 412 L HN 0.036 nan 8.230 nan 0.000 0.453 413 E N 3.142 123.328 120.200 -0.023 0.000 2.028 413 E HA 0.244 4.594 4.350 0.000 0.000 0.275 413 E C -1.069 175.514 176.600 -0.027 0.000 1.171 413 E CA -0.225 56.161 56.400 -0.023 0.000 1.186 413 E CB 0.383 30.075 29.700 -0.013 0.000 1.256 413 E HN 0.413 nan 8.360 nan 0.000 0.474 414 C N -0.294 118.980 119.300 -0.042 0.000 3.171 414 C HA 0.370 4.830 4.460 0.000 0.000 0.336 414 C C 1.515 176.455 174.990 -0.083 0.000 1.198 414 C CA -0.756 58.229 59.018 -0.054 0.000 1.319 414 C CB 1.635 29.349 27.740 -0.044 0.000 1.682 414 C HN 0.758 nan 8.230 nan 0.000 0.497 415 G N 0.812 109.543 108.800 -0.115 0.000 2.813 415 G HA2 0.452 4.412 3.960 0.000 0.000 0.209 415 G HA3 0.452 4.412 3.960 0.000 0.000 0.209 415 G C 0.507 175.310 174.900 -0.161 0.000 1.150 415 G CA 0.790 45.796 45.100 -0.156 0.000 0.785 415 G HN 1.202 nan 8.290 nan 0.000 0.535 416 G N -0.951 107.778 108.800 -0.117 0.000 2.753 416 G HA2 0.484 4.444 3.960 0.000 0.000 0.297 416 G HA3 0.484 4.444 3.960 0.000 0.000 0.297 416 G C -1.893 172.968 174.900 -0.066 0.000 1.430 416 G CA -0.339 44.702 45.100 -0.099 0.000 1.040 416 G HN 0.232 nan 8.290 nan 0.000 0.530 417 V N 1.901 121.683 119.914 -0.219 0.000 2.525 417 V HA 0.539 4.660 4.120 0.000 0.000 0.299 417 V C -1.110 174.771 176.094 -0.355 0.000 1.034 417 V CA -0.697 61.511 62.300 -0.153 0.000 0.863 417 V CB 1.437 33.177 31.823 -0.138 0.000 0.999 417 V HN 0.630 nan 8.190 nan 0.000 0.423 418 F N 4.820 124.714 119.950 -0.094 0.000 2.411 418 F HA 0.620 5.147 4.527 0.000 0.000 0.352 418 F C 0.205 175.885 175.800 -0.201 0.000 1.123 418 F CA -0.460 57.477 58.000 -0.106 0.000 1.044 418 F CB 1.503 40.472 39.000 -0.051 0.000 1.135 418 F HN 0.255 nan 8.300 nan 0.000 0.461 419 I N 4.356 124.854 120.570 -0.119 0.000 2.339 419 I HA 0.211 4.381 4.170 0.000 0.000 0.290 419 I C -0.219 175.676 176.117 -0.371 0.000 0.994 419 I CA -0.718 60.436 61.300 -0.243 0.000 1.191 419 I CB 0.951 38.840 38.000 -0.186 0.000 1.343 419 I HN 0.593 nan 8.210 nan 0.000 0.458 420 N N 4.608 122.825 118.700 -0.805 0.000 2.714 420 N HA -0.168 4.573 4.740 0.000 0.000 0.252 420 N C -0.182 174.956 175.510 -0.620 0.000 1.014 420 N CA 1.068 53.392 53.050 -1.209 0.000 0.735 420 N CB -0.738 37.434 38.487 -0.526 0.000 0.924 420 N HN 1.015 nan 8.380 nan 0.000 0.540 421 G N -1.476 107.081 108.800 -0.405 0.000 2.634 421 G HA2 0.527 4.487 3.960 0.000 0.000 0.309 421 G HA3 0.527 4.487 3.960 0.000 0.000 0.309 421 G C -1.749 173.307 174.900 0.261 0.000 1.299 421 G CA -0.871 44.328 45.100 0.165 0.000 0.798 421 G HN 0.076 nan 8.290 nan 0.000 0.490 422 Y N 1.635 122.036 120.300 0.169 0.000 2.335 422 Y HA 0.460 5.010 4.550 0.000 0.000 0.339 422 Y C 1.188 176.911 175.900 -0.294 0.000 0.987 422 Y CA -0.499 57.641 58.100 0.067 0.000 1.140 422 Y CB 1.667 40.166 38.460 0.065 0.000 1.173 422 Y HN 0.554 nan 8.280 nan 0.000 0.486 423 S N 2.434 117.860 115.700 -0.457 0.000 2.572 423 S HA 0.794 5.265 4.470 0.000 0.000 0.279 423 S C -0.141 174.052 174.600 -0.677 0.000 1.341 423 S CA -0.335 57.012 58.200 -1.422 0.000 1.043 423 S CB 1.296 63.965 63.200 -0.884 0.000 0.887 423 S HN 0.881 nan 8.310 nan 0.000 0.516 424 A N 1.774 124.211 122.820 -0.639 0.000 2.597 424 A HA 0.687 5.008 4.320 0.000 0.000 0.292 424 A C -0.152 177.441 177.584 0.015 0.000 1.057 424 A CA -0.604 51.317 52.037 -0.193 0.000 0.674 424 A CB 0.593 19.501 19.000 -0.153 0.000 1.278 424 A HN 1.592 nan 8.150 nan 0.000 0.416 425 S N 0.757 116.405 115.700 -0.087 0.000 2.601 425 S HA 0.690 5.160 4.470 0.000 0.000 0.271 425 S C -0.588 173.968 174.600 -0.072 0.000 1.305 425 S CA -0.208 57.953 58.200 -0.065 0.000 1.022 425 S CB 1.373 64.347 63.200 -0.377 0.000 0.940 425 S HN 0.854 nan 8.310 nan 0.000 0.525 426 D N -0.184 120.216 120.400 0.000 0.000 2.886 426 D HA 0.366 5.006 4.640 0.000 0.000 0.216 426 D C 0.707 176.907 176.300 -0.167 0.000 1.256 426 D CA -0.352 53.592 54.000 -0.095 0.000 0.844 426 D CB 1.909 42.665 40.800 -0.073 0.000 1.669 426 D HN 0.569 nan 8.370 nan 0.000 0.513 427 A N 3.675 126.282 122.820 -0.355 0.000 1.997 427 A HA -0.204 4.116 4.320 0.000 0.000 0.221 427 A C 1.789 178.797 177.584 -0.961 0.000 1.172 427 A CA 1.405 53.002 52.037 -0.734 0.000 0.645 427 A CB -0.236 17.970 19.000 -1.322 0.000 0.813 427 A HN 0.645 nan 8.150 nan 0.000 0.454 428 R N -1.070 118.993 120.500 -0.728 0.000 2.307 428 R HA 0.131 4.471 4.340 0.000 0.000 0.199 428 R C 0.202 176.434 176.300 -0.113 0.000 1.000 428 R CA 0.751 56.611 56.100 -0.400 0.000 1.023 428 R CB -0.174 30.011 30.300 -0.193 0.000 0.908 428 R HN 0.546 nan 8.270 nan 0.000 0.473 429 V N -4.141 115.727 119.914 -0.076 0.000 3.078 429 V HA 0.775 4.895 4.120 0.000 0.000 0.311 429 V C -0.396 175.743 176.094 0.076 0.000 1.138 429 V CA -1.629 60.689 62.300 0.030 0.000 1.007 429 V CB 1.749 33.581 31.823 0.014 0.000 1.045 429 V HN -0.017 nan 8.190 nan 0.000 0.432 430 A N 2.672 125.509 122.820 0.028 0.000 2.498 430 A HA 0.658 4.978 4.320 0.000 0.000 0.239 430 A C -0.812 176.794 177.584 0.036 0.000 1.068 430 A CA 0.157 52.136 52.037 -0.097 0.000 0.766 430 A CB -0.111 18.506 19.000 -0.638 0.000 1.003 430 A HN 1.423 nan 8.150 nan 0.000 0.497 431 F N 1.261 121.170 119.950 -0.069 0.000 2.529 431 F HA 0.643 5.170 4.527 0.000 0.000 0.320 431 F C 0.336 176.116 175.800 -0.034 0.000 1.118 431 F CA 0.798 58.788 58.000 -0.017 0.000 0.915 431 F CB 1.933 40.957 39.000 0.039 0.000 1.161 431 F HN 1.179 nan 8.300 nan 0.000 0.445 432 G N 2.326 110.746 108.800 -0.632 0.000 2.353 432 G HA2 0.456 4.416 3.960 0.000 0.000 0.308 432 G HA3 0.456 4.416 3.960 0.000 0.000 0.308 432 G C -1.464 173.245 174.900 -0.319 0.000 1.418 432 G CA -0.206 44.667 45.100 -0.379 0.000 0.966 432 G HN 1.189 nan 8.290 nan 0.000 0.638 433 G N -1.829 106.855 108.800 -0.193 0.000 3.243 433 G HA2 1.082 5.042 3.960 0.000 0.000 0.248 433 G HA3 1.082 5.042 3.960 0.000 0.000 0.248 433 G C -0.201 174.668 174.900 -0.052 0.000 1.267 433 G CA 0.704 45.725 45.100 -0.131 0.000 0.906 433 G HN 2.129 nan 8.290 nan 0.000 0.592 434 V N -3.774 116.124 119.914 -0.027 0.000 3.156 434 V HA 0.852 4.972 4.120 0.000 0.000 0.310 434 V C 0.435 176.532 176.094 0.006 0.000 1.234 434 V CA -0.279 62.022 62.300 0.003 0.000 1.065 434 V CB 1.007 32.823 31.823 -0.013 0.000 1.088 434 V HN 1.128 nan 8.190 nan 0.000 0.451 435 K N -0.776 119.628 120.400 0.005 0.000 1.939 435 K HA -0.261 4.059 4.320 0.000 0.000 0.165 435 K C 1.000 177.578 176.600 -0.037 0.000 1.508 435 K CA 1.792 58.064 56.287 -0.025 0.000 0.525 435 K CB -1.140 31.327 32.500 -0.054 0.000 0.615 435 K HN 0.826 nan 8.250 nan 0.000 0.888 436 K N 1.096 121.418 120.400 -0.130 0.000 2.525 436 K HA 0.056 4.376 4.320 0.000 0.000 0.192 436 K C 1.479 178.048 176.600 -0.052 0.000 1.029 436 K CA 0.749 56.940 56.287 -0.160 0.000 1.029 436 K CB 0.071 32.348 32.500 -0.372 0.000 0.814 436 K HN 0.279 nan 8.250 nan 0.000 0.503 437 S N 0.458 116.175 115.700 0.028 0.000 2.515 437 S HA 0.039 4.509 4.470 0.000 0.000 0.231 437 S C 0.996 175.586 174.600 -0.015 0.000 0.987 437 S CA 0.593 58.840 58.200 0.078 0.000 0.936 437 S CB 0.141 63.386 63.200 0.075 0.000 0.766 437 S HN 0.659 nan 8.310 nan 0.000 0.528 438 G N 1.167 109.949 108.800 -0.030 0.000 2.408 438 G HA2 0.082 4.043 3.960 0.000 0.000 0.204 438 G HA3 0.082 4.043 3.960 0.000 0.000 0.204 438 G C -0.950 173.948 174.900 -0.003 0.000 1.186 438 G CA -0.410 44.608 45.100 -0.137 0.000 1.139 438 G HN 0.766 nan 8.290 nan 0.000 0.563 439 F N -2.157 117.784 119.950 -0.015 0.000 2.770 439 F HA 0.761 5.288 4.527 0.000 0.000 0.313 439 F C 0.417 176.208 175.800 -0.016 0.000 1.154 439 F CA 0.033 58.018 58.000 -0.025 0.000 0.923 439 F CB 0.964 39.950 39.000 -0.023 0.000 1.301 439 F HN 2.551 nan 8.300 nan 0.000 0.449 440 G N 1.470 110.428 108.800 0.263 0.000 2.730 440 G HA2 0.326 4.287 3.960 0.000 0.000 0.686 440 G HA3 0.326 4.287 3.960 0.000 0.000 0.686 440 G C -1.772 173.156 174.900 0.048 0.000 1.343 440 G CA -1.085 44.101 45.100 0.144 0.000 0.826 440 G HN 0.856 nan 8.290 nan 0.000 0.582 441 R N 0.436 120.967 120.500 0.051 0.000 2.686 441 R HA 0.578 4.918 4.340 0.000 0.000 0.283 441 R C -0.129 176.249 176.300 0.131 0.000 0.978 441 R CA -0.728 55.390 56.100 0.030 0.000 0.897 441 R CB 1.917 32.147 30.300 -0.116 0.000 1.192 441 R HN 0.766 nan 8.270 nan 0.000 0.457 442 E N 1.967 122.268 120.200 0.168 0.000 2.249 442 E HA 0.589 4.939 4.350 0.000 0.000 0.263 442 E C -0.086 176.649 176.600 0.226 0.000 0.950 442 E CA -0.896 55.624 56.400 0.200 0.000 0.827 442 E CB 1.725 31.533 29.700 0.181 0.000 1.220 442 E HN 0.335 nan 8.360 nan 0.000 0.411 443 L N 0.133 121.491 121.223 0.225 0.000 0.640 443 L HA -0.351 3.989 4.340 0.000 0.000 0.356 443 L C 0.806 177.839 176.870 0.273 0.000 0.995 443 L CA 0.626 55.615 54.840 0.248 0.000 1.223 443 L CB -1.459 40.678 42.059 0.129 0.000 0.095 443 L HN 0.925 nan 8.230 nan 0.000 0.099 444 S N -0.116 115.666 115.700 0.137 0.000 3.366 444 S HA -0.335 4.135 4.470 0.000 0.000 0.625 444 S C 1.103 175.794 174.600 0.153 0.000 2.797 444 S CA 2.263 60.538 58.200 0.125 0.000 3.953 444 S CB -0.530 62.731 63.200 0.102 0.000 0.301 444 S HN 1.484 nan 8.310 nan 0.000 1.237 445 H N -0.171 118.826 119.070 -0.122 0.000 2.535 445 H HA 0.322 4.878 4.556 0.000 0.000 0.273 445 H C 1.731 176.763 175.328 -0.493 0.000 0.983 445 H CA 1.357 57.155 56.048 -0.416 0.000 1.238 445 H CB -0.601 28.812 29.762 -0.582 0.000 1.412 445 H HN 0.371 nan 8.280 nan 0.000 0.562 446 F N 1.550 121.362 119.950 -0.230 0.000 2.113 446 F HA 0.044 4.572 4.527 0.000 0.000 0.297 446 F C 2.800 178.608 175.800 0.014 0.000 1.103 446 F CA 1.380 59.337 58.000 -0.070 0.000 1.248 446 F CB -0.818 38.120 39.000 -0.102 0.000 0.999 446 F HN 0.399 nan 8.300 nan 0.000 0.475 447 G N -0.254 108.684 108.800 0.231 0.000 2.443 447 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 447 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 447 G C 1.605 176.594 174.900 0.148 0.000 1.131 447 G CA 0.664 45.880 45.100 0.193 0.000 0.775 447 G HN 0.280 nan 8.290 nan 0.000 0.547 448 L N -0.278 120.990 121.223 0.075 0.000 2.072 448 L HA 0.150 4.490 4.340 0.000 0.000 0.205 448 L C 2.490 179.435 176.870 0.125 0.000 1.079 448 L CA 1.712 56.572 54.840 0.032 0.000 0.752 448 L CB -0.455 41.579 42.059 -0.041 0.000 0.906 448 L HN 0.393 nan 8.230 nan 0.000 0.436 449 H N -1.617 117.501 119.070 0.079 0.000 2.535 449 H HA 0.022 4.578 4.556 0.000 0.000 0.273 449 H C 1.680 177.052 175.328 0.072 0.000 0.983 449 H CA 0.316 56.415 56.048 0.085 0.000 1.238 449 H CB 0.424 30.220 29.762 0.056 0.000 1.412 449 H HN 0.323 nan 8.280 nan 0.000 0.562 450 E N 0.754 121.008 120.200 0.090 0.000 2.160 450 E HA -0.150 4.201 4.350 0.000 0.000 0.195 450 E C 0.174 176.481 176.600 -0.487 0.000 0.991 450 E CA 1.048 57.303 56.400 -0.242 0.000 0.810 450 E CB 0.016 29.441 29.700 -0.458 0.000 0.742 450 E HN 0.476 nan 8.360 nan 0.000 0.466 451 F N -0.359 119.689 119.950 0.163 0.000 2.923 451 F HA 0.181 4.708 4.527 0.000 0.000 0.314 451 F C 0.208 176.100 175.800 0.153 0.000 1.196 451 F CA -0.547 57.531 58.000 0.131 0.000 1.320 451 F CB 0.284 39.346 39.000 0.103 0.000 0.953 451 F HN -0.193 nan 8.300 nan 0.000 0.505 452 C N 0.532 119.989 119.300 0.261 0.000 2.391 452 C HA 0.380 4.840 4.460 0.000 0.000 0.339 452 C C 0.649 175.746 174.990 0.177 0.000 1.205 452 C CA -1.033 58.140 59.018 0.258 0.000 1.937 452 C CB 0.940 28.890 27.740 0.351 0.000 2.341 452 C HN 0.444 nan 8.230 nan 0.000 0.516 453 N N 1.638 120.427 118.700 0.149 0.000 2.415 453 N HA 0.167 4.907 4.740 0.000 0.000 0.250 453 N C -0.679 174.846 175.510 0.026 0.000 1.127 453 N CA 0.017 53.118 53.050 0.085 0.000 0.945 453 N CB 0.493 39.032 38.487 0.087 0.000 1.196 453 N HN 0.421 nan 8.380 nan 0.000 0.499 454 V N 4.320 124.219 119.914 -0.025 0.000 2.415 454 V HA 0.116 4.236 4.120 0.000 0.000 0.267 454 V C 0.398 176.403 176.094 -0.148 0.000 1.042 454 V CA -0.086 62.106 62.300 -0.180 0.000 1.000 454 V CB 0.262 31.985 31.823 -0.167 0.000 1.015 454 V HN 0.655 nan 8.190 nan 0.000 0.478 455 Q N 3.555 123.247 119.800 -0.179 0.000 2.325 455 Q HA 0.348 4.688 4.340 0.000 0.000 0.270 455 Q C -0.544 175.394 176.000 -0.103 0.000 1.020 455 Q CA -0.539 55.208 55.803 -0.094 0.000 0.785 455 Q CB 1.727 30.436 28.738 -0.048 0.000 1.259 455 Q HN 0.719 nan 8.270 nan 0.000 0.452 456 T N 2.626 117.148 114.554 -0.054 0.000 2.870 456 T HA 0.244 4.594 4.350 0.000 0.000 0.300 456 T C -0.440 174.276 174.700 0.025 0.000 0.989 456 T CA -0.104 61.982 62.100 -0.022 0.000 1.139 456 T CB 0.623 69.514 68.868 0.039 0.000 0.920 456 T HN 0.347 nan 8.240 nan 0.000 0.537 457 V N 4.937 124.863 119.914 0.021 0.000 2.407 457 V HA 0.413 4.534 4.120 0.000 0.000 0.291 457 V C -0.948 175.224 176.094 0.129 0.000 1.018 457 V CA -0.978 61.361 62.300 0.065 0.000 0.842 457 V CB 1.424 33.262 31.823 0.025 0.000 0.996 457 V HN 0.825 nan 8.190 nan 0.000 0.426 458 W N 5.979 127.264 121.300 -0.026 0.000 2.554 458 W HA 0.574 5.234 4.660 0.000 0.000 0.324 458 W C -0.677 175.832 176.519 -0.017 0.000 1.018 458 W CA -1.618 55.714 57.345 -0.022 0.000 1.243 458 W CB 1.816 31.263 29.460 -0.022 0.000 1.345 458 W HN 0.469 nan 8.180 nan 0.000 0.441 459 K N 5.259 125.901 120.400 0.404 0.000 2.130 459 K HA 0.258 4.578 4.320 0.000 0.000 0.268 459 K C 0.396 177.136 176.600 0.233 0.000 0.983 459 K CA -0.555 55.863 56.287 0.218 0.000 0.893 459 K CB 0.933 33.511 32.500 0.130 0.000 1.066 459 K HN 0.415 nan 8.250 nan 0.000 0.450 460 N N 1.722 120.474 118.700 0.087 0.000 2.740 460 N HA -0.206 4.534 4.740 0.000 0.000 0.248 460 N C -0.675 174.841 175.510 0.011 0.000 1.062 460 N CA 0.643 53.719 53.050 0.044 0.000 0.704 460 N CB -0.918 37.610 38.487 0.068 0.000 0.968 460 N HN 0.594 nan 8.380 nan 0.000 0.547 461 R N 1.031 121.425 120.500 -0.175 0.000 2.351 461 R HA 0.302 4.642 4.340 0.000 0.000 0.321 461 R C 0.279 176.439 176.300 -0.234 0.000 1.182 461 R CA -0.249 55.618 56.100 -0.389 0.000 1.011 461 R CB 0.187 29.803 30.300 -1.140 0.000 1.048 461 R HN 0.179 nan 8.270 nan 0.000 0.490 462 V N 0.000 119.850 119.914 -0.107 0.000 2.409 462 V HA 0.000 4.120 4.120 0.000 0.000 0.244 462 V CA 0.000 62.254 62.300 -0.076 0.000 1.235 462 V CB 0.000 31.796 31.823 -0.045 0.000 1.184 462 V HN 0.000 nan 8.190 nan 0.000 0.556