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 1adj_1_A DATA FIRST_RESID 2 DATA SEQUENCE TARAVRGTKD LFGKELRMHQ RIVATARKVL EAAGALELVT PIFEETQVFE DATA SEQUENCE KGVGAATDIV RKEMFTFQDR GGRSLTLRPE GTAAMVRAYL EHGMKVWPQP DATA SEQUENCE VRLWMAGPMF RAERPQKGRY RQFHQVNYEA LGSENPILDA EAVVLLYECL DATA SEQUENCE KELGLRRLKV KLSSVGDPED RARYNAYLRE VLSPHREALS EDSKERLEEN DATA SEQUENCE PMRILDSKSE RDQALLKELG VRPMLDFLGE EARAHLKEVE RHLERLSVPY DATA SEQUENCE ELEPALVRGL DYYVRTAFEV HHEEIGAQSA LGGGGRYDGL SELLGGPRVP DATA SEQUENCE GVGFAFGVER VALALEAEGF GLPEEKGPDL YLIPLTEEAV AEAFYLAEAL DATA SEQUENCE RPRLRAEYAL APRKPAKGLE EALKRGAAFA GFLGEDELRA GEVTLKRLAT DATA SEQUENCE GEQVRLSREE VPGYLLQALG 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.702 174.700 0.003 0.000 1.109 2 T CA 0.000 62.101 62.100 0.001 0.000 1.349 2 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 3 A N 2.923 125.744 122.820 0.001 0.000 2.520 3 A HA 0.563 4.883 4.320 0.001 0.000 0.235 3 A C 0.447 178.036 177.584 0.008 0.000 1.065 3 A CA 0.497 52.536 52.037 0.003 0.000 0.764 3 A CB 0.152 19.151 19.000 -0.002 0.000 1.002 3 A HN 0.356 nan 8.150 nan 0.000 0.502 4 R N -0.022 120.486 120.500 0.014 0.000 2.950 4 R HA 0.673 5.014 4.340 0.001 0.000 0.253 4 R C -0.283 176.034 176.300 0.028 0.000 1.168 4 R CA -0.363 55.751 56.100 0.023 0.000 1.014 4 R CB 1.675 31.990 30.300 0.026 0.000 1.228 4 R HN 0.863 nan 8.270 nan 0.000 0.487 5 A N 1.243 124.089 122.820 0.042 0.000 2.409 5 A HA 0.313 4.633 4.320 0.001 0.000 0.267 5 A C 0.639 178.254 177.584 0.052 0.000 1.127 5 A CA -0.533 51.536 52.037 0.052 0.000 0.795 5 A CB -0.025 19.022 19.000 0.078 0.000 1.061 5 A HN 0.522 nan 8.150 nan 0.000 0.502 6 V N 1.199 121.139 119.914 0.044 0.000 2.720 6 V HA 0.171 4.291 4.120 0.001 0.000 0.307 6 V C 0.727 176.863 176.094 0.070 0.000 1.071 6 V CA -0.434 61.893 62.300 0.046 0.000 1.199 6 V CB -0.364 31.475 31.823 0.028 0.000 0.900 6 V HN 0.946 nan 8.190 nan 0.000 0.494 7 R N 4.131 124.669 120.500 0.064 0.000 2.537 7 R HA 0.381 4.721 4.340 0.001 0.000 0.281 7 R C 1.355 177.712 176.300 0.094 0.000 0.988 7 R CA 1.455 57.593 56.100 0.062 0.000 1.077 7 R CB -0.305 30.024 30.300 0.049 0.000 0.932 7 R HN 1.986 nan 8.270 nan 0.000 0.409 8 G N 1.894 110.741 108.800 0.078 0.000 2.194 8 G HA2 -0.268 3.692 3.960 0.001 0.000 0.236 8 G HA3 -0.268 3.692 3.960 0.001 0.000 0.236 8 G C 0.019 175.072 174.900 0.256 0.000 0.987 8 G CA 0.364 45.540 45.100 0.126 0.000 0.635 8 G HN 1.033 nan 8.290 nan 0.000 0.520 9 T N -1.760 112.923 114.554 0.216 0.000 2.916 9 T HA 0.802 5.153 4.350 0.001 0.000 0.292 9 T C -0.676 174.152 174.700 0.214 0.000 1.064 9 T CA 0.221 62.474 62.100 0.255 0.000 1.011 9 T CB 2.800 71.783 68.868 0.192 0.000 1.152 9 T HN 1.270 nan 8.240 nan 0.000 0.510 10 K N 0.132 120.670 120.400 0.229 0.000 2.597 10 K HA 0.465 4.785 4.320 0.001 0.000 0.282 10 K C -1.938 174.768 176.600 0.177 0.000 0.975 10 K CA -1.019 55.380 56.287 0.187 0.000 0.867 10 K CB 1.195 33.809 32.500 0.190 0.000 1.465 10 K HN 0.433 nan 8.250 nan 0.000 0.417 11 D N 1.844 122.353 120.400 0.182 0.000 2.308 11 D HA 0.234 4.874 4.640 0.001 0.000 0.251 11 D C -0.391 176.037 176.300 0.213 0.000 1.127 11 D CA -0.051 54.080 54.000 0.219 0.000 0.876 11 D CB 1.054 42.021 40.800 0.279 0.000 1.176 11 D HN 0.334 nan 8.370 nan 0.000 0.446 12 L N 3.859 125.168 121.223 0.144 0.000 2.272 12 L HA 0.464 4.804 4.340 0.001 0.000 0.289 12 L C -0.358 176.597 176.870 0.140 0.000 1.032 12 L CA -0.679 54.157 54.840 -0.007 0.000 0.810 12 L CB 0.061 42.023 42.059 -0.161 0.000 1.205 12 L HN 0.352 nan 8.230 nan 0.000 0.422 13 F N 0.946 120.853 119.950 -0.071 0.000 2.817 13 F HA 0.857 5.385 4.527 0.001 0.000 0.317 13 F C 0.316 176.091 175.800 -0.041 0.000 1.168 13 F CA -0.351 57.621 58.000 -0.048 0.000 0.911 13 F CB 0.600 39.585 39.000 -0.026 0.000 1.337 13 F HN 0.647 nan 8.300 nan 0.000 0.464 14 G N 1.481 110.364 108.800 0.138 0.000 2.601 14 G HA2 -0.283 3.677 3.960 0.001 0.000 0.252 14 G HA3 -0.283 3.677 3.960 0.001 0.000 0.252 14 G C 0.455 175.321 174.900 -0.057 0.000 1.294 14 G CA 0.302 45.413 45.100 0.019 0.000 0.912 14 G HN 1.096 nan 8.290 nan 0.000 0.574 15 K N 0.132 120.493 120.400 -0.064 0.000 2.074 15 K HA -0.163 4.158 4.320 0.001 0.000 0.209 15 K C 2.450 179.014 176.600 -0.060 0.000 1.048 15 K CA 1.952 58.213 56.287 -0.043 0.000 0.926 15 K CB -0.189 32.294 32.500 -0.028 0.000 0.713 15 K HN 0.611 nan 8.250 nan 0.000 0.444 16 E N 1.060 121.182 120.200 -0.129 0.000 2.058 16 E HA -0.214 4.136 4.350 0.001 0.000 0.194 16 E C 2.027 178.509 176.600 -0.198 0.000 0.997 16 E CA 0.891 57.206 56.400 -0.142 0.000 0.801 16 E CB 0.002 29.568 29.700 -0.224 0.000 0.746 16 E HN 0.228 nan 8.360 nan 0.000 0.450 17 L N 0.599 121.691 121.223 -0.219 0.000 2.056 17 L HA -0.165 4.176 4.340 0.001 0.000 0.207 17 L C 2.487 179.322 176.870 -0.059 0.000 1.078 17 L CA 1.514 56.232 54.840 -0.202 0.000 0.749 17 L CB -0.304 41.697 42.059 -0.097 0.000 0.901 17 L HN 0.176 nan 8.230 nan 0.000 0.433 18 R N -0.957 119.532 120.500 -0.019 0.000 2.096 18 R HA -0.230 4.110 4.340 0.001 0.000 0.235 18 R C 2.095 178.426 176.300 0.051 0.000 1.127 18 R CA 1.708 57.821 56.100 0.022 0.000 0.968 18 R CB -0.307 30.004 30.300 0.019 0.000 0.861 18 R HN 0.266 nan 8.270 nan 0.000 0.440 19 M N -0.130 119.511 119.600 0.067 0.000 2.132 19 M HA -0.140 4.341 4.480 0.001 0.000 0.263 19 M C 1.684 178.072 176.300 0.146 0.000 1.065 19 M CA 1.775 57.133 55.300 0.096 0.000 1.122 19 M CB -0.293 32.373 32.600 0.109 0.000 1.365 19 M HN 0.203 nan 8.290 nan 0.000 0.411 20 H N -0.946 118.115 119.070 -0.015 0.000 2.352 20 H HA -0.174 4.383 4.556 0.001 0.000 0.299 20 H C 2.000 177.331 175.328 0.005 0.000 1.097 20 H CA 1.757 57.795 56.048 -0.016 0.000 1.311 20 H CB 0.012 29.728 29.762 -0.076 0.000 1.377 20 H HN 0.568 nan 8.280 nan 0.000 0.504 21 Q N 0.359 120.241 119.800 0.137 0.000 2.119 21 Q HA -0.095 4.246 4.340 0.001 0.000 0.201 21 Q C 2.422 178.465 176.000 0.071 0.000 0.972 21 Q CA 0.701 56.557 55.803 0.088 0.000 0.847 21 Q CB 0.032 28.807 28.738 0.063 0.000 0.903 21 Q HN 0.384 nan 8.270 nan 0.000 0.433 22 R N 0.394 120.928 120.500 0.058 0.000 2.073 22 R HA -0.097 4.243 4.340 0.001 0.000 0.234 22 R C 2.291 178.607 176.300 0.028 0.000 1.134 22 R CA 1.196 57.315 56.100 0.032 0.000 0.952 22 R CB -0.298 30.011 30.300 0.015 0.000 0.850 22 R HN 0.272 nan 8.270 nan 0.000 0.433 23 I N 0.235 120.830 120.570 0.041 0.000 2.163 23 I HA -0.285 3.885 4.170 0.001 0.000 0.243 23 I C 2.256 178.448 176.117 0.124 0.000 1.085 23 I CA 1.299 62.638 61.300 0.066 0.000 1.347 23 I CB -0.288 37.758 38.000 0.077 0.000 1.044 23 I HN -0.009 nan 8.210 nan 0.000 0.408 24 V N 0.955 120.940 119.914 0.118 0.000 2.427 24 V HA -0.250 3.871 4.120 0.001 0.000 0.248 24 V C 2.685 178.842 176.094 0.104 0.000 1.051 24 V CA 1.772 64.158 62.300 0.143 0.000 1.048 24 V CB -1.010 30.908 31.823 0.158 0.000 0.666 24 V HN 0.486 nan 8.190 nan 0.000 0.456 25 A N -0.012 122.853 122.820 0.075 0.000 1.877 25 A HA -0.232 4.089 4.320 0.001 0.000 0.216 25 A C 2.421 179.998 177.584 -0.012 0.000 1.186 25 A CA 2.599 54.662 52.037 0.042 0.000 0.620 25 A CB -0.977 18.046 19.000 0.037 0.000 0.822 25 A HN 0.491 nan 8.150 nan 0.000 0.443 26 T N 0.239 114.785 114.554 -0.014 0.000 2.737 26 T HA 0.005 4.355 4.350 0.001 0.000 0.265 26 T C 2.265 176.921 174.700 -0.072 0.000 1.038 26 T CA 1.608 63.681 62.100 -0.046 0.000 1.144 26 T CB -0.520 68.316 68.868 -0.053 0.000 0.866 26 T HN 0.604 nan 8.240 nan 0.000 0.434 27 A N 1.854 124.661 122.820 -0.023 0.000 1.908 27 A HA -0.186 4.134 4.320 0.001 0.000 0.218 27 A C 2.282 179.633 177.584 -0.388 0.000 1.181 27 A CA 2.093 54.101 52.037 -0.049 0.000 0.627 27 A CB -0.666 18.416 19.000 0.136 0.000 0.818 27 A HN 0.474 nan 8.150 nan 0.000 0.445 28 R N -0.120 120.086 120.500 -0.490 0.000 2.083 28 R HA -0.187 4.154 4.340 0.001 0.000 0.237 28 R C 2.280 178.322 176.300 -0.430 0.000 1.137 28 R CA 2.028 57.672 56.100 -0.761 0.000 0.951 28 R CB -0.306 29.854 30.300 -0.232 0.000 0.851 28 R HN 0.555 nan 8.270 nan 0.000 0.434 29 K N 0.397 120.664 120.400 -0.222 0.000 2.002 29 K HA -0.128 4.193 4.320 0.001 0.000 0.209 29 K C 2.099 178.609 176.600 -0.150 0.000 1.048 29 K CA 1.911 58.114 56.287 -0.139 0.000 0.930 29 K CB -0.171 32.278 32.500 -0.085 0.000 0.714 29 K HN 0.239 nan 8.250 nan 0.000 0.438 30 V N -0.420 119.401 119.914 -0.156 0.000 2.295 30 V HA -0.199 3.921 4.120 0.001 0.000 0.246 30 V C 2.135 178.135 176.094 -0.156 0.000 1.049 30 V CA 1.267 63.489 62.300 -0.129 0.000 1.024 30 V CB -0.648 31.113 31.823 -0.104 0.000 0.648 30 V HN 0.133 nan 8.190 nan 0.000 0.447 31 L N 0.848 121.922 121.223 -0.248 0.000 2.017 31 L HA -0.062 4.278 4.340 0.001 0.000 0.208 31 L C 2.798 179.559 176.870 -0.182 0.000 1.073 31 L CA 2.099 56.779 54.840 -0.268 0.000 0.745 31 L CB -1.273 40.507 42.059 -0.466 0.000 0.894 31 L HN 0.452 nan 8.230 nan 0.000 0.432 32 E N -0.920 119.135 120.200 -0.242 0.000 2.274 32 E HA -0.118 4.233 4.350 0.001 0.000 0.194 32 E C 2.141 178.734 176.600 -0.013 0.000 0.996 32 E CA 0.815 57.179 56.400 -0.061 0.000 0.840 32 E CB -0.098 29.588 29.700 -0.023 0.000 0.772 32 E HN 0.484 nan 8.360 nan 0.000 0.491 33 A N 1.319 124.112 122.820 -0.046 0.000 2.014 33 A HA 0.038 4.358 4.320 0.001 0.000 0.218 33 A C 2.241 179.823 177.584 -0.003 0.000 1.163 33 A CA 1.224 53.248 52.037 -0.023 0.000 0.652 33 A CB -0.157 18.820 19.000 -0.039 0.000 0.808 33 A HN 0.236 nan 8.150 nan 0.000 0.449 34 A N -1.758 121.060 122.820 -0.003 0.000 2.251 34 A HA 0.428 4.748 4.320 0.001 0.000 0.209 34 A C 1.637 179.273 177.584 0.088 0.000 1.187 34 A CA 1.108 53.162 52.037 0.029 0.000 0.823 34 A CB -0.825 18.176 19.000 0.002 0.000 0.846 34 A HN 1.790 nan 8.150 nan 0.000 0.486 35 G N -2.053 106.801 108.800 0.090 0.000 2.141 35 G HA2 0.116 4.076 3.960 0.001 0.000 0.231 35 G HA3 0.116 4.076 3.960 0.001 0.000 0.231 35 G C 0.375 175.387 174.900 0.188 0.000 0.984 35 G CA 0.141 45.313 45.100 0.121 0.000 0.660 35 G HN 1.553 nan 8.290 nan 0.000 0.525 36 A N -0.156 122.808 122.820 0.239 0.000 2.440 36 A HA 0.703 5.024 4.320 0.001 0.000 0.251 36 A C 0.218 178.050 177.584 0.413 0.000 1.089 36 A CA 0.322 52.581 52.037 0.370 0.000 0.779 36 A CB 0.823 20.110 19.000 0.479 0.000 1.022 36 A HN 1.589 nan 8.150 nan 0.000 0.492 37 L N 1.736 123.181 121.223 0.370 0.000 2.295 37 L HA 0.432 4.772 4.340 0.001 0.000 0.285 37 L C 0.350 177.324 176.870 0.173 0.000 1.035 37 L CA -0.289 54.713 54.840 0.271 0.000 0.806 37 L CB 1.338 43.507 42.059 0.182 0.000 1.214 37 L HN 0.794 nan 8.230 nan 0.000 0.426 38 E N 5.008 125.213 120.200 0.008 0.000 2.324 38 E HA 0.255 4.605 4.350 0.001 0.000 0.271 38 E C -1.507 174.908 176.600 -0.309 0.000 1.028 38 E CA -0.363 55.719 56.400 -0.530 0.000 0.890 38 E CB 0.742 30.133 29.700 -0.515 0.000 1.004 38 E HN 0.543 nan 8.360 nan 0.000 0.431 39 L N 6.334 127.350 121.223 -0.345 0.000 2.441 39 L HA 0.375 4.716 4.340 0.001 0.000 0.270 39 L C -1.661 175.079 176.870 -0.216 0.000 0.973 39 L CA -0.802 53.923 54.840 -0.192 0.000 0.842 39 L CB 1.656 43.661 42.059 -0.090 0.000 1.239 39 L HN 0.335 nan 8.230 nan 0.000 0.406 40 V N 4.145 123.953 119.914 -0.176 0.000 2.347 40 V HA 0.486 4.606 4.120 0.001 0.000 0.280 40 V C 0.720 176.759 176.094 -0.091 0.000 1.021 40 V CA -0.444 61.765 62.300 -0.151 0.000 0.847 40 V CB 1.641 33.376 31.823 -0.148 0.000 0.990 40 V HN 0.885 nan 8.190 nan 0.000 0.444 41 T N 3.767 118.278 114.554 -0.072 0.000 2.918 41 T HA 0.602 4.952 4.350 0.001 0.000 0.283 41 T C -2.327 172.342 174.700 -0.052 0.000 1.001 41 T CA -1.810 60.266 62.100 -0.040 0.000 1.041 41 T CB 1.234 70.094 68.868 -0.014 0.000 1.028 41 T HN 0.424 nan 8.240 nan 0.000 0.511 42 P HA 0.160 nan 4.420 nan 0.000 0.270 42 P C 0.976 178.196 177.300 -0.132 0.000 1.227 42 P CA -0.570 62.435 63.100 -0.159 0.000 0.788 42 P CB 0.305 31.876 31.700 -0.215 0.000 0.926 43 I N 0.104 120.532 120.570 -0.237 0.000 2.614 43 I HA -0.071 4.099 4.170 0.001 0.000 0.258 43 I C 0.886 177.063 176.117 0.099 0.000 1.189 43 I CA 1.429 62.706 61.300 -0.039 0.000 1.462 43 I CB -1.072 36.896 38.000 -0.054 0.000 1.092 43 I HN 0.286 nan 8.210 nan 0.000 0.442 44 F N -0.380 119.675 119.950 0.174 0.000 2.599 44 F HA 0.775 5.303 4.527 0.001 0.000 0.311 44 F C -0.327 175.556 175.800 0.138 0.000 1.076 44 F CA -1.393 56.725 58.000 0.197 0.000 0.937 44 F CB 1.054 40.156 39.000 0.170 0.000 1.282 44 F HN -0.242 nan 8.300 nan 0.000 0.460 45 E N 0.068 120.514 120.200 0.411 0.000 2.423 45 E HA 0.260 4.610 4.350 0.001 0.000 0.269 45 E C -1.250 175.358 176.600 0.013 0.000 0.948 45 E CA -1.021 55.437 56.400 0.097 0.000 0.802 45 E CB 2.118 31.655 29.700 -0.272 0.000 1.339 45 E HN 0.752 nan 8.360 nan 0.000 0.445 46 E N 0.664 120.810 120.200 -0.089 0.000 2.415 46 E HA -0.036 4.314 4.350 0.001 0.000 0.263 46 E C 0.819 177.334 176.600 -0.141 0.000 0.995 46 E CA 0.241 56.577 56.400 -0.106 0.000 0.915 46 E CB 0.637 30.272 29.700 -0.108 0.000 0.951 46 E HN 0.406 nan 8.360 nan 0.000 0.449 47 T N 3.030 117.529 114.554 -0.091 0.000 2.760 47 T HA -0.277 4.073 4.350 0.001 0.000 0.269 47 T C 1.804 176.481 174.700 -0.040 0.000 1.047 47 T CA 2.249 64.335 62.100 -0.023 0.000 1.139 47 T CB -0.049 68.796 68.868 -0.037 0.000 0.855 47 T HN 0.616 nan 8.240 nan 0.000 0.471 48 Q N 0.027 119.775 119.800 -0.087 0.000 2.124 48 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 48 Q C 2.177 178.097 176.000 -0.133 0.000 0.977 48 Q CA 1.689 57.443 55.803 -0.082 0.000 0.850 48 Q CB -0.691 28.001 28.738 -0.077 0.000 0.901 48 Q HN 0.431 nan 8.270 nan 0.000 0.429 49 V N 0.516 120.267 119.914 -0.272 0.000 2.380 49 V HA -0.241 3.879 4.120 0.001 0.000 0.251 49 V C 1.820 177.697 176.094 -0.361 0.000 1.063 49 V CA 1.863 63.924 62.300 -0.399 0.000 1.055 49 V CB -0.691 30.738 31.823 -0.656 0.000 0.657 49 V HN 0.330 nan 8.190 nan 0.000 0.455 50 F N -0.042 119.904 119.950 -0.006 0.000 2.387 50 F HA 0.104 4.631 4.527 0.001 0.000 0.294 50 F C 2.292 178.089 175.800 -0.004 0.000 1.093 50 F CA 0.331 58.333 58.000 0.002 0.000 1.420 50 F CB -0.638 38.367 39.000 0.009 0.000 1.086 50 F HN 0.162 nan 8.300 nan 0.000 0.531 51 E N 0.862 121.138 120.200 0.126 0.000 2.007 51 E HA -0.192 4.158 4.350 0.001 0.000 0.194 51 E C 2.052 178.678 176.600 0.043 0.000 0.999 51 E CA 1.436 57.877 56.400 0.068 0.000 0.811 51 E CB -0.171 29.547 29.700 0.030 0.000 0.762 51 E HN 0.352 nan 8.360 nan 0.000 0.450 52 K N 0.238 120.649 120.400 0.017 0.000 2.057 52 K HA -0.080 4.240 4.320 0.001 0.000 0.206 52 K C 2.247 178.868 176.600 0.035 0.000 1.050 52 K CA 1.099 57.393 56.287 0.011 0.000 0.935 52 K CB -0.323 32.168 32.500 -0.014 0.000 0.715 52 K HN 0.141 nan 8.250 nan 0.000 0.439 53 G N 1.206 110.032 108.800 0.043 0.000 2.484 53 G HA2 -0.220 3.740 3.960 0.001 0.000 0.215 53 G HA3 -0.220 3.740 3.960 0.001 0.000 0.215 53 G C 1.527 176.544 174.900 0.196 0.000 1.219 53 G CA 0.936 46.096 45.100 0.099 0.000 0.791 53 G HN 0.117 nan 8.290 nan 0.000 0.550 54 V N 1.092 121.103 119.914 0.162 0.000 2.913 54 V HA 0.309 4.429 4.120 0.001 0.000 0.260 54 V C 1.414 177.482 176.094 -0.043 0.000 1.098 54 V CA 0.718 63.035 62.300 0.028 0.000 1.121 54 V CB -1.509 30.335 31.823 0.035 0.000 0.714 54 V HN 1.138 nan 8.190 nan 0.000 0.487 55 G N -0.202 108.606 108.800 0.014 0.000 3.322 55 G HA2 0.137 4.097 3.960 0.001 0.000 0.686 55 G HA3 0.137 4.097 3.960 0.001 0.000 0.686 55 G C 0.321 175.221 174.900 -0.000 0.000 1.015 55 G CA -0.210 44.891 45.100 0.000 0.000 0.826 55 G HN 0.748 nan 8.290 nan 0.000 0.538 56 A N 1.289 124.112 122.820 0.006 0.000 2.259 56 A HA 0.378 4.698 4.320 0.001 0.000 0.212 56 A C 2.404 179.986 177.584 -0.003 0.000 1.178 56 A CA 2.278 54.318 52.037 0.004 0.000 0.734 56 A CB -0.135 18.867 19.000 0.005 0.000 0.774 56 A HN 2.374 nan 8.150 nan 0.000 0.481 57 A N -1.585 121.230 122.820 -0.007 0.000 2.303 57 A HA 0.332 4.652 4.320 0.001 0.000 0.217 57 A C 1.231 178.805 177.584 -0.016 0.000 1.205 57 A CA 0.800 52.831 52.037 -0.010 0.000 0.875 57 A CB -0.271 18.725 19.000 -0.007 0.000 0.910 57 A HN 0.342 nan 8.150 nan 0.000 0.501 58 T N -0.598 113.943 114.554 -0.023 0.000 2.904 58 T HA 0.251 4.601 4.350 0.001 0.000 0.290 58 T C 0.706 175.389 174.700 -0.027 0.000 1.018 58 T CA -0.013 62.069 62.100 -0.031 0.000 1.075 58 T CB 0.631 69.468 68.868 -0.052 0.000 0.986 58 T HN 0.289 nan 8.240 nan 0.000 0.523 59 D N 2.563 122.946 120.400 -0.028 0.000 2.123 59 D HA -0.087 4.553 4.640 0.001 0.000 0.196 59 D C 1.948 178.226 176.300 -0.037 0.000 0.992 59 D CA 1.329 55.311 54.000 -0.029 0.000 0.833 59 D CB -0.163 40.620 40.800 -0.028 0.000 0.954 59 D HN 0.584 nan 8.370 nan 0.000 0.455 60 I N 0.134 120.679 120.570 -0.041 0.000 2.091 60 I HA -0.286 3.885 4.170 0.001 0.000 0.239 60 I C 2.299 178.389 176.117 -0.045 0.000 1.061 60 I CA 0.917 62.188 61.300 -0.050 0.000 1.317 60 I CB -0.471 37.498 38.000 -0.052 0.000 1.031 60 I HN -0.038 nan 8.210 nan 0.000 0.401 61 V N 0.678 120.577 119.914 -0.025 0.000 2.295 61 V HA -0.260 3.860 4.120 0.001 0.000 0.246 61 V C 2.546 178.634 176.094 -0.011 0.000 1.049 61 V CA 1.868 64.166 62.300 -0.003 0.000 1.024 61 V CB -0.808 31.023 31.823 0.015 0.000 0.648 61 V HN 0.357 nan 8.190 nan 0.000 0.447 62 R N 0.759 121.249 120.500 -0.017 0.000 2.115 62 R HA -0.109 4.231 4.340 0.001 0.000 0.230 62 R C 1.665 177.951 176.300 -0.024 0.000 1.111 62 R CA 1.605 57.695 56.100 -0.017 0.000 0.976 62 R CB -0.069 30.222 30.300 -0.016 0.000 0.870 62 R HN 0.690 nan 8.270 nan 0.000 0.445 63 K N -1.543 118.834 120.400 -0.037 0.000 2.637 63 K HA 0.161 4.481 4.320 0.001 0.000 0.184 63 K C -0.122 176.429 176.600 -0.082 0.000 1.200 63 K CA -0.098 56.161 56.287 -0.048 0.000 1.122 63 K CB 0.693 33.171 32.500 -0.036 0.000 0.926 63 K HN -0.070 nan 8.250 nan 0.000 0.535 64 E N 1.348 121.487 120.200 -0.101 0.000 2.758 64 E HA 0.299 4.649 4.350 0.001 0.000 0.215 64 E C -0.634 175.829 176.600 -0.229 0.000 0.985 64 E CA -0.184 56.120 56.400 -0.160 0.000 1.102 64 E CB 0.700 30.335 29.700 -0.107 0.000 1.042 64 E HN 0.264 nan 8.360 nan 0.000 0.480 65 M N 0.799 120.287 119.600 -0.187 0.000 2.364 65 M HA 0.360 4.840 4.480 0.001 0.000 0.334 65 M C -0.750 175.472 176.300 -0.130 0.000 1.107 65 M CA -0.816 54.392 55.300 -0.153 0.000 0.988 65 M CB 1.307 33.876 32.600 -0.053 0.000 1.673 65 M HN -0.076 nan 8.290 nan 0.000 0.441 66 F N 1.559 121.557 119.950 0.079 0.000 2.509 66 F HA 0.220 4.748 4.527 0.001 0.000 0.350 66 F C 0.962 176.834 175.800 0.119 0.000 1.220 66 F CA -0.063 58.002 58.000 0.108 0.000 1.151 66 F CB 0.123 39.190 39.000 0.112 0.000 1.379 66 F HN 0.366 nan 8.300 nan 0.000 0.610 67 T N 4.976 119.667 114.554 0.229 0.000 2.855 67 T HA 0.763 5.113 4.350 0.001 0.000 0.281 67 T C -0.681 174.088 174.700 0.114 0.000 1.007 67 T CA -0.364 61.767 62.100 0.052 0.000 1.009 67 T CB 0.590 69.455 68.868 -0.005 0.000 0.983 67 T HN 0.311 nan 8.240 nan 0.000 0.455 68 F N 0.784 120.734 119.950 0.000 0.000 2.715 68 F HA 0.683 5.210 4.527 0.001 0.000 0.318 68 F C -0.977 174.785 175.800 -0.064 0.000 1.141 68 F CA -1.369 56.611 58.000 -0.034 0.000 0.950 68 F CB 1.252 40.213 39.000 -0.064 0.000 1.374 68 F HN 0.413 nan 8.300 nan 0.000 0.477 69 Q N 1.346 121.250 119.800 0.172 0.000 2.293 69 Q HA 0.211 4.552 4.340 0.001 0.000 0.261 69 Q C -1.090 174.981 176.000 0.119 0.000 0.960 69 Q CA -1.047 54.785 55.803 0.049 0.000 0.882 69 Q CB 1.828 30.582 28.738 0.027 0.000 1.275 69 Q HN 0.609 nan 8.270 nan 0.000 0.445 70 D N 1.881 122.289 120.400 0.015 0.000 2.506 70 D HA -0.134 4.506 4.640 0.001 0.000 0.234 70 D C -0.086 176.229 176.300 0.025 0.000 1.143 70 D CA 0.420 54.431 54.000 0.017 0.000 0.871 70 D CB 0.708 41.487 40.800 -0.034 0.000 1.190 70 D HN 0.436 nan 8.370 nan 0.000 0.459 71 R N 2.236 122.749 120.500 0.020 0.000 3.572 71 R HA 0.212 4.553 4.340 0.001 0.000 0.186 71 R C 0.355 176.658 176.300 0.005 0.000 1.727 71 R CA 0.595 56.700 56.100 0.009 0.000 1.267 71 R CB -1.019 29.282 30.300 0.001 0.000 1.318 71 R HN 0.562 nan 8.270 nan 0.000 0.718 72 G N 0.506 109.307 108.800 0.003 0.000 2.334 72 G HA2 0.082 4.042 3.960 0.001 0.000 0.222 72 G HA3 0.082 4.042 3.960 0.001 0.000 0.222 72 G C 0.298 175.195 174.900 -0.006 0.000 1.077 72 G CA -0.491 44.609 45.100 -0.001 0.000 0.861 72 G HN 0.963 nan 8.290 nan 0.000 0.508 73 G N 0.132 108.927 108.800 -0.008 0.000 3.146 73 G HA2 -0.002 3.958 3.960 0.001 0.000 0.242 73 G HA3 -0.002 3.958 3.960 0.001 0.000 0.242 73 G C 0.444 175.326 174.900 -0.029 0.000 1.853 73 G CA 0.420 45.511 45.100 -0.016 0.000 1.465 73 G HN 1.142 nan 8.290 nan 0.000 0.537 74 R N 1.252 121.729 120.500 -0.037 0.000 2.457 74 R HA 0.305 4.646 4.340 0.001 0.000 0.274 74 R C 0.554 176.796 176.300 -0.096 0.000 0.935 74 R CA 1.067 57.131 56.100 -0.059 0.000 1.115 74 R CB 0.094 30.360 30.300 -0.057 0.000 0.860 74 R HN 0.524 nan 8.270 nan 0.000 0.426 75 S N 2.771 118.404 115.700 -0.112 0.000 2.452 75 S HA 0.462 4.933 4.470 0.001 0.000 0.284 75 S C -0.956 173.499 174.600 -0.243 0.000 1.171 75 S CA -0.677 57.425 58.200 -0.163 0.000 1.064 75 S CB 0.191 63.327 63.200 -0.107 0.000 0.967 75 S HN 0.233 nan 8.310 nan 0.000 0.484 76 L N 4.127 125.066 121.223 -0.473 0.000 2.334 76 L HA 0.648 4.988 4.340 0.001 0.000 0.273 76 L C 0.260 176.710 176.870 -0.699 0.000 1.013 76 L CA -0.133 54.349 54.840 -0.596 0.000 0.816 76 L CB 1.877 43.395 42.059 -0.900 0.000 1.278 76 L HN 0.562 nan 8.230 nan 0.000 0.431 77 T N 2.582 117.001 114.554 -0.226 0.000 2.916 77 T HA 0.470 4.821 4.350 0.001 0.000 0.298 77 T C -0.656 174.216 174.700 0.287 0.000 1.031 77 T CA -0.561 61.547 62.100 0.014 0.000 0.993 77 T CB 1.537 70.534 68.868 0.215 0.000 1.045 77 T HN 0.110 nan 8.240 nan 0.000 0.454 78 L N 3.844 125.239 121.223 0.288 0.000 2.500 78 L HA 0.214 4.554 4.340 0.001 0.000 0.272 78 L C 1.265 178.293 176.870 0.263 0.000 1.149 78 L CA 0.114 55.157 54.840 0.337 0.000 0.897 78 L CB -0.074 42.117 42.059 0.220 0.000 1.178 78 L HN 0.522 nan 8.230 nan 0.000 0.473 79 R N 7.999 128.666 120.500 0.278 0.000 2.501 79 R HA -0.059 4.282 4.340 0.001 0.000 0.319 79 R C -1.903 174.275 176.300 -0.203 0.000 0.913 79 R CA -0.338 55.693 56.100 -0.115 0.000 1.104 79 R CB 0.394 30.800 30.300 0.177 0.000 0.901 79 R HN 0.435 nan 8.270 nan 0.000 0.407 80 P HA 0.080 nan 4.420 nan 0.000 0.252 80 P C -0.316 176.871 177.300 -0.190 0.000 1.218 80 P CA 0.572 63.512 63.100 -0.267 0.000 0.807 80 P CB 0.537 32.066 31.700 -0.285 0.000 1.072 81 E N -0.914 119.144 120.200 -0.236 0.000 2.401 81 E HA 0.307 4.658 4.350 0.001 0.000 0.280 81 E C -0.368 176.218 176.600 -0.023 0.000 1.039 81 E CA -0.454 55.901 56.400 -0.076 0.000 0.814 81 E CB 0.771 30.471 29.700 -0.000 0.000 1.275 81 E HN -0.117 nan 8.360 nan 0.000 0.448 82 G N 0.728 109.520 108.800 -0.013 0.000 2.595 82 G HA2 -0.056 3.904 3.960 0.001 0.000 0.213 82 G HA3 -0.056 3.904 3.960 0.001 0.000 0.213 82 G C 1.029 175.904 174.900 -0.041 0.000 1.141 82 G CA 1.142 46.234 45.100 -0.013 0.000 0.806 82 G HN 0.550 nan 8.290 nan 0.000 0.530 83 T N 2.239 116.727 114.554 -0.109 0.000 2.635 83 T HA -0.179 4.172 4.350 0.001 0.000 0.267 83 T C 2.805 177.310 174.700 -0.325 0.000 1.040 83 T CA 1.856 63.758 62.100 -0.330 0.000 1.156 83 T CB -0.536 67.935 68.868 -0.660 0.000 0.863 83 T HN 0.344 nan 8.240 nan 0.000 0.430 84 A N 1.628 124.335 122.820 -0.188 0.000 1.908 84 A HA 0.058 4.378 4.320 0.001 0.000 0.218 84 A C 2.701 180.219 177.584 -0.110 0.000 1.181 84 A CA 2.158 54.112 52.037 -0.138 0.000 0.627 84 A CB -1.261 17.762 19.000 0.038 0.000 0.818 84 A HN 0.564 nan 8.150 nan 0.000 0.445 85 A N -0.875 121.938 122.820 -0.013 0.000 1.902 85 A HA -0.135 4.185 4.320 0.001 0.000 0.217 85 A C 2.209 179.765 177.584 -0.046 0.000 1.181 85 A CA 1.981 54.002 52.037 -0.026 0.000 0.623 85 A CB -0.498 18.548 19.000 0.077 0.000 0.818 85 A HN 0.457 nan 8.150 nan 0.000 0.443 86 M N -0.362 119.201 119.600 -0.061 0.000 2.086 86 M HA -0.119 4.362 4.480 0.001 0.000 0.261 86 M C 2.209 178.490 176.300 -0.032 0.000 1.067 86 M CA 1.381 56.650 55.300 -0.051 0.000 1.116 86 M CB -1.301 31.248 32.600 -0.084 0.000 1.348 86 M HN 0.258 nan 8.290 nan 0.000 0.407 87 V N -0.007 119.851 119.914 -0.093 0.000 2.427 87 V HA -0.210 3.911 4.120 0.001 0.000 0.248 87 V C 2.647 178.725 176.094 -0.025 0.000 1.051 87 V CA 1.430 63.683 62.300 -0.078 0.000 1.048 87 V CB -0.877 30.855 31.823 -0.151 0.000 0.666 87 V HN 0.435 nan 8.190 nan 0.000 0.456 88 R N 0.725 121.185 120.500 -0.066 0.000 2.081 88 R HA -0.129 4.212 4.340 0.001 0.000 0.235 88 R C 2.265 178.528 176.300 -0.061 0.000 1.131 88 R CA 1.900 57.952 56.100 -0.080 0.000 0.960 88 R CB -0.598 29.629 30.300 -0.122 0.000 0.856 88 R HN 0.477 nan 8.270 nan 0.000 0.436 89 A N -0.032 122.778 122.820 -0.016 0.000 1.877 89 A HA -0.212 4.109 4.320 0.001 0.000 0.216 89 A C 2.123 179.739 177.584 0.053 0.000 1.186 89 A CA 1.326 53.390 52.037 0.046 0.000 0.620 89 A CB -0.958 18.108 19.000 0.110 0.000 0.822 89 A HN 0.527 nan 8.150 nan 0.000 0.443 90 Y N 0.113 120.355 120.300 -0.097 0.000 2.081 90 Y HA -0.240 4.310 4.550 0.000 0.000 0.280 90 Y C 1.996 177.780 175.900 -0.193 0.000 1.163 90 Y CA 1.977 59.973 58.100 -0.173 0.000 1.135 90 Y CB -0.358 38.012 38.460 -0.149 0.000 0.970 90 Y HN 0.214 nan 8.280 nan 0.000 0.498 91 L N 0.814 122.093 121.223 0.094 0.000 1.970 91 L HA -0.231 4.109 4.340 0.001 0.000 0.212 91 L C 2.580 179.359 176.870 -0.151 0.000 1.071 91 L CA 2.353 57.188 54.840 -0.007 0.000 0.751 91 L CB -1.481 40.575 42.059 -0.005 0.000 0.889 91 L HN 0.413 nan 8.230 nan 0.000 0.432 92 E N -1.195 118.881 120.200 -0.206 0.000 2.097 92 E HA -0.255 4.096 4.350 0.001 0.000 0.196 92 E C 1.590 177.938 176.600 -0.419 0.000 1.000 92 E CA 1.368 57.569 56.400 -0.331 0.000 0.804 92 E CB -0.044 29.390 29.700 -0.443 0.000 0.740 92 E HN 0.586 nan 8.360 nan 0.000 0.454 93 H N -1.019 117.935 119.070 -0.192 0.000 2.533 93 H HA 0.145 4.702 4.556 0.001 0.000 0.271 93 H C 0.976 176.113 175.328 -0.318 0.000 1.000 93 H CA 0.718 56.639 56.048 -0.212 0.000 1.149 93 H CB 0.394 30.030 29.762 -0.211 0.000 1.375 93 H HN 0.389 nan 8.280 nan 0.000 0.582 94 G N 1.805 110.433 108.800 -0.287 0.000 2.341 94 G HA2 -0.342 3.619 3.960 0.001 0.000 0.292 94 G HA3 -0.342 3.619 3.960 0.001 0.000 0.292 94 G C 1.153 175.681 174.900 -0.620 0.000 1.021 94 G CA 0.612 45.517 45.100 -0.325 0.000 0.905 94 G HN 0.408 nan 8.290 nan 0.000 0.508 95 M N -0.370 118.566 119.600 -1.106 0.000 2.539 95 M HA -0.055 4.425 4.480 0.001 0.000 0.261 95 M C 2.607 178.220 176.300 -1.146 0.000 1.069 95 M CA 1.896 56.111 55.300 -1.808 0.000 1.081 95 M CB -0.343 31.021 32.600 -2.061 0.000 1.412 95 M HN 0.629 nan 8.290 nan 0.000 0.482 96 K N 0.989 120.909 120.400 -0.800 0.000 2.281 96 K HA -0.090 4.230 4.320 0.001 0.000 0.203 96 K C 1.268 177.814 176.600 -0.090 0.000 1.046 96 K CA 1.629 57.772 56.287 -0.241 0.000 0.938 96 K CB -0.619 31.846 32.500 -0.059 0.000 0.737 96 K HN 0.449 nan 8.250 nan 0.000 0.458 97 V N -3.120 116.729 119.914 -0.107 0.000 3.596 97 V HA 0.220 4.340 4.120 0.001 0.000 0.289 97 V C 0.027 176.260 176.094 0.233 0.000 1.336 97 V CA -0.974 61.362 62.300 0.060 0.000 1.137 97 V CB -0.932 30.930 31.823 0.064 0.000 0.966 97 V HN 0.184 nan 8.190 nan 0.000 0.428 98 W N 1.674 122.944 121.300 -0.050 0.000 2.332 98 W HA 0.573 5.234 4.660 0.001 0.000 0.351 98 W C -2.219 174.304 176.519 0.006 0.000 1.195 98 W CA -2.953 54.376 57.345 -0.028 0.000 1.334 98 W CB -0.171 29.263 29.460 -0.044 0.000 1.206 98 W HN -0.013 nan 8.180 nan 0.000 0.637 99 P HA -0.019 nan 4.420 nan 0.000 0.267 99 P C -0.389 177.021 177.300 0.182 0.000 1.209 99 P CA 0.248 63.441 63.100 0.155 0.000 0.763 99 P CB 0.851 32.607 31.700 0.094 0.000 0.816 100 Q N 3.669 123.560 119.800 0.151 0.000 2.260 100 Q HA 0.407 4.748 4.340 0.001 0.000 0.242 100 Q C -1.615 174.455 176.000 0.116 0.000 0.932 100 Q CA -1.547 54.345 55.803 0.149 0.000 0.891 100 Q CB -0.017 28.798 28.738 0.128 0.000 1.222 100 Q HN 0.482 nan 8.270 nan 0.000 0.453 101 P HA 0.274 nan 4.420 nan 0.000 0.281 101 P C -0.781 176.624 177.300 0.175 0.000 1.249 101 P CA -0.524 62.653 63.100 0.128 0.000 0.810 101 P CB 0.945 32.699 31.700 0.090 0.000 1.008 102 V N 3.589 123.636 119.914 0.221 0.000 2.385 102 V HA 0.246 4.366 4.120 0.001 0.000 0.269 102 V C 0.902 177.110 176.094 0.189 0.000 1.043 102 V CA -0.384 62.083 62.300 0.279 0.000 0.906 102 V CB 0.055 32.111 31.823 0.388 0.000 0.995 102 V HN 0.472 nan 8.190 nan 0.000 0.467 103 R N 5.585 126.199 120.500 0.190 0.000 2.294 103 R HA 0.730 5.071 4.340 0.001 0.000 0.319 103 R C -1.061 175.343 176.300 0.173 0.000 0.984 103 R CA -0.429 55.751 56.100 0.134 0.000 0.861 103 R CB 1.225 31.683 30.300 0.262 0.000 1.104 103 R HN 0.587 nan 8.270 nan 0.000 0.451 104 L N 3.507 124.771 121.223 0.069 0.000 2.370 104 L HA 0.663 5.004 4.340 0.001 0.000 0.266 104 L C -0.703 176.276 176.870 0.181 0.000 1.002 104 L CA -0.933 53.982 54.840 0.125 0.000 0.818 104 L CB 1.752 43.843 42.059 0.053 0.000 1.325 104 L HN 0.664 nan 8.230 nan 0.000 0.418 105 W N 3.634 124.957 121.300 0.037 0.000 3.167 105 W HA 0.786 5.447 4.660 0.001 0.000 0.324 105 W C -1.702 174.819 176.519 0.003 0.000 1.230 105 W CA -1.077 56.288 57.345 0.032 0.000 1.184 105 W CB 1.809 31.342 29.460 0.121 0.000 1.414 105 W HN 0.644 nan 8.180 nan 0.000 0.551 106 M N 2.432 121.925 119.600 -0.177 0.000 2.732 106 M HA 0.822 5.303 4.480 0.001 0.000 0.272 106 M C -2.138 174.082 176.300 -0.133 0.000 1.203 106 M CA -0.579 54.414 55.300 -0.512 0.000 0.841 106 M CB 2.063 34.460 32.600 -0.338 0.000 1.685 106 M HN 0.731 nan 8.290 nan 0.000 0.492 107 A N 0.942 123.665 122.820 -0.162 0.000 2.381 107 A HA 0.993 5.314 4.320 0.001 0.000 0.299 107 A C -0.504 177.049 177.584 -0.052 0.000 1.049 107 A CA 0.064 52.092 52.037 -0.016 0.000 0.715 107 A CB 1.384 20.465 19.000 0.134 0.000 1.222 107 A HN 1.635 nan 8.150 nan 0.000 0.428 108 G N 1.481 110.248 108.800 -0.056 0.000 2.495 108 G HA2 0.741 4.702 3.960 0.001 0.000 0.294 108 G HA3 0.741 4.702 3.960 0.001 0.000 0.294 108 G C -3.498 171.312 174.900 -0.151 0.000 1.397 108 G CA -0.831 44.244 45.100 -0.041 0.000 0.790 108 G HN 0.526 nan 8.290 nan 0.000 0.486 109 P HA 0.426 nan 4.420 nan 0.000 0.275 109 P C -0.855 175.767 177.300 -1.130 0.000 1.227 109 P CA -0.114 62.484 63.100 -0.837 0.000 0.781 109 P CB 1.324 32.660 31.700 -0.607 0.000 0.906 110 M N 2.493 121.144 119.600 -1.581 0.000 2.530 110 M HA 0.475 4.955 4.480 0.001 0.000 0.307 110 M C -0.708 174.612 176.300 -1.634 0.000 1.161 110 M CA -0.566 53.832 55.300 -1.503 0.000 0.903 110 M CB 1.495 33.226 32.600 -1.448 0.000 1.711 110 M HN 0.216 nan 8.290 nan 0.000 0.451 111 F N 0.980 120.778 119.950 -0.254 0.000 2.507 111 F HA 0.697 5.224 4.527 0.001 0.000 0.325 111 F C -0.081 175.816 175.800 0.162 0.000 1.116 111 F CA -0.798 57.252 58.000 0.084 0.000 0.930 111 F CB 1.667 40.825 39.000 0.264 0.000 1.146 111 F HN 0.424 nan 8.300 nan 0.000 0.447 112 R N 1.492 122.220 120.500 0.381 0.000 2.502 112 R HA 0.662 5.003 4.340 0.001 0.000 0.298 112 R C -0.920 175.273 176.300 -0.179 0.000 1.018 112 R CA -0.678 55.470 56.100 0.081 0.000 0.899 112 R CB 1.884 32.290 30.300 0.176 0.000 1.181 112 R HN 0.790 nan 8.270 nan 0.000 0.444 113 A N 3.762 126.136 122.820 -0.742 0.000 2.655 113 A HA 0.151 4.472 4.320 0.001 0.000 0.297 113 A C -0.362 177.067 177.584 -0.259 0.000 1.461 113 A CA 0.214 51.744 52.037 -0.845 0.000 1.146 113 A CB -0.171 18.213 19.000 -1.027 0.000 1.108 113 A HN 0.701 nan 8.150 nan 0.000 0.550 114 E N 1.139 121.294 120.200 -0.074 0.000 2.202 114 E HA 0.286 4.636 4.350 0.001 0.000 0.272 114 E C -0.055 176.553 176.600 0.013 0.000 0.951 114 E CA -1.021 55.367 56.400 -0.020 0.000 0.813 114 E CB 1.613 31.320 29.700 0.011 0.000 1.151 114 E HN 0.681 nan 8.360 nan 0.000 0.398 115 R N 3.624 124.126 120.500 0.003 0.000 2.488 115 R HA 0.013 4.354 4.340 0.001 0.000 0.317 115 R C -1.916 174.399 176.300 0.025 0.000 0.941 115 R CA -0.830 55.279 56.100 0.014 0.000 1.076 115 R CB 0.159 30.462 30.300 0.005 0.000 0.917 115 R HN 0.230 nan 8.270 nan 0.000 0.407 116 P HA -0.067 nan 4.420 nan 0.000 0.262 116 P C -1.332 175.981 177.300 0.022 0.000 1.199 116 P CA 0.391 63.514 63.100 0.039 0.000 0.763 116 P CB 0.530 32.259 31.700 0.048 0.000 0.790 117 Q N 2.068 121.876 119.800 0.014 0.000 3.757 117 Q HA 0.091 4.432 4.340 0.001 0.000 0.107 117 Q C -0.069 175.927 176.000 -0.006 0.000 0.637 117 Q CA -0.714 55.092 55.803 0.005 0.000 0.960 117 Q CB -0.724 28.016 28.738 0.004 0.000 1.491 117 Q HN 0.268 nan 8.270 nan 0.000 0.403 118 K N -0.045 120.348 120.400 -0.011 0.000 11.112 118 K HA -0.322 3.998 4.320 0.001 0.000 0.520 118 K C 1.032 177.605 176.600 -0.045 0.000 0.409 118 K CA 1.985 58.249 56.287 -0.037 0.000 1.888 118 K CB -2.018 30.458 32.500 -0.041 0.000 0.791 118 K HN 1.205 nan 8.250 nan 0.000 1.246 119 G N 1.931 110.709 108.800 -0.036 0.000 2.225 119 G HA2 -0.416 3.545 3.960 0.001 0.000 0.272 119 G HA3 -0.416 3.545 3.960 0.001 0.000 0.272 119 G C 0.426 175.296 174.900 -0.049 0.000 0.996 119 G CA 1.974 47.056 45.100 -0.030 0.000 0.710 119 G HN 0.460 nan 8.290 nan 0.000 0.522 120 R N -3.165 117.264 120.500 -0.117 0.000 2.716 120 R HA -0.196 4.144 4.340 0.001 0.000 0.080 120 R C -0.014 176.052 176.300 -0.391 0.000 0.891 120 R CA 1.772 57.737 56.100 -0.224 0.000 1.590 120 R CB -1.375 28.898 30.300 -0.046 0.000 0.586 120 R HN 0.833 nan 8.270 nan 0.000 0.680 121 Y N 0.246 120.576 120.300 0.051 0.000 2.457 121 Y HA 0.497 5.047 4.550 0.001 0.000 0.343 121 Y C 1.133 177.157 175.900 0.206 0.000 0.994 121 Y CA -0.640 57.541 58.100 0.135 0.000 1.031 121 Y CB 1.952 40.520 38.460 0.179 0.000 1.246 121 Y HN 0.211 nan 8.280 nan 0.000 0.449 122 R N 0.392 121.153 120.500 0.435 0.000 2.237 122 R HA 0.123 4.463 4.340 0.001 0.000 0.195 122 R C -0.139 176.484 176.300 0.538 0.000 0.956 122 R CA 0.354 56.736 56.100 0.470 0.000 1.029 122 R CB 0.675 31.258 30.300 0.472 0.000 0.972 122 R HN 0.592 nan 8.270 nan 0.000 0.493 123 Q N 0.782 120.849 119.800 0.446 0.000 2.303 123 Q HA 0.267 4.607 4.340 0.001 0.000 0.267 123 Q C -1.507 174.528 176.000 0.059 0.000 1.011 123 Q CA -0.708 55.201 55.803 0.177 0.000 0.740 123 Q CB 0.996 29.877 28.738 0.238 0.000 1.250 123 Q HN 0.015 nan 8.270 nan 0.000 0.458 124 F N -0.119 119.630 119.950 -0.335 0.000 2.679 124 F HA 0.718 5.246 4.527 0.000 0.000 0.341 124 F C -1.238 174.182 175.800 -0.633 0.000 1.095 124 F CA -1.148 56.603 58.000 -0.414 0.000 1.004 124 F CB 1.011 39.831 39.000 -0.300 0.000 1.388 124 F HN 0.409 nan 8.300 nan 0.000 0.505 125 H N -0.364 118.616 119.070 -0.149 0.000 2.600 125 H HA 0.548 5.104 4.556 0.001 0.000 0.357 125 H C -1.173 174.085 175.328 -0.117 0.000 1.106 125 H CA -0.783 55.136 56.048 -0.215 0.000 1.193 125 H CB 1.898 31.595 29.762 -0.108 0.000 1.594 125 H HN 0.698 nan 8.280 nan 0.000 0.526 126 Q N 0.961 120.708 119.800 -0.089 0.000 2.421 126 Q HA 0.673 5.013 4.340 0.001 0.000 0.280 126 Q C -1.709 174.155 176.000 -0.227 0.000 1.085 126 Q CA -1.202 54.527 55.803 -0.123 0.000 0.807 126 Q CB 2.203 30.933 28.738 -0.013 0.000 1.405 126 Q HN 0.358 nan 8.270 nan 0.000 0.419 127 V N 2.241 121.854 119.914 -0.501 0.000 2.439 127 V HA 0.363 4.484 4.120 0.001 0.000 0.282 127 V C -0.656 175.273 176.094 -0.275 0.000 1.039 127 V CA -0.471 61.577 62.300 -0.420 0.000 0.913 127 V CB 1.124 32.448 31.823 -0.832 0.000 0.983 127 V HN 0.870 nan 8.190 nan 0.000 0.460 128 N N 3.022 121.668 118.700 -0.090 0.000 2.354 128 N HA 0.487 5.228 4.740 0.001 0.000 0.287 128 N C -1.542 173.930 175.510 -0.064 0.000 1.016 128 N CA -0.556 52.429 53.050 -0.108 0.000 0.871 128 N CB 1.447 39.885 38.487 -0.080 0.000 1.299 128 N HN 0.628 nan 8.380 nan 0.000 0.482 129 Y N 2.070 122.094 120.300 -0.461 0.000 2.429 129 Y HA 0.669 5.219 4.550 0.000 0.000 0.342 129 Y C -1.131 174.674 175.900 -0.159 0.000 1.004 129 Y CA -0.659 57.221 58.100 -0.366 0.000 1.075 129 Y CB 1.682 39.649 38.460 -0.823 0.000 1.214 129 Y HN 0.490 nan 8.280 nan 0.000 0.455 130 E N 2.906 122.573 120.200 -0.888 0.000 2.304 130 E HA 0.727 5.077 4.350 0.001 0.000 0.277 130 E C -1.786 174.417 176.600 -0.662 0.000 0.898 130 E CA -0.569 55.499 56.400 -0.553 0.000 0.764 130 E CB 1.961 31.542 29.700 -0.199 0.000 1.216 130 E HN 0.733 nan 8.360 nan 0.000 0.419 131 A N 4.302 126.897 122.820 -0.374 0.000 2.310 131 A HA 0.714 5.035 4.320 0.001 0.000 0.304 131 A C -1.236 176.282 177.584 -0.111 0.000 1.231 131 A CA -0.499 51.436 52.037 -0.169 0.000 0.799 131 A CB 0.159 19.155 19.000 -0.007 0.000 1.162 131 A HN 0.494 nan 8.150 nan 0.000 0.486 132 L N 1.431 122.599 121.223 -0.093 0.000 2.333 132 L HA 0.792 5.133 4.340 0.001 0.000 0.269 132 L C 1.187 177.986 176.870 -0.118 0.000 1.010 132 L CA 0.011 54.728 54.840 -0.205 0.000 0.818 132 L CB 2.004 43.794 42.059 -0.448 0.000 1.306 132 L HN 1.162 nan 8.230 nan 0.000 0.430 133 G N 0.823 109.518 108.800 -0.175 0.000 2.144 133 G HA2 -0.204 3.756 3.960 0.001 0.000 0.218 133 G HA3 -0.204 3.756 3.960 0.001 0.000 0.218 133 G C -0.062 174.832 174.900 -0.009 0.000 0.988 133 G CA 0.150 45.225 45.100 -0.041 0.000 0.659 133 G HN 0.706 nan 8.290 nan 0.000 0.522 134 S N -1.226 114.454 115.700 -0.034 0.000 2.535 134 S HA 0.562 5.033 4.470 0.001 0.000 0.272 134 S C 0.322 174.922 174.600 0.001 0.000 1.149 134 S CA 0.547 58.748 58.200 0.001 0.000 0.888 134 S CB 1.820 65.037 63.200 0.030 0.000 1.110 134 S HN 0.412 nan 8.310 nan 0.000 0.463 135 E N 2.837 123.054 120.200 0.029 0.000 2.442 135 E HA 0.159 4.509 4.350 0.001 0.000 0.195 135 E C 0.467 177.177 176.600 0.183 0.000 1.030 135 E CA 0.229 56.670 56.400 0.068 0.000 0.869 135 E CB 0.061 29.790 29.700 0.049 0.000 0.857 135 E HN 0.579 nan 8.360 nan 0.000 0.505 136 N N 1.920 120.689 118.700 0.115 0.000 2.365 136 N HA -0.070 4.671 4.740 0.001 0.000 0.265 136 N C -1.711 173.850 175.510 0.085 0.000 1.288 136 N CA -0.522 52.584 53.050 0.092 0.000 0.869 136 N CB 1.077 39.594 38.487 0.050 0.000 1.071 136 N HN 0.107 nan 8.380 nan 0.000 0.480 137 P HA -0.091 nan 4.420 nan 0.000 0.231 137 P C 1.540 178.853 177.300 0.023 0.000 1.158 137 P CA 0.715 63.688 63.100 -0.211 0.000 0.763 137 P CB 0.336 31.658 31.700 -0.630 0.000 0.805 138 I N -0.468 120.111 120.570 0.015 0.000 2.315 138 I HA -0.205 3.965 4.170 0.001 0.000 0.248 138 I C 2.466 178.560 176.117 -0.039 0.000 1.117 138 I CA 1.122 62.350 61.300 -0.120 0.000 1.404 138 I CB -0.429 37.457 38.000 -0.190 0.000 1.071 138 I HN -0.107 nan 8.210 nan 0.000 0.419 139 L N 0.190 121.432 121.223 0.031 0.000 2.083 139 L HA -0.227 4.113 4.340 0.001 0.000 0.209 139 L C 1.941 178.884 176.870 0.121 0.000 1.083 139 L CA 1.373 56.268 54.840 0.091 0.000 0.752 139 L CB -0.776 41.345 42.059 0.103 0.000 0.899 139 L HN 0.234 nan 8.230 nan 0.000 0.433 140 D N 0.500 120.963 120.400 0.106 0.000 2.097 140 D HA -0.152 4.488 4.640 0.001 0.000 0.197 140 D C 2.283 178.556 176.300 -0.045 0.000 0.984 140 D CA 1.393 55.452 54.000 0.100 0.000 0.826 140 D CB -0.134 40.749 40.800 0.140 0.000 0.973 140 D HN 0.295 nan 8.370 nan 0.000 0.460 141 A N 0.692 123.488 122.820 -0.041 0.000 1.877 141 A HA -0.247 4.073 4.320 0.001 0.000 0.216 141 A C 2.112 179.626 177.584 -0.116 0.000 1.186 141 A CA 1.810 53.787 52.037 -0.101 0.000 0.620 141 A CB -0.716 18.284 19.000 0.001 0.000 0.822 141 A HN 0.264 nan 8.150 nan 0.000 0.443 142 E N -0.149 120.021 120.200 -0.048 0.000 2.058 142 E HA -0.164 4.186 4.350 0.001 0.000 0.194 142 E C 2.165 178.767 176.600 0.004 0.000 0.997 142 E CA 1.182 57.571 56.400 -0.019 0.000 0.801 142 E CB -0.291 29.433 29.700 0.041 0.000 0.746 142 E HN 0.530 nan 8.360 nan 0.000 0.450 143 A N 0.459 123.352 122.820 0.121 0.000 1.908 143 A HA -0.177 4.143 4.320 0.001 0.000 0.218 143 A C 2.412 179.972 177.584 -0.040 0.000 1.181 143 A CA 1.732 53.958 52.037 0.314 0.000 0.627 143 A CB -0.745 18.599 19.000 0.574 0.000 0.818 143 A HN 0.244 nan 8.150 nan 0.000 0.445 144 V N -0.344 119.303 119.914 -0.446 0.000 2.358 144 V HA -0.211 3.910 4.120 0.001 0.000 0.246 144 V C 2.541 178.439 176.094 -0.327 0.000 1.047 144 V CA 1.919 63.796 62.300 -0.704 0.000 1.035 144 V CB -0.783 30.556 31.823 -0.808 0.000 0.658 144 V HN 0.385 nan 8.190 nan 0.000 0.452 145 V N -0.239 119.547 119.914 -0.212 0.000 2.427 145 V HA -0.210 3.910 4.120 0.001 0.000 0.248 145 V C 2.292 178.342 176.094 -0.074 0.000 1.051 145 V CA 1.644 63.889 62.300 -0.091 0.000 1.048 145 V CB -0.594 31.188 31.823 -0.069 0.000 0.666 145 V HN 0.424 nan 8.190 nan 0.000 0.456 146 L N -0.607 120.535 121.223 -0.135 0.000 2.017 146 L HA -0.174 4.167 4.340 0.001 0.000 0.208 146 L C 2.493 179.208 176.870 -0.258 0.000 1.073 146 L CA 1.352 56.107 54.840 -0.142 0.000 0.745 146 L CB -0.641 41.339 42.059 -0.132 0.000 0.894 146 L HN 0.350 nan 8.230 nan 0.000 0.432 147 L N -0.890 119.931 121.223 -0.671 0.000 2.017 147 L HA -0.277 4.063 4.340 0.001 0.000 0.208 147 L C 2.499 179.173 176.870 -0.326 0.000 1.073 147 L CA 1.847 56.146 54.840 -0.901 0.000 0.745 147 L CB -0.896 40.524 42.059 -1.065 0.000 0.894 147 L HN 0.172 nan 8.230 nan 0.000 0.432 148 Y N 0.570 120.685 120.300 -0.309 0.000 2.128 148 Y HA -0.228 4.322 4.550 0.000 0.000 0.284 148 Y C 2.486 178.280 175.900 -0.176 0.000 1.154 148 Y CA 2.173 60.156 58.100 -0.195 0.000 1.149 148 Y CB -0.181 38.191 38.460 -0.147 0.000 0.976 148 Y HN 0.306 nan 8.280 nan 0.000 0.505 149 E N -0.755 119.344 120.200 -0.168 0.000 2.106 149 E HA -0.197 4.153 4.350 0.001 0.000 0.192 149 E C 2.477 178.939 176.600 -0.231 0.000 0.984 149 E CA 1.204 57.474 56.400 -0.218 0.000 0.806 149 E CB -0.890 28.748 29.700 -0.103 0.000 0.750 149 E HN 0.525 nan 8.360 nan 0.000 0.458 150 C N 0.524 119.705 119.300 -0.198 0.000 2.413 150 C HA -0.121 4.339 4.460 0.001 0.000 0.276 150 C C 2.786 177.596 174.990 -0.300 0.000 1.248 150 C CA 0.597 59.509 59.018 -0.176 0.000 1.742 150 C CB -1.113 26.592 27.740 -0.058 0.000 2.017 150 C HN 0.354 nan 8.230 nan 0.000 0.481 151 L N 0.073 121.061 121.223 -0.393 0.000 2.095 151 L HA -0.050 4.291 4.340 0.001 0.000 0.204 151 L C 2.546 179.196 176.870 -0.367 0.000 1.080 151 L CA 1.096 55.690 54.840 -0.410 0.000 0.759 151 L CB -0.646 41.178 42.059 -0.391 0.000 0.914 151 L HN 0.139 nan 8.230 nan 0.000 0.439 152 K N 0.463 120.610 120.400 -0.422 0.000 2.057 152 K HA -0.160 4.161 4.320 0.001 0.000 0.207 152 K C 2.083 178.521 176.600 -0.269 0.000 1.049 152 K CA 1.279 57.327 56.287 -0.398 0.000 0.931 152 K CB -0.047 32.130 32.500 -0.538 0.000 0.714 152 K HN 0.134 nan 8.250 nan 0.000 0.440 153 E N 0.158 120.214 120.200 -0.240 0.000 2.204 153 E HA -0.127 4.223 4.350 0.001 0.000 0.194 153 E C 1.853 178.331 176.600 -0.203 0.000 0.989 153 E CA 0.750 57.042 56.400 -0.180 0.000 0.824 153 E CB -0.032 29.580 29.700 -0.147 0.000 0.756 153 E HN 0.356 nan 8.360 nan 0.000 0.477 154 L N -0.604 120.459 121.223 -0.267 0.000 2.376 154 L HA -0.045 4.295 4.340 0.001 0.000 0.219 154 L C 1.657 178.202 176.870 -0.542 0.000 1.133 154 L CA 0.891 55.524 54.840 -0.344 0.000 0.816 154 L CB -0.132 41.714 42.059 -0.356 0.000 0.933 154 L HN 0.294 nan 8.230 nan 0.000 0.449 155 G N -0.645 107.898 108.800 -0.429 0.000 2.211 155 G HA2 -0.207 3.754 3.960 0.001 0.000 0.201 155 G HA3 -0.207 3.754 3.960 0.001 0.000 0.201 155 G C 0.238 175.011 174.900 -0.212 0.000 0.997 155 G CA -0.525 44.343 45.100 -0.387 0.000 0.652 155 G HN 0.117 nan 8.290 nan 0.000 0.500 156 L N 0.662 121.716 121.223 -0.281 0.000 2.490 156 L HA 0.385 4.725 4.340 0.001 0.000 0.274 156 L C 1.797 178.659 176.870 -0.014 0.000 1.201 156 L CA -0.105 54.688 54.840 -0.079 0.000 0.869 156 L CB 0.549 42.523 42.059 -0.141 0.000 1.123 156 L HN 0.125 nan 8.230 nan 0.000 0.484 157 R N 1.714 122.268 120.500 0.089 0.000 2.350 157 R HA 0.133 4.473 4.340 0.001 0.000 0.199 157 R C 0.531 176.876 176.300 0.075 0.000 0.876 157 R CA 0.049 56.187 56.100 0.063 0.000 1.062 157 R CB 0.298 30.648 30.300 0.082 0.000 1.263 157 R HN 0.455 nan 8.270 nan 0.000 0.641 158 R N 1.842 122.405 120.500 0.106 0.000 4.496 158 R HA 0.232 4.572 4.340 0.001 0.000 0.211 158 R C -0.576 175.740 176.300 0.028 0.000 1.738 158 R CA 0.080 56.195 56.100 0.025 0.000 1.528 158 R CB 0.013 30.266 30.300 -0.078 0.000 1.414 158 R HN -0.162 nan 8.270 nan 0.000 0.812 159 L N 0.727 122.012 121.223 0.103 0.000 2.344 159 L HA 0.500 4.841 4.340 0.001 0.000 0.272 159 L C 0.210 177.162 176.870 0.137 0.000 1.035 159 L CA -0.710 54.220 54.840 0.150 0.000 0.807 159 L CB 1.195 43.361 42.059 0.178 0.000 1.237 159 L HN 0.143 nan 8.230 nan 0.000 0.442 160 K N 2.005 122.494 120.400 0.149 0.000 2.572 160 K HA 0.402 4.723 4.320 0.001 0.000 0.244 160 K C -1.000 175.697 176.600 0.162 0.000 0.965 160 K CA -0.481 55.877 56.287 0.119 0.000 0.943 160 K CB 1.893 34.436 32.500 0.072 0.000 1.154 160 K HN 0.254 nan 8.250 nan 0.000 0.447 161 V N 3.172 123.169 119.914 0.139 0.000 2.614 161 V HA 0.246 4.367 4.120 0.001 0.000 0.291 161 V C 0.314 176.499 176.094 0.153 0.000 1.049 161 V CA -0.241 62.146 62.300 0.144 0.000 1.038 161 V CB 0.624 32.472 31.823 0.041 0.000 0.980 161 V HN 0.460 nan 8.190 nan 0.000 0.481 162 K N 4.449 124.960 120.400 0.185 0.000 2.426 162 K HA 0.679 4.999 4.320 0.001 0.000 0.254 162 K C -1.323 175.384 176.600 0.178 0.000 0.936 162 K CA -0.764 55.621 56.287 0.162 0.000 0.801 162 K CB 2.396 34.965 32.500 0.115 0.000 1.139 162 K HN 0.426 nan 8.250 nan 0.000 0.424 163 L N 0.828 122.145 121.223 0.156 0.000 2.341 163 L HA 0.710 5.051 4.340 0.001 0.000 0.267 163 L C -0.634 176.289 176.870 0.090 0.000 1.009 163 L CA 0.063 54.962 54.840 0.098 0.000 0.819 163 L CB 2.126 44.133 42.059 -0.086 0.000 1.323 163 L HN 0.736 nan 8.230 nan 0.000 0.425 164 S N 1.148 116.891 115.700 0.071 0.000 2.680 164 S HA 0.768 5.239 4.470 0.001 0.000 0.276 164 S C -1.790 172.836 174.600 0.043 0.000 1.189 164 S CA -0.004 58.225 58.200 0.048 0.000 0.909 164 S CB 0.745 63.965 63.200 0.034 0.000 1.227 164 S HN 1.008 nan 8.310 nan 0.000 0.501 165 S N -0.402 115.311 115.700 0.022 0.000 2.550 165 S HA 0.584 5.054 4.470 0.001 0.000 0.270 165 S C -0.284 174.316 174.600 0.000 0.000 1.145 165 S CA 0.113 58.328 58.200 0.025 0.000 0.852 165 S CB 1.398 64.619 63.200 0.035 0.000 1.119 165 S HN 1.565 nan 8.310 nan 0.000 0.465 166 V N 1.036 120.959 119.914 0.015 0.000 3.380 166 V HA 0.709 4.830 4.120 0.001 0.000 0.307 166 V C 1.121 177.231 176.094 0.026 0.000 1.434 166 V CA 0.690 62.998 62.300 0.014 0.000 1.075 166 V CB -0.754 31.101 31.823 0.052 0.000 0.954 166 V HN 1.665 nan 8.190 nan 0.000 0.444 167 G N 1.206 110.020 108.800 0.023 0.000 2.569 167 G HA2 -0.201 3.759 3.960 0.001 0.000 0.259 167 G HA3 -0.201 3.759 3.960 0.001 0.000 0.259 167 G C -0.661 174.257 174.900 0.029 0.000 1.263 167 G CA 0.383 45.498 45.100 0.026 0.000 0.928 167 G HN 0.557 nan 8.290 nan 0.000 0.572 168 D N 1.544 121.964 120.400 0.034 0.000 2.384 168 D HA 0.478 5.119 4.640 0.001 0.000 0.250 168 D C -0.980 175.350 176.300 0.049 0.000 1.029 168 D CA -0.709 53.309 54.000 0.030 0.000 0.990 168 D CB 1.626 42.438 40.800 0.021 0.000 1.175 168 D HN 0.166 nan 8.370 nan 0.000 0.532 169 P HA -0.196 nan 4.420 nan 0.000 0.217 169 P C 0.686 178.021 177.300 0.058 0.000 1.151 169 P CA 1.527 64.659 63.100 0.054 0.000 0.849 169 P CB 0.554 32.281 31.700 0.044 0.000 0.787 170 E N 0.180 120.413 120.200 0.054 0.000 2.028 170 E HA -0.152 4.198 4.350 0.001 0.000 0.191 170 E C 1.928 178.578 176.600 0.084 0.000 0.988 170 E CA 1.362 57.799 56.400 0.061 0.000 0.799 170 E CB -0.857 28.874 29.700 0.052 0.000 0.755 170 E HN 0.300 nan 8.360 nan 0.000 0.447 171 D N 0.120 120.572 120.400 0.087 0.000 2.144 171 D HA -0.154 4.486 4.640 0.001 0.000 0.199 171 D C 1.923 178.304 176.300 0.134 0.000 0.984 171 D CA 0.826 54.897 54.000 0.119 0.000 0.834 171 D CB -0.222 40.634 40.800 0.094 0.000 0.955 171 D HN 0.071 nan 8.370 nan 0.000 0.465 172 R N 0.783 121.346 120.500 0.106 0.000 2.081 172 R HA -0.106 4.235 4.340 0.001 0.000 0.235 172 R C 2.178 178.548 176.300 0.118 0.000 1.131 172 R CA 1.448 57.617 56.100 0.115 0.000 0.960 172 R CB -0.127 30.229 30.300 0.093 0.000 0.856 172 R HN 0.110 nan 8.270 nan 0.000 0.436 173 A N 1.191 124.067 122.820 0.094 0.000 1.858 173 A HA -0.181 4.140 4.320 0.001 0.000 0.216 173 A C 2.175 179.812 177.584 0.089 0.000 1.190 173 A CA 1.561 53.644 52.037 0.076 0.000 0.617 173 A CB -0.501 18.538 19.000 0.065 0.000 0.827 173 A HN 0.367 nan 8.150 nan 0.000 0.443 174 R N -2.267 118.308 120.500 0.126 0.000 2.105 174 R HA -0.166 4.174 4.340 0.001 0.000 0.239 174 R C 2.160 178.554 176.300 0.158 0.000 1.135 174 R CA 1.677 57.878 56.100 0.168 0.000 0.967 174 R CB -0.537 29.901 30.300 0.229 0.000 0.861 174 R HN 0.670 nan 8.270 nan 0.000 0.442 175 Y N 2.143 122.397 120.300 -0.077 0.000 2.242 175 Y HA -0.158 4.393 4.550 0.001 0.000 0.291 175 Y C 1.886 177.706 175.900 -0.132 0.000 1.137 175 Y CA 1.157 59.037 58.100 -0.367 0.000 1.181 175 Y CB -0.281 37.945 38.460 -0.390 0.000 0.989 175 Y HN 0.012 nan 8.280 nan 0.000 0.527 176 N N 0.356 119.006 118.700 -0.083 0.000 2.084 176 N HA -0.183 4.557 4.740 0.001 0.000 0.190 176 N C 2.043 177.480 175.510 -0.122 0.000 1.030 176 N CA 1.538 54.510 53.050 -0.132 0.000 0.849 176 N CB -0.755 37.712 38.487 -0.033 0.000 1.012 176 N HN 0.474 nan 8.380 nan 0.000 0.423 177 A N 0.666 123.466 122.820 -0.033 0.000 1.883 177 A HA -0.227 4.093 4.320 0.001 0.000 0.217 177 A C 2.191 179.767 177.584 -0.013 0.000 1.186 177 A CA 1.558 53.593 52.037 -0.003 0.000 0.624 177 A CB -1.216 17.817 19.000 0.055 0.000 0.822 177 A HN 0.483 nan 8.150 nan 0.000 0.444 178 Y N 0.600 120.826 120.300 -0.122 0.000 2.128 178 Y HA -0.223 4.328 4.550 0.001 0.000 0.284 178 Y C 1.915 177.699 175.900 -0.192 0.000 1.154 178 Y CA 2.019 60.050 58.100 -0.114 0.000 1.149 178 Y CB -0.502 37.864 38.460 -0.156 0.000 0.976 178 Y HN 0.212 nan 8.280 nan 0.000 0.505 179 L N 0.007 120.916 121.223 -0.525 0.000 2.042 179 L HA -0.247 4.093 4.340 0.001 0.000 0.210 179 L C 2.717 179.375 176.870 -0.353 0.000 1.076 179 L CA 1.750 56.251 54.840 -0.564 0.000 0.749 179 L CB -0.537 41.234 42.059 -0.479 0.000 0.893 179 L HN 0.182 nan 8.230 nan 0.000 0.432 180 R N -0.044 120.316 120.500 -0.233 0.000 2.073 180 R HA -0.164 4.177 4.340 0.001 0.000 0.234 180 R C 2.217 178.436 176.300 -0.135 0.000 1.134 180 R CA 1.531 57.544 56.100 -0.145 0.000 0.952 180 R CB -0.323 29.922 30.300 -0.093 0.000 0.850 180 R HN 0.426 nan 8.270 nan 0.000 0.433 181 E N 0.072 120.189 120.200 -0.138 0.000 2.118 181 E HA -0.172 4.178 4.350 0.001 0.000 0.195 181 E C 1.955 178.485 176.600 -0.117 0.000 0.992 181 E CA 1.495 57.836 56.400 -0.098 0.000 0.804 181 E CB 0.049 29.720 29.700 -0.049 0.000 0.741 181 E HN 0.132 nan 8.360 nan 0.000 0.458 182 V N 0.767 120.539 119.914 -0.236 0.000 2.535 182 V HA -0.150 3.970 4.120 0.001 0.000 0.246 182 V C 2.083 178.148 176.094 -0.048 0.000 1.045 182 V CA 1.139 63.327 62.300 -0.187 0.000 1.058 182 V CB -0.224 31.347 31.823 -0.419 0.000 0.689 182 V HN 0.210 nan 8.190 nan 0.000 0.461 183 L N 0.544 121.703 121.223 -0.106 0.000 2.168 183 L HA -0.040 4.300 4.340 0.001 0.000 0.203 183 L C 2.796 179.673 176.870 0.011 0.000 1.078 183 L CA 1.244 56.067 54.840 -0.029 0.000 0.780 183 L CB -0.708 41.296 42.059 -0.092 0.000 0.939 183 L HN 0.488 nan 8.230 nan 0.000 0.451 184 S N 0.709 116.386 115.700 -0.039 0.000 2.372 184 S HA -0.131 4.339 4.470 0.001 0.000 0.227 184 S C -0.264 174.298 174.600 -0.063 0.000 1.044 184 S CA 1.436 59.609 58.200 -0.045 0.000 1.050 184 S CB -2.142 61.026 63.200 -0.053 0.000 0.901 184 S HN 0.315 nan 8.310 nan 0.000 0.447 185 P HA -0.028 nan 4.420 nan 0.000 0.230 185 P C 0.009 177.089 177.300 -0.367 0.000 1.158 185 P CA 1.202 64.159 63.100 -0.238 0.000 0.769 185 P CB -0.380 31.139 31.700 -0.302 0.000 0.807 186 H N -1.594 117.450 119.070 -0.043 0.000 2.528 186 H HA 0.292 4.848 4.556 0.001 0.000 0.282 186 H C 2.026 177.332 175.328 -0.037 0.000 1.097 186 H CA -0.341 55.685 56.048 -0.037 0.000 1.121 186 H CB -0.036 29.702 29.762 -0.040 0.000 1.590 186 H HN -0.079 nan 8.280 nan 0.000 0.553 187 R N 1.426 121.941 120.500 0.025 0.000 2.133 187 R HA -0.197 4.144 4.340 0.001 0.000 0.247 187 R C 0.993 177.298 176.300 0.008 0.000 1.151 187 R CA 1.807 57.910 56.100 0.005 0.000 0.971 187 R CB 0.068 30.356 30.300 -0.019 0.000 0.866 187 R HN 0.494 nan 8.270 nan 0.000 0.447 188 E N -0.835 119.369 120.200 0.006 0.000 2.463 188 E HA -0.127 4.223 4.350 0.001 0.000 0.201 188 E C 1.051 177.660 176.600 0.015 0.000 1.045 188 E CA 0.704 57.107 56.400 0.005 0.000 0.872 188 E CB 0.140 29.839 29.700 -0.001 0.000 0.797 188 E HN 0.439 nan 8.360 nan 0.000 0.538 189 A N 0.610 123.447 122.820 0.029 0.000 2.387 189 A HA 0.209 4.529 4.320 0.001 0.000 0.234 189 A C 0.578 178.169 177.584 0.011 0.000 1.253 189 A CA -0.217 51.834 52.037 0.024 0.000 0.894 189 A CB 0.164 19.186 19.000 0.037 0.000 0.963 189 A HN 0.027 nan 8.150 nan 0.000 0.508 190 L N 0.254 121.481 121.223 0.007 0.000 2.399 190 L HA 0.353 4.693 4.340 0.001 0.000 0.265 190 L C 0.343 177.211 176.870 -0.004 0.000 1.089 190 L CA -0.633 54.206 54.840 -0.002 0.000 0.802 190 L CB 1.533 43.588 42.059 -0.006 0.000 1.180 190 L HN 0.049 nan 8.230 nan 0.000 0.454 191 S N 0.460 116.157 115.700 -0.006 0.000 2.576 191 S HA 0.015 4.485 4.470 0.001 0.000 0.276 191 S C 0.829 175.425 174.600 -0.007 0.000 1.339 191 S CA -0.534 57.663 58.200 -0.005 0.000 1.039 191 S CB 1.346 64.543 63.200 -0.005 0.000 0.902 191 S HN 0.566 nan 8.310 nan 0.000 0.516 192 E N 1.972 122.169 120.200 -0.006 0.000 2.136 192 E HA -0.233 4.117 4.350 0.001 0.000 0.202 192 E C 1.555 178.150 176.600 -0.008 0.000 1.019 192 E CA 1.828 58.224 56.400 -0.007 0.000 0.819 192 E CB -0.215 29.481 29.700 -0.006 0.000 0.739 192 E HN 0.761 nan 8.360 nan 0.000 0.458 193 D N -0.772 119.623 120.400 -0.008 0.000 2.092 193 D HA -0.135 4.506 4.640 0.001 0.000 0.193 193 D C 1.759 178.053 176.300 -0.011 0.000 0.994 193 D CA 1.934 55.929 54.000 -0.009 0.000 0.828 193 D CB -0.235 40.560 40.800 -0.008 0.000 0.963 193 D HN 0.078 nan 8.370 nan 0.000 0.450 194 S N -0.261 115.432 115.700 -0.012 0.000 2.382 194 S HA -0.142 4.329 4.470 0.001 0.000 0.228 194 S C 1.825 176.414 174.600 -0.018 0.000 1.027 194 S CA 0.977 59.168 58.200 -0.015 0.000 0.991 194 S CB -0.272 62.919 63.200 -0.015 0.000 0.823 194 S HN 0.351 nan 8.310 nan 0.000 0.469 195 K N 1.032 121.423 120.400 -0.016 0.000 2.211 195 K HA -0.110 4.210 4.320 0.001 0.000 0.204 195 K C 2.075 178.664 176.600 -0.018 0.000 1.047 195 K CA 1.199 57.476 56.287 -0.017 0.000 0.935 195 K CB -0.096 32.396 32.500 -0.013 0.000 0.728 195 K HN 0.499 nan 8.250 nan 0.000 0.452 196 E N 0.408 120.598 120.200 -0.016 0.000 2.051 196 E HA -0.080 4.270 4.350 0.001 0.000 0.189 196 E C 1.999 178.588 176.600 -0.018 0.000 0.979 196 E CA 0.568 56.959 56.400 -0.015 0.000 0.803 196 E CB 0.044 29.737 29.700 -0.013 0.000 0.761 196 E HN 0.201 nan 8.360 nan 0.000 0.451 197 R N 0.569 121.058 120.500 -0.018 0.000 2.200 197 R HA -0.123 4.218 4.340 0.001 0.000 0.234 197 R C 2.233 178.517 176.300 -0.028 0.000 1.127 197 R CA 0.512 56.600 56.100 -0.020 0.000 0.989 197 R CB -0.236 30.053 30.300 -0.018 0.000 0.869 197 R HN 0.088 nan 8.270 nan 0.000 0.459 198 L N 1.171 122.375 121.223 -0.032 0.000 2.275 198 L HA -0.127 4.213 4.340 0.001 0.000 0.215 198 L C 1.875 178.721 176.870 -0.039 0.000 1.119 198 L CA 1.692 56.506 54.840 -0.043 0.000 0.790 198 L CB -0.147 41.887 42.059 -0.042 0.000 0.919 198 L HN 0.066 nan 8.230 nan 0.000 0.443 199 E N 0.001 120.184 120.200 -0.028 0.000 2.033 199 E HA 0.016 4.366 4.350 0.001 0.000 0.189 199 E C 0.306 176.894 176.600 -0.020 0.000 0.979 199 E CA 0.766 57.152 56.400 -0.023 0.000 0.802 199 E CB 0.099 29.788 29.700 -0.018 0.000 0.763 199 E HN 0.538 nan 8.360 nan 0.000 0.449 200 E N 1.222 121.412 120.200 -0.017 0.000 2.185 200 E HA 0.191 4.541 4.350 0.001 0.000 0.261 200 E C -1.012 175.580 176.600 -0.012 0.000 0.879 200 E CA -0.480 55.913 56.400 -0.012 0.000 0.756 200 E CB 1.120 30.815 29.700 -0.008 0.000 1.152 200 E HN 0.020 nan 8.360 nan 0.000 0.416 201 N N 3.270 121.964 118.700 -0.009 0.000 2.725 201 N HA -0.116 4.625 4.740 0.001 0.000 0.256 201 N C -2.351 173.150 175.510 -0.015 0.000 1.087 201 N CA -0.025 53.023 53.050 -0.004 0.000 0.690 201 N CB -0.483 38.006 38.487 0.004 0.000 0.891 201 N HN 0.343 nan 8.380 nan 0.000 0.553 202 P HA -0.167 nan 4.420 nan 0.000 0.218 202 P C 1.704 178.971 177.300 -0.055 0.000 1.146 202 P CA 1.201 64.263 63.100 -0.063 0.000 0.813 202 P CB 0.054 31.688 31.700 -0.110 0.000 0.778 203 M N -1.435 118.150 119.600 -0.025 0.000 2.192 203 M HA -0.252 4.228 4.480 0.001 0.000 0.259 203 M C 2.064 178.388 176.300 0.039 0.000 1.071 203 M CA 1.851 57.174 55.300 0.039 0.000 1.082 203 M CB -0.564 32.107 32.600 0.118 0.000 1.373 203 M HN -0.060 nan 8.290 nan 0.000 0.408 204 R N 0.126 120.637 120.500 0.019 0.000 2.127 204 R HA -0.133 4.208 4.340 0.001 0.000 0.238 204 R C 2.147 178.452 176.300 0.009 0.000 1.134 204 R CA 1.329 57.438 56.100 0.015 0.000 0.975 204 R CB -0.703 29.599 30.300 0.003 0.000 0.865 204 R HN 0.445 nan 8.270 nan 0.000 0.447 205 I N 1.220 121.787 120.570 -0.005 0.000 2.530 205 I HA -0.280 3.891 4.170 0.001 0.000 0.257 205 I C 1.719 177.837 176.117 0.002 0.000 1.179 205 I CA 1.134 62.428 61.300 -0.011 0.000 1.440 205 I CB 0.109 38.090 38.000 -0.031 0.000 1.087 205 I HN 0.191 nan 8.210 nan 0.000 0.440 206 L N -0.011 121.224 121.223 0.020 0.000 2.023 206 L HA -0.173 4.168 4.340 0.001 0.000 0.205 206 L C 1.321 178.212 176.870 0.035 0.000 1.073 206 L CA 1.216 56.081 54.840 0.041 0.000 0.745 206 L CB -0.558 41.552 42.059 0.085 0.000 0.900 206 L HN 0.098 nan 8.230 nan 0.000 0.435 207 D N 0.073 120.494 120.400 0.035 0.000 2.400 207 D HA 0.024 4.664 4.640 0.001 0.000 0.243 207 D C 0.631 176.943 176.300 0.020 0.000 1.184 207 D CA 0.029 54.047 54.000 0.030 0.000 0.853 207 D CB 0.001 40.822 40.800 0.034 0.000 0.944 207 D HN 0.221 nan 8.370 nan 0.000 0.501 208 S N -1.095 114.613 115.700 0.014 0.000 2.693 208 S HA 0.448 4.919 4.470 0.001 0.000 0.276 208 S C 0.638 175.243 174.600 0.008 0.000 1.192 208 S CA -0.826 57.379 58.200 0.008 0.000 0.994 208 S CB 2.241 65.442 63.200 0.002 0.000 1.012 208 S HN -0.220 nan 8.310 nan 0.000 0.550 209 K N 0.344 120.747 120.400 0.005 0.000 2.760 209 K HA 0.558 4.878 4.320 0.001 0.000 0.285 209 K C 0.387 176.989 176.600 0.003 0.000 1.016 209 K CA -0.346 55.944 56.287 0.006 0.000 1.087 209 K CB 0.114 32.617 32.500 0.005 0.000 1.427 209 K HN 0.920 nan 8.250 nan 0.000 0.524 210 S N -0.275 115.427 115.700 0.003 0.000 3.349 210 S HA -0.148 4.323 4.470 0.001 0.000 0.854 210 S C 0.743 175.344 174.600 0.001 0.000 1.140 210 S CA 0.726 58.927 58.200 0.001 0.000 1.044 210 S CB -0.214 62.986 63.200 -0.000 0.000 0.716 210 S HN 0.644 nan 8.310 nan 0.000 0.271 211 E N 1.910 122.110 120.200 0.000 0.000 2.216 211 E HA 0.075 4.426 4.350 0.001 0.000 0.192 211 E C 2.069 178.667 176.600 -0.003 0.000 0.988 211 E CA 1.268 57.668 56.400 -0.001 0.000 0.834 211 E CB -0.090 29.610 29.700 -0.000 0.000 0.772 211 E HN 0.515 nan 8.360 nan 0.000 0.479 212 R N 0.442 120.940 120.500 -0.003 0.000 2.139 212 R HA -0.174 4.166 4.340 0.001 0.000 0.243 212 R C 0.736 177.032 176.300 -0.007 0.000 1.145 212 R CA 1.831 57.928 56.100 -0.004 0.000 0.976 212 R CB 0.018 30.316 30.300 -0.002 0.000 0.866 212 R HN 0.209 nan 8.270 nan 0.000 0.449 213 D N -0.536 119.860 120.400 -0.007 0.000 2.202 213 D HA -0.085 4.555 4.640 0.001 0.000 0.214 213 D C 2.081 178.374 176.300 -0.010 0.000 0.967 213 D CA 0.510 54.504 54.000 -0.010 0.000 0.871 213 D CB -0.303 40.492 40.800 -0.007 0.000 1.020 213 D HN 0.117 nan 8.370 nan 0.000 0.474 214 Q N 1.230 121.027 119.800 -0.005 0.000 2.045 214 Q HA -0.123 4.218 4.340 0.001 0.000 0.206 214 Q C 2.248 178.244 176.000 -0.007 0.000 0.991 214 Q CA 1.500 57.302 55.803 -0.002 0.000 0.851 214 Q CB -0.735 28.004 28.738 0.002 0.000 0.911 214 Q HN 0.256 nan 8.270 nan 0.000 0.418 215 A N 0.790 123.605 122.820 -0.009 0.000 1.902 215 A HA -0.164 4.156 4.320 0.001 0.000 0.217 215 A C 2.166 179.735 177.584 -0.024 0.000 1.181 215 A CA 1.469 53.499 52.037 -0.013 0.000 0.623 215 A CB -0.681 18.312 19.000 -0.011 0.000 0.818 215 A HN 0.329 nan 8.150 nan 0.000 0.443 216 L N -0.072 121.132 121.223 -0.031 0.000 1.994 216 L HA -0.122 4.219 4.340 0.001 0.000 0.208 216 L C 2.307 179.137 176.870 -0.066 0.000 1.071 216 L CA 1.813 56.619 54.840 -0.057 0.000 0.745 216 L CB -0.634 41.393 42.059 -0.054 0.000 0.892 216 L HN 0.406 nan 8.230 nan 0.000 0.431 217 L N -0.606 120.592 121.223 -0.042 0.000 2.043 217 L HA -0.280 4.061 4.340 0.001 0.000 0.212 217 L C 2.654 179.516 176.870 -0.014 0.000 1.075 217 L CA 1.641 56.465 54.840 -0.028 0.000 0.752 217 L CB -0.707 41.350 42.059 -0.004 0.000 0.891 217 L HN 0.300 nan 8.230 nan 0.000 0.432 218 K N 0.244 120.637 120.400 -0.011 0.000 1.985 218 K HA -0.231 4.089 4.320 0.001 0.000 0.210 218 K C 2.048 178.641 176.600 -0.012 0.000 1.047 218 K CA 2.025 58.310 56.287 -0.003 0.000 0.932 218 K CB -0.204 32.294 32.500 -0.003 0.000 0.716 218 K HN 0.500 nan 8.250 nan 0.000 0.439 219 E N 1.134 121.316 120.200 -0.030 0.000 2.150 219 E HA -0.172 4.178 4.350 0.001 0.000 0.193 219 E C 1.912 178.479 176.600 -0.055 0.000 0.985 219 E CA 0.912 57.289 56.400 -0.039 0.000 0.814 219 E CB -0.340 29.332 29.700 -0.046 0.000 0.752 219 E HN 0.217 nan 8.360 nan 0.000 0.466 220 L N 0.583 121.754 121.223 -0.086 0.000 2.376 220 L HA 0.045 4.385 4.340 0.001 0.000 0.219 220 L C 1.229 178.087 176.870 -0.020 0.000 1.133 220 L CA 0.647 55.423 54.840 -0.105 0.000 0.816 220 L CB -0.539 41.417 42.059 -0.172 0.000 0.933 220 L HN 0.542 nan 8.230 nan 0.000 0.449 221 G N 0.786 109.593 108.800 0.012 0.000 2.314 221 G HA2 -0.240 3.721 3.960 0.001 0.000 0.292 221 G HA3 -0.240 3.721 3.960 0.001 0.000 0.292 221 G C 0.074 175.050 174.900 0.126 0.000 1.059 221 G CA 0.085 45.221 45.100 0.061 0.000 0.982 221 G HN 0.103 nan 8.290 nan 0.000 0.505 222 V N 0.580 120.567 119.914 0.123 0.000 2.485 222 V HA 0.177 4.297 4.120 0.001 0.000 0.287 222 V C 1.358 177.635 176.094 0.304 0.000 1.022 222 V CA 0.200 62.637 62.300 0.228 0.000 1.067 222 V CB 0.911 32.812 31.823 0.131 0.000 0.967 222 V HN 0.640 nan 8.190 nan 0.000 0.479 223 R N 6.248 127.025 120.500 0.461 0.000 2.438 223 R HA 0.296 4.636 4.340 0.001 0.000 0.287 223 R C -2.447 174.088 176.300 0.391 0.000 1.077 223 R CA -1.554 54.756 56.100 0.350 0.000 1.034 223 R CB 0.808 31.286 30.300 0.296 0.000 0.993 223 R HN 0.442 nan 8.270 nan 0.000 0.459 224 P HA -0.083 nan 4.420 nan 0.000 0.267 224 P C 0.177 177.414 177.300 -0.104 0.000 1.200 224 P CA -0.014 63.141 63.100 0.092 0.000 0.772 224 P CB 0.497 32.226 31.700 0.049 0.000 0.855 225 M N 3.626 122.951 119.600 -0.459 0.000 2.267 225 M HA -0.124 4.356 4.480 0.001 0.000 0.263 225 M C 1.357 177.488 176.300 -0.282 0.000 1.063 225 M CA 1.706 56.468 55.300 -0.896 0.000 1.090 225 M CB -1.223 30.977 32.600 -0.666 0.000 1.392 225 M HN 0.295 nan 8.290 nan 0.000 0.422 226 L N -0.245 120.906 121.223 -0.121 0.000 2.042 226 L HA -0.274 4.067 4.340 0.001 0.000 0.210 226 L C 1.726 178.586 176.870 -0.017 0.000 1.076 226 L CA 1.572 56.386 54.840 -0.043 0.000 0.749 226 L CB -0.840 41.207 42.059 -0.021 0.000 0.893 226 L HN 0.311 nan 8.230 nan 0.000 0.432 227 D N -0.630 119.772 120.400 0.002 0.000 2.350 227 D HA -0.140 4.501 4.640 0.001 0.000 0.216 227 D C 1.416 177.583 176.300 -0.222 0.000 0.968 227 D CA 1.136 55.071 54.000 -0.109 0.000 0.894 227 D CB 0.047 40.740 40.800 -0.177 0.000 0.909 227 D HN 0.300 nan 8.370 nan 0.000 0.520 228 F N 0.428 120.282 119.950 -0.160 0.000 2.660 228 F HA 0.213 4.740 4.527 0.001 0.000 0.302 228 F C 0.989 176.745 175.800 -0.074 0.000 1.103 228 F CA -0.279 57.656 58.000 -0.109 0.000 1.340 228 F CB -0.162 38.782 39.000 -0.092 0.000 1.048 228 F HN -0.249 nan 8.300 nan 0.000 0.551 229 L N 0.179 121.434 121.223 0.052 0.000 2.456 229 L HA 0.287 4.627 4.340 0.001 0.000 0.272 229 L C 1.275 178.158 176.870 0.021 0.000 1.189 229 L CA -0.257 54.603 54.840 0.033 0.000 0.846 229 L CB 0.075 42.141 42.059 0.011 0.000 1.111 229 L HN 0.197 nan 8.230 nan 0.000 0.475 230 G N 0.905 109.722 108.800 0.030 0.000 2.553 230 G HA2 0.091 4.051 3.960 0.001 0.000 0.278 230 G HA3 0.091 4.051 3.960 0.001 0.000 0.278 230 G C 0.610 175.517 174.900 0.013 0.000 1.349 230 G CA -0.203 44.910 45.100 0.021 0.000 1.037 230 G HN 0.725 nan 8.290 nan 0.000 0.508 231 E N -0.395 119.812 120.200 0.011 0.000 2.015 231 E HA -0.114 4.237 4.350 0.001 0.000 0.191 231 E C 2.290 178.902 176.600 0.021 0.000 0.991 231 E CA 1.959 58.365 56.400 0.010 0.000 0.802 231 E CB -0.276 29.428 29.700 0.008 0.000 0.759 231 E HN 0.639 nan 8.360 nan 0.000 0.447 232 E N 0.064 120.279 120.200 0.025 0.000 2.118 232 E HA -0.204 4.147 4.350 0.001 0.000 0.195 232 E C 2.046 178.680 176.600 0.055 0.000 0.992 232 E CA 1.017 57.440 56.400 0.038 0.000 0.804 232 E CB -0.255 29.464 29.700 0.030 0.000 0.741 232 E HN 0.383 nan 8.360 nan 0.000 0.458 233 A N 1.570 124.413 122.820 0.037 0.000 1.902 233 A HA -0.199 4.121 4.320 0.001 0.000 0.217 233 A C 2.143 179.767 177.584 0.066 0.000 1.181 233 A CA 1.666 53.727 52.037 0.040 0.000 0.623 233 A CB -0.407 18.606 19.000 0.022 0.000 0.818 233 A HN 0.037 nan 8.150 nan 0.000 0.443 234 R N 0.063 120.588 120.500 0.041 0.000 2.096 234 R HA -0.045 4.296 4.340 0.001 0.000 0.235 234 R C 2.104 178.423 176.300 0.032 0.000 1.127 234 R CA 1.817 57.934 56.100 0.029 0.000 0.968 234 R CB -0.634 29.672 30.300 0.010 0.000 0.861 234 R HN 0.416 nan 8.270 nan 0.000 0.440 235 A N -0.175 122.670 122.820 0.042 0.000 1.873 235 A HA -0.188 4.132 4.320 0.001 0.000 0.215 235 A C 2.190 179.796 177.584 0.036 0.000 1.186 235 A CA 1.606 53.660 52.037 0.029 0.000 0.616 235 A CB -1.023 17.997 19.000 0.034 0.000 0.823 235 A HN 0.568 nan 8.150 nan 0.000 0.442 236 H N -0.473 118.588 119.070 -0.014 0.000 2.319 236 H HA -0.152 4.405 4.556 0.001 0.000 0.299 236 H C 2.053 177.365 175.328 -0.026 0.000 1.092 236 H CA 2.080 58.122 56.048 -0.011 0.000 1.302 236 H CB -0.227 29.537 29.762 0.004 0.000 1.373 236 H HN 0.349 nan 8.280 nan 0.000 0.497 237 L N 1.491 122.791 121.223 0.128 0.000 2.083 237 L HA -0.119 4.221 4.340 0.001 0.000 0.209 237 L C 2.410 179.255 176.870 -0.043 0.000 1.083 237 L CA 1.764 56.634 54.840 0.051 0.000 0.752 237 L CB -0.563 41.528 42.059 0.053 0.000 0.899 237 L HN -0.002 nan 8.230 nan 0.000 0.433 238 K N -0.199 120.173 120.400 -0.046 0.000 2.097 238 K HA -0.132 4.189 4.320 0.001 0.000 0.206 238 K C 2.042 178.548 176.600 -0.157 0.000 1.049 238 K CA 1.230 57.473 56.287 -0.074 0.000 0.933 238 K CB -0.170 32.298 32.500 -0.053 0.000 0.717 238 K HN 0.335 nan 8.250 nan 0.000 0.442 239 E N -0.041 120.033 120.200 -0.209 0.000 2.077 239 E HA -0.141 4.209 4.350 0.001 0.000 0.193 239 E C 2.016 178.315 176.600 -0.503 0.000 0.989 239 E CA 1.258 57.435 56.400 -0.371 0.000 0.800 239 E CB -0.274 29.230 29.700 -0.327 0.000 0.746 239 E HN 0.113 nan 8.360 nan 0.000 0.452 240 V N 1.661 121.400 119.914 -0.292 0.000 2.343 240 V HA -0.239 3.881 4.120 0.001 0.000 0.247 240 V C 2.170 178.124 176.094 -0.234 0.000 1.051 240 V CA 1.873 64.054 62.300 -0.198 0.000 1.036 240 V CB -0.513 31.230 31.823 -0.135 0.000 0.654 240 V HN 0.253 nan 8.190 nan 0.000 0.451 241 E N -0.175 119.893 120.200 -0.219 0.000 2.110 241 E HA -0.231 4.119 4.350 0.001 0.000 0.193 241 E C 2.426 178.969 176.600 -0.096 0.000 0.988 241 E CA 0.984 57.286 56.400 -0.164 0.000 0.804 241 E CB -0.197 29.497 29.700 -0.009 0.000 0.745 241 E HN 0.451 nan 8.360 nan 0.000 0.458 242 R N 0.259 120.649 120.500 -0.184 0.000 2.083 242 R HA -0.169 4.171 4.340 0.001 0.000 0.237 242 R C 2.301 178.530 176.300 -0.118 0.000 1.137 242 R CA 1.505 57.498 56.100 -0.179 0.000 0.951 242 R CB -0.111 30.008 30.300 -0.301 0.000 0.851 242 R HN 0.293 nan 8.270 nan 0.000 0.434 243 H N 0.452 119.479 119.070 -0.071 0.000 2.353 243 H HA -0.108 4.449 4.556 0.000 0.000 0.300 243 H C 2.201 177.482 175.328 -0.079 0.000 1.090 243 H CA 1.398 57.401 56.048 -0.075 0.000 1.327 243 H CB -0.407 29.297 29.762 -0.095 0.000 1.383 243 H HN 0.222 nan 8.280 nan 0.000 0.508 244 L N 0.705 121.926 121.223 -0.002 0.000 2.046 244 L HA -0.147 4.193 4.340 0.001 0.000 0.208 244 L C 2.690 179.581 176.870 0.035 0.000 1.077 244 L CA 1.489 56.295 54.840 -0.056 0.000 0.747 244 L CB -0.378 41.536 42.059 -0.242 0.000 0.896 244 L HN 0.318 nan 8.230 nan 0.000 0.432 245 E N 1.069 121.322 120.200 0.088 0.000 2.077 245 E HA -0.305 4.046 4.350 0.001 0.000 0.193 245 E C 2.265 178.888 176.600 0.038 0.000 0.989 245 E CA 1.502 57.953 56.400 0.086 0.000 0.800 245 E CB -0.031 29.715 29.700 0.078 0.000 0.746 245 E HN 0.221 nan 8.360 nan 0.000 0.452 246 R N 0.922 121.443 120.500 0.036 0.000 2.096 246 R HA -0.036 4.304 4.340 0.001 0.000 0.235 246 R C 2.335 178.648 176.300 0.021 0.000 1.127 246 R CA 1.353 57.471 56.100 0.031 0.000 0.968 246 R CB -0.732 29.599 30.300 0.051 0.000 0.861 246 R HN 0.318 nan 8.270 nan 0.000 0.440 247 L N 0.299 121.532 121.223 0.017 0.000 2.599 247 L HA 0.140 4.480 4.340 0.001 0.000 0.230 247 L C 0.192 177.062 176.870 0.001 0.000 1.141 247 L CA 0.447 55.289 54.840 0.003 0.000 0.877 247 L CB -0.062 41.989 42.059 -0.013 0.000 1.009 247 L HN 0.163 nan 8.230 nan 0.000 0.447 248 S N -0.630 115.072 115.700 0.004 0.000 3.587 248 S HA -0.121 4.349 4.470 0.001 0.000 0.337 248 S C 0.290 174.873 174.600 -0.029 0.000 1.119 248 S CA 0.165 58.365 58.200 -0.000 0.000 0.976 248 S CB -1.682 61.524 63.200 0.009 0.000 0.922 248 S HN 0.171 nan 8.310 nan 0.000 0.503 249 V N 3.376 123.250 119.914 -0.068 0.000 2.372 249 V HA 0.251 4.372 4.120 0.001 0.000 0.261 249 V C -1.319 174.699 176.094 -0.127 0.000 1.055 249 V CA -1.510 60.649 62.300 -0.236 0.000 0.930 249 V CB 0.392 32.021 31.823 -0.325 0.000 1.031 249 V HN 0.208 nan 8.190 nan 0.000 0.479 250 P HA 0.178 nan 4.420 nan 0.000 0.270 250 P C -1.168 176.099 177.300 -0.054 0.000 1.242 250 P CA 0.270 63.309 63.100 -0.102 0.000 0.768 250 P CB 0.209 31.869 31.700 -0.068 0.000 0.820 251 Y N 0.189 120.410 120.300 -0.131 0.000 2.669 251 Y HA 0.830 5.380 4.550 0.000 0.000 0.335 251 Y C -0.916 174.947 175.900 -0.061 0.000 1.116 251 Y CA -1.770 56.269 58.100 -0.101 0.000 1.081 251 Y CB 1.281 39.673 38.460 -0.113 0.000 1.297 251 Y HN 0.194 nan 8.280 nan 0.000 0.484 252 E N 0.964 121.209 120.200 0.075 0.000 2.256 252 E HA 0.458 4.808 4.350 0.001 0.000 0.268 252 E C -2.160 174.532 176.600 0.153 0.000 0.877 252 E CA -0.730 55.662 56.400 -0.014 0.000 0.757 252 E CB 1.841 31.533 29.700 -0.014 0.000 1.183 252 E HN 0.737 nan 8.360 nan 0.000 0.418 253 L N 3.950 125.241 121.223 0.113 0.000 2.278 253 L HA 0.312 4.653 4.340 0.001 0.000 0.287 253 L C -0.447 176.465 176.870 0.070 0.000 1.072 253 L CA 0.083 55.015 54.840 0.153 0.000 0.819 253 L CB 0.600 42.746 42.059 0.145 0.000 1.176 253 L HN 0.469 nan 8.230 nan 0.000 0.435 254 E N 7.069 127.308 120.200 0.066 0.000 2.283 254 E HA 0.231 4.582 4.350 0.001 0.000 0.278 254 E C -1.689 174.925 176.600 0.024 0.000 1.027 254 E CA -1.860 54.560 56.400 0.033 0.000 0.843 254 E CB 1.162 30.879 29.700 0.029 0.000 1.062 254 E HN 0.445 nan 8.360 nan 0.000 0.401 255 P HA -0.134 nan 4.420 nan 0.000 0.215 255 P C -0.179 177.120 177.300 -0.002 0.000 1.157 255 P CA 1.146 64.253 63.100 0.013 0.000 0.874 255 P CB 0.477 32.192 31.700 0.024 0.000 0.790 256 A N -0.263 122.561 122.820 0.007 0.000 2.530 256 A HA 0.506 4.826 4.320 0.001 0.000 0.279 256 A C -0.991 176.602 177.584 0.015 0.000 1.109 256 A CA -0.475 51.560 52.037 -0.003 0.000 0.763 256 A CB 0.380 19.395 19.000 0.025 0.000 1.257 256 A HN 0.111 nan 8.150 nan 0.000 0.424 257 L N 4.145 125.372 121.223 0.006 0.000 2.417 257 L HA 0.318 4.658 4.340 0.001 0.000 0.258 257 L C -0.612 176.257 176.870 -0.001 0.000 1.088 257 L CA -0.526 54.321 54.840 0.012 0.000 0.975 257 L CB 0.715 42.783 42.059 0.015 0.000 1.341 257 L HN 0.517 nan 8.230 nan 0.000 0.431 258 V N 3.248 123.175 119.914 0.022 0.000 2.572 258 V HA 0.133 4.254 4.120 0.001 0.000 0.291 258 V C 0.552 176.653 176.094 0.012 0.000 1.039 258 V CA -0.060 62.258 62.300 0.030 0.000 1.055 258 V CB 1.306 33.161 31.823 0.054 0.000 0.969 258 V HN 0.609 nan 8.190 nan 0.000 0.482 259 R N 3.024 123.526 120.500 0.003 0.000 2.782 259 R HA 0.591 4.932 4.340 0.001 0.000 0.258 259 R C 1.197 177.538 176.300 0.068 0.000 1.055 259 R CA 0.138 56.240 56.100 0.003 0.000 1.065 259 R CB 1.212 31.427 30.300 -0.142 0.000 1.172 259 R HN 0.701 nan 8.270 nan 0.000 0.510 260 G N 0.729 109.573 108.800 0.073 0.000 2.956 260 G HA2 0.177 4.137 3.960 0.001 0.000 0.207 260 G HA3 0.177 4.137 3.960 0.001 0.000 0.207 260 G C -0.583 174.299 174.900 -0.030 0.000 1.162 260 G CA 0.369 45.484 45.100 0.026 0.000 0.796 260 G HN 0.220 nan 8.290 nan 0.000 0.527 261 L N -1.071 120.124 121.223 -0.046 0.000 2.371 261 L HA 0.497 4.837 4.340 0.001 0.000 0.262 261 L C -0.065 176.624 176.870 -0.302 0.000 1.006 261 L CA -0.639 53.991 54.840 -0.350 0.000 0.818 261 L CB 2.175 43.680 42.059 -0.923 0.000 1.354 261 L HN -0.214 nan 8.230 nan 0.000 0.415 262 D N -0.338 119.871 120.400 -0.318 0.000 2.348 262 D HA -0.068 4.572 4.640 0.001 0.000 0.211 262 D C 1.512 177.772 176.300 -0.066 0.000 0.998 262 D CA 0.857 54.780 54.000 -0.128 0.000 0.873 262 D CB 0.164 40.930 40.800 -0.056 0.000 0.925 262 D HN 0.629 nan 8.370 nan 0.000 0.524 263 Y N -0.859 119.385 120.300 -0.093 0.000 2.583 263 Y HA 0.091 4.641 4.550 0.001 0.000 0.293 263 Y C 0.105 176.002 175.900 -0.004 0.000 1.157 263 Y CA -0.824 57.227 58.100 -0.082 0.000 1.315 263 Y CB -1.612 36.754 38.460 -0.156 0.000 1.021 263 Y HN -0.208 nan 8.280 nan 0.000 0.536 264 Y N 1.031 121.548 120.300 0.361 0.000 2.511 264 Y HA 0.357 4.907 4.550 0.000 0.000 0.332 264 Y C 0.179 176.186 175.900 0.178 0.000 1.177 264 Y CA -0.851 57.435 58.100 0.310 0.000 1.422 264 Y CB 0.825 39.390 38.460 0.174 0.000 1.271 264 Y HN -0.084 nan 8.280 nan 0.000 0.550 265 V N 5.258 125.382 119.914 0.351 0.000 2.777 265 V HA 0.573 4.693 4.120 0.001 0.000 0.306 265 V C -0.223 175.936 176.094 0.108 0.000 1.112 265 V CA -0.789 61.613 62.300 0.171 0.000 0.917 265 V CB 1.313 33.199 31.823 0.106 0.000 1.018 265 V HN 0.988 nan 8.190 nan 0.000 0.426 266 R N 2.514 123.048 120.500 0.057 0.000 4.066 266 R HA -0.166 4.174 4.340 0.001 0.000 0.288 266 R C 0.155 176.495 176.300 0.068 0.000 0.241 266 R CA 1.211 57.322 56.100 0.019 0.000 0.984 266 R CB -1.856 28.381 30.300 -0.106 0.000 1.043 266 R HN 0.774 nan 8.270 nan 0.000 0.539 267 T N 1.425 116.043 114.554 0.107 0.000 2.933 267 T HA 0.362 4.713 4.350 0.001 0.000 0.306 267 T C 0.015 174.803 174.700 0.145 0.000 1.045 267 T CA 0.706 62.904 62.100 0.164 0.000 1.143 267 T CB 0.747 69.761 68.868 0.243 0.000 1.003 267 T HN 0.595 nan 8.240 nan 0.000 0.540 268 A N 3.041 125.937 122.820 0.126 0.000 2.459 268 A HA 0.760 5.081 4.320 0.001 0.000 0.296 268 A C -0.904 176.763 177.584 0.139 0.000 1.039 268 A CA -1.062 50.951 52.037 -0.041 0.000 0.698 268 A CB 1.041 19.946 19.000 -0.159 0.000 1.261 268 A HN 0.789 nan 8.150 nan 0.000 0.405 269 F N -0.485 119.442 119.950 -0.039 0.000 2.645 269 F HA 0.923 5.451 4.527 0.001 0.000 0.310 269 F C -0.587 175.244 175.800 0.051 0.000 1.102 269 F CA -0.831 57.176 58.000 0.012 0.000 0.952 269 F CB 1.377 40.383 39.000 0.009 0.000 1.326 269 F HN 0.539 nan 8.300 nan 0.000 0.456 270 E N 0.769 121.123 120.200 0.257 0.000 2.372 270 E HA 0.584 4.934 4.350 0.001 0.000 0.279 270 E C -1.944 174.828 176.600 0.288 0.000 0.946 270 E CA -1.110 55.403 56.400 0.189 0.000 0.769 270 E CB 3.299 33.127 29.700 0.214 0.000 1.230 270 E HN 0.526 nan 8.360 nan 0.000 0.442 271 V N 2.933 122.956 119.914 0.182 0.000 2.409 271 V HA 0.358 4.479 4.120 0.001 0.000 0.291 271 V C -0.367 175.794 176.094 0.112 0.000 1.020 271 V CA -0.639 61.782 62.300 0.202 0.000 0.848 271 V CB 1.151 33.060 31.823 0.144 0.000 0.990 271 V HN 0.612 nan 8.190 nan 0.000 0.430 272 H N 3.216 122.345 119.070 0.098 0.000 2.651 272 H HA 0.563 5.119 4.556 0.001 0.000 0.353 272 H C -1.135 174.271 175.328 0.130 0.000 1.178 272 H CA -0.687 55.420 56.048 0.098 0.000 1.224 272 H CB 2.624 32.428 29.762 0.069 0.000 1.702 272 H HN 0.618 nan 8.280 nan 0.000 0.550 273 H N 1.589 120.748 119.070 0.148 0.000 3.172 273 H HA 0.079 4.636 4.556 0.001 0.000 0.322 273 H C -0.862 174.517 175.328 0.086 0.000 1.003 273 H CA -0.494 55.607 56.048 0.088 0.000 1.466 273 H CB 0.886 30.675 29.762 0.044 0.000 1.673 273 H HN 0.723 nan 8.280 nan 0.000 0.512 274 E N 3.611 123.772 120.200 -0.064 0.000 2.705 274 E HA 0.079 4.429 4.350 0.001 0.000 0.272 274 E C -0.113 176.500 176.600 0.022 0.000 1.528 274 E CA 0.142 56.542 56.400 0.000 0.000 1.750 274 E CB 0.077 29.757 29.700 -0.033 0.000 1.439 274 E HN 0.577 nan 8.360 nan 0.000 0.449 275 E N 0.296 120.598 120.200 0.171 0.000 3.586 275 E HA 0.223 4.573 4.350 0.001 0.000 0.175 275 E C 0.154 176.874 176.600 0.200 0.000 0.980 275 E CA 0.116 56.631 56.400 0.192 0.000 1.391 275 E CB 0.392 30.239 29.700 0.246 0.000 1.101 275 E HN 0.276 nan 8.360 nan 0.000 0.440 276 I N -0.538 120.128 120.570 0.160 0.000 4.439 276 I HA 0.263 4.434 4.170 0.001 0.000 0.331 276 I C 1.029 177.195 176.117 0.081 0.000 1.345 276 I CA 0.110 61.476 61.300 0.110 0.000 1.193 276 I CB 1.134 39.197 38.000 0.106 0.000 1.221 276 I HN 0.272 nan 8.210 nan 0.000 0.429 277 G N 1.839 110.686 108.800 0.078 0.000 2.527 277 G HA2 -0.115 3.846 3.960 0.001 0.000 0.227 277 G HA3 -0.115 3.846 3.960 0.001 0.000 0.227 277 G C 0.051 174.987 174.900 0.060 0.000 1.291 277 G CA -0.355 44.779 45.100 0.058 0.000 0.904 277 G HN 0.500 nan 8.290 nan 0.000 0.577 278 A N -0.962 121.886 122.820 0.047 0.000 2.448 278 A HA 0.578 4.898 4.320 0.001 0.000 0.239 278 A C 0.998 178.613 177.584 0.052 0.000 1.080 278 A CA 1.840 53.906 52.037 0.048 0.000 0.779 278 A CB -0.066 18.953 19.000 0.032 0.000 1.026 278 A HN 2.093 nan 8.150 nan 0.000 0.499 279 Q N -0.496 119.338 119.800 0.056 0.000 2.440 279 Q HA -0.129 4.211 4.340 0.001 0.000 0.325 279 Q C 0.737 176.770 176.000 0.056 0.000 1.454 279 Q CA 1.072 56.900 55.803 0.041 0.000 0.828 279 Q CB -2.279 26.471 28.738 0.020 0.000 1.104 279 Q HN 1.185 nan 8.270 nan 0.000 0.358 280 S N -2.026 113.734 115.700 0.100 0.000 2.548 280 S HA 0.461 4.931 4.470 0.001 0.000 0.215 280 S C 0.948 175.554 174.600 0.009 0.000 0.976 280 S CA -0.025 58.257 58.200 0.136 0.000 0.908 280 S CB 0.629 63.975 63.200 0.243 0.000 0.781 280 S HN 0.705 nan 8.310 nan 0.000 0.519 281 A N 1.950 124.653 122.820 -0.195 0.000 2.438 281 A HA 0.539 4.860 4.320 0.001 0.000 0.280 281 A C 1.036 178.511 177.584 -0.181 0.000 1.160 281 A CA -0.393 51.342 52.037 -0.503 0.000 0.821 281 A CB -0.284 18.452 19.000 -0.441 0.000 1.101 281 A HN 0.529 nan 8.150 nan 0.000 0.515 282 L N 2.599 123.748 121.223 -0.124 0.000 2.179 282 L HA 0.218 4.558 4.340 0.001 0.000 0.208 282 L C 1.388 178.293 176.870 0.057 0.000 1.096 282 L CA 1.061 55.884 54.840 -0.028 0.000 0.779 282 L CB -0.283 41.743 42.059 -0.056 0.000 0.922 282 L HN 0.838 nan 8.230 nan 0.000 0.443 283 G N -1.792 107.030 108.800 0.037 0.000 2.451 283 G HA2 0.523 4.483 3.960 0.001 0.000 0.292 283 G HA3 0.523 4.483 3.960 0.001 0.000 0.292 283 G C -1.389 173.565 174.900 0.089 0.000 1.427 283 G CA 0.013 45.209 45.100 0.160 0.000 0.792 283 G HN 0.157 nan 8.290 nan 0.000 0.498 284 G N -2.198 106.674 108.800 0.120 0.000 2.554 284 G HA2 1.016 4.976 3.960 0.001 0.000 0.306 284 G HA3 1.016 4.976 3.960 0.001 0.000 0.306 284 G C -0.233 174.559 174.900 -0.179 0.000 1.320 284 G CA 0.627 45.683 45.100 -0.073 0.000 0.800 284 G HN 2.214 nan 8.290 nan 0.000 0.481 285 G N -2.477 105.901 108.800 -0.703 0.000 2.325 285 G HA2 0.866 4.826 3.960 0.001 0.000 0.295 285 G HA3 0.866 4.826 3.960 0.001 0.000 0.295 285 G C -0.266 174.174 174.900 -0.766 0.000 1.274 285 G CA 0.843 45.648 45.100 -0.492 0.000 0.857 285 G HN 2.362 nan 8.290 nan 0.000 0.499 286 G N -1.308 107.494 108.800 0.003 0.000 2.315 286 G HA2 0.585 4.545 3.960 0.001 0.000 0.294 286 G HA3 0.585 4.545 3.960 0.001 0.000 0.294 286 G C -1.204 174.028 174.900 0.552 0.000 1.300 286 G CA -0.212 45.019 45.100 0.217 0.000 0.843 286 G HN 0.702 nan 8.290 nan 0.000 0.527 287 R N -0.889 119.851 120.500 0.401 0.000 2.528 287 R HA 0.638 4.979 4.340 0.001 0.000 0.271 287 R C -0.589 175.897 176.300 0.310 0.000 1.056 287 R CA -0.558 55.653 56.100 0.185 0.000 1.117 287 R CB 0.532 30.873 30.300 0.068 0.000 1.085 287 R HN 0.941 nan 8.270 nan 0.000 0.530 288 Y N -0.522 119.854 120.300 0.127 0.000 2.721 288 Y HA 0.353 4.903 4.550 0.001 0.000 0.284 288 Y C -1.510 174.359 175.900 -0.051 0.000 0.976 288 Y CA -1.465 56.660 58.100 0.042 0.000 1.142 288 Y CB -0.413 37.929 38.460 -0.196 0.000 1.168 288 Y HN 0.410 nan 8.280 nan 0.000 0.615 289 D N 1.244 121.595 120.400 -0.082 0.000 2.399 289 D HA 0.447 5.087 4.640 0.001 0.000 0.241 289 D C 1.371 177.675 176.300 0.006 0.000 1.133 289 D CA 1.779 55.730 54.000 -0.080 0.000 0.890 289 D CB 1.345 42.093 40.800 -0.087 0.000 1.201 289 D HN 0.811 nan 8.370 nan 0.000 0.432 290 G N 0.491 109.289 108.800 -0.003 0.000 2.258 290 G HA2 -0.313 3.647 3.960 0.001 0.000 0.233 290 G HA3 -0.313 3.647 3.960 0.001 0.000 0.233 290 G C 0.975 175.890 174.900 0.024 0.000 1.006 290 G CA 0.334 45.444 45.100 0.016 0.000 0.620 290 G HN 0.485 nan 8.290 nan 0.000 0.511 291 L N 2.563 123.808 121.223 0.038 0.000 2.046 291 L HA 0.060 4.400 4.340 0.001 0.000 0.208 291 L C 2.982 179.832 176.870 -0.034 0.000 1.077 291 L CA 3.445 58.285 54.840 -0.000 0.000 0.747 291 L CB -0.874 41.131 42.059 -0.090 0.000 0.896 291 L HN 0.801 nan 8.230 nan 0.000 0.432 292 S N -1.124 114.552 115.700 -0.039 0.000 2.370 292 S HA -0.252 4.218 4.470 0.001 0.000 0.226 292 S C 1.806 176.387 174.600 -0.032 0.000 1.033 292 S CA 1.431 59.601 58.200 -0.049 0.000 1.011 292 S CB -0.847 62.316 63.200 -0.062 0.000 0.852 292 S HN 0.653 nan 8.310 nan 0.000 0.457 293 E N 1.392 121.579 120.200 -0.021 0.000 2.106 293 E HA 0.016 4.366 4.350 0.001 0.000 0.192 293 E C 2.032 178.624 176.600 -0.013 0.000 0.984 293 E CA 1.133 57.524 56.400 -0.014 0.000 0.806 293 E CB -0.416 29.280 29.700 -0.006 0.000 0.750 293 E HN 0.505 nan 8.360 nan 0.000 0.458 294 L N 0.462 121.680 121.223 -0.009 0.000 2.191 294 L HA -0.148 4.192 4.340 0.001 0.000 0.212 294 L C 1.833 178.688 176.870 -0.024 0.000 1.103 294 L CA 0.749 55.585 54.840 -0.007 0.000 0.769 294 L CB -0.177 41.887 42.059 0.009 0.000 0.908 294 L HN 0.182 nan 8.230 nan 0.000 0.438 295 L N -0.400 120.800 121.223 -0.038 0.000 2.629 295 L HA 0.227 4.567 4.340 0.001 0.000 0.230 295 L C 1.238 178.079 176.870 -0.048 0.000 1.151 295 L CA 0.301 55.108 54.840 -0.055 0.000 0.924 295 L CB -0.343 41.671 42.059 -0.075 0.000 1.137 295 L HN 0.404 nan 8.230 nan 0.000 0.457 296 G N 0.214 108.993 108.800 -0.034 0.000 2.137 296 G HA2 -0.197 3.763 3.960 0.001 0.000 0.237 296 G HA3 -0.197 3.763 3.960 0.001 0.000 0.237 296 G C 0.347 175.231 174.900 -0.027 0.000 1.002 296 G CA -0.053 45.029 45.100 -0.030 0.000 0.702 296 G HN 0.540 nan 8.290 nan 0.000 0.515 297 G N -0.791 107.995 108.800 -0.024 0.000 2.820 297 G HA2 0.827 4.787 3.960 0.001 0.000 0.291 297 G HA3 0.827 4.787 3.960 0.001 0.000 0.291 297 G C -2.227 172.668 174.900 -0.009 0.000 1.323 297 G CA -1.016 44.075 45.100 -0.015 0.000 1.055 297 G HN 0.197 nan 8.290 nan 0.000 0.520 298 P HA 0.256 nan 4.420 nan 0.000 0.277 298 P C -0.320 176.977 177.300 -0.005 0.000 1.276 298 P CA -0.621 62.481 63.100 0.002 0.000 0.788 298 P CB 0.496 32.204 31.700 0.014 0.000 1.114 299 R N 0.279 120.774 120.500 -0.007 0.000 2.316 299 R HA 0.351 4.692 4.340 0.001 0.000 0.314 299 R C -1.411 174.869 176.300 -0.034 0.000 1.069 299 R CA -0.054 56.034 56.100 -0.020 0.000 0.959 299 R CB -0.259 30.031 30.300 -0.016 0.000 0.987 299 R HN 0.187 nan 8.270 nan 0.000 0.446 300 V N 7.872 127.741 119.914 -0.074 0.000 2.462 300 V HA 0.305 4.426 4.120 0.001 0.000 0.288 300 V C -2.243 173.742 176.094 -0.181 0.000 1.020 300 V CA -1.897 60.318 62.300 -0.141 0.000 0.857 300 V CB 1.703 33.375 31.823 -0.252 0.000 1.013 300 V HN 0.839 nan 8.190 nan 0.000 0.431 301 P HA 0.574 nan 4.420 nan 0.000 0.274 301 P C 0.084 177.191 177.300 -0.322 0.000 1.237 301 P CA 0.090 63.068 63.100 -0.205 0.000 0.793 301 P CB 1.011 32.635 31.700 -0.126 0.000 0.977 302 G N -0.633 107.854 108.800 -0.522 0.000 2.667 302 G HA2 0.557 4.517 3.960 0.001 0.000 0.294 302 G HA3 0.557 4.517 3.960 0.001 0.000 0.294 302 G C -1.718 172.594 174.900 -0.980 0.000 1.467 302 G CA -0.550 44.113 45.100 -0.728 0.000 0.852 302 G HN 0.389 nan 8.290 nan 0.000 0.521 303 V N -0.936 118.728 119.914 -0.417 0.000 3.078 303 V HA 1.076 5.196 4.120 0.001 0.000 0.311 303 V C 0.523 176.778 176.094 0.268 0.000 1.138 303 V CA -0.147 62.148 62.300 -0.008 0.000 1.007 303 V CB 1.323 33.255 31.823 0.182 0.000 1.045 303 V HN 2.109 nan 8.190 nan 0.000 0.432 304 G N 0.629 109.742 108.800 0.522 0.000 2.340 304 G HA2 0.773 4.733 3.960 0.001 0.000 0.299 304 G HA3 0.773 4.733 3.960 0.001 0.000 0.299 304 G C -1.725 173.565 174.900 0.650 0.000 1.291 304 G CA 0.057 45.451 45.100 0.489 0.000 0.841 304 G HN 1.774 nan 8.290 nan 0.000 0.500 305 F N -2.361 117.869 119.950 0.466 0.000 2.789 305 F HA 0.965 5.492 4.527 0.000 0.000 0.319 305 F C -0.456 175.513 175.800 0.283 0.000 1.168 305 F CA -1.129 57.072 58.000 0.336 0.000 0.934 305 F CB 1.393 40.678 39.000 0.476 0.000 1.375 305 F HN 1.562 nan 8.300 nan 0.000 0.480 306 A N 1.043 124.170 122.820 0.512 0.000 2.589 306 A HA 0.782 5.102 4.320 0.001 0.000 0.296 306 A C -2.062 175.788 177.584 0.444 0.000 1.062 306 A CA -0.528 51.683 52.037 0.290 0.000 0.686 306 A CB 1.225 20.303 19.000 0.129 0.000 1.282 306 A HN 1.619 nan 8.150 nan 0.000 0.404 307 F N 0.036 120.156 119.950 0.284 0.000 2.578 307 F HA 0.792 5.319 4.527 0.000 0.000 0.311 307 F C 0.272 176.148 175.800 0.127 0.000 1.094 307 F CA -0.960 57.153 58.000 0.188 0.000 0.923 307 F CB 1.291 40.399 39.000 0.180 0.000 1.230 307 F HN 0.838 nan 8.300 nan 0.000 0.450 308 G N 2.078 111.079 108.800 0.335 0.000 2.360 308 G HA2 0.400 4.360 3.960 0.001 0.000 0.279 308 G HA3 0.400 4.360 3.960 0.001 0.000 0.279 308 G C 0.467 175.507 174.900 0.233 0.000 1.189 308 G CA -0.468 44.760 45.100 0.214 0.000 0.941 308 G HN 0.764 nan 8.290 nan 0.000 0.445 309 V N 2.924 122.902 119.914 0.107 0.000 2.332 309 V HA -0.189 3.931 4.120 0.001 0.000 0.248 309 V C 2.677 178.669 176.094 -0.170 0.000 1.055 309 V CA 2.279 64.561 62.300 -0.030 0.000 1.038 309 V CB -0.489 31.171 31.823 -0.272 0.000 0.651 309 V HN 0.709 nan 8.190 nan 0.000 0.450 310 E N -0.103 120.006 120.200 -0.152 0.000 2.051 310 E HA -0.164 4.187 4.350 0.001 0.000 0.192 310 E C 2.456 179.062 176.600 0.011 0.000 0.991 310 E CA 0.969 57.328 56.400 -0.069 0.000 0.799 310 E CB -0.298 29.317 29.700 -0.141 0.000 0.748 310 E HN 0.378 nan 8.360 nan 0.000 0.449 311 R N 0.293 120.805 120.500 0.021 0.000 2.083 311 R HA -0.093 4.247 4.340 0.001 0.000 0.237 311 R C 2.375 178.662 176.300 -0.022 0.000 1.137 311 R CA 1.136 57.249 56.100 0.023 0.000 0.951 311 R CB -1.046 29.270 30.300 0.026 0.000 0.851 311 R HN 0.171 nan 8.270 nan 0.000 0.434 312 V N 1.378 121.279 119.914 -0.021 0.000 2.407 312 V HA -0.233 3.887 4.120 0.001 0.000 0.248 312 V C 2.575 178.609 176.094 -0.101 0.000 1.055 312 V CA 1.813 64.054 62.300 -0.099 0.000 1.049 312 V CB -0.866 30.900 31.823 -0.094 0.000 0.662 312 V HN 0.344 nan 8.190 nan 0.000 0.455 313 A N -0.292 122.497 122.820 -0.052 0.000 1.902 313 A HA -0.149 4.172 4.320 0.001 0.000 0.217 313 A C 2.231 179.812 177.584 -0.005 0.000 1.181 313 A CA 1.715 53.743 52.037 -0.014 0.000 0.623 313 A CB -0.497 18.530 19.000 0.044 0.000 0.818 313 A HN 0.492 nan 8.150 nan 0.000 0.443 314 L N -0.844 120.378 121.223 -0.001 0.000 2.046 314 L HA -0.218 4.122 4.340 0.001 0.000 0.208 314 L C 3.143 179.976 176.870 -0.061 0.000 1.077 314 L CA 1.125 55.967 54.840 0.003 0.000 0.747 314 L CB -0.589 41.486 42.059 0.027 0.000 0.896 314 L HN 0.461 nan 8.230 nan 0.000 0.432 315 A N 0.061 122.777 122.820 -0.173 0.000 1.908 315 A HA -0.197 4.123 4.320 0.001 0.000 0.218 315 A C 2.248 179.689 177.584 -0.238 0.000 1.181 315 A CA 1.511 53.285 52.037 -0.438 0.000 0.627 315 A CB -0.724 17.909 19.000 -0.613 0.000 0.818 315 A HN 0.353 nan 8.150 nan 0.000 0.445 316 L N -0.908 120.243 121.223 -0.119 0.000 2.017 316 L HA -0.223 4.118 4.340 0.001 0.000 0.208 316 L C 2.711 179.679 176.870 0.163 0.000 1.073 316 L CA 1.928 56.782 54.840 0.023 0.000 0.745 316 L CB -0.451 41.578 42.059 -0.050 0.000 0.894 316 L HN 0.620 nan 8.230 nan 0.000 0.432 317 E N 0.222 120.469 120.200 0.078 0.000 2.051 317 E HA -0.270 4.081 4.350 0.001 0.000 0.192 317 E C 2.196 178.840 176.600 0.074 0.000 0.991 317 E CA 1.260 57.707 56.400 0.079 0.000 0.799 317 E CB -0.036 29.695 29.700 0.052 0.000 0.748 317 E HN 0.461 nan 8.360 nan 0.000 0.449 318 A N 1.161 124.019 122.820 0.063 0.000 1.940 318 A HA -0.198 4.122 4.320 0.001 0.000 0.219 318 A C 1.730 179.381 177.584 0.112 0.000 1.176 318 A CA 1.580 53.671 52.037 0.089 0.000 0.631 318 A CB -0.423 18.653 19.000 0.127 0.000 0.814 318 A HN 0.335 nan 8.150 nan 0.000 0.446 319 E N -1.175 119.116 120.200 0.152 0.000 2.403 319 E HA 0.263 4.614 4.350 0.001 0.000 0.187 319 E C 0.973 177.553 176.600 -0.032 0.000 1.073 319 E CA 0.218 56.711 56.400 0.155 0.000 0.888 319 E CB -0.304 29.599 29.700 0.338 0.000 1.035 319 E HN 0.750 nan 8.360 nan 0.000 0.471 320 G N 1.444 110.232 108.800 -0.020 0.000 2.153 320 G HA2 -0.300 3.660 3.960 0.001 0.000 0.252 320 G HA3 -0.300 3.660 3.960 0.001 0.000 0.252 320 G C -0.068 174.715 174.900 -0.194 0.000 0.994 320 G CA -0.192 44.837 45.100 -0.118 0.000 0.698 320 G HN 0.243 nan 8.290 nan 0.000 0.521 321 F N 1.596 121.540 119.950 -0.009 0.000 2.444 321 F HA 0.533 5.060 4.527 0.001 0.000 0.360 321 F C 1.312 177.107 175.800 -0.009 0.000 1.106 321 F CA 0.615 58.608 58.000 -0.012 0.000 1.170 321 F CB 1.135 40.122 39.000 -0.022 0.000 1.113 321 F HN 0.222 nan 8.300 nan 0.000 0.521 322 G N 2.982 111.856 108.800 0.123 0.000 2.705 322 G HA2 0.674 4.634 3.960 0.001 0.000 0.299 322 G HA3 0.674 4.634 3.960 0.001 0.000 0.299 322 G C -1.786 173.164 174.900 0.083 0.000 1.315 322 G CA -0.644 44.504 45.100 0.079 0.000 1.045 322 G HN 0.340 nan 8.290 nan 0.000 0.517 323 L N 1.364 122.619 121.223 0.052 0.000 2.362 323 L HA 0.586 4.926 4.340 0.001 0.000 0.271 323 L C -1.648 175.240 176.870 0.030 0.000 1.002 323 L CA -1.910 52.956 54.840 0.044 0.000 0.818 323 L CB 1.973 44.053 42.059 0.035 0.000 1.298 323 L HN 0.414 nan 8.230 nan 0.000 0.420 324 P HA 0.233 nan 4.420 nan 0.000 0.323 324 P C -0.949 176.361 177.300 0.016 0.000 1.309 324 P CA -0.486 62.626 63.100 0.019 0.000 0.739 324 P CB 0.579 32.291 31.700 0.020 0.000 1.454 325 E N 0.321 120.528 120.200 0.012 0.000 2.259 325 E HA 0.153 4.503 4.350 0.001 0.000 0.281 325 E C -0.029 176.578 176.600 0.013 0.000 1.037 325 E CA -0.270 56.136 56.400 0.010 0.000 0.854 325 E CB 0.089 29.792 29.700 0.005 0.000 1.051 325 E HN 0.329 nan 8.360 nan 0.000 0.409 326 E N 2.612 122.821 120.200 0.014 0.000 2.480 326 E HA -0.065 4.285 4.350 0.001 0.000 0.258 326 E C -0.432 176.177 176.600 0.015 0.000 0.984 326 E CA 0.235 56.646 56.400 0.018 0.000 0.930 326 E CB 0.357 30.069 29.700 0.021 0.000 0.936 326 E HN 0.133 nan 8.360 nan 0.000 0.466 327 K N 2.529 122.941 120.400 0.018 0.000 2.382 327 K HA 0.235 4.555 4.320 0.001 0.000 0.275 327 K C 0.336 176.946 176.600 0.018 0.000 1.009 327 K CA 0.290 56.589 56.287 0.019 0.000 0.970 327 K CB 0.840 33.355 32.500 0.025 0.000 0.934 327 K HN 0.671 nan 8.250 nan 0.000 0.479 328 G N 2.608 111.417 108.800 0.015 0.000 2.557 328 G HA2 0.377 4.337 3.960 0.001 0.000 0.302 328 G HA3 0.377 4.337 3.960 0.001 0.000 0.302 328 G C -2.484 172.437 174.900 0.035 0.000 1.311 328 G CA -1.133 43.974 45.100 0.012 0.000 1.030 328 G HN 0.380 nan 8.290 nan 0.000 0.509 329 P HA 0.176 nan 4.420 nan 0.000 0.274 329 P C -0.305 177.060 177.300 0.108 0.000 1.231 329 P CA -0.272 62.877 63.100 0.082 0.000 0.790 329 P CB 1.551 33.319 31.700 0.112 0.000 0.951 330 D N 0.501 120.972 120.400 0.119 0.000 2.144 330 D HA -0.040 4.601 4.640 0.001 0.000 0.200 330 D C 0.638 177.073 176.300 0.224 0.000 0.978 330 D CA 1.579 55.677 54.000 0.162 0.000 0.833 330 D CB -0.001 40.875 40.800 0.126 0.000 0.961 330 D HN 0.207 nan 8.370 nan 0.000 0.470 331 L N -0.646 120.684 121.223 0.178 0.000 2.431 331 L HA 0.380 4.721 4.340 0.001 0.000 0.266 331 L C -1.950 175.040 176.870 0.201 0.000 0.978 331 L CA -1.076 53.877 54.840 0.189 0.000 0.822 331 L CB 2.303 44.428 42.059 0.110 0.000 1.310 331 L HN -0.159 nan 8.230 nan 0.000 0.409 332 Y N 5.241 125.568 120.300 0.044 0.000 2.363 332 Y HA 0.610 5.160 4.550 0.001 0.000 0.325 332 Y C -1.402 174.488 175.900 -0.017 0.000 0.984 332 Y CA -0.773 57.334 58.100 0.012 0.000 1.248 332 Y CB 1.086 39.537 38.460 -0.015 0.000 1.116 332 Y HN 0.572 nan 8.280 nan 0.000 0.470 333 L N 7.808 128.822 121.223 -0.349 0.000 2.319 333 L HA 0.377 4.718 4.340 0.001 0.000 0.280 333 L C -0.076 176.525 176.870 -0.449 0.000 1.099 333 L CA -0.334 54.333 54.840 -0.288 0.000 0.828 333 L CB 0.981 42.972 42.059 -0.113 0.000 1.150 333 L HN 0.667 nan 8.230 nan 0.000 0.442 334 I N 5.476 125.868 120.570 -0.296 0.000 2.382 334 I HA 0.472 4.642 4.170 0.001 0.000 0.286 334 I C -2.534 173.571 176.117 -0.019 0.000 1.002 334 I CA -2.300 58.901 61.300 -0.165 0.000 1.135 334 I CB 2.169 40.126 38.000 -0.072 0.000 1.288 334 I HN 0.328 nan 8.210 nan 0.000 0.448 335 P HA 0.268 nan 4.420 nan 0.000 0.280 335 P C 0.141 177.480 177.300 0.065 0.000 1.244 335 P CA -0.306 62.808 63.100 0.024 0.000 0.784 335 P CB 1.200 32.900 31.700 -0.001 0.000 0.913 336 L N 0.967 122.235 121.223 0.075 0.000 2.513 336 L HA 0.172 4.512 4.340 0.001 0.000 0.222 336 L C 1.096 177.992 176.870 0.043 0.000 1.096 336 L CA 0.553 55.438 54.840 0.075 0.000 0.857 336 L CB -0.144 41.965 42.059 0.083 0.000 1.026 336 L HN 0.451 nan 8.230 nan 0.000 0.469 337 T N -5.397 109.175 114.554 0.030 0.000 2.901 337 T HA 0.266 4.617 4.350 0.001 0.000 0.293 337 T C 0.477 175.183 174.700 0.010 0.000 1.084 337 T CA -0.610 61.501 62.100 0.019 0.000 1.008 337 T CB 2.594 71.471 68.868 0.015 0.000 1.170 337 T HN -0.122 nan 8.240 nan 0.000 0.509 338 E N 0.507 120.712 120.200 0.007 0.000 2.110 338 E HA -0.147 4.203 4.350 0.001 0.000 0.193 338 E C 1.850 178.445 176.600 -0.009 0.000 0.988 338 E CA 1.786 58.186 56.400 -0.000 0.000 0.804 338 E CB -0.176 29.525 29.700 0.002 0.000 0.745 338 E HN 0.832 nan 8.360 nan 0.000 0.458 339 E N -0.667 119.531 120.200 -0.003 0.000 2.204 339 E HA -0.201 4.149 4.350 0.001 0.000 0.195 339 E C 1.734 178.323 176.600 -0.018 0.000 0.990 339 E CA 0.954 57.352 56.400 -0.002 0.000 0.821 339 E CB -0.162 29.544 29.700 0.009 0.000 0.750 339 E HN 0.341 nan 8.360 nan 0.000 0.477 340 A N 0.789 123.598 122.820 -0.019 0.000 1.968 340 A HA -0.094 4.227 4.320 0.001 0.000 0.217 340 A C 2.391 179.927 177.584 -0.079 0.000 1.169 340 A CA 1.217 53.234 52.037 -0.033 0.000 0.638 340 A CB -0.766 18.230 19.000 -0.006 0.000 0.812 340 A HN 0.321 nan 8.150 nan 0.000 0.446 341 V N -1.845 118.025 119.914 -0.075 0.000 2.282 341 V HA -0.227 3.893 4.120 0.001 0.000 0.249 341 V C 2.487 178.445 176.094 -0.226 0.000 1.057 341 V CA 2.252 64.490 62.300 -0.104 0.000 1.032 341 V CB -1.609 30.182 31.823 -0.053 0.000 0.645 341 V HN 0.491 nan 8.190 nan 0.000 0.447 342 A N -0.188 122.483 122.820 -0.249 0.000 1.930 342 A HA -0.116 4.205 4.320 0.001 0.000 0.217 342 A C 2.172 179.281 177.584 -0.791 0.000 1.175 342 A CA 1.551 53.302 52.037 -0.477 0.000 0.627 342 A CB -0.578 18.212 19.000 -0.350 0.000 0.815 342 A HN 0.601 nan 8.150 nan 0.000 0.443 343 E N 0.145 120.117 120.200 -0.381 0.000 2.110 343 E HA -0.127 4.224 4.350 0.001 0.000 0.193 343 E C 2.308 178.778 176.600 -0.216 0.000 0.988 343 E CA 1.188 57.480 56.400 -0.180 0.000 0.804 343 E CB -0.593 29.095 29.700 -0.020 0.000 0.745 343 E HN 0.579 nan 8.360 nan 0.000 0.458 344 A N 1.074 123.740 122.820 -0.255 0.000 1.902 344 A HA -0.180 4.141 4.320 0.001 0.000 0.217 344 A C 2.067 179.392 177.584 -0.432 0.000 1.181 344 A CA 1.311 53.197 52.037 -0.252 0.000 0.623 344 A CB -0.790 18.088 19.000 -0.203 0.000 0.818 344 A HN 0.293 nan 8.150 nan 0.000 0.443 345 F N 0.043 119.447 119.950 -0.910 0.000 2.095 345 F HA -0.195 4.333 4.527 0.001 0.000 0.298 345 F C 2.046 177.605 175.800 -0.402 0.000 1.104 345 F CA 1.400 58.767 58.000 -1.056 0.000 1.232 345 F CB -0.775 37.637 39.000 -0.981 0.000 0.987 345 F HN 0.313 nan 8.300 nan 0.000 0.475 346 Y N 0.044 120.018 120.300 -0.542 0.000 2.181 346 Y HA -0.162 4.388 4.550 0.001 0.000 0.288 346 Y C 2.407 178.100 175.900 -0.344 0.000 1.146 346 Y CA 1.250 59.036 58.100 -0.524 0.000 1.164 346 Y CB -1.577 36.711 38.460 -0.286 0.000 0.982 346 Y HN 0.206 nan 8.280 nan 0.000 0.515 347 L N 0.326 121.500 121.223 -0.082 0.000 2.017 347 L HA -0.115 4.225 4.340 0.001 0.000 0.208 347 L C 2.401 179.232 176.870 -0.065 0.000 1.073 347 L CA 1.976 56.778 54.840 -0.062 0.000 0.745 347 L CB -1.207 40.822 42.059 -0.051 0.000 0.894 347 L HN 0.131 nan 8.230 nan 0.000 0.432 348 A N -0.893 121.886 122.820 -0.068 0.000 1.892 348 A HA -0.232 4.089 4.320 0.001 0.000 0.218 348 A C 2.210 179.794 177.584 -0.000 0.000 1.188 348 A CA 1.859 53.915 52.037 0.031 0.000 0.631 348 A CB -0.705 18.421 19.000 0.209 0.000 0.822 348 A HN 0.528 nan 8.150 nan 0.000 0.447 349 E N -0.292 119.842 120.200 -0.110 0.000 2.153 349 E HA -0.129 4.221 4.350 0.001 0.000 0.194 349 E C 2.242 178.799 176.600 -0.071 0.000 0.988 349 E CA 1.149 57.481 56.400 -0.114 0.000 0.811 349 E CB -0.426 29.102 29.700 -0.288 0.000 0.746 349 E HN 0.586 nan 8.360 nan 0.000 0.466 350 A N 0.395 123.170 122.820 -0.074 0.000 2.014 350 A HA -0.059 4.261 4.320 0.001 0.000 0.218 350 A C 2.254 179.822 177.584 -0.027 0.000 1.163 350 A CA 0.674 52.680 52.037 -0.051 0.000 0.652 350 A CB -0.332 18.636 19.000 -0.053 0.000 0.808 350 A HN 0.185 nan 8.150 nan 0.000 0.449 351 L N -0.983 120.232 121.223 -0.015 0.000 2.270 351 L HA 0.053 4.394 4.340 0.001 0.000 0.210 351 L C 1.031 177.909 176.870 0.014 0.000 1.104 351 L CA 0.146 54.987 54.840 0.001 0.000 0.804 351 L CB -0.247 41.818 42.059 0.009 0.000 0.937 351 L HN 0.231 nan 8.230 nan 0.000 0.450 352 R N 0.927 121.440 120.500 0.022 0.000 2.560 352 R HA 0.138 4.478 4.340 0.001 0.000 0.270 352 R C -1.438 174.875 176.300 0.022 0.000 1.074 352 R CA -1.157 54.963 56.100 0.033 0.000 1.140 352 R CB 0.126 30.458 30.300 0.053 0.000 1.073 352 R HN -0.092 nan 8.270 nan 0.000 0.527 353 P HA 0.079 nan 4.420 nan 0.000 0.261 353 P C 0.609 177.926 177.300 0.028 0.000 1.268 353 P CA 0.226 63.345 63.100 0.032 0.000 0.833 353 P CB 0.459 32.178 31.700 0.031 0.000 1.231 354 R N -0.239 120.274 120.500 0.021 0.000 2.159 354 R HA -0.000 4.340 4.340 0.001 0.000 0.237 354 R C 0.440 176.754 176.300 0.023 0.000 1.131 354 R CA 1.084 57.195 56.100 0.019 0.000 0.982 354 R CB -0.682 29.625 30.300 0.012 0.000 0.868 354 R HN 0.138 nan 8.270 nan 0.000 0.453 355 L N -0.204 121.035 121.223 0.027 0.000 2.381 355 L HA 0.443 4.783 4.340 0.001 0.000 0.268 355 L C -0.716 176.183 176.870 0.048 0.000 0.997 355 L CA -0.926 53.935 54.840 0.035 0.000 0.818 355 L CB 1.896 43.971 42.059 0.026 0.000 1.310 355 L HN -0.009 nan 8.230 nan 0.000 0.416 356 R N 2.745 123.280 120.500 0.058 0.000 2.205 356 R HA 0.736 5.077 4.340 0.001 0.000 0.342 356 R C -1.117 175.234 176.300 0.085 0.000 1.058 356 R CA -0.219 55.921 56.100 0.068 0.000 0.904 356 R CB 0.468 30.806 30.300 0.064 0.000 1.089 356 R HN 0.724 nan 8.270 nan 0.000 0.471 357 A N 4.491 127.368 122.820 0.094 0.000 2.318 357 A HA 0.447 4.768 4.320 0.001 0.000 0.317 357 A C -0.926 176.744 177.584 0.143 0.000 1.159 357 A CA -0.684 51.422 52.037 0.116 0.000 0.799 357 A CB 1.184 20.245 19.000 0.101 0.000 1.194 357 A HN 0.832 nan 8.150 nan 0.000 0.479 358 E N -0.030 120.255 120.200 0.141 0.000 2.378 358 E HA 0.722 5.072 4.350 0.001 0.000 0.265 358 E C -1.580 175.000 176.600 -0.032 0.000 0.932 358 E CA -0.618 55.817 56.400 0.058 0.000 0.795 358 E CB 2.305 32.087 29.700 0.136 0.000 1.296 358 E HN 0.725 nan 8.360 nan 0.000 0.438 359 Y N -2.187 118.024 120.300 -0.148 0.000 2.656 359 Y HA 0.728 5.278 4.550 0.001 0.000 0.334 359 Y C -1.244 174.466 175.900 -0.316 0.000 1.179 359 Y CA -1.536 56.302 58.100 -0.438 0.000 1.050 359 Y CB 0.528 38.863 38.460 -0.207 0.000 1.308 359 Y HN 0.503 nan 8.280 nan 0.000 0.456 360 A N 1.859 124.555 122.820 -0.206 0.000 2.327 360 A HA 0.551 4.872 4.320 0.001 0.000 0.283 360 A C 0.037 177.703 177.584 0.137 0.000 1.127 360 A CA -0.733 51.310 52.037 0.011 0.000 0.810 360 A CB 0.369 19.392 19.000 0.038 0.000 1.066 360 A HN 0.984 nan 8.150 nan 0.000 0.492 361 L N 0.895 122.178 121.223 0.100 0.000 2.611 361 L HA 0.320 4.661 4.340 0.001 0.000 0.229 361 L C 0.793 177.691 176.870 0.047 0.000 1.137 361 L CA 0.578 55.475 54.840 0.096 0.000 0.901 361 L CB -0.251 41.839 42.059 0.052 0.000 1.098 361 L HN 0.820 nan 8.230 nan 0.000 0.456 362 A N -0.799 122.048 122.820 0.046 0.000 2.594 362 A HA 0.688 5.009 4.320 0.001 0.000 0.295 362 A C -2.774 174.832 177.584 0.038 0.000 1.071 362 A CA -1.137 50.919 52.037 0.032 0.000 0.685 362 A CB 1.196 20.213 19.000 0.030 0.000 1.285 362 A HN -0.194 nan 8.150 nan 0.000 0.405 363 P HA 0.454 nan 4.420 nan 0.000 0.272 363 P C -0.752 176.579 177.300 0.052 0.000 1.223 363 P CA -0.062 63.061 63.100 0.039 0.000 0.784 363 P CB 0.471 32.189 31.700 0.030 0.000 0.923 364 R N -0.286 120.255 120.500 0.069 0.000 2.712 364 R HA 0.421 4.762 4.340 0.001 0.000 0.272 364 R C -1.192 175.164 176.300 0.093 0.000 1.032 364 R CA -1.036 55.111 56.100 0.077 0.000 0.874 364 R CB 0.817 31.171 30.300 0.090 0.000 1.256 364 R HN 0.228 nan 8.270 nan 0.000 0.468 365 K N 1.111 121.561 120.400 0.082 0.000 2.382 365 K HA 0.124 4.445 4.320 0.001 0.000 0.275 365 K C -1.841 174.836 176.600 0.130 0.000 1.009 365 K CA -1.431 54.904 56.287 0.080 0.000 0.970 365 K CB 0.756 33.289 32.500 0.055 0.000 0.934 365 K HN 0.257 nan 8.250 nan 0.000 0.479 366 P HA -0.313 nan 4.420 nan 0.000 0.217 366 P C 1.067 178.525 177.300 0.262 0.000 1.162 366 P CA 1.931 65.171 63.100 0.234 0.000 0.901 366 P CB 0.134 31.799 31.700 -0.058 0.000 0.793 367 A N -0.500 122.402 122.820 0.136 0.000 1.908 367 A HA -0.275 4.046 4.320 0.001 0.000 0.218 367 A C 2.076 179.729 177.584 0.116 0.000 1.181 367 A CA 2.198 54.304 52.037 0.116 0.000 0.627 367 A CB -1.100 17.940 19.000 0.066 0.000 0.818 367 A HN 0.190 nan 8.150 nan 0.000 0.445 368 K N -0.999 119.465 120.400 0.107 0.000 2.002 368 K HA -0.080 4.240 4.320 0.001 0.000 0.209 368 K C 2.179 178.847 176.600 0.115 0.000 1.048 368 K CA 1.152 57.494 56.287 0.092 0.000 0.930 368 K CB -0.541 32.007 32.500 0.080 0.000 0.714 368 K HN 0.451 nan 8.250 nan 0.000 0.438 369 G N 1.557 110.456 108.800 0.164 0.000 2.432 369 G HA2 -0.233 3.727 3.960 0.001 0.000 0.219 369 G HA3 -0.233 3.727 3.960 0.001 0.000 0.219 369 G C 1.463 176.466 174.900 0.172 0.000 1.135 369 G CA 0.418 45.638 45.100 0.200 0.000 0.767 369 G HN 0.093 nan 8.290 nan 0.000 0.550 370 L N 0.475 121.801 121.223 0.172 0.000 2.093 370 L HA 0.068 4.408 4.340 0.001 0.000 0.208 370 L C 2.639 179.545 176.870 0.060 0.000 1.085 370 L CA 2.178 57.097 54.840 0.131 0.000 0.755 370 L CB -0.357 41.824 42.059 0.205 0.000 0.904 370 L HN 0.409 nan 8.230 nan 0.000 0.435 371 E N -0.546 119.687 120.200 0.055 0.000 2.110 371 E HA -0.254 4.097 4.350 0.001 0.000 0.193 371 E C 1.902 178.480 176.600 -0.036 0.000 0.988 371 E CA 1.414 57.822 56.400 0.013 0.000 0.804 371 E CB -0.027 29.686 29.700 0.022 0.000 0.745 371 E HN 0.629 nan 8.360 nan 0.000 0.458 372 E N 0.060 120.234 120.200 -0.042 0.000 2.106 372 E HA -0.164 4.187 4.350 0.001 0.000 0.192 372 E C 2.001 178.381 176.600 -0.367 0.000 0.984 372 E CA 0.801 57.107 56.400 -0.157 0.000 0.806 372 E CB -0.082 29.566 29.700 -0.087 0.000 0.750 372 E HN 0.331 nan 8.360 nan 0.000 0.458 373 A N 0.946 123.591 122.820 -0.292 0.000 1.902 373 A HA -0.162 4.158 4.320 0.001 0.000 0.217 373 A C 2.090 179.560 177.584 -0.191 0.000 1.181 373 A CA 0.978 52.827 52.037 -0.313 0.000 0.623 373 A CB -0.405 18.590 19.000 -0.009 0.000 0.818 373 A HN 0.112 nan 8.150 nan 0.000 0.443 374 L N -0.178 120.979 121.223 -0.110 0.000 2.017 374 L HA -0.115 4.225 4.340 0.001 0.000 0.208 374 L C 2.381 179.198 176.870 -0.089 0.000 1.073 374 L CA 2.188 56.983 54.840 -0.074 0.000 0.745 374 L CB -0.640 41.395 42.059 -0.040 0.000 0.894 374 L HN 0.415 nan 8.230 nan 0.000 0.432 375 K N -0.685 119.651 120.400 -0.107 0.000 2.063 375 K HA -0.173 4.147 4.320 0.001 0.000 0.208 375 K C 2.022 178.553 176.600 -0.115 0.000 1.048 375 K CA 1.391 57.619 56.287 -0.098 0.000 0.928 375 K CB -0.019 32.419 32.500 -0.102 0.000 0.713 375 K HN 0.211 nan 8.250 nan 0.000 0.442 376 R N -0.844 119.546 120.500 -0.183 0.000 2.323 376 R HA 0.009 4.350 4.340 0.001 0.000 0.198 376 R C 0.796 177.033 176.300 -0.105 0.000 0.988 376 R CA 0.573 56.568 56.100 -0.174 0.000 1.041 376 R CB 0.209 30.323 30.300 -0.309 0.000 0.926 376 R HN 0.455 nan 8.270 nan 0.000 0.476 377 G N 0.901 109.650 108.800 -0.085 0.000 2.198 377 G HA2 -0.334 3.626 3.960 0.001 0.000 0.260 377 G HA3 -0.334 3.626 3.960 0.001 0.000 0.260 377 G C 0.182 175.064 174.900 -0.030 0.000 1.025 377 G CA 0.205 45.276 45.100 -0.048 0.000 0.769 377 G HN 0.508 nan 8.290 nan 0.000 0.507 378 A N -0.560 122.238 122.820 -0.038 0.000 2.462 378 A HA 0.799 5.119 4.320 0.001 0.000 0.243 378 A C 1.620 179.215 177.584 0.018 0.000 1.076 378 A CA 0.930 52.979 52.037 0.019 0.000 0.773 378 A CB 0.552 19.583 19.000 0.052 0.000 1.010 378 A HN 1.731 nan 8.150 nan 0.000 0.493 379 A N 1.980 124.839 122.820 0.065 0.000 1.874 379 A HA 0.394 4.714 4.320 0.001 0.000 0.214 379 A C 0.358 177.860 177.584 -0.138 0.000 1.189 379 A CA 0.870 52.904 52.037 -0.005 0.000 0.615 379 A CB -0.175 18.904 19.000 0.131 0.000 0.830 379 A HN 0.689 nan 8.150 nan 0.000 0.443 380 F N -1.624 118.359 119.950 0.056 0.000 2.546 380 F HA 0.659 5.186 4.527 0.001 0.000 0.320 380 F C 0.291 176.113 175.800 0.038 0.000 1.076 380 F CA -0.625 57.411 58.000 0.061 0.000 0.928 380 F CB 1.976 41.028 39.000 0.087 0.000 1.189 380 F HN 0.163 nan 8.300 nan 0.000 0.465 381 A N 1.204 124.132 122.820 0.180 0.000 2.324 381 A HA 0.819 5.139 4.320 0.001 0.000 0.330 381 A C -0.303 177.215 177.584 -0.111 0.000 1.165 381 A CA -0.473 51.556 52.037 -0.013 0.000 0.813 381 A CB 0.857 19.770 19.000 -0.146 0.000 1.197 381 A HN 0.928 nan 8.150 nan 0.000 0.484 382 G N 0.663 109.318 108.800 -0.242 0.000 2.609 382 G HA2 0.593 4.553 3.960 0.001 0.000 0.308 382 G HA3 0.593 4.553 3.960 0.001 0.000 0.308 382 G C -1.135 173.572 174.900 -0.322 0.000 1.369 382 G CA -0.344 44.643 45.100 -0.189 0.000 0.958 382 G HN 0.395 nan 8.290 nan 0.000 0.499 383 F N 1.307 121.277 119.950 0.033 0.000 2.420 383 F HA 0.541 5.068 4.527 0.001 0.000 0.342 383 F C 0.421 176.221 175.800 -0.000 0.000 1.113 383 F CA -0.802 57.209 58.000 0.019 0.000 1.059 383 F CB 2.169 41.184 39.000 0.025 0.000 1.128 383 F HN 0.056 nan 8.300 nan 0.000 0.475 384 L N 3.661 124.989 121.223 0.175 0.000 2.417 384 L HA 0.523 4.864 4.340 0.001 0.000 0.259 384 L C 0.201 177.119 176.870 0.080 0.000 1.023 384 L CA -0.303 54.589 54.840 0.088 0.000 0.901 384 L CB 0.867 42.941 42.059 0.025 0.000 1.227 384 L HN 0.817 nan 8.230 nan 0.000 0.454 385 G N 0.158 109.002 108.800 0.074 0.000 2.887 385 G HA2 0.266 4.227 3.960 0.001 0.000 0.277 385 G HA3 0.266 4.227 3.960 0.001 0.000 0.277 385 G C 0.446 175.362 174.900 0.026 0.000 1.346 385 G CA -0.178 44.950 45.100 0.046 0.000 1.058 385 G HN 0.467 nan 8.290 nan 0.000 0.535 386 E N -0.221 119.988 120.200 0.016 0.000 2.070 386 E HA -0.157 4.193 4.350 0.001 0.000 0.197 386 E C 1.880 178.485 176.600 0.008 0.000 1.004 386 E CA 2.063 58.469 56.400 0.010 0.000 0.805 386 E CB -0.080 29.623 29.700 0.006 0.000 0.744 386 E HN 0.462 nan 8.360 nan 0.000 0.451 387 D N 0.395 120.798 120.400 0.004 0.000 2.103 387 D HA -0.201 4.439 4.640 0.001 0.000 0.190 387 D C 1.810 178.113 176.300 0.005 0.000 0.997 387 D CA 1.762 55.763 54.000 0.001 0.000 0.833 387 D CB -0.425 40.373 40.800 -0.005 0.000 0.961 387 D HN 0.493 nan 8.370 nan 0.000 0.447 388 E N 1.123 121.330 120.200 0.012 0.000 2.153 388 E HA -0.133 4.218 4.350 0.001 0.000 0.194 388 E C 2.605 179.211 176.600 0.011 0.000 0.988 388 E CA 0.341 56.749 56.400 0.013 0.000 0.811 388 E CB -0.705 29.011 29.700 0.027 0.000 0.746 388 E HN 0.355 nan 8.360 nan 0.000 0.466 389 L N 0.497 121.728 121.223 0.013 0.000 2.017 389 L HA -0.111 4.229 4.340 0.001 0.000 0.208 389 L C 2.858 179.733 176.870 0.009 0.000 1.073 389 L CA 1.440 56.287 54.840 0.013 0.000 0.745 389 L CB -0.290 41.778 42.059 0.015 0.000 0.894 389 L HN 0.083 nan 8.230 nan 0.000 0.432 390 R N -0.415 120.089 120.500 0.006 0.000 2.153 390 R HA 0.010 4.351 4.340 0.001 0.000 0.218 390 R C 2.041 178.341 176.300 0.000 0.000 1.072 390 R CA 0.981 57.083 56.100 0.003 0.000 0.990 390 R CB -0.183 30.119 30.300 0.002 0.000 0.889 390 R HN 0.276 nan 8.270 nan 0.000 0.452 391 A N 0.412 123.232 122.820 -0.000 0.000 2.218 391 A HA 0.234 4.554 4.320 0.001 0.000 0.209 391 A C 1.348 178.929 177.584 -0.006 0.000 1.168 391 A CA 0.625 52.659 52.037 -0.004 0.000 0.804 391 A CB 0.052 19.050 19.000 -0.004 0.000 0.834 391 A HN 0.388 nan 8.150 nan 0.000 0.482 392 G N -0.233 108.565 108.800 -0.004 0.000 2.198 392 G HA2 -0.223 3.737 3.960 0.001 0.000 0.257 392 G HA3 -0.223 3.737 3.960 0.001 0.000 0.257 392 G C -0.175 174.718 174.900 -0.011 0.000 1.042 392 G CA 0.635 45.731 45.100 -0.007 0.000 0.791 392 G HN 0.644 nan 8.290 nan 0.000 0.502 393 E N -1.851 118.344 120.200 -0.008 0.000 2.370 393 E HA 0.792 5.143 4.350 0.001 0.000 0.259 393 E C -0.494 176.103 176.600 -0.006 0.000 0.947 393 E CA -1.094 55.297 56.400 -0.014 0.000 0.809 393 E CB 2.494 32.186 29.700 -0.015 0.000 1.300 393 E HN 0.266 nan 8.360 nan 0.000 0.419 394 V N 0.530 120.436 119.914 -0.012 0.000 2.888 394 V HA 0.286 4.406 4.120 0.001 0.000 0.309 394 V C -0.796 175.309 176.094 0.019 0.000 1.114 394 V CA -0.914 61.390 62.300 0.007 0.000 0.940 394 V CB 2.170 33.983 31.823 -0.017 0.000 1.021 394 V HN 0.663 nan 8.190 nan 0.000 0.426 395 T N 5.781 120.392 114.554 0.094 0.000 2.832 395 T HA 0.570 4.920 4.350 0.001 0.000 0.313 395 T C -0.172 174.648 174.700 0.200 0.000 1.035 395 T CA -0.105 62.083 62.100 0.147 0.000 0.950 395 T CB -0.010 68.986 68.868 0.214 0.000 0.984 395 T HN 0.341 nan 8.240 nan 0.000 0.486 396 L N 3.154 124.439 121.223 0.103 0.000 2.379 396 L HA 0.602 4.942 4.340 0.001 0.000 0.269 396 L C 0.422 177.459 176.870 0.279 0.000 1.084 396 L CA -0.707 54.226 54.840 0.155 0.000 0.802 396 L CB 1.083 43.160 42.059 0.029 0.000 1.175 396 L HN 0.386 nan 8.230 nan 0.000 0.448 397 K N 2.846 123.465 120.400 0.365 0.000 2.652 397 K HA 0.253 4.573 4.320 0.001 0.000 0.249 397 K C -0.922 175.780 176.600 0.171 0.000 0.986 397 K CA -0.739 55.723 56.287 0.291 0.000 0.867 397 K CB 1.513 34.185 32.500 0.287 0.000 1.201 397 K HN 0.518 nan 8.250 nan 0.000 0.450 398 R N 5.685 126.177 120.500 -0.013 0.000 2.351 398 R HA 0.095 4.435 4.340 0.001 0.000 0.318 398 R C 0.777 176.933 176.300 -0.240 0.000 1.055 398 R CA -0.041 55.721 56.100 -0.564 0.000 0.968 398 R CB 0.371 30.314 30.300 -0.596 0.000 0.974 398 R HN 0.734 nan 8.270 nan 0.000 0.439 399 L N 4.107 125.195 121.223 -0.225 0.000 2.265 399 L HA -0.163 4.178 4.340 0.001 0.000 0.215 399 L C 2.267 179.083 176.870 -0.091 0.000 1.117 399 L CA 1.267 56.047 54.840 -0.099 0.000 0.782 399 L CB -0.547 41.467 42.059 -0.075 0.000 0.914 399 L HN 0.788 nan 8.230 nan 0.000 0.441 400 A N 0.578 123.314 122.820 -0.138 0.000 1.832 400 A HA -0.167 4.154 4.320 0.001 0.000 0.214 400 A C 2.349 179.895 177.584 -0.063 0.000 1.204 400 A CA 2.122 54.102 52.037 -0.096 0.000 0.606 400 A CB -0.866 18.065 19.000 -0.115 0.000 0.849 400 A HN 0.444 nan 8.150 nan 0.000 0.445 401 T N -4.487 110.027 114.554 -0.068 0.000 3.107 401 T HA 0.412 4.763 4.350 0.001 0.000 0.249 401 T C 1.394 176.092 174.700 -0.004 0.000 1.096 401 T CA 1.087 63.172 62.100 -0.026 0.000 1.012 401 T CB 0.250 69.110 68.868 -0.013 0.000 0.977 401 T HN 1.775 nan 8.240 nan 0.000 0.527 402 G N 1.677 110.473 108.800 -0.007 0.000 2.189 402 G HA2 -0.319 3.641 3.960 0.001 0.000 0.267 402 G HA3 -0.319 3.641 3.960 0.001 0.000 0.267 402 G C -0.106 174.828 174.900 0.056 0.000 0.975 402 G CA 0.312 45.428 45.100 0.027 0.000 0.644 402 G HN 0.833 nan 8.290 nan 0.000 0.537 403 E N 0.723 120.959 120.200 0.061 0.000 2.383 403 E HA 0.291 4.641 4.350 0.001 0.000 0.257 403 E C 0.387 177.081 176.600 0.156 0.000 1.079 403 E CA 0.010 56.474 56.400 0.107 0.000 0.934 403 E CB 0.125 29.904 29.700 0.131 0.000 0.978 403 E HN 0.532 nan 8.360 nan 0.000 0.462 404 Q N 3.360 123.238 119.800 0.132 0.000 2.256 404 Q HA 0.475 4.816 4.340 0.001 0.000 0.257 404 Q C -1.567 174.491 176.000 0.096 0.000 0.936 404 Q CA -0.843 55.042 55.803 0.137 0.000 0.903 404 Q CB 1.673 30.478 28.738 0.112 0.000 1.263 404 Q HN 0.403 nan 8.270 nan 0.000 0.440 405 V N 3.328 123.278 119.914 0.060 0.000 2.760 405 V HA 0.502 4.623 4.120 0.001 0.000 0.309 405 V C -1.045 175.004 176.094 -0.074 0.000 1.077 405 V CA -0.872 61.399 62.300 -0.049 0.000 0.910 405 V CB 2.039 33.723 31.823 -0.231 0.000 1.008 405 V HN 0.758 nan 8.190 nan 0.000 0.424 406 R N 5.161 125.621 120.500 -0.067 0.000 2.310 406 R HA 0.838 5.178 4.340 0.001 0.000 0.324 406 R C -1.186 175.063 176.300 -0.085 0.000 0.955 406 R CA -0.288 55.781 56.100 -0.053 0.000 0.830 406 R CB 0.888 31.175 30.300 -0.022 0.000 1.154 406 R HN 0.793 nan 8.270 nan 0.000 0.458 407 L N 0.787 121.947 121.223 -0.104 0.000 2.403 407 L HA 0.735 5.075 4.340 0.001 0.000 0.253 407 L C -0.632 176.196 176.870 -0.070 0.000 1.045 407 L CA -1.252 53.527 54.840 -0.102 0.000 0.845 407 L CB 2.018 43.975 42.059 -0.170 0.000 1.447 407 L HN 0.671 nan 8.230 nan 0.000 0.411 408 S N -0.279 115.390 115.700 -0.051 0.000 2.585 408 S HA 0.315 4.785 4.470 0.001 0.000 0.273 408 S C 0.894 175.470 174.600 -0.039 0.000 1.339 408 S CA -0.484 57.695 58.200 -0.036 0.000 1.028 408 S CB 1.303 64.488 63.200 -0.026 0.000 0.906 408 S HN 0.817 nan 8.310 nan 0.000 0.528 409 R N 1.215 121.696 120.500 -0.031 0.000 2.174 409 R HA -0.202 4.138 4.340 0.001 0.000 0.253 409 R C 1.933 178.216 176.300 -0.029 0.000 1.165 409 R CA 2.279 58.361 56.100 -0.030 0.000 0.984 409 R CB -0.470 29.815 30.300 -0.024 0.000 0.873 409 R HN 0.788 nan 8.270 nan 0.000 0.456 410 E N 0.363 120.548 120.200 -0.024 0.000 2.072 410 E HA -0.154 4.196 4.350 0.001 0.000 0.191 410 E C 1.586 178.178 176.600 -0.013 0.000 0.985 410 E CA 1.113 57.502 56.400 -0.018 0.000 0.801 410 E CB -0.030 29.661 29.700 -0.015 0.000 0.750 410 E HN 0.418 nan 8.360 nan 0.000 0.452 411 E N 0.517 120.707 120.200 -0.017 0.000 2.409 411 E HA -0.092 4.258 4.350 0.001 0.000 0.198 411 E C 1.835 178.436 176.600 0.002 0.000 1.024 411 E CA 0.489 56.886 56.400 -0.005 0.000 0.861 411 E CB 0.118 29.806 29.700 -0.020 0.000 0.788 411 E HN 0.100 nan 8.360 nan 0.000 0.521 412 V N 1.361 121.259 119.914 -0.026 0.000 2.270 412 V HA -0.183 3.938 4.120 0.001 0.000 0.245 412 V C -0.729 175.363 176.094 -0.003 0.000 1.043 412 V CA 1.817 64.098 62.300 -0.033 0.000 1.014 412 V CB -1.425 30.366 31.823 -0.055 0.000 0.645 412 V HN 0.184 nan 8.190 nan 0.000 0.447 413 P HA -0.130 nan 4.420 nan 0.000 0.215 413 P C 1.749 179.050 177.300 0.003 0.000 1.157 413 P CA 1.988 65.084 63.100 -0.006 0.000 0.868 413 P CB -0.355 31.341 31.700 -0.007 0.000 0.788 414 G N -1.378 107.433 108.800 0.018 0.000 2.421 414 G HA2 -0.308 3.652 3.960 0.001 0.000 0.216 414 G HA3 -0.308 3.652 3.960 0.001 0.000 0.216 414 G C 1.600 176.518 174.900 0.030 0.000 1.171 414 G CA 0.697 45.810 45.100 0.022 0.000 0.775 414 G HN 0.224 nan 8.290 nan 0.000 0.543 415 Y N 1.160 121.415 120.300 -0.076 0.000 2.128 415 Y HA -0.106 4.445 4.550 0.001 0.000 0.284 415 Y C 2.604 178.413 175.900 -0.152 0.000 1.154 415 Y CA 1.604 59.647 58.100 -0.095 0.000 1.149 415 Y CB -0.242 38.151 38.460 -0.111 0.000 0.976 415 Y HN 0.114 nan 8.280 nan 0.000 0.505 416 L N -0.622 120.570 121.223 -0.051 0.000 2.046 416 L HA -0.249 4.092 4.340 0.001 0.000 0.208 416 L C 2.501 179.294 176.870 -0.128 0.000 1.077 416 L CA 1.264 55.970 54.840 -0.223 0.000 0.747 416 L CB -0.658 41.288 42.059 -0.189 0.000 0.896 416 L HN 0.303 nan 8.230 nan 0.000 0.432 417 L N -0.275 120.906 121.223 -0.070 0.000 2.046 417 L HA -0.244 4.097 4.340 0.001 0.000 0.208 417 L C 2.754 179.594 176.870 -0.050 0.000 1.077 417 L CA 1.429 56.246 54.840 -0.039 0.000 0.747 417 L CB -0.396 41.650 42.059 -0.021 0.000 0.896 417 L HN 0.420 nan 8.230 nan 0.000 0.432 418 Q N -0.267 119.482 119.800 -0.084 0.000 2.230 418 Q HA -0.058 4.282 4.340 0.001 0.000 0.202 418 Q C 1.844 177.778 176.000 -0.111 0.000 0.963 418 Q CA 1.462 57.212 55.803 -0.088 0.000 0.866 418 Q CB -0.444 28.239 28.738 -0.092 0.000 0.931 418 Q HN 0.314 nan 8.270 nan 0.000 0.452 419 A N 0.002 122.719 122.820 -0.172 0.000 2.169 419 A HA 0.262 4.582 4.320 0.001 0.000 0.212 419 A C 1.613 179.221 177.584 0.040 0.000 1.153 419 A CA 0.577 52.548 52.037 -0.110 0.000 0.756 419 A CB -0.016 18.864 19.000 -0.198 0.000 0.813 419 A HN 0.385 nan 8.150 nan 0.000 0.471 420 L N -2.267 118.977 121.223 0.036 0.000 2.993 420 L HA 0.290 4.630 4.340 0.001 0.000 0.264 420 L C 1.353 178.243 176.870 0.033 0.000 1.154 420 L CA 0.056 54.937 54.840 0.069 0.000 0.972 420 L CB 0.439 42.568 42.059 0.117 0.000 1.373 420 L HN 0.342 nan 8.230 nan 0.000 0.564 421 G N 0.000 108.807 108.800 0.011 0.000 5.446 421 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 421 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 421 G CA 0.000 45.104 45.100 0.007 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925