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 1fui_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKKISLPKIG IRPVIDGRRM GVRESLEEQT MNMAKATAAL LTEKLRHACG DATA SEQUENCE AAVECVISDT CIAGMAEAAA CEEKFSSQNV GLTITVTPCW CYGSETIDMD DATA SEQUENCE PTRPKAIWGF NGTERPGAVY LAAALAAHSQ KGIPAFSIYG HDVQDADDTS DATA SEQUENCE IPADVEEKLL RFARAGLAVA SMKGKSYLSL GGVSMGIAGS IVDHNFFESW DATA SEQUENCE LGMKVQAVDM TELRRRIDQK IYDEAELEMA LAWADKNFRY GEDENNKQYQ DATA SEQUENCE RNAEQSRAVL RESLLMAMCI RDMMQGNSKL ADIGRVEESL GYNAIAAGFQ DATA SEQUENCE GQRHWTDQYP NGDTAEAILN SSFDWNGVRE PFVVATENDS LNGVAMLMGH DATA SEQUENCE QLTGTAQVFA DVRTYWSPEA IERVTGHKLD GLAEHGIIHL INSGSAALDG DATA SEQUENCE SCKQRDSEGN PTMKPHWEIS QQEADACLAA TEWCPAIHEY FRGGGYSSRF DATA SEQUENCE LTEGGVPFTM TRVNIIKGLG PVLQIAEGWS VELPKDVHDI LNKRTNSTWP DATA SEQUENCE TTWFAPRLTG KGPFTDVYSV MANWGANHGV LTIGHVGADF ITLASMLRIP DATA SEQUENCE VCMHNVEETK VYRPSAWAAH GMDIEGQDYR ACQNYGPLYK R 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.019 0.000 1.140 1 M CA 0.000 55.290 55.300 -0.017 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 K N 0.594 120.983 120.400 -0.019 0.000 5.248 2 K HA -0.175 4.145 4.320 0.000 0.000 0.573 2 K C -0.140 176.438 176.600 -0.037 0.000 2.577 2 K CA 0.662 56.934 56.287 -0.024 0.000 2.028 2 K CB -0.239 32.250 32.500 -0.019 0.000 2.551 2 K HN 0.669 nan 8.250 nan 0.000 0.155 3 K N -0.414 119.955 120.400 -0.052 0.000 3.016 3 K HA -0.204 4.116 4.320 0.000 0.000 0.262 3 K C 0.507 177.065 176.600 -0.070 0.000 1.043 3 K CA 1.272 57.515 56.287 -0.074 0.000 0.761 3 K CB -1.467 30.996 32.500 -0.061 0.000 1.230 3 K HN 0.496 nan 8.250 nan 0.000 0.485 4 I N -1.352 119.183 120.570 -0.059 0.000 2.856 4 I HA 0.030 4.200 4.170 0.000 0.000 0.312 4 I C -0.386 175.697 176.117 -0.057 0.000 1.186 4 I CA 0.420 61.691 61.300 -0.047 0.000 2.036 4 I CB -1.160 36.820 38.000 -0.033 0.000 1.589 4 I HN 0.254 nan 8.210 nan 0.000 0.968 5 S N 4.701 120.366 115.700 -0.059 0.000 3.371 5 S HA -0.149 4.321 4.470 0.000 0.000 0.353 5 S C 0.357 174.907 174.600 -0.083 0.000 0.849 5 S CA 0.158 58.322 58.200 -0.060 0.000 1.356 5 S CB -1.226 61.953 63.200 -0.034 0.000 1.217 5 S HN 0.620 nan 8.310 nan 0.000 0.559 6 L N 4.418 125.557 121.223 -0.139 0.000 2.439 6 L HA 0.312 4.652 4.340 0.000 0.000 0.269 6 L C -1.215 175.612 176.870 -0.073 0.000 1.179 6 L CA -1.775 52.935 54.840 -0.216 0.000 0.828 6 L CB -0.002 41.736 42.059 -0.536 0.000 1.106 6 L HN 0.280 nan 8.230 nan 0.000 0.467 7 P HA 0.157 nan 4.420 nan 0.000 0.272 7 P C -1.195 176.145 177.300 0.067 0.000 1.223 7 P CA -0.250 62.870 63.100 0.034 0.000 0.784 7 P CB 0.991 32.712 31.700 0.035 0.000 0.923 8 K N 1.362 121.758 120.400 -0.008 0.000 2.306 8 K HA 0.619 4.939 4.320 0.000 0.000 0.236 8 K C -0.141 176.398 176.600 -0.101 0.000 1.013 8 K CA -1.033 55.229 56.287 -0.042 0.000 0.857 8 K CB 1.524 33.982 32.500 -0.070 0.000 1.214 8 K HN 0.389 nan 8.250 nan 0.000 0.449 9 I N 1.149 121.648 120.570 -0.119 0.000 2.354 9 I HA 0.251 4.421 4.170 0.000 0.000 0.292 9 I C 0.371 176.354 176.117 -0.223 0.000 0.989 9 I CA -0.594 60.630 61.300 -0.127 0.000 1.188 9 I CB 1.670 39.628 38.000 -0.071 0.000 1.342 9 I HN 0.624 nan 8.210 nan 0.000 0.457 10 G N 7.207 115.801 108.800 -0.344 0.000 2.332 10 G HA2 0.665 4.625 3.960 0.000 0.000 0.310 10 G HA3 0.665 4.625 3.960 0.000 0.000 0.310 10 G C -0.591 174.246 174.900 -0.105 0.000 1.123 10 G CA -0.410 44.288 45.100 -0.670 0.000 0.873 10 G HN 0.518 nan 8.290 nan 0.000 0.460 11 I N 2.145 122.769 120.570 0.090 0.000 2.362 11 I HA 0.337 4.507 4.170 0.000 0.000 0.289 11 I C 0.019 176.309 176.117 0.288 0.000 0.994 11 I CA -0.668 60.742 61.300 0.183 0.000 1.158 11 I CB 1.783 39.855 38.000 0.120 0.000 1.315 11 I HN 0.323 nan 8.210 nan 0.000 0.451 12 R N 7.541 128.180 120.500 0.232 0.000 2.247 12 R HA 0.336 4.676 4.340 0.000 0.000 0.329 12 R C -2.569 173.759 176.300 0.047 0.000 1.014 12 R CA -1.658 54.531 56.100 0.148 0.000 0.907 12 R CB 0.813 31.200 30.300 0.145 0.000 1.146 12 R HN 0.303 nan 8.270 nan 0.000 0.499 13 P HA 0.086 nan 4.420 nan 0.000 0.281 13 P C -0.331 176.893 177.300 -0.125 0.000 1.286 13 P CA -0.131 62.931 63.100 -0.064 0.000 0.772 13 P CB 1.395 33.060 31.700 -0.058 0.000 0.862 14 V N 6.267 126.066 119.914 -0.191 0.000 2.630 14 V HA 0.532 4.652 4.120 0.000 0.000 0.305 14 V C 0.564 176.437 176.094 -0.369 0.000 1.046 14 V CA -0.653 61.466 62.300 -0.300 0.000 0.934 14 V CB 1.843 33.429 31.823 -0.394 0.000 1.003 14 V HN 0.539 nan 8.190 nan 0.000 0.451 15 I N 1.464 121.798 120.570 -0.393 0.000 3.093 15 I HA 0.394 4.564 4.170 0.000 0.000 0.308 15 I C -1.173 174.677 176.117 -0.445 0.000 1.303 15 I CA -0.672 60.409 61.300 -0.365 0.000 0.975 15 I CB 2.432 40.283 38.000 -0.248 0.000 1.286 15 I HN 0.594 nan 8.210 nan 0.000 0.459 16 D N 3.121 123.298 120.400 -0.371 0.000 2.417 16 D HA 0.135 4.775 4.640 0.000 0.000 0.250 16 D C 0.918 177.016 176.300 -0.338 0.000 1.166 16 D CA 0.668 54.429 54.000 -0.397 0.000 0.881 16 D CB 1.856 42.585 40.800 -0.118 0.000 1.164 16 D HN 0.717 nan 8.370 nan 0.000 0.467 17 G N 4.162 112.680 108.800 -0.471 0.000 2.511 17 G HA2 -0.158 3.802 3.960 0.000 0.000 0.217 17 G HA3 -0.158 3.802 3.960 0.000 0.000 0.217 17 G C 0.805 175.692 174.900 -0.021 0.000 1.133 17 G CA -0.056 44.926 45.100 -0.198 0.000 0.792 17 G HN 0.625 nan 8.290 nan 0.000 0.539 18 R N 0.818 121.353 120.500 0.059 0.000 2.449 18 R HA 0.305 4.645 4.340 0.000 0.000 0.296 18 R C 0.305 176.622 176.300 0.028 0.000 1.047 18 R CA -0.393 55.753 56.100 0.078 0.000 1.018 18 R CB 0.874 31.251 30.300 0.127 0.000 0.962 18 R HN -0.014 nan 8.270 nan 0.000 0.428 19 R N 3.067 123.580 120.500 0.021 0.000 2.225 19 R HA 0.089 4.429 4.340 0.000 0.000 0.139 19 R C 0.993 177.299 176.300 0.011 0.000 0.745 19 R CA -0.403 55.701 56.100 0.006 0.000 1.634 19 R CB -0.370 29.931 30.300 0.002 0.000 1.019 19 R HN 0.914 nan 8.270 nan 0.000 0.629 20 M N -0.245 119.358 119.600 0.006 0.000 2.653 20 M HA -0.292 4.188 4.480 0.000 0.000 0.203 20 M C 0.274 176.577 176.300 0.005 0.000 0.502 20 M CA 1.279 56.583 55.300 0.007 0.000 0.601 20 M CB -1.207 31.401 32.600 0.013 0.000 2.228 20 M HN 1.006 nan 8.290 nan 0.000 0.711 21 G N -2.030 106.769 108.800 -0.001 0.000 2.604 21 G HA2 -0.301 3.659 3.960 0.000 0.000 0.205 21 G HA3 -0.301 3.659 3.960 0.000 0.000 0.205 21 G C 0.241 175.137 174.900 -0.006 0.000 1.186 21 G CA 0.255 45.353 45.100 -0.004 0.000 0.753 21 G HN 0.561 nan 8.290 nan 0.000 0.526 22 V N 2.315 122.230 119.914 0.002 0.000 2.215 22 V HA -0.242 3.878 4.120 0.000 0.000 0.249 22 V C 2.726 178.808 176.094 -0.019 0.000 1.054 22 V CA 3.230 65.531 62.300 0.002 0.000 1.012 22 V CB -0.752 31.086 31.823 0.024 0.000 0.639 22 V HN 0.565 nan 8.190 nan 0.000 0.448 23 R N 0.338 120.823 120.500 -0.026 0.000 2.091 23 R HA -0.194 4.146 4.340 0.000 0.000 0.238 23 R C 2.343 178.611 176.300 -0.054 0.000 1.136 23 R CA 1.854 57.922 56.100 -0.053 0.000 0.959 23 R CB -0.292 29.972 30.300 -0.060 0.000 0.856 23 R HN 0.774 nan 8.270 nan 0.000 0.437 24 E N 0.371 120.548 120.200 -0.039 0.000 2.204 24 E HA -0.133 4.217 4.350 0.000 0.000 0.194 24 E C 1.670 178.245 176.600 -0.041 0.000 0.989 24 E CA 1.427 57.804 56.400 -0.039 0.000 0.824 24 E CB -0.263 29.420 29.700 -0.028 0.000 0.756 24 E HN 0.458 nan 8.360 nan 0.000 0.477 25 S N 0.031 115.708 115.700 -0.038 0.000 2.496 25 S HA 0.022 4.492 4.470 0.000 0.000 0.224 25 S C 1.729 176.295 174.600 -0.057 0.000 0.996 25 S CA 0.083 58.259 58.200 -0.040 0.000 0.927 25 S CB 0.015 63.198 63.200 -0.029 0.000 0.774 25 S HN 0.064 nan 8.310 nan 0.000 0.524 26 L N 1.510 122.692 121.223 -0.068 0.000 2.463 26 L HA 0.368 4.708 4.340 0.000 0.000 0.219 26 L C 2.411 179.216 176.870 -0.107 0.000 1.088 26 L CA 0.681 55.464 54.840 -0.094 0.000 0.849 26 L CB -0.863 41.136 42.059 -0.100 0.000 1.012 26 L HN 0.226 nan 8.230 nan 0.000 0.468 27 E N 0.136 120.281 120.200 -0.090 0.000 2.065 27 E HA -0.319 4.031 4.350 0.000 0.000 0.201 27 E C 1.843 178.391 176.600 -0.086 0.000 1.016 27 E CA 1.742 58.089 56.400 -0.088 0.000 0.818 27 E CB 0.074 29.732 29.700 -0.069 0.000 0.749 27 E HN 0.559 nan 8.360 nan 0.000 0.453 28 E N 0.627 120.781 120.200 -0.077 0.000 2.051 28 E HA -0.232 4.118 4.350 0.000 0.000 0.192 28 E C 2.247 178.793 176.600 -0.091 0.000 0.991 28 E CA 1.175 57.533 56.400 -0.071 0.000 0.799 28 E CB -0.010 29.655 29.700 -0.058 0.000 0.748 28 E HN 0.205 nan 8.360 nan 0.000 0.449 29 Q N -0.291 119.438 119.800 -0.118 0.000 2.084 29 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 29 Q C 1.950 177.836 176.000 -0.190 0.000 0.978 29 Q CA 2.048 57.752 55.803 -0.165 0.000 0.844 29 Q CB 0.027 28.638 28.738 -0.212 0.000 0.898 29 Q HN 0.239 nan 8.270 nan 0.000 0.426 30 T N 0.777 115.224 114.554 -0.178 0.000 2.708 30 T HA -0.120 4.230 4.350 0.000 0.000 0.266 30 T C 1.742 176.364 174.700 -0.130 0.000 1.037 30 T CA 1.207 63.199 62.100 -0.181 0.000 1.146 30 T CB -0.085 68.679 68.868 -0.174 0.000 0.865 30 T HN 0.258 nan 8.240 nan 0.000 0.435 31 M N 1.507 121.049 119.600 -0.097 0.000 2.296 31 M HA -0.013 4.467 4.480 0.000 0.000 0.265 31 M C 1.828 178.102 176.300 -0.044 0.000 1.064 31 M CA 1.066 56.330 55.300 -0.060 0.000 1.109 31 M CB -1.149 31.422 32.600 -0.048 0.000 1.396 31 M HN 0.165 nan 8.290 nan 0.000 0.430 32 N N 0.061 118.725 118.700 -0.060 0.000 2.142 32 N HA -0.085 4.655 4.740 0.000 0.000 0.186 32 N C 1.673 177.170 175.510 -0.020 0.000 1.023 32 N CA 1.052 54.079 53.050 -0.038 0.000 0.852 32 N CB -0.314 38.141 38.487 -0.053 0.000 0.998 32 N HN 0.341 nan 8.380 nan 0.000 0.424 33 M N 0.418 119.977 119.600 -0.069 0.000 2.080 33 M HA -0.145 4.335 4.480 0.000 0.000 0.260 33 M C 1.904 178.233 176.300 0.048 0.000 1.068 33 M CA 1.541 56.805 55.300 -0.060 0.000 1.109 33 M CB -0.045 32.408 32.600 -0.245 0.000 1.342 33 M HN 0.193 nan 8.290 nan 0.000 0.405 34 A N 0.189 123.019 122.820 0.016 0.000 1.877 34 A HA -0.208 4.112 4.320 0.000 0.000 0.216 34 A C 2.030 179.657 177.584 0.073 0.000 1.186 34 A CA 1.936 54.009 52.037 0.060 0.000 0.620 34 A CB -0.577 18.443 19.000 0.033 0.000 0.822 34 A HN 0.497 nan 8.150 nan 0.000 0.443 35 K N -0.420 120.008 120.400 0.046 0.000 2.097 35 K HA -0.032 4.288 4.320 0.000 0.000 0.206 35 K C 2.289 178.924 176.600 0.059 0.000 1.049 35 K CA 1.052 57.364 56.287 0.042 0.000 0.933 35 K CB -0.294 32.220 32.500 0.023 0.000 0.717 35 K HN 0.449 nan 8.250 nan 0.000 0.442 36 A N 0.822 123.692 122.820 0.083 0.000 1.898 36 A HA -0.143 4.177 4.320 0.000 0.000 0.216 36 A C 2.196 179.855 177.584 0.125 0.000 1.181 36 A CA 1.947 54.049 52.037 0.108 0.000 0.620 36 A CB -0.899 18.193 19.000 0.154 0.000 0.819 36 A HN 0.233 nan 8.150 nan 0.000 0.442 37 T N 0.370 115.032 114.554 0.180 0.000 2.746 37 T HA -0.036 4.314 4.350 0.000 0.000 0.267 37 T C 2.226 176.975 174.700 0.081 0.000 1.039 37 T CA 1.627 63.827 62.100 0.167 0.000 1.142 37 T CB -0.455 68.565 68.868 0.253 0.000 0.866 37 T HN 0.592 nan 8.240 nan 0.000 0.444 38 A N 1.494 124.356 122.820 0.069 0.000 1.902 38 A HA 0.153 4.473 4.320 0.000 0.000 0.217 38 A C 2.666 180.258 177.584 0.013 0.000 1.181 38 A CA 1.864 53.921 52.037 0.033 0.000 0.623 38 A CB -1.175 17.843 19.000 0.031 0.000 0.818 38 A HN 0.504 nan 8.150 nan 0.000 0.443 39 A N -0.362 122.471 122.820 0.021 0.000 1.883 39 A HA -0.081 4.239 4.320 0.000 0.000 0.217 39 A C 2.176 179.757 177.584 -0.004 0.000 1.186 39 A CA 1.845 53.887 52.037 0.007 0.000 0.624 39 A CB -0.720 18.291 19.000 0.017 0.000 0.822 39 A HN 0.794 nan 8.150 nan 0.000 0.444 40 L N -0.182 121.042 121.223 0.002 0.000 2.017 40 L HA -0.129 4.211 4.340 0.000 0.000 0.208 40 L C 2.326 179.175 176.870 -0.035 0.000 1.073 40 L CA 1.781 56.611 54.840 -0.017 0.000 0.745 40 L CB -0.472 41.575 42.059 -0.020 0.000 0.894 40 L HN 0.415 nan 8.230 nan 0.000 0.432 41 L N -0.719 120.485 121.223 -0.032 0.000 2.017 41 L HA -0.213 4.127 4.340 0.000 0.000 0.208 41 L C 2.553 179.378 176.870 -0.075 0.000 1.073 41 L CA 1.969 56.778 54.840 -0.053 0.000 0.745 41 L CB -1.336 40.698 42.059 -0.042 0.000 0.894 41 L HN 0.531 nan 8.230 nan 0.000 0.432 42 T N -3.674 110.842 114.554 -0.063 0.000 2.962 42 T HA -0.198 4.152 4.350 0.000 0.000 0.270 42 T C 1.610 176.263 174.700 -0.079 0.000 1.088 42 T CA 1.201 63.255 62.100 -0.077 0.000 1.127 42 T CB -0.090 68.745 68.868 -0.055 0.000 0.883 42 T HN 0.399 nan 8.240 nan 0.000 0.493 43 E N 0.686 120.850 120.200 -0.061 0.000 2.086 43 E HA -0.044 4.306 4.350 0.000 0.000 0.190 43 E C 1.829 178.392 176.600 -0.062 0.000 0.975 43 E CA 0.488 56.855 56.400 -0.056 0.000 0.813 43 E CB 0.163 29.841 29.700 -0.037 0.000 0.768 43 E HN 0.246 nan 8.360 nan 0.000 0.457 44 K N -0.025 120.339 120.400 -0.061 0.000 2.361 44 K HA 0.184 4.505 4.320 0.000 0.000 0.196 44 K C 0.673 177.231 176.600 -0.071 0.000 1.039 44 K CA 0.199 56.453 56.287 -0.056 0.000 1.001 44 K CB 0.529 32.998 32.500 -0.051 0.000 0.795 44 K HN 0.180 nan 8.250 nan 0.000 0.495 45 L N 1.337 122.495 121.223 -0.108 0.000 2.330 45 L HA 0.421 4.761 4.340 0.000 0.000 0.271 45 L C 0.020 176.757 176.870 -0.221 0.000 1.013 45 L CA -0.928 53.823 54.840 -0.147 0.000 0.816 45 L CB 1.400 43.355 42.059 -0.174 0.000 1.287 45 L HN -0.166 nan 8.230 nan 0.000 0.435 46 R N 0.250 120.593 120.500 -0.262 0.000 2.698 46 R HA 0.423 4.763 4.340 0.000 0.000 0.275 46 R C -0.984 175.127 176.300 -0.316 0.000 1.001 46 R CA -0.952 54.914 56.100 -0.391 0.000 0.896 46 R CB 1.841 31.699 30.300 -0.736 0.000 1.218 46 R HN 0.573 nan 8.270 nan 0.000 0.462 47 H N 0.455 119.387 119.070 -0.229 0.000 2.679 47 H HA 0.099 4.655 4.556 0.000 0.000 0.369 47 H C 1.151 176.435 175.328 -0.073 0.000 1.178 47 H CA 0.542 56.512 56.048 -0.129 0.000 1.419 47 H CB 1.198 30.897 29.762 -0.104 0.000 1.458 47 H HN 0.773 nan 8.280 nan 0.000 0.605 48 A N 1.576 124.467 122.820 0.117 0.000 2.024 48 A HA -0.183 4.137 4.320 0.000 0.000 0.220 48 A C 2.408 180.188 177.584 0.327 0.000 1.164 48 A CA 1.632 53.739 52.037 0.118 0.000 0.643 48 A CB -0.989 17.893 19.000 -0.196 0.000 0.806 48 A HN 0.848 nan 8.150 nan 0.000 0.451 49 C N -2.773 116.664 119.300 0.228 0.000 2.539 49 C HA 0.489 4.949 4.460 0.000 0.000 0.271 49 C C 2.002 177.176 174.990 0.307 0.000 1.412 49 C CA 0.245 59.402 59.018 0.232 0.000 1.729 49 C CB -0.989 26.786 27.740 0.059 0.000 1.739 49 C HN 1.574 nan 8.230 nan 0.000 0.570 50 G N 0.298 109.177 108.800 0.132 0.000 2.254 50 G HA2 0.074 4.034 3.960 0.000 0.000 0.225 50 G HA3 0.074 4.034 3.960 0.000 0.000 0.225 50 G C 0.410 175.109 174.900 -0.336 0.000 1.003 50 G CA 0.132 45.080 45.100 -0.253 0.000 0.622 50 G HN 1.526 nan 8.290 nan 0.000 0.507 51 A N 0.676 123.424 122.820 -0.120 0.000 2.466 51 A HA 0.772 5.092 4.320 0.000 0.000 0.238 51 A C 1.072 178.628 177.584 -0.048 0.000 1.074 51 A CA 1.202 53.197 52.037 -0.071 0.000 0.774 51 A CB 0.253 19.227 19.000 -0.044 0.000 1.015 51 A HN 2.137 nan 8.150 nan 0.000 0.498 52 A N 0.954 123.737 122.820 -0.062 0.000 2.386 52 A HA 0.514 4.834 4.320 0.000 0.000 0.248 52 A C 0.128 177.705 177.584 -0.012 0.000 1.082 52 A CA -0.299 51.681 52.037 -0.094 0.000 0.789 52 A CB 0.063 19.008 19.000 -0.093 0.000 1.025 52 A HN 1.068 nan 8.150 nan 0.000 0.490 53 V N 2.195 122.022 119.914 -0.144 0.000 2.498 53 V HA 0.219 4.339 4.120 0.000 0.000 0.279 53 V C 0.285 176.338 176.094 -0.069 0.000 1.048 53 V CA -0.159 62.030 62.300 -0.186 0.000 0.967 53 V CB 0.914 32.541 31.823 -0.327 0.000 0.988 53 V HN 0.956 nan 8.190 nan 0.000 0.473 54 E N 2.640 122.834 120.200 -0.010 0.000 2.191 54 E HA 0.515 4.865 4.350 0.000 0.000 0.274 54 E C -1.193 175.382 176.600 -0.041 0.000 0.948 54 E CA -0.516 55.873 56.400 -0.019 0.000 0.802 54 E CB 1.774 31.473 29.700 -0.001 0.000 1.137 54 E HN 0.654 nan 8.360 nan 0.000 0.397 55 C N 2.052 121.327 119.300 -0.041 0.000 2.493 55 C HA 0.607 5.067 4.460 0.000 0.000 0.326 55 C C -0.330 174.633 174.990 -0.046 0.000 1.200 55 C CA -0.683 58.303 59.018 -0.053 0.000 1.739 55 C CB 1.044 28.767 27.740 -0.029 0.000 2.300 55 C HN 0.448 nan 8.230 nan 0.000 0.500 56 V N 3.655 123.518 119.914 -0.085 0.000 2.487 56 V HA 0.508 4.628 4.120 0.000 0.000 0.298 56 V C -0.244 175.892 176.094 0.071 0.000 1.028 56 V CA -0.205 62.077 62.300 -0.030 0.000 0.860 56 V CB 1.385 33.148 31.823 -0.101 0.000 0.991 56 V HN 0.698 nan 8.190 nan 0.000 0.427 57 I N 2.397 123.058 120.570 0.152 0.000 2.525 57 I HA 0.385 4.555 4.170 0.000 0.000 0.301 57 I C 0.761 177.020 176.117 0.237 0.000 0.992 57 I CA -0.394 61.023 61.300 0.196 0.000 1.162 57 I CB 1.999 40.058 38.000 0.099 0.000 1.332 57 I HN 0.631 nan 8.210 nan 0.000 0.458 58 S N 2.568 118.383 115.700 0.193 0.000 2.563 58 S HA -0.041 4.429 4.470 0.000 0.000 0.284 58 S C 0.952 175.559 174.600 0.013 0.000 1.331 58 S CA -0.272 57.943 58.200 0.025 0.000 1.047 58 S CB 0.402 63.563 63.200 -0.066 0.000 0.859 58 S HN 0.570 nan 8.310 nan 0.000 0.514 59 D N 1.377 121.767 120.400 -0.016 0.000 2.178 59 D HA -0.002 4.638 4.640 0.000 0.000 0.201 59 D C 1.135 177.419 176.300 -0.027 0.000 0.980 59 D CA 1.504 55.496 54.000 -0.012 0.000 0.842 59 D CB -0.076 40.713 40.800 -0.019 0.000 0.948 59 D HN 0.759 nan 8.370 nan 0.000 0.472 60 T N -2.973 111.553 114.554 -0.047 0.000 2.838 60 T HA 0.450 4.800 4.350 0.000 0.000 0.292 60 T C -0.074 174.583 174.700 -0.071 0.000 1.113 60 T CA -0.941 61.125 62.100 -0.056 0.000 1.008 60 T CB 1.541 70.372 68.868 -0.061 0.000 1.259 60 T HN -0.065 nan 8.240 nan 0.000 0.520 61 C N 0.993 120.244 119.300 -0.082 0.000 2.652 61 C HA 0.541 5.001 4.460 0.000 0.000 0.412 61 C C 0.503 175.420 174.990 -0.122 0.000 1.294 61 C CA -0.558 58.396 59.018 -0.106 0.000 2.127 61 C CB -1.131 26.537 27.740 -0.120 0.000 2.691 61 C HN 0.697 nan 8.230 nan 0.000 0.615 62 I N 2.664 123.148 120.570 -0.144 0.000 2.339 62 I HA 0.413 4.583 4.170 0.000 0.000 0.290 62 I C 0.784 176.780 176.117 -0.202 0.000 0.994 62 I CA 0.364 61.573 61.300 -0.151 0.000 1.191 62 I CB 1.310 39.229 38.000 -0.136 0.000 1.343 62 I HN 0.825 nan 8.210 nan 0.000 0.458 63 A N 4.382 127.086 122.820 -0.193 0.000 2.456 63 A HA 0.754 5.074 4.320 0.000 0.000 0.237 63 A C 0.653 178.118 177.584 -0.198 0.000 1.217 63 A CA 0.341 52.215 52.037 -0.271 0.000 0.962 63 A CB 0.404 19.248 19.000 -0.261 0.000 1.079 63 A HN 0.779 nan 8.150 nan 0.000 0.536 64 G N -2.070 106.667 108.800 -0.105 0.000 2.619 64 G HA2 0.407 4.367 3.960 0.000 0.000 0.305 64 G HA3 0.407 4.367 3.960 0.000 0.000 0.305 64 G C 0.455 175.335 174.900 -0.033 0.000 1.330 64 G CA -0.154 44.928 45.100 -0.030 0.000 0.789 64 G HN -0.081 nan 8.290 nan 0.000 0.487 65 M N 0.202 119.795 119.600 -0.011 0.000 2.117 65 M HA -0.056 4.424 4.480 0.000 0.000 0.262 65 M C 2.824 179.106 176.300 -0.031 0.000 1.065 65 M CA 2.076 57.365 55.300 -0.019 0.000 1.114 65 M CB -0.364 32.232 32.600 -0.007 0.000 1.361 65 M HN 0.637 nan 8.290 nan 0.000 0.408 66 A N 0.472 123.276 122.820 -0.028 0.000 1.883 66 A HA -0.198 4.122 4.320 0.000 0.000 0.217 66 A C 1.908 179.462 177.584 -0.050 0.000 1.186 66 A CA 1.930 53.947 52.037 -0.033 0.000 0.624 66 A CB -0.709 18.276 19.000 -0.026 0.000 0.822 66 A HN 0.529 nan 8.150 nan 0.000 0.444 67 E N -0.403 119.761 120.200 -0.060 0.000 2.106 67 E HA -0.025 4.325 4.350 0.000 0.000 0.192 67 E C 2.287 178.826 176.600 -0.103 0.000 0.984 67 E CA 0.830 57.182 56.400 -0.081 0.000 0.806 67 E CB -0.271 29.375 29.700 -0.088 0.000 0.750 67 E HN 0.614 nan 8.360 nan 0.000 0.458 68 A N 1.434 124.199 122.820 -0.092 0.000 1.902 68 A HA -0.130 4.190 4.320 0.000 0.000 0.217 68 A C 2.380 179.899 177.584 -0.108 0.000 1.181 68 A CA 1.678 53.653 52.037 -0.102 0.000 0.623 68 A CB -0.643 18.316 19.000 -0.068 0.000 0.818 68 A HN 0.296 nan 8.150 nan 0.000 0.443 69 A N -0.205 122.568 122.820 -0.078 0.000 1.933 69 A HA 0.188 4.508 4.320 0.000 0.000 0.218 69 A C 2.488 180.022 177.584 -0.084 0.000 1.175 69 A CA 1.985 53.982 52.037 -0.066 0.000 0.628 69 A CB -0.947 18.028 19.000 -0.042 0.000 0.814 69 A HN 1.014 nan 8.150 nan 0.000 0.444 70 A N -0.972 121.793 122.820 -0.092 0.000 1.877 70 A HA -0.215 4.105 4.320 0.000 0.000 0.216 70 A C 2.419 179.910 177.584 -0.154 0.000 1.186 70 A CA 1.686 53.666 52.037 -0.095 0.000 0.620 70 A CB -1.475 17.476 19.000 -0.083 0.000 0.822 70 A HN 0.833 nan 8.150 nan 0.000 0.443 71 C N -0.592 118.567 119.300 -0.235 0.000 2.413 71 C HA -0.145 4.315 4.460 0.000 0.000 0.276 71 C C 2.648 177.301 174.990 -0.561 0.000 1.236 71 C CA 1.941 60.681 59.018 -0.463 0.000 1.735 71 C CB -1.053 26.370 27.740 -0.529 0.000 2.031 71 C HN 0.699 nan 8.230 nan 0.000 0.474 72 E N 0.819 120.825 120.200 -0.324 0.000 2.085 72 E HA -0.229 4.121 4.350 0.000 0.000 0.194 72 E C 2.060 178.634 176.600 -0.043 0.000 0.994 72 E CA 2.074 58.384 56.400 -0.151 0.000 0.801 72 E CB -0.555 29.108 29.700 -0.062 0.000 0.743 72 E HN 0.806 nan 8.360 nan 0.000 0.453 73 E N 0.100 120.268 120.200 -0.054 0.000 2.051 73 E HA -0.247 4.103 4.350 0.000 0.000 0.192 73 E C 2.021 178.637 176.600 0.027 0.000 0.991 73 E CA 1.509 57.906 56.400 -0.007 0.000 0.799 73 E CB -0.131 29.557 29.700 -0.020 0.000 0.748 73 E HN 0.166 nan 8.360 nan 0.000 0.449 74 K N -0.534 119.867 120.400 0.002 0.000 2.057 74 K HA -0.156 4.164 4.320 0.000 0.000 0.207 74 K C 1.916 178.672 176.600 0.260 0.000 1.049 74 K CA 1.370 57.708 56.287 0.085 0.000 0.931 74 K CB -0.151 32.378 32.500 0.048 0.000 0.714 74 K HN 0.090 nan 8.250 nan 0.000 0.440 75 F N 1.599 121.558 119.950 0.016 0.000 2.102 75 F HA -0.152 4.375 4.527 0.000 0.000 0.298 75 F C 2.791 178.604 175.800 0.023 0.000 1.105 75 F CA 1.384 59.397 58.000 0.022 0.000 1.239 75 F CB -1.354 37.663 39.000 0.028 0.000 0.991 75 F HN 0.190 nan 8.300 nan 0.000 0.474 76 S N -0.313 115.523 115.700 0.228 0.000 2.419 76 S HA -0.170 4.300 4.470 0.000 0.000 0.235 76 S C 1.839 176.493 174.600 0.089 0.000 1.019 76 S CA 1.310 59.587 58.200 0.129 0.000 0.982 76 S CB -0.990 62.267 63.200 0.095 0.000 0.789 76 S HN 0.404 nan 8.310 nan 0.000 0.490 77 S N -0.293 115.461 115.700 0.089 0.000 2.535 77 S HA 0.234 4.704 4.470 0.000 0.000 0.214 77 S C 1.405 176.037 174.600 0.053 0.000 0.980 77 S CA -0.418 57.818 58.200 0.060 0.000 0.907 77 S CB -0.043 63.188 63.200 0.052 0.000 0.790 77 S HN 0.418 nan 8.310 nan 0.000 0.510 78 Q N 1.710 121.549 119.800 0.066 0.000 2.198 78 Q HA 0.259 4.599 4.340 0.000 0.000 0.209 78 Q C -0.187 175.817 176.000 0.006 0.000 0.848 78 Q CA -0.149 55.676 55.803 0.037 0.000 0.974 78 Q CB -0.181 28.586 28.738 0.049 0.000 1.115 78 Q HN 0.775 nan 8.270 nan 0.000 0.494 79 N N 0.859 119.569 118.700 0.016 0.000 2.725 79 N HA -0.163 4.577 4.740 0.000 0.000 0.251 79 N C -0.246 175.250 175.510 -0.024 0.000 1.031 79 N CA 0.295 53.347 53.050 0.003 0.000 0.720 79 N CB -0.726 37.759 38.487 -0.003 0.000 0.930 79 N HN 0.131 nan 8.380 nan 0.000 0.543 80 V N -1.104 118.780 119.914 -0.050 0.000 2.530 80 V HA 0.652 4.772 4.120 0.000 0.000 0.282 80 V C 1.340 177.404 176.094 -0.049 0.000 1.048 80 V CA 0.733 62.960 62.300 -0.123 0.000 0.997 80 V CB 1.541 33.149 31.823 -0.359 0.000 0.987 80 V HN 0.201 nan 8.190 nan 0.000 0.477 81 G N 5.415 114.189 108.800 -0.044 0.000 2.833 81 G HA2 0.391 4.351 3.960 0.000 0.000 0.210 81 G HA3 0.391 4.351 3.960 0.000 0.000 0.210 81 G C 0.159 175.056 174.900 -0.006 0.000 1.139 81 G CA 0.602 45.696 45.100 -0.009 0.000 0.771 81 G HN 0.986 nan 8.290 nan 0.000 0.535 82 L N -0.718 120.494 121.223 -0.017 0.000 2.506 82 L HA 0.741 5.081 4.340 0.000 0.000 0.257 82 L C -0.761 176.161 176.870 0.087 0.000 0.964 82 L CA -1.334 53.533 54.840 0.045 0.000 0.836 82 L CB 0.622 42.656 42.059 -0.041 0.000 1.384 82 L HN 0.022 nan 8.230 nan 0.000 0.410 83 T N -0.696 113.975 114.554 0.196 0.000 2.908 83 T HA 0.902 5.252 4.350 0.000 0.000 0.290 83 T C -0.358 174.451 174.700 0.182 0.000 1.034 83 T CA -0.568 61.638 62.100 0.176 0.000 1.010 83 T CB 2.062 71.065 68.868 0.224 0.000 1.068 83 T HN 0.610 nan 8.240 nan 0.000 0.481 84 I N 1.923 122.578 120.570 0.142 0.000 2.468 84 I HA 0.321 4.491 4.170 0.000 0.000 0.285 84 I C -0.269 175.927 176.117 0.131 0.000 1.039 84 I CA -0.766 60.581 61.300 0.079 0.000 1.074 84 I CB 2.365 40.425 38.000 0.099 0.000 1.228 84 I HN 0.679 nan 8.210 nan 0.000 0.436 85 T N 6.042 120.671 114.554 0.125 0.000 2.767 85 T HA 0.489 4.839 4.350 0.000 0.000 0.288 85 T C -0.129 174.657 174.700 0.143 0.000 0.963 85 T CA -0.486 61.699 62.100 0.141 0.000 1.019 85 T CB 1.356 70.328 68.868 0.173 0.000 0.923 85 T HN 0.415 nan 8.240 nan 0.000 0.468 86 V N 1.138 121.098 119.914 0.077 0.000 2.715 86 V HA 1.006 5.126 4.120 0.000 0.000 0.310 86 V C -0.292 175.720 176.094 -0.137 0.000 1.054 86 V CA -0.542 61.753 62.300 -0.009 0.000 0.928 86 V CB 2.002 33.819 31.823 -0.011 0.000 1.007 86 V HN 0.846 nan 8.190 nan 0.000 0.437 87 T N 3.720 118.141 114.554 -0.222 0.000 3.087 87 T HA 0.592 4.942 4.350 0.000 0.000 0.351 87 T C -2.911 171.659 174.700 -0.216 0.000 1.520 87 T CA -0.264 61.685 62.100 -0.251 0.000 1.111 87 T CB 2.548 71.212 68.868 -0.339 0.000 1.353 87 T HN 0.710 nan 8.240 nan 0.000 0.481 88 P HA 0.333 nan 4.420 nan 0.000 0.282 88 P C 0.187 177.457 177.300 -0.049 0.000 1.373 88 P CA 0.012 63.013 63.100 -0.165 0.000 1.001 88 P CB -0.461 30.996 31.700 -0.404 0.000 1.489 89 C N -3.928 115.335 119.300 -0.062 0.000 3.335 89 C HA 0.614 5.074 4.460 0.000 0.000 0.356 89 C C -0.514 174.511 174.990 0.057 0.000 1.570 89 C CA -1.293 57.736 59.018 0.018 0.000 1.271 89 C CB 0.849 28.570 27.740 -0.031 0.000 1.873 89 C HN 0.292 nan 8.230 nan 0.000 0.439 90 W N 1.260 122.550 121.300 -0.017 0.000 2.238 90 W HA 0.563 5.223 4.660 0.000 0.000 0.321 90 W C -0.938 175.540 176.519 -0.069 0.000 1.293 90 W CA 0.102 57.474 57.345 0.045 0.000 1.204 90 W CB 1.209 30.725 29.460 0.093 0.000 1.167 90 W HN 0.931 nan 8.180 nan 0.000 0.553 91 C N 4.664 123.259 119.300 -1.175 0.000 3.213 91 C HA 0.350 4.810 4.460 0.000 0.000 0.319 91 C C -0.686 173.745 174.990 -0.931 0.000 1.386 91 C CA -0.730 57.641 59.018 -1.078 0.000 1.494 91 C CB 1.238 28.308 27.740 -1.117 0.000 1.905 91 C HN 0.504 nan 8.230 nan 0.000 0.456 92 Y N 2.100 122.114 120.300 -0.477 0.000 2.632 92 Y HA 0.345 4.895 4.550 0.000 0.000 0.336 92 Y C 1.502 177.339 175.900 -0.106 0.000 1.237 92 Y CA -0.051 57.903 58.100 -0.243 0.000 1.595 92 Y CB -0.948 37.458 38.460 -0.091 0.000 1.508 92 Y HN 1.027 nan 8.280 nan 0.000 0.480 93 G N 2.149 110.966 108.800 0.029 0.000 3.898 93 G HA2 -0.482 3.478 3.960 0.000 0.000 0.267 93 G HA3 -0.482 3.478 3.960 0.000 0.000 0.267 93 G C 1.853 176.758 174.900 0.009 0.000 0.909 93 G CA 2.257 47.360 45.100 0.005 0.000 0.790 93 G HN 0.616 nan 8.290 nan 0.000 1.411 94 S N 0.236 115.935 115.700 -0.002 0.000 2.474 94 S HA 0.000 4.470 4.470 0.000 0.000 0.235 94 S C 1.886 176.481 174.600 -0.008 0.000 0.997 94 S CA 1.822 60.004 58.200 -0.030 0.000 0.949 94 S CB -0.198 62.988 63.200 -0.024 0.000 0.766 94 S HN 0.723 nan 8.310 nan 0.000 0.517 95 E N 0.974 121.193 120.200 0.032 0.000 2.435 95 E HA -0.006 4.344 4.350 0.000 0.000 0.195 95 E C 1.693 178.297 176.600 0.006 0.000 1.029 95 E CA 1.187 57.606 56.400 0.032 0.000 0.865 95 E CB 0.014 29.766 29.700 0.086 0.000 0.833 95 E HN 0.908 nan 8.360 nan 0.000 0.510 96 T N -1.598 112.963 114.554 0.011 0.000 2.975 96 T HA 0.173 4.523 4.350 0.000 0.000 0.257 96 T C 0.960 175.682 174.700 0.036 0.000 1.003 96 T CA -0.525 61.574 62.100 -0.001 0.000 0.932 96 T CB -0.413 68.433 68.868 -0.037 0.000 1.087 96 T HN 0.131 nan 8.240 nan 0.000 0.512 97 I N 0.422 121.003 120.570 0.019 0.000 2.779 97 I HA 0.475 4.645 4.170 0.000 0.000 0.285 97 I C -0.181 175.944 176.117 0.012 0.000 1.134 97 I CA -0.630 60.671 61.300 0.003 0.000 1.398 97 I CB 0.395 38.237 38.000 -0.263 0.000 1.404 97 I HN -0.168 nan 8.210 nan 0.000 0.587 98 D N 5.773 126.239 120.400 0.111 0.000 2.344 98 D HA 0.133 4.773 4.640 0.000 0.000 0.253 98 D C 0.616 176.982 176.300 0.109 0.000 1.255 98 D CA -0.280 53.797 54.000 0.129 0.000 0.894 98 D CB 0.919 41.839 40.800 0.199 0.000 1.067 98 D HN 0.500 nan 8.370 nan 0.000 0.492 99 M N 1.818 121.446 119.600 0.047 0.000 2.618 99 M HA 0.012 4.492 4.480 0.000 0.000 0.240 99 M C 0.295 176.628 176.300 0.055 0.000 1.123 99 M CA 0.077 55.393 55.300 0.028 0.000 1.060 99 M CB -0.951 31.651 32.600 0.003 0.000 1.535 99 M HN 0.377 nan 8.290 nan 0.000 0.507 100 D N 2.839 123.287 120.400 0.079 0.000 2.472 100 D HA -0.008 4.632 4.640 0.000 0.000 0.248 100 D C -1.278 175.060 176.300 0.063 0.000 1.174 100 D CA -0.874 53.170 54.000 0.074 0.000 0.883 100 D CB 1.307 42.163 40.800 0.093 0.000 1.149 100 D HN 0.081 nan 8.370 nan 0.000 0.488 101 P HA -0.100 nan 4.420 nan 0.000 0.225 101 P C 0.911 178.198 177.300 -0.021 0.000 1.156 101 P CA 0.933 64.042 63.100 0.014 0.000 0.787 101 P CB 0.207 31.911 31.700 0.006 0.000 0.802 102 T N -2.696 111.846 114.554 -0.021 0.000 3.034 102 T HA 0.059 4.409 4.350 0.000 0.000 0.248 102 T C 1.170 175.846 174.700 -0.039 0.000 1.040 102 T CA -0.353 61.697 62.100 -0.083 0.000 1.107 102 T CB -0.567 68.232 68.868 -0.114 0.000 0.932 102 T HN 0.173 nan 8.240 nan 0.000 0.474 103 R N 2.205 122.723 120.500 0.030 0.000 2.543 103 R HA 0.435 4.775 4.340 0.000 0.000 0.277 103 R C -3.009 173.339 176.300 0.080 0.000 1.074 103 R CA -1.576 54.557 56.100 0.055 0.000 1.076 103 R CB -0.748 29.600 30.300 0.081 0.000 0.993 103 R HN 0.066 nan 8.270 nan 0.000 0.459 104 P HA 0.053 nan 4.420 nan 0.000 0.267 104 P C -1.197 176.330 177.300 0.377 0.000 1.205 104 P CA 0.084 63.283 63.100 0.165 0.000 0.765 104 P CB 0.671 32.316 31.700 -0.091 0.000 0.828 105 K N 1.881 122.535 120.400 0.425 0.000 2.422 105 K HA 0.858 5.178 4.320 0.000 0.000 0.251 105 K C -1.084 175.476 176.600 -0.067 0.000 0.933 105 K CA -0.869 55.557 56.287 0.232 0.000 0.798 105 K CB 2.678 35.230 32.500 0.088 0.000 1.238 105 K HN 0.354 nan 8.250 nan 0.000 0.428 106 A N 2.628 125.194 122.820 -0.424 0.000 2.498 106 A HA 0.799 5.119 4.320 0.000 0.000 0.298 106 A C -1.234 176.229 177.584 -0.202 0.000 1.075 106 A CA -0.789 50.899 52.037 -0.581 0.000 0.714 106 A CB 0.980 19.109 19.000 -1.452 0.000 1.299 106 A HN 0.676 nan 8.150 nan 0.000 0.407 107 I N 0.888 121.421 120.570 -0.063 0.000 2.499 107 I HA 0.317 4.487 4.170 0.000 0.000 0.288 107 I C -1.456 174.797 176.117 0.225 0.000 1.048 107 I CA -0.230 61.127 61.300 0.096 0.000 1.062 107 I CB 1.919 39.974 38.000 0.091 0.000 1.238 107 I HN 0.783 nan 8.210 nan 0.000 0.426 108 W N 6.928 128.267 121.300 0.065 0.000 2.318 108 W HA 0.698 5.358 4.660 0.000 0.000 0.315 108 W C -0.386 176.232 176.519 0.164 0.000 1.033 108 W CA -1.551 55.855 57.345 0.102 0.000 1.275 108 W CB 1.524 31.031 29.460 0.079 0.000 1.250 108 W HN 0.479 nan 8.180 nan 0.000 0.421 109 G N 5.501 114.487 108.800 0.309 0.000 2.335 109 G HA2 0.356 4.316 3.960 0.000 0.000 0.314 109 G HA3 0.356 4.316 3.960 0.000 0.000 0.314 109 G C -1.334 173.633 174.900 0.111 0.000 1.129 109 G CA -0.775 44.411 45.100 0.142 0.000 0.912 109 G HN 0.495 nan 8.290 nan 0.000 0.443 110 F N 3.118 122.909 119.950 -0.265 0.000 2.608 110 F HA 0.112 4.639 4.527 0.000 0.000 0.380 110 F C 0.782 176.652 175.800 0.116 0.000 1.083 110 F CA -0.413 57.496 58.000 -0.152 0.000 1.266 110 F CB 0.880 39.740 39.000 -0.234 0.000 1.076 110 F HN 0.420 nan 8.300 nan 0.000 0.574 111 N N 4.612 123.120 118.700 -0.319 0.000 2.868 111 N HA 0.304 5.044 4.740 0.000 0.000 0.252 111 N C -0.354 174.986 175.510 -0.284 0.000 1.130 111 N CA 0.089 53.067 53.050 -0.120 0.000 1.026 111 N CB 0.072 38.433 38.487 -0.209 0.000 1.335 111 N HN 0.787 nan 8.380 nan 0.000 0.516 112 G N -0.242 108.567 108.800 0.014 0.000 2.714 112 G HA2 0.369 4.329 3.960 0.000 0.000 0.292 112 G HA3 0.369 4.329 3.960 0.000 0.000 0.292 112 G C 0.682 175.683 174.900 0.168 0.000 1.308 112 G CA -0.357 44.837 45.100 0.157 0.000 0.964 112 G HN 0.321 nan 8.290 nan 0.000 0.484 113 T N -2.107 112.533 114.554 0.144 0.000 3.004 113 T HA 0.065 4.415 4.350 0.000 0.000 0.243 113 T C 1.662 176.424 174.700 0.105 0.000 1.020 113 T CA 1.172 63.337 62.100 0.108 0.000 1.145 113 T CB -0.112 68.803 68.868 0.079 0.000 0.876 113 T HN 0.373 nan 8.240 nan 0.000 0.449 114 E N 1.183 121.445 120.200 0.104 0.000 2.208 114 E HA 0.078 4.428 4.350 0.000 0.000 0.193 114 E C 0.769 177.424 176.600 0.091 0.000 0.988 114 E CA 0.571 57.019 56.400 0.080 0.000 0.828 114 E CB 0.018 29.755 29.700 0.062 0.000 0.763 114 E HN 0.182 nan 8.360 nan 0.000 0.478 115 R N 1.743 122.329 120.500 0.142 0.000 2.937 115 R HA 0.158 4.498 4.340 0.000 0.000 0.264 115 R C -2.233 174.201 176.300 0.224 0.000 1.334 115 R CA -2.153 54.046 56.100 0.164 0.000 1.516 115 R CB 0.001 30.422 30.300 0.202 0.000 1.187 115 R HN 0.099 nan 8.270 nan 0.000 0.609 116 P HA 0.039 nan 4.420 nan 0.000 0.238 116 P C 0.923 178.364 177.300 0.234 0.000 1.714 116 P CA 0.138 63.355 63.100 0.195 0.000 0.908 116 P CB 0.006 31.810 31.700 0.173 0.000 1.893 117 G N 1.604 110.543 108.800 0.232 0.000 2.422 117 G HA2 -0.241 3.719 3.960 0.000 0.000 0.218 117 G HA3 -0.241 3.719 3.960 0.000 0.000 0.218 117 G C 1.585 176.624 174.900 0.232 0.000 1.146 117 G CA 0.682 45.909 45.100 0.211 0.000 0.769 117 G HN 0.406 nan 8.290 nan 0.000 0.547 118 A N 0.177 123.117 122.820 0.201 0.000 2.019 118 A HA 0.101 4.421 4.320 0.000 0.000 0.219 118 A C 2.522 180.130 177.584 0.040 0.000 1.164 118 A CA 1.680 53.747 52.037 0.050 0.000 0.644 118 A CB -0.352 18.617 19.000 -0.051 0.000 0.805 118 A HN 0.267 nan 8.150 nan 0.000 0.449 119 V N -1.544 118.471 119.914 0.169 0.000 2.453 119 V HA -0.235 3.885 4.120 0.000 0.000 0.247 119 V C 2.293 178.636 176.094 0.415 0.000 1.048 119 V CA 1.863 64.306 62.300 0.238 0.000 1.049 119 V CB -1.062 30.916 31.823 0.258 0.000 0.672 119 V HN 0.739 nan 8.190 nan 0.000 0.457 120 Y N 0.387 120.865 120.300 0.297 0.000 2.184 120 Y HA -0.144 4.406 4.550 0.000 0.000 0.290 120 Y C 2.314 178.249 175.900 0.057 0.000 1.129 120 Y CA 1.388 59.552 58.100 0.107 0.000 1.144 120 Y CB -0.284 38.124 38.460 -0.086 0.000 0.995 120 Y HN 0.096 nan 8.280 nan 0.000 0.513 121 L N 0.199 121.428 121.223 0.010 0.000 1.991 121 L HA -0.366 3.974 4.340 0.000 0.000 0.221 121 L C 2.558 179.343 176.870 -0.142 0.000 1.079 121 L CA 2.254 57.046 54.840 -0.081 0.000 0.778 121 L CB -1.069 41.001 42.059 0.020 0.000 0.893 121 L HN 0.469 nan 8.230 nan 0.000 0.437 122 A N -0.770 122.003 122.820 -0.078 0.000 1.908 122 A HA -0.197 4.123 4.320 0.000 0.000 0.218 122 A C 2.368 179.928 177.584 -0.039 0.000 1.181 122 A CA 1.951 53.955 52.037 -0.055 0.000 0.627 122 A CB -0.766 18.211 19.000 -0.039 0.000 0.818 122 A HN 0.629 nan 8.150 nan 0.000 0.445 123 A N -0.331 122.477 122.820 -0.021 0.000 1.897 123 A HA 0.243 4.563 4.320 0.000 0.000 0.215 123 A C 2.506 180.004 177.584 -0.143 0.000 1.181 123 A CA 1.882 53.924 52.037 0.007 0.000 0.620 123 A CB -0.983 18.148 19.000 0.219 0.000 0.821 123 A HN 1.022 nan 8.150 nan 0.000 0.443 124 A N -0.141 122.440 122.820 -0.399 0.000 1.902 124 A HA -0.035 4.285 4.320 0.000 0.000 0.217 124 A C 2.161 179.723 177.584 -0.037 0.000 1.181 124 A CA 1.473 53.283 52.037 -0.378 0.000 0.623 124 A CB -0.624 17.936 19.000 -0.734 0.000 0.818 124 A HN 0.463 nan 8.150 nan 0.000 0.443 125 L N -0.816 120.392 121.223 -0.025 0.000 2.083 125 L HA -0.199 4.141 4.340 0.000 0.000 0.209 125 L C 3.099 180.008 176.870 0.065 0.000 1.083 125 L CA 1.021 55.894 54.840 0.055 0.000 0.752 125 L CB -0.571 41.481 42.059 -0.012 0.000 0.899 125 L HN 0.450 nan 8.230 nan 0.000 0.433 126 A N 0.093 122.925 122.820 0.019 0.000 1.902 126 A HA -0.176 4.144 4.320 0.000 0.000 0.217 126 A C 2.543 180.143 177.584 0.026 0.000 1.181 126 A CA 1.747 53.800 52.037 0.026 0.000 0.623 126 A CB -0.678 18.332 19.000 0.017 0.000 0.818 126 A HN 0.401 nan 8.150 nan 0.000 0.443 127 A N -1.230 121.585 122.820 -0.007 0.000 1.902 127 A HA -0.199 4.121 4.320 0.000 0.000 0.217 127 A C 2.080 179.635 177.584 -0.047 0.000 1.181 127 A CA 1.592 53.602 52.037 -0.046 0.000 0.623 127 A CB -0.955 17.980 19.000 -0.109 0.000 0.818 127 A HN 0.664 nan 8.150 nan 0.000 0.443 128 H N -0.062 118.994 119.070 -0.024 0.000 2.319 128 H HA -0.081 4.475 4.556 0.000 0.000 0.299 128 H C 2.513 177.845 175.328 0.007 0.000 1.092 128 H CA 1.878 57.917 56.048 -0.015 0.000 1.302 128 H CB -0.199 29.544 29.762 -0.032 0.000 1.373 128 H HN 0.492 nan 8.280 nan 0.000 0.497 129 S N 0.294 116.085 115.700 0.151 0.000 2.406 129 S HA -0.139 4.331 4.470 0.000 0.000 0.228 129 S C 2.104 176.769 174.600 0.109 0.000 1.020 129 S CA 0.841 59.122 58.200 0.135 0.000 0.965 129 S CB -0.037 63.233 63.200 0.116 0.000 0.798 129 S HN 0.465 nan 8.310 nan 0.000 0.488 130 Q N 0.998 120.837 119.800 0.066 0.000 2.230 130 Q HA 0.034 4.374 4.340 0.000 0.000 0.202 130 Q C 1.161 177.187 176.000 0.044 0.000 0.963 130 Q CA 0.992 56.821 55.803 0.043 0.000 0.866 130 Q CB 0.078 28.829 28.738 0.021 0.000 0.931 130 Q HN 0.376 nan 8.270 nan 0.000 0.452 131 K N -0.997 119.429 120.400 0.043 0.000 2.387 131 K HA 0.171 4.491 4.320 0.000 0.000 0.198 131 K C 0.493 177.135 176.600 0.070 0.000 1.022 131 K CA 0.440 56.748 56.287 0.035 0.000 1.128 131 K CB 0.767 33.264 32.500 -0.006 0.000 0.853 131 K HN 0.341 nan 8.250 nan 0.000 0.523 132 G N 2.832 111.705 108.800 0.122 0.000 2.176 132 G HA2 -0.242 3.718 3.960 0.000 0.000 0.252 132 G HA3 -0.242 3.718 3.960 0.000 0.000 0.252 132 G C 0.136 175.092 174.900 0.094 0.000 1.024 132 G CA 0.403 45.617 45.100 0.190 0.000 0.755 132 G HN 0.484 nan 8.290 nan 0.000 0.507 133 I N -2.538 118.070 120.570 0.063 0.000 2.668 133 I HA 0.443 4.613 4.170 0.000 0.000 0.276 133 I C -2.572 173.572 176.117 0.045 0.000 1.139 133 I CA -2.796 58.529 61.300 0.041 0.000 1.133 133 I CB 1.507 39.579 38.000 0.121 0.000 1.327 133 I HN -0.211 nan 8.210 nan 0.000 0.520 134 P HA 0.172 nan 4.420 nan 0.000 0.264 134 P C -0.283 176.872 177.300 -0.242 0.000 1.183 134 P CA 0.352 63.333 63.100 -0.199 0.000 0.763 134 P CB 0.928 32.447 31.700 -0.301 0.000 0.807 135 A N 2.891 125.500 122.820 -0.351 0.000 2.454 135 A HA 0.717 5.037 4.320 0.000 0.000 0.302 135 A C -1.061 176.321 177.584 -0.337 0.000 1.079 135 A CA -0.540 51.261 52.037 -0.393 0.000 0.731 135 A CB 0.758 19.245 19.000 -0.855 0.000 1.299 135 A HN 0.312 nan 8.150 nan 0.000 0.413 136 F N 0.763 120.527 119.950 -0.310 0.000 2.371 136 F HA 0.561 5.088 4.527 0.000 0.000 0.329 136 F C 1.217 176.900 175.800 -0.194 0.000 1.107 136 F CA 0.347 58.161 58.000 -0.311 0.000 1.137 136 F CB 1.745 40.511 39.000 -0.391 0.000 1.214 136 F HN 0.447 nan 8.300 nan 0.000 0.536 137 S N 2.911 118.686 115.700 0.125 0.000 2.454 137 S HA 0.709 5.179 4.470 0.000 0.000 0.306 137 S C -0.853 173.922 174.600 0.292 0.000 1.100 137 S CA -0.582 57.715 58.200 0.162 0.000 1.087 137 S CB 0.235 63.506 63.200 0.119 0.000 1.019 137 S HN 0.474 nan 8.310 nan 0.000 0.480 138 I N 5.592 126.313 120.570 0.252 0.000 2.466 138 I HA 0.325 4.495 4.170 0.000 0.000 0.279 138 I C -1.485 174.847 176.117 0.358 0.000 1.033 138 I CA -0.660 60.769 61.300 0.215 0.000 1.123 138 I CB 1.089 39.135 38.000 0.078 0.000 1.237 138 I HN 0.613 nan 8.210 nan 0.000 0.460 139 Y N 5.310 125.675 120.300 0.107 0.000 2.338 139 Y HA 0.691 5.241 4.550 0.000 0.000 0.333 139 Y C 0.356 176.266 175.900 0.018 0.000 0.968 139 Y CA -1.154 57.011 58.100 0.108 0.000 1.123 139 Y CB 1.823 40.314 38.460 0.053 0.000 1.165 139 Y HN 0.529 nan 8.280 nan 0.000 0.452 140 G N 3.512 112.159 108.800 -0.255 0.000 2.527 140 G HA2 0.074 4.034 3.960 0.000 0.000 0.248 140 G HA3 0.074 4.034 3.960 0.000 0.000 0.248 140 G C 0.104 174.649 174.900 -0.591 0.000 1.231 140 G CA -0.070 44.843 45.100 -0.313 0.000 0.838 140 G HN 0.951 nan 8.290 nan 0.000 0.570 141 H N -0.254 118.614 119.070 -0.337 0.000 2.333 141 H HA 0.028 4.584 4.556 0.000 0.000 0.302 141 H C 0.318 175.502 175.328 -0.240 0.000 1.075 141 H CA 1.512 57.397 56.048 -0.272 0.000 1.348 141 H CB 0.347 30.021 29.762 -0.147 0.000 1.393 141 H HN 0.385 nan 8.280 nan 0.000 0.509 142 D N 0.333 120.694 120.400 -0.065 0.000 2.168 142 D HA 0.162 4.802 4.640 0.000 0.000 0.246 142 D C -0.195 176.031 176.300 -0.123 0.000 1.050 142 D CA -0.418 53.539 54.000 -0.072 0.000 0.857 142 D CB 2.360 43.137 40.800 -0.039 0.000 1.169 142 D HN -0.121 nan 8.370 nan 0.000 0.453 143 V N 2.219 122.080 119.914 -0.089 0.000 2.673 143 V HA -0.039 4.081 4.120 0.000 0.000 0.303 143 V C 0.661 176.698 176.094 -0.094 0.000 1.046 143 V CA 0.320 62.565 62.300 -0.092 0.000 1.126 143 V CB 0.335 32.143 31.823 -0.024 0.000 0.934 143 V HN 0.383 nan 8.190 nan 0.000 0.487 144 Q N 2.046 121.749 119.800 -0.163 0.000 2.301 144 Q HA 0.379 4.719 4.340 0.000 0.000 0.267 144 Q C -1.114 174.944 176.000 0.096 0.000 1.035 144 Q CA -0.994 54.761 55.803 -0.081 0.000 0.856 144 Q CB 1.896 30.496 28.738 -0.230 0.000 1.337 144 Q HN 0.663 nan 8.270 nan 0.000 0.450 145 D N 0.525 121.021 120.400 0.160 0.000 2.341 145 D HA 0.112 4.752 4.640 0.000 0.000 0.245 145 D C 0.591 177.054 176.300 0.271 0.000 1.106 145 D CA 0.041 54.145 54.000 0.173 0.000 0.905 145 D CB 1.410 42.276 40.800 0.111 0.000 1.202 145 D HN 0.714 nan 8.370 nan 0.000 0.426 146 A N 2.144 125.078 122.820 0.190 0.000 2.032 146 A HA -0.234 4.086 4.320 0.000 0.000 0.221 146 A C 1.367 178.952 177.584 0.002 0.000 1.165 146 A CA 2.050 54.143 52.037 0.093 0.000 0.645 146 A CB -0.482 18.541 19.000 0.038 0.000 0.807 146 A HN 0.706 nan 8.150 nan 0.000 0.453 147 D N -1.473 118.955 120.400 0.047 0.000 2.339 147 D HA 0.065 4.705 4.640 0.000 0.000 0.217 147 D C 0.247 176.578 176.300 0.051 0.000 1.050 147 D CA -0.006 54.006 54.000 0.020 0.000 0.856 147 D CB -0.051 40.762 40.800 0.022 0.000 0.922 147 D HN 0.191 nan 8.370 nan 0.000 0.518 148 D N 0.584 121.059 120.400 0.125 0.000 2.383 148 D HA 0.047 4.687 4.640 0.000 0.000 0.252 148 D C 0.914 177.319 176.300 0.175 0.000 1.166 148 D CA 0.258 54.353 54.000 0.158 0.000 0.879 148 D CB 1.350 42.275 40.800 0.209 0.000 1.164 148 D HN 0.182 nan 8.370 nan 0.000 0.462 149 T N -0.818 113.811 114.554 0.126 0.000 3.044 149 T HA 0.133 4.483 4.350 0.000 0.000 0.260 149 T C 0.854 175.651 174.700 0.162 0.000 1.019 149 T CA -0.401 61.773 62.100 0.122 0.000 0.921 149 T CB -0.157 68.746 68.868 0.059 0.000 1.053 149 T HN 0.280 nan 8.240 nan 0.000 0.533 150 S N 1.324 117.119 115.700 0.158 0.000 2.603 150 S HA 0.608 5.078 4.470 0.000 0.000 0.268 150 S C -0.123 174.592 174.600 0.191 0.000 1.317 150 S CA -0.892 57.390 58.200 0.136 0.000 1.012 150 S CB 0.364 63.617 63.200 0.088 0.000 0.926 150 S HN 0.384 nan 8.310 nan 0.000 0.539 151 I N 2.317 122.965 120.570 0.130 0.000 2.328 151 I HA 0.328 4.498 4.170 0.000 0.000 0.287 151 I C -2.268 173.849 176.117 0.001 0.000 1.012 151 I CA -2.349 59.004 61.300 0.087 0.000 1.195 151 I CB 1.238 39.231 38.000 -0.012 0.000 1.350 151 I HN 0.474 nan 8.210 nan 0.000 0.464 152 P HA 0.055 nan 4.420 nan 0.000 0.268 152 P C 0.623 177.874 177.300 -0.081 0.000 1.208 152 P CA -0.107 62.970 63.100 -0.038 0.000 0.777 152 P CB 0.839 32.515 31.700 -0.040 0.000 0.875 153 A N 2.646 125.424 122.820 -0.071 0.000 1.892 153 A HA -0.242 4.078 4.320 0.000 0.000 0.218 153 A C 1.803 179.324 177.584 -0.105 0.000 1.188 153 A CA 2.187 54.174 52.037 -0.082 0.000 0.631 153 A CB -1.321 17.638 19.000 -0.068 0.000 0.822 153 A HN 0.724 nan 8.150 nan 0.000 0.447 154 D N -0.123 120.217 120.400 -0.099 0.000 2.178 154 D HA -0.104 4.536 4.640 0.000 0.000 0.201 154 D C 1.774 177.985 176.300 -0.149 0.000 0.980 154 D CA 1.578 55.521 54.000 -0.096 0.000 0.842 154 D CB -0.871 39.915 40.800 -0.023 0.000 0.948 154 D HN 0.263 nan 8.370 nan 0.000 0.472 155 V N 0.958 120.757 119.914 -0.191 0.000 2.379 155 V HA -0.177 3.943 4.120 0.000 0.000 0.245 155 V C 2.666 178.545 176.094 -0.359 0.000 1.044 155 V CA 1.771 63.869 62.300 -0.336 0.000 1.036 155 V CB -0.604 30.945 31.823 -0.457 0.000 0.664 155 V HN 0.255 nan 8.190 nan 0.000 0.453 156 E N 0.345 120.385 120.200 -0.267 0.000 2.051 156 E HA -0.304 4.046 4.350 0.000 0.000 0.192 156 E C 2.249 178.742 176.600 -0.178 0.000 0.991 156 E CA 1.759 58.030 56.400 -0.215 0.000 0.799 156 E CB -0.126 29.487 29.700 -0.144 0.000 0.748 156 E HN 0.711 nan 8.360 nan 0.000 0.449 157 E N 0.473 120.575 120.200 -0.164 0.000 2.058 157 E HA -0.239 4.111 4.350 0.000 0.000 0.194 157 E C 2.007 178.496 176.600 -0.185 0.000 0.997 157 E CA 1.331 57.642 56.400 -0.149 0.000 0.801 157 E CB 0.082 29.701 29.700 -0.136 0.000 0.746 157 E HN 0.157 nan 8.360 nan 0.000 0.450 158 K N 0.134 120.377 120.400 -0.262 0.000 2.097 158 K HA -0.103 4.217 4.320 0.000 0.000 0.205 158 K C 2.317 178.840 176.600 -0.128 0.000 1.050 158 K CA 0.981 57.056 56.287 -0.353 0.000 0.938 158 K CB -0.074 32.139 32.500 -0.478 0.000 0.718 158 K HN 0.197 nan 8.250 nan 0.000 0.442 159 L N 0.846 121.979 121.223 -0.150 0.000 2.017 159 L HA -0.203 4.137 4.340 0.000 0.000 0.208 159 L C 2.302 179.169 176.870 -0.005 0.000 1.073 159 L CA 1.164 55.960 54.840 -0.073 0.000 0.745 159 L CB -0.365 41.591 42.059 -0.172 0.000 0.894 159 L HN 0.184 nan 8.230 nan 0.000 0.432 160 L N -0.708 120.477 121.223 -0.064 0.000 2.046 160 L HA -0.221 4.119 4.340 0.000 0.000 0.208 160 L C 2.789 179.624 176.870 -0.057 0.000 1.077 160 L CA 1.203 56.005 54.840 -0.062 0.000 0.747 160 L CB -0.500 41.513 42.059 -0.075 0.000 0.896 160 L HN 0.252 nan 8.230 nan 0.000 0.432 161 R N -0.012 120.463 120.500 -0.042 0.000 2.081 161 R HA -0.229 4.112 4.340 0.000 0.000 0.235 161 R C 2.387 178.664 176.300 -0.038 0.000 1.131 161 R CA 1.694 57.779 56.100 -0.024 0.000 0.960 161 R CB -0.386 29.922 30.300 0.014 0.000 0.856 161 R HN 0.253 nan 8.270 nan 0.000 0.436 162 F N 0.836 120.712 119.950 -0.122 0.000 2.146 162 F HA -0.041 4.486 4.527 0.000 0.000 0.298 162 F C 2.010 177.645 175.800 -0.274 0.000 1.096 162 F CA 1.481 59.293 58.000 -0.313 0.000 1.275 162 F CB -0.511 38.304 39.000 -0.308 0.000 1.008 162 F HN 0.106 nan 8.300 nan 0.000 0.480 163 A N 0.805 123.486 122.820 -0.233 0.000 1.877 163 A HA -0.174 4.146 4.320 0.000 0.000 0.216 163 A C 2.413 179.799 177.584 -0.330 0.000 1.186 163 A CA 1.642 53.497 52.037 -0.302 0.000 0.620 163 A CB -0.933 18.014 19.000 -0.089 0.000 0.822 163 A HN 0.473 nan 8.150 nan 0.000 0.443 164 R N -0.510 119.844 120.500 -0.242 0.000 2.083 164 R HA -0.160 4.180 4.340 0.000 0.000 0.237 164 R C 2.356 178.503 176.300 -0.256 0.000 1.137 164 R CA 1.602 57.575 56.100 -0.212 0.000 0.951 164 R CB -0.395 29.811 30.300 -0.156 0.000 0.851 164 R HN 0.473 nan 8.270 nan 0.000 0.434 165 A N -0.095 122.540 122.820 -0.308 0.000 1.898 165 A HA -0.039 4.281 4.320 0.000 0.000 0.216 165 A C 2.340 179.707 177.584 -0.361 0.000 1.181 165 A CA 1.593 53.441 52.037 -0.314 0.000 0.620 165 A CB -1.145 17.666 19.000 -0.315 0.000 0.819 165 A HN 0.575 nan 8.150 nan 0.000 0.442 166 G N -0.253 108.206 108.800 -0.568 0.000 2.440 166 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 166 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 166 G C 1.568 176.286 174.900 -0.303 0.000 1.154 166 G CA 1.020 45.792 45.100 -0.547 0.000 0.767 166 G HN 0.413 nan 8.290 nan 0.000 0.552 167 L N 0.452 121.513 121.223 -0.270 0.000 2.046 167 L HA -0.069 4.271 4.340 0.000 0.000 0.208 167 L C 3.427 180.236 176.870 -0.101 0.000 1.077 167 L CA 0.989 55.734 54.840 -0.159 0.000 0.747 167 L CB -0.365 41.589 42.059 -0.175 0.000 0.896 167 L HN 0.340 nan 8.230 nan 0.000 0.432 168 A N -0.407 122.337 122.820 -0.127 0.000 1.883 168 A HA -0.187 4.133 4.320 0.000 0.000 0.217 168 A C 2.283 179.840 177.584 -0.045 0.000 1.186 168 A CA 1.966 53.952 52.037 -0.085 0.000 0.624 168 A CB -0.877 18.049 19.000 -0.123 0.000 0.822 168 A HN 0.216 nan 8.150 nan 0.000 0.444 169 V N -0.176 119.701 119.914 -0.062 0.000 2.255 169 V HA -0.278 3.842 4.120 0.000 0.000 0.247 169 V C 3.070 179.184 176.094 0.032 0.000 1.051 169 V CA 2.126 64.424 62.300 -0.002 0.000 1.018 169 V CB -1.280 30.530 31.823 -0.022 0.000 0.641 169 V HN 0.632 nan 8.190 nan 0.000 0.445 170 A N -0.619 122.200 122.820 -0.001 0.000 1.972 170 A HA -0.192 4.128 4.320 0.000 0.000 0.219 170 A C 2.431 180.028 177.584 0.022 0.000 1.169 170 A CA 2.162 54.211 52.037 0.019 0.000 0.635 170 A CB -0.572 18.424 19.000 -0.006 0.000 0.810 170 A HN 0.525 nan 8.150 nan 0.000 0.446 171 S N -0.566 115.145 115.700 0.019 0.000 2.428 171 S HA -0.038 4.432 4.470 0.000 0.000 0.230 171 S C 1.903 176.520 174.600 0.029 0.000 1.014 171 S CA 1.459 59.674 58.200 0.026 0.000 0.957 171 S CB -0.294 62.929 63.200 0.037 0.000 0.784 171 S HN 0.605 nan 8.310 nan 0.000 0.499 172 M N 0.950 120.571 119.600 0.034 0.000 2.236 172 M HA 0.054 4.534 4.480 0.000 0.000 0.266 172 M C 0.968 177.271 176.300 0.005 0.000 1.070 172 M CA 0.623 55.948 55.300 0.042 0.000 1.137 172 M CB -0.286 32.348 32.600 0.057 0.000 1.378 172 M HN 0.036 nan 8.290 nan 0.000 0.426 173 K N 1.316 121.705 120.400 -0.018 0.000 2.473 173 K HA -0.025 4.295 4.320 0.000 0.000 0.277 173 K C 0.858 177.411 176.600 -0.078 0.000 1.052 173 K CA 1.027 57.254 56.287 -0.100 0.000 1.114 173 K CB -0.019 32.453 32.500 -0.046 0.000 0.869 173 K HN 0.502 nan 8.250 nan 0.000 0.481 174 G N 3.188 111.922 108.800 -0.110 0.000 2.253 174 G HA2 -0.222 3.738 3.960 0.000 0.000 0.251 174 G HA3 -0.222 3.738 3.960 0.000 0.000 0.251 174 G C -0.044 174.842 174.900 -0.024 0.000 0.998 174 G CA 0.120 45.183 45.100 -0.062 0.000 0.621 174 G HN 0.555 nan 8.290 nan 0.000 0.524 175 K N 0.814 121.211 120.400 -0.005 0.000 2.117 175 K HA 0.708 5.028 4.320 0.000 0.000 0.240 175 K C 0.368 176.985 176.600 0.029 0.000 1.031 175 K CA -0.137 56.163 56.287 0.022 0.000 0.909 175 K CB 0.849 33.375 32.500 0.043 0.000 1.097 175 K HN 0.211 nan 8.250 nan 0.000 0.492 176 S N -0.092 115.628 115.700 0.033 0.000 2.621 176 S HA 0.347 4.817 4.470 0.000 0.000 0.302 176 S C -1.126 173.480 174.600 0.011 0.000 1.093 176 S CA -0.651 57.553 58.200 0.007 0.000 1.017 176 S CB 0.786 63.983 63.200 -0.005 0.000 1.077 176 S HN 0.485 nan 8.310 nan 0.000 0.517 177 Y N 2.192 122.368 120.300 -0.206 0.000 2.328 177 Y HA 0.605 5.155 4.550 0.000 0.000 0.337 177 Y C -1.006 174.742 175.900 -0.253 0.000 0.966 177 Y CA -1.210 56.730 58.100 -0.265 0.000 1.136 177 Y CB 0.700 38.754 38.460 -0.677 0.000 1.170 177 Y HN 0.508 nan 8.280 nan 0.000 0.470 178 L N 6.375 127.123 121.223 -0.791 0.000 2.261 178 L HA 0.414 4.754 4.340 0.000 0.000 0.289 178 L C -0.228 176.185 176.870 -0.761 0.000 1.059 178 L CA 0.244 54.716 54.840 -0.614 0.000 0.816 178 L CB 0.880 42.719 42.059 -0.368 0.000 1.191 178 L HN 0.674 nan 8.230 nan 0.000 0.431 179 S N 6.395 121.825 115.700 -0.451 0.000 2.642 179 S HA 0.303 4.773 4.470 0.000 0.000 0.309 179 S C -0.076 174.445 174.600 -0.132 0.000 1.125 179 S CA -0.598 57.492 58.200 -0.183 0.000 1.055 179 S CB -0.396 62.812 63.200 0.014 0.000 1.157 179 S HN 0.682 nan 8.310 nan 0.000 0.513 180 L N 6.109 127.268 121.223 -0.106 0.000 2.375 180 L HA 0.524 4.864 4.340 0.000 0.000 0.276 180 L C 0.802 177.672 176.870 0.000 0.000 1.162 180 L CA 0.412 55.235 54.840 -0.028 0.000 0.991 180 L CB -0.737 41.348 42.059 0.043 0.000 1.315 180 L HN 0.995 nan 8.230 nan 0.000 0.431 181 G N 2.212 111.011 108.800 -0.002 0.000 2.422 181 G HA2 0.005 3.965 3.960 0.000 0.000 0.607 181 G HA3 0.005 3.965 3.960 0.000 0.000 0.607 181 G C -0.273 174.641 174.900 0.024 0.000 1.270 181 G CA -0.438 44.662 45.100 0.001 0.000 0.992 181 G HN 0.759 nan 8.290 nan 0.000 0.499 182 G N -1.632 107.190 108.800 0.036 0.000 3.387 182 G HA2 0.691 4.651 3.960 0.000 0.000 0.194 182 G HA3 0.691 4.651 3.960 0.000 0.000 0.194 182 G C -0.009 174.919 174.900 0.046 0.000 1.417 182 G CA 0.432 45.567 45.100 0.059 0.000 0.777 182 G HN 1.539 nan 8.290 nan 0.000 0.721 183 V N 1.088 121.031 119.914 0.049 0.000 2.614 183 V HA 0.484 4.604 4.120 0.000 0.000 0.291 183 V C 0.330 176.416 176.094 -0.014 0.000 1.049 183 V CA -0.228 62.090 62.300 0.031 0.000 1.038 183 V CB 1.241 33.087 31.823 0.038 0.000 0.980 183 V HN 0.458 nan 8.190 nan 0.000 0.481 184 S N 5.607 121.291 115.700 -0.026 0.000 2.498 184 S HA 0.527 4.997 4.470 0.000 0.000 0.324 184 S C 0.252 174.823 174.600 -0.048 0.000 1.071 184 S CA -0.574 57.584 58.200 -0.071 0.000 1.113 184 S CB -0.183 62.980 63.200 -0.061 0.000 0.976 184 S HN 0.737 nan 8.310 nan 0.000 0.462 185 M N 3.822 123.378 119.600 -0.073 0.000 2.206 185 M HA -0.226 4.255 4.480 0.000 0.000 0.197 185 M C 1.026 177.314 176.300 -0.020 0.000 0.375 185 M CA 0.952 56.226 55.300 -0.043 0.000 0.410 185 M CB -2.012 30.568 32.600 -0.034 0.000 1.204 185 M HN 1.099 nan 8.290 nan 0.000 0.932 186 G N 0.062 108.854 108.800 -0.012 0.000 2.187 186 G HA2 -0.288 3.672 3.960 0.000 0.000 0.261 186 G HA3 -0.288 3.672 3.960 0.000 0.000 0.261 186 G C 0.088 174.978 174.900 -0.016 0.000 1.000 186 G CA 0.401 45.497 45.100 -0.008 0.000 0.718 186 G HN 0.697 nan 8.290 nan 0.000 0.519 187 I N 1.054 121.615 120.570 -0.016 0.000 2.494 187 I HA 0.268 4.438 4.170 0.000 0.000 0.289 187 I C 2.020 178.123 176.117 -0.022 0.000 1.106 187 I CA 0.165 61.448 61.300 -0.028 0.000 1.369 187 I CB 0.770 38.764 38.000 -0.011 0.000 1.410 187 I HN 0.225 nan 8.210 nan 0.000 0.523 188 A N 6.044 128.838 122.820 -0.044 0.000 1.915 188 A HA -0.228 4.092 4.320 0.000 0.000 0.220 188 A C 2.280 179.842 177.584 -0.037 0.000 1.198 188 A CA 2.296 54.306 52.037 -0.046 0.000 0.647 188 A CB -1.192 17.764 19.000 -0.074 0.000 0.825 188 A HN 0.881 nan 8.150 nan 0.000 0.456 189 G N -0.695 108.080 108.800 -0.041 0.000 2.498 189 G HA2 -0.117 3.843 3.960 0.000 0.000 0.219 189 G HA3 -0.117 3.843 3.960 0.000 0.000 0.219 189 G C 1.682 176.605 174.900 0.039 0.000 1.119 189 G CA 1.601 46.689 45.100 -0.021 0.000 0.766 189 G HN 1.003 nan 8.290 nan 0.000 0.552 190 S N -0.328 115.404 115.700 0.053 0.000 2.558 190 S HA 0.250 4.720 4.470 0.000 0.000 0.217 190 S C 1.012 175.657 174.600 0.075 0.000 0.975 190 S CA -0.385 57.863 58.200 0.080 0.000 0.912 190 S CB -0.080 63.161 63.200 0.068 0.000 0.776 190 S HN 0.228 nan 8.310 nan 0.000 0.526 191 I N 3.455 124.059 120.570 0.056 0.000 2.206 191 I HA 0.175 4.345 4.170 0.000 0.000 0.292 191 I C -0.378 175.799 176.117 0.099 0.000 1.156 191 I CA -0.638 60.702 61.300 0.067 0.000 1.356 191 I CB 0.320 38.344 38.000 0.040 0.000 1.494 191 I HN 0.004 nan 8.210 nan 0.000 0.601 192 V N 3.967 123.965 119.914 0.140 0.000 2.555 192 V HA -0.148 3.972 4.120 0.000 0.000 0.299 192 V C 0.780 177.045 176.094 0.285 0.000 1.012 192 V CA 0.560 62.972 62.300 0.186 0.000 1.180 192 V CB -0.010 31.897 31.823 0.141 0.000 0.887 192 V HN 0.588 nan 8.190 nan 0.000 0.476 193 D N 4.164 124.749 120.400 0.308 0.000 2.441 193 D HA 0.141 4.781 4.640 0.000 0.000 0.221 193 D C 1.003 177.603 176.300 0.501 0.000 1.156 193 D CA -0.302 53.904 54.000 0.343 0.000 0.896 193 D CB 0.664 41.592 40.800 0.213 0.000 1.028 193 D HN 0.593 nan 8.370 nan 0.000 0.509 194 H N 2.384 121.612 119.070 0.264 0.000 2.352 194 H HA -0.125 4.431 4.556 0.000 0.000 0.299 194 H C 1.627 177.129 175.328 0.291 0.000 1.097 194 H CA 1.542 57.740 56.048 0.251 0.000 1.311 194 H CB -0.017 29.830 29.762 0.143 0.000 1.377 194 H HN 0.421 nan 8.280 nan 0.000 0.504 195 N N -0.113 118.825 118.700 0.397 0.000 2.166 195 N HA -0.168 4.572 4.740 0.000 0.000 0.186 195 N C 1.708 177.485 175.510 0.445 0.000 1.019 195 N CA 0.911 54.173 53.050 0.353 0.000 0.856 195 N CB -0.300 38.373 38.487 0.311 0.000 0.993 195 N HN 0.255 nan 8.380 nan 0.000 0.426 196 F N 0.101 120.226 119.950 0.291 0.000 2.102 196 F HA -0.076 4.451 4.527 0.000 0.000 0.298 196 F C 1.610 177.536 175.800 0.210 0.000 1.105 196 F CA 1.366 59.490 58.000 0.207 0.000 1.239 196 F CB -0.770 38.125 39.000 -0.176 0.000 0.991 196 F HN 0.009 nan 8.300 nan 0.000 0.474 197 F N 1.239 121.110 119.950 -0.132 0.000 2.134 197 F HA -0.162 4.365 4.527 0.000 0.000 0.299 197 F C 2.458 178.185 175.800 -0.122 0.000 1.097 197 F CA 2.055 59.904 58.000 -0.252 0.000 1.264 197 F CB -0.754 38.178 39.000 -0.113 0.000 1.001 197 F HN 0.065 nan 8.300 nan 0.000 0.479 198 E N -0.593 119.717 120.200 0.183 0.000 2.046 198 E HA -0.134 4.216 4.350 0.000 0.000 0.190 198 E C 2.303 178.958 176.600 0.092 0.000 0.982 198 E CA 1.532 57.995 56.400 0.106 0.000 0.800 198 E CB -0.275 29.505 29.700 0.133 0.000 0.756 198 E HN 0.229 nan 8.360 nan 0.000 0.449 199 S N -0.188 115.607 115.700 0.159 0.000 2.395 199 S HA -0.042 4.428 4.470 0.000 0.000 0.225 199 S C 1.484 176.105 174.600 0.035 0.000 1.027 199 S CA 0.455 58.696 58.200 0.068 0.000 0.965 199 S CB -0.069 63.084 63.200 -0.078 0.000 0.812 199 S HN 0.381 nan 8.310 nan 0.000 0.482 200 W N 1.051 122.347 121.300 -0.006 0.000 2.580 200 W HA 0.298 4.958 4.660 0.000 0.000 0.287 200 W C 1.458 178.001 176.519 0.039 0.000 1.175 200 W CA 0.377 57.704 57.345 -0.031 0.000 1.409 200 W CB -0.223 29.117 29.460 -0.199 0.000 1.101 200 W HN 0.258 nan 8.180 nan 0.000 0.558 201 L N -0.234 121.037 121.223 0.080 0.000 2.554 201 L HA 0.322 4.662 4.340 0.000 0.000 0.225 201 L C 1.568 178.398 176.870 -0.067 0.000 1.104 201 L CA 0.645 55.509 54.840 0.041 0.000 0.866 201 L CB -0.787 41.182 42.059 -0.151 0.000 1.047 201 L HN 0.087 nan 8.230 nan 0.000 0.468 202 G N 1.029 109.658 108.800 -0.286 0.000 2.198 202 G HA2 -0.296 3.664 3.960 0.000 0.000 0.260 202 G HA3 -0.296 3.664 3.960 0.000 0.000 0.260 202 G C 0.108 174.811 174.900 -0.329 0.000 1.025 202 G CA 0.461 45.089 45.100 -0.786 0.000 0.769 202 G HN 0.269 nan 8.290 nan 0.000 0.507 203 M N -1.197 118.345 119.600 -0.097 0.000 2.792 203 M HA 0.633 5.113 4.480 0.000 0.000 0.294 203 M C 0.547 176.863 176.300 0.026 0.000 1.215 203 M CA -0.570 54.736 55.300 0.009 0.000 0.883 203 M CB 1.507 34.200 32.600 0.156 0.000 1.620 203 M HN 0.049 nan 8.290 nan 0.000 0.511 204 K N 0.184 120.589 120.400 0.008 0.000 2.340 204 K HA 0.732 5.052 4.320 0.000 0.000 0.244 204 K C -1.595 174.946 176.600 -0.098 0.000 0.973 204 K CA -0.891 55.387 56.287 -0.014 0.000 0.828 204 K CB 2.542 35.039 32.500 -0.004 0.000 1.226 204 K HN 0.323 nan 8.250 nan 0.000 0.437 205 V N 1.948 121.769 119.914 -0.156 0.000 2.495 205 V HA 0.234 4.354 4.120 0.000 0.000 0.298 205 V C -0.800 175.194 176.094 -0.167 0.000 1.031 205 V CA -0.694 61.424 62.300 -0.302 0.000 0.871 205 V CB 1.479 32.853 31.823 -0.747 0.000 0.988 205 V HN 0.665 nan 8.190 nan 0.000 0.432 206 Q N 3.723 123.408 119.800 -0.191 0.000 2.341 206 Q HA 0.718 5.058 4.340 0.000 0.000 0.268 206 Q C -0.566 175.294 176.000 -0.233 0.000 1.013 206 Q CA -0.195 55.484 55.803 -0.207 0.000 0.798 206 Q CB 1.664 30.201 28.738 -0.335 0.000 1.253 206 Q HN 0.947 nan 8.270 nan 0.000 0.457 207 A N 3.511 126.257 122.820 -0.123 0.000 2.290 207 A HA 0.755 5.075 4.320 0.000 0.000 0.310 207 A C -1.021 176.482 177.584 -0.136 0.000 1.202 207 A CA -0.512 51.477 52.037 -0.080 0.000 0.837 207 A CB 0.986 20.015 19.000 0.049 0.000 1.139 207 A HN 0.576 nan 8.150 nan 0.000 0.509 208 V N 3.492 123.326 119.914 -0.132 0.000 2.623 208 V HA 0.220 4.340 4.120 0.000 0.000 0.304 208 V C -0.376 175.708 176.094 -0.016 0.000 1.054 208 V CA -0.862 61.377 62.300 -0.101 0.000 0.882 208 V CB 1.822 33.541 31.823 -0.173 0.000 1.002 208 V HN 1.040 nan 8.190 nan 0.000 0.424 209 D N 3.889 124.306 120.400 0.028 0.000 2.372 209 D HA 0.165 4.805 4.640 0.000 0.000 0.243 209 D C 1.069 177.433 176.300 0.106 0.000 1.121 209 D CA -0.292 53.751 54.000 0.071 0.000 0.898 209 D CB 1.427 42.275 40.800 0.080 0.000 1.202 209 D HN 0.512 nan 8.370 nan 0.000 0.428 210 M N 1.576 121.270 119.600 0.157 0.000 2.446 210 M HA -0.141 4.339 4.480 0.000 0.000 0.263 210 M C 2.026 178.525 176.300 0.332 0.000 1.066 210 M CA 1.038 56.477 55.300 0.231 0.000 1.087 210 M CB -0.305 32.491 32.600 0.326 0.000 1.406 210 M HN 0.494 nan 8.290 nan 0.000 0.459 211 T N -1.878 112.840 114.554 0.273 0.000 2.849 211 T HA -0.181 4.169 4.350 0.000 0.000 0.270 211 T C 1.461 176.276 174.700 0.192 0.000 1.066 211 T CA 1.557 63.806 62.100 0.248 0.000 1.130 211 T CB -0.325 68.645 68.868 0.169 0.000 0.864 211 T HN 0.345 nan 8.240 nan 0.000 0.481 212 E N 1.170 121.460 120.200 0.152 0.000 2.153 212 E HA -0.007 4.343 4.350 0.000 0.000 0.194 212 E C 1.965 178.632 176.600 0.111 0.000 0.988 212 E CA 0.709 57.178 56.400 0.115 0.000 0.811 212 E CB -0.683 29.075 29.700 0.097 0.000 0.746 212 E HN 0.557 nan 8.360 nan 0.000 0.466 213 L N -0.141 121.155 121.223 0.121 0.000 2.072 213 L HA -0.098 4.242 4.340 0.000 0.000 0.205 213 L C 2.539 179.518 176.870 0.180 0.000 1.079 213 L CA 1.353 56.236 54.840 0.072 0.000 0.752 213 L CB -0.207 41.781 42.059 -0.118 0.000 0.906 213 L HN 0.145 nan 8.230 nan 0.000 0.436 214 R N 0.279 120.958 120.500 0.298 0.000 2.105 214 R HA -0.220 4.120 4.340 0.000 0.000 0.239 214 R C 2.383 178.731 176.300 0.080 0.000 1.135 214 R CA 1.678 57.871 56.100 0.154 0.000 0.967 214 R CB -0.397 29.951 30.300 0.080 0.000 0.861 214 R HN 0.227 nan 8.270 nan 0.000 0.442 215 R N -0.142 120.415 120.500 0.095 0.000 2.075 215 R HA -0.060 4.280 4.340 0.000 0.000 0.232 215 R C 1.949 178.289 176.300 0.067 0.000 1.126 215 R CA 1.416 57.557 56.100 0.068 0.000 0.963 215 R CB -0.044 30.296 30.300 0.067 0.000 0.858 215 R HN 0.159 nan 8.270 nan 0.000 0.435 216 R N 0.308 120.857 120.500 0.082 0.000 2.096 216 R HA -0.102 4.238 4.340 0.000 0.000 0.235 216 R C 2.285 178.686 176.300 0.168 0.000 1.127 216 R CA 1.209 57.368 56.100 0.099 0.000 0.968 216 R CB -0.525 29.831 30.300 0.094 0.000 0.861 216 R HN 0.364 nan 8.270 nan 0.000 0.440 217 I N 1.203 121.862 120.570 0.148 0.000 2.233 217 I HA -0.212 3.958 4.170 0.000 0.000 0.243 217 I C 1.605 177.820 176.117 0.163 0.000 1.093 217 I CA 1.285 62.693 61.300 0.181 0.000 1.380 217 I CB -0.322 37.725 38.000 0.080 0.000 1.067 217 I HN -0.005 nan 8.210 nan 0.000 0.413 218 D N 0.509 120.955 120.400 0.076 0.000 2.178 218 D HA -0.165 4.475 4.640 0.000 0.000 0.202 218 D C 1.839 178.158 176.300 0.032 0.000 0.974 218 D CA 1.170 55.196 54.000 0.044 0.000 0.841 218 D CB -0.148 40.661 40.800 0.016 0.000 0.953 218 D HN 0.409 nan 8.370 nan 0.000 0.478 219 Q N -0.104 119.710 119.800 0.023 0.000 2.246 219 Q HA 0.099 4.439 4.340 0.000 0.000 0.202 219 Q C -0.301 175.647 176.000 -0.087 0.000 0.883 219 Q CA -0.113 55.678 55.803 -0.020 0.000 0.952 219 Q CB 0.437 29.167 28.738 -0.013 0.000 1.078 219 Q HN -0.087 nan 8.270 nan 0.000 0.493 220 K N 0.187 120.513 120.400 -0.123 0.000 3.071 220 K HA -0.181 4.139 4.320 0.000 0.000 0.265 220 K C -0.698 175.574 176.600 -0.547 0.000 1.060 220 K CA 0.545 56.538 56.287 -0.491 0.000 0.767 220 K CB -1.765 30.489 32.500 -0.409 0.000 1.241 220 K HN 0.343 nan 8.250 nan 0.000 0.486 221 I N 2.015 122.448 120.570 -0.229 0.000 2.204 221 I HA 0.142 4.312 4.170 0.000 0.000 0.291 221 I C 0.021 176.140 176.117 0.003 0.000 1.153 221 I CA -0.512 60.720 61.300 -0.113 0.000 1.546 221 I CB -0.787 37.204 38.000 -0.016 0.000 1.490 221 I HN 0.248 nan 8.210 nan 0.000 0.697 222 Y N 0.717 120.998 120.300 -0.032 0.000 2.814 222 Y HA 0.378 4.928 4.550 0.000 0.000 0.348 222 Y C -1.127 174.752 175.900 -0.034 0.000 1.245 222 Y CA -1.880 56.199 58.100 -0.035 0.000 1.086 222 Y CB 0.392 38.827 38.460 -0.041 0.000 1.373 222 Y HN -0.018 nan 8.280 nan 0.000 0.451 223 D N 1.655 122.215 120.400 0.267 0.000 2.336 223 D HA 0.156 4.796 4.640 0.000 0.000 0.249 223 D C 0.523 176.963 176.300 0.234 0.000 1.213 223 D CA 0.323 54.415 54.000 0.152 0.000 0.870 223 D CB 1.015 41.875 40.800 0.101 0.000 1.076 223 D HN 0.735 nan 8.370 nan 0.000 0.483 224 E N 2.408 122.682 120.200 0.125 0.000 2.106 224 E HA -0.174 4.176 4.350 0.000 0.000 0.192 224 E C 1.696 178.333 176.600 0.063 0.000 0.984 224 E CA 0.903 57.386 56.400 0.139 0.000 0.806 224 E CB 0.133 29.854 29.700 0.034 0.000 0.750 224 E HN 0.590 nan 8.360 nan 0.000 0.458 225 A N 1.502 124.340 122.820 0.030 0.000 1.933 225 A HA -0.238 4.082 4.320 0.000 0.000 0.218 225 A C 2.034 179.606 177.584 -0.019 0.000 1.175 225 A CA 1.477 53.517 52.037 0.005 0.000 0.628 225 A CB -0.374 18.631 19.000 0.009 0.000 0.814 225 A HN 0.219 nan 8.150 nan 0.000 0.444 226 E N -0.692 119.503 120.200 -0.010 0.000 2.106 226 E HA -0.168 4.182 4.350 0.000 0.000 0.192 226 E C 1.890 178.344 176.600 -0.242 0.000 0.984 226 E CA 1.076 57.438 56.400 -0.064 0.000 0.806 226 E CB -0.143 29.573 29.700 0.026 0.000 0.750 226 E HN 0.450 nan 8.360 nan 0.000 0.458 227 L N 1.741 122.852 121.223 -0.186 0.000 2.017 227 L HA -0.198 4.142 4.340 0.000 0.000 0.208 227 L C 1.836 178.551 176.870 -0.259 0.000 1.073 227 L CA 1.935 56.604 54.840 -0.285 0.000 0.745 227 L CB -0.485 41.467 42.059 -0.179 0.000 0.894 227 L HN 0.113 nan 8.230 nan 0.000 0.432 228 E N -0.844 119.270 120.200 -0.144 0.000 2.070 228 E HA -0.339 4.011 4.350 0.000 0.000 0.197 228 E C 2.219 178.736 176.600 -0.139 0.000 1.004 228 E CA 1.972 58.305 56.400 -0.111 0.000 0.805 228 E CB -0.370 29.296 29.700 -0.058 0.000 0.744 228 E HN 0.566 nan 8.360 nan 0.000 0.451 229 M N 0.384 119.894 119.600 -0.150 0.000 2.159 229 M HA -0.160 4.320 4.480 0.000 0.000 0.263 229 M C 2.247 178.416 176.300 -0.219 0.000 1.063 229 M CA 1.569 56.794 55.300 -0.124 0.000 1.110 229 M CB -0.014 32.545 32.600 -0.069 0.000 1.374 229 M HN 0.156 nan 8.290 nan 0.000 0.411 230 A N 0.404 122.879 122.820 -0.574 0.000 1.873 230 A HA -0.136 4.184 4.320 0.000 0.000 0.215 230 A C 1.977 179.344 177.584 -0.362 0.000 1.186 230 A CA 1.401 52.904 52.037 -0.890 0.000 0.616 230 A CB -0.960 17.046 19.000 -1.657 0.000 0.823 230 A HN 0.558 nan 8.150 nan 0.000 0.442 231 L N -0.746 120.283 121.223 -0.324 0.000 2.046 231 L HA -0.205 4.135 4.340 0.000 0.000 0.208 231 L C 3.126 179.904 176.870 -0.153 0.000 1.077 231 L CA 1.040 55.739 54.840 -0.234 0.000 0.747 231 L CB -0.564 41.381 42.059 -0.189 0.000 0.896 231 L HN 0.451 nan 8.230 nan 0.000 0.432 232 A N -0.491 122.278 122.820 -0.084 0.000 1.883 232 A HA -0.297 4.023 4.320 0.000 0.000 0.217 232 A C 2.007 179.609 177.584 0.031 0.000 1.186 232 A CA 1.856 53.880 52.037 -0.021 0.000 0.624 232 A CB -1.172 17.836 19.000 0.013 0.000 0.822 232 A HN 0.636 nan 8.150 nan 0.000 0.444 233 W N 0.611 121.836 121.300 -0.125 0.000 2.358 233 W HA -0.129 4.531 4.660 0.000 0.000 0.303 233 W C 2.451 178.849 176.519 -0.201 0.000 1.208 233 W CA 2.292 59.597 57.345 -0.067 0.000 1.274 233 W CB -0.273 29.229 29.460 0.070 0.000 1.138 233 W HN 0.365 nan 8.180 nan 0.000 0.515 234 A N 0.229 122.853 122.820 -0.327 0.000 1.877 234 A HA -0.225 4.095 4.320 0.000 0.000 0.216 234 A C 1.792 178.970 177.584 -0.677 0.000 1.186 234 A CA 2.088 53.464 52.037 -1.102 0.000 0.620 234 A CB -1.125 17.155 19.000 -1.201 0.000 0.822 234 A HN 0.310 nan 8.150 nan 0.000 0.443 235 D N -0.444 119.757 120.400 -0.332 0.000 2.123 235 D HA -0.162 4.478 4.640 0.000 0.000 0.196 235 D C 1.890 178.127 176.300 -0.106 0.000 0.992 235 D CA 1.823 55.735 54.000 -0.146 0.000 0.833 235 D CB -0.178 40.569 40.800 -0.089 0.000 0.954 235 D HN 0.463 nan 8.370 nan 0.000 0.455 236 K N 0.538 120.858 120.400 -0.133 0.000 2.288 236 K HA 0.017 4.337 4.320 0.000 0.000 0.201 236 K C 1.209 177.733 176.600 -0.126 0.000 1.048 236 K CA 1.009 57.240 56.287 -0.094 0.000 0.956 236 K CB 0.235 32.702 32.500 -0.054 0.000 0.746 236 K HN 0.059 nan 8.250 nan 0.000 0.461 237 N N -1.192 117.371 118.700 -0.228 0.000 2.266 237 N HA 0.035 4.775 4.740 0.000 0.000 0.217 237 N C -0.760 174.763 175.510 0.022 0.000 1.211 237 N CA -0.100 52.846 53.050 -0.174 0.000 0.881 237 N CB 0.408 38.645 38.487 -0.416 0.000 1.153 237 N HN -0.025 nan 8.380 nan 0.000 0.489 238 F N 2.709 122.446 119.950 -0.356 0.000 2.541 238 F HA 0.204 4.731 4.527 0.000 0.000 0.378 238 F C 1.107 176.710 175.800 -0.327 0.000 1.068 238 F CA -0.332 57.432 58.000 -0.393 0.000 1.199 238 F CB 0.084 38.602 39.000 -0.803 0.000 1.091 238 F HN -0.323 nan 8.300 nan 0.000 0.555 239 R N 3.507 123.980 120.500 -0.045 0.000 2.229 239 R HA 0.328 4.668 4.340 0.000 0.000 0.328 239 R C -1.180 175.065 176.300 -0.092 0.000 1.009 239 R CA -0.507 55.575 56.100 -0.030 0.000 0.864 239 R CB 0.615 30.917 30.300 0.004 0.000 1.085 239 R HN 0.440 nan 8.270 nan 0.000 0.453 240 Y N 0.691 121.098 120.300 0.178 0.000 2.335 240 Y HA 0.444 4.994 4.550 0.000 0.000 0.323 240 Y C 1.201 177.190 175.900 0.148 0.000 1.224 240 Y CA -0.097 58.118 58.100 0.191 0.000 1.241 240 Y CB 1.612 40.174 38.460 0.171 0.000 1.235 240 Y HN 0.639 nan 8.280 nan 0.000 0.492 241 G N 0.742 109.741 108.800 0.331 0.000 2.521 241 G HA2 0.352 4.312 3.960 0.000 0.000 0.323 241 G HA3 0.352 4.312 3.960 0.000 0.000 0.323 241 G C -0.916 174.108 174.900 0.208 0.000 1.211 241 G CA -0.851 44.376 45.100 0.212 0.000 0.979 241 G HN 0.448 nan 8.290 nan 0.000 0.490 242 E N 0.695 120.981 120.200 0.143 0.000 2.384 242 E HA 0.040 4.390 4.350 0.000 0.000 0.266 242 E C -0.496 176.178 176.600 0.124 0.000 1.012 242 E CA -0.103 56.369 56.400 0.119 0.000 0.901 242 E CB 1.417 31.168 29.700 0.085 0.000 0.967 242 E HN 0.407 nan 8.360 nan 0.000 0.435 243 D N 2.528 122.999 120.400 0.119 0.000 2.339 243 D HA -0.016 4.624 4.640 0.000 0.000 0.256 243 D C 0.142 176.496 176.300 0.090 0.000 1.214 243 D CA 0.087 54.156 54.000 0.114 0.000 0.877 243 D CB 0.486 41.348 40.800 0.104 0.000 1.111 243 D HN 0.259 nan 8.370 nan 0.000 0.478 244 E N 2.770 123.023 120.200 0.089 0.000 2.419 244 E HA 0.056 4.406 4.350 0.000 0.000 0.190 244 E C -0.020 176.632 176.600 0.087 0.000 1.040 244 E CA -0.373 56.070 56.400 0.073 0.000 0.900 244 E CB 0.222 29.953 29.700 0.052 0.000 1.054 244 E HN 0.398 nan 8.360 nan 0.000 0.462 245 N N 2.115 120.878 118.700 0.106 0.000 2.467 245 N HA 0.019 4.759 4.740 0.000 0.000 0.262 245 N C 0.224 175.804 175.510 0.118 0.000 1.234 245 N CA -0.109 53.024 53.050 0.139 0.000 0.952 245 N CB 0.598 39.184 38.487 0.165 0.000 1.158 245 N HN 0.101 nan 8.380 nan 0.000 0.463 246 N N 1.306 120.099 118.700 0.155 0.000 2.374 246 N HA -0.083 4.657 4.740 0.000 0.000 0.241 246 N C 0.987 176.503 175.510 0.010 0.000 1.262 246 N CA 0.049 53.148 53.050 0.081 0.000 0.880 246 N CB 0.622 39.168 38.487 0.098 0.000 1.105 246 N HN 0.295 nan 8.380 nan 0.000 0.438 247 K N 2.618 122.997 120.400 -0.035 0.000 2.052 247 K HA -0.237 4.083 4.320 0.000 0.000 0.215 247 K C 1.646 178.185 176.600 -0.102 0.000 1.053 247 K CA 1.913 58.167 56.287 -0.055 0.000 0.934 247 K CB -0.375 32.091 32.500 -0.058 0.000 0.717 247 K HN 0.673 nan 8.250 nan 0.000 0.450 248 Q N -0.917 118.752 119.800 -0.218 0.000 2.369 248 Q HA -0.080 4.260 4.340 0.000 0.000 0.206 248 Q C 1.340 177.155 176.000 -0.309 0.000 0.963 248 Q CA 0.776 56.398 55.803 -0.302 0.000 0.894 248 Q CB -0.014 28.465 28.738 -0.431 0.000 0.965 248 Q HN 0.356 nan 8.270 nan 0.000 0.475 249 Y N 0.907 121.133 120.300 -0.123 0.000 2.482 249 Y HA 0.101 4.651 4.550 0.000 0.000 0.270 249 Y C 0.458 176.247 175.900 -0.185 0.000 1.152 249 Y CA -0.134 57.814 58.100 -0.252 0.000 1.292 249 Y CB 0.144 38.418 38.460 -0.309 0.000 1.070 249 Y HN 0.065 nan 8.280 nan 0.000 0.528 250 Q N 1.959 121.783 119.800 0.040 0.000 2.352 250 Q HA 0.272 4.612 4.340 0.000 0.000 0.260 250 Q C -0.020 175.993 176.000 0.021 0.000 0.976 250 Q CA -0.201 55.624 55.803 0.038 0.000 0.881 250 Q CB 0.848 29.607 28.738 0.034 0.000 1.235 250 Q HN 0.349 nan 8.270 nan 0.000 0.419 251 R N 0.790 121.308 120.500 0.031 0.000 2.778 251 R HA 0.495 4.835 4.340 0.000 0.000 0.277 251 R C -0.267 176.050 176.300 0.030 0.000 0.977 251 R CA -0.554 55.563 56.100 0.028 0.000 0.950 251 R CB 0.823 31.146 30.300 0.038 0.000 1.165 251 R HN 0.839 nan 8.270 nan 0.000 0.474 252 N N 0.344 119.058 118.700 0.024 0.000 2.451 252 N HA -0.023 4.717 4.740 0.000 0.000 0.308 252 N C -0.242 175.276 175.510 0.013 0.000 0.699 252 N CA 0.058 53.119 53.050 0.018 0.000 1.060 252 N CB -0.086 38.409 38.487 0.013 0.000 1.865 252 N HN 0.575 nan 8.380 nan 0.000 1.333 253 A N 1.319 124.145 122.820 0.011 0.000 3.132 253 A HA 0.071 4.391 4.320 0.000 0.000 0.288 253 A C 0.626 178.216 177.584 0.010 0.000 1.959 253 A CA 1.207 53.249 52.037 0.008 0.000 1.374 253 A CB -1.711 17.293 19.000 0.007 0.000 0.918 253 A HN 0.587 nan 8.150 nan 0.000 0.594 254 E N -0.121 120.084 120.200 0.007 0.000 3.065 254 E HA -0.362 3.988 4.350 0.000 0.000 0.277 254 E C 0.898 177.510 176.600 0.020 0.000 1.008 254 E CA 1.659 58.064 56.400 0.008 0.000 0.864 254 E CB -1.010 28.693 29.700 0.006 0.000 1.439 254 E HN 0.936 nan 8.360 nan 0.000 0.445 255 Q N -1.117 118.699 119.800 0.028 0.000 2.250 255 Q HA 0.102 4.442 4.340 0.000 0.000 0.200 255 Q C 1.976 178.014 176.000 0.063 0.000 0.941 255 Q CA 1.111 56.938 55.803 0.041 0.000 0.872 255 Q CB 0.281 29.043 28.738 0.039 0.000 0.965 255 Q HN 0.134 nan 8.270 nan 0.000 0.480 256 S N 0.553 116.298 115.700 0.074 0.000 2.428 256 S HA -0.085 4.385 4.470 0.000 0.000 0.230 256 S C 1.752 176.455 174.600 0.172 0.000 1.014 256 S CA 0.758 59.043 58.200 0.143 0.000 0.957 256 S CB -0.032 63.269 63.200 0.168 0.000 0.784 256 S HN 0.166 nan 8.310 nan 0.000 0.499 257 R N 1.950 122.499 120.500 0.081 0.000 2.105 257 R HA 0.007 4.347 4.340 0.000 0.000 0.239 257 R C 2.167 178.504 176.300 0.062 0.000 1.135 257 R CA 1.535 57.663 56.100 0.047 0.000 0.967 257 R CB -0.727 29.578 30.300 0.007 0.000 0.861 257 R HN 0.354 nan 8.270 nan 0.000 0.442 258 A N -0.611 122.248 122.820 0.065 0.000 1.933 258 A HA -0.087 4.233 4.320 0.000 0.000 0.218 258 A C 2.276 179.915 177.584 0.092 0.000 1.175 258 A CA 1.583 53.656 52.037 0.060 0.000 0.628 258 A CB -0.566 18.465 19.000 0.052 0.000 0.814 258 A HN 0.187 nan 8.150 nan 0.000 0.444 259 V N 0.096 120.093 119.914 0.139 0.000 2.358 259 V HA -0.214 3.906 4.120 0.000 0.000 0.246 259 V C 2.464 178.707 176.094 0.247 0.000 1.047 259 V CA 1.747 64.154 62.300 0.179 0.000 1.035 259 V CB -0.601 31.310 31.823 0.147 0.000 0.658 259 V HN 0.625 nan 8.190 nan 0.000 0.452 260 L N 0.167 121.576 121.223 0.309 0.000 1.994 260 L HA -0.217 4.123 4.340 0.000 0.000 0.208 260 L C 2.702 179.603 176.870 0.051 0.000 1.071 260 L CA 2.336 57.300 54.840 0.206 0.000 0.745 260 L CB -0.684 41.422 42.059 0.079 0.000 0.892 260 L HN 0.320 nan 8.230 nan 0.000 0.431 261 R N -0.012 120.494 120.500 0.010 0.000 2.083 261 R HA -0.282 4.058 4.340 0.000 0.000 0.237 261 R C 2.189 178.448 176.300 -0.067 0.000 1.137 261 R CA 2.288 58.352 56.100 -0.062 0.000 0.951 261 R CB -0.237 30.035 30.300 -0.047 0.000 0.851 261 R HN 0.462 nan 8.270 nan 0.000 0.434 262 E N -0.310 119.889 120.200 -0.001 0.000 2.106 262 E HA -0.123 4.227 4.350 0.000 0.000 0.192 262 E C 1.799 178.412 176.600 0.022 0.000 0.984 262 E CA 1.607 58.012 56.400 0.008 0.000 0.806 262 E CB 0.057 29.798 29.700 0.067 0.000 0.750 262 E HN 0.257 nan 8.360 nan 0.000 0.458 263 S N 0.421 116.164 115.700 0.071 0.000 2.356 263 S HA -0.137 4.333 4.470 0.000 0.000 0.223 263 S C 1.876 176.485 174.600 0.015 0.000 1.032 263 S CA 1.098 59.349 58.200 0.085 0.000 1.005 263 S CB -0.256 63.049 63.200 0.175 0.000 0.867 263 S HN 0.283 nan 8.310 nan 0.000 0.449 264 L N 0.989 122.190 121.223 -0.035 0.000 2.046 264 L HA -0.083 4.257 4.340 0.000 0.000 0.208 264 L C 2.310 179.082 176.870 -0.163 0.000 1.077 264 L CA 0.992 55.769 54.840 -0.104 0.000 0.747 264 L CB -0.606 41.293 42.059 -0.266 0.000 0.896 264 L HN 0.287 nan 8.230 nan 0.000 0.432 265 L N -0.830 120.261 121.223 -0.221 0.000 2.079 265 L HA -0.260 4.080 4.340 0.000 0.000 0.210 265 L C 2.694 179.443 176.870 -0.202 0.000 1.081 265 L CA 1.417 56.073 54.840 -0.305 0.000 0.752 265 L CB -0.288 41.551 42.059 -0.367 0.000 0.896 265 L HN 0.336 nan 8.230 nan 0.000 0.433 266 M N -1.011 118.501 119.600 -0.146 0.000 2.149 266 M HA -0.214 4.266 4.480 0.000 0.000 0.261 266 M C 2.449 178.616 176.300 -0.222 0.000 1.064 266 M CA 1.900 57.079 55.300 -0.202 0.000 1.102 266 M CB -0.449 32.018 32.600 -0.222 0.000 1.369 266 M HN 0.322 nan 8.290 nan 0.000 0.408 267 A N 0.226 122.971 122.820 -0.125 0.000 1.873 267 A HA -0.163 4.157 4.320 0.000 0.000 0.215 267 A C 2.108 179.637 177.584 -0.092 0.000 1.186 267 A CA 1.604 53.590 52.037 -0.086 0.000 0.616 267 A CB -0.567 18.492 19.000 0.099 0.000 0.823 267 A HN 0.437 nan 8.150 nan 0.000 0.442 268 M N -0.855 118.732 119.600 -0.023 0.000 2.067 268 M HA -0.213 4.267 4.480 0.000 0.000 0.260 268 M C 2.410 178.658 176.300 -0.086 0.000 1.069 268 M CA 1.769 57.060 55.300 -0.015 0.000 1.117 268 M CB -0.713 31.866 32.600 -0.034 0.000 1.334 268 M HN 0.548 nan 8.290 nan 0.000 0.407 269 C N 0.231 119.466 119.300 -0.109 0.000 2.425 269 C HA -0.106 4.354 4.460 0.000 0.000 0.277 269 C C 2.623 177.533 174.990 -0.133 0.000 1.280 269 C CA 0.509 59.474 59.018 -0.089 0.000 1.744 269 C CB -1.017 26.680 27.740 -0.072 0.000 1.989 269 C HN 0.518 nan 8.230 nan 0.000 0.491 270 I N 0.573 121.017 120.570 -0.209 0.000 2.252 270 I HA -0.199 3.971 4.170 0.000 0.000 0.245 270 I C 2.921 178.875 176.117 -0.272 0.000 1.102 270 I CA 1.415 62.566 61.300 -0.247 0.000 1.385 270 I CB -0.595 37.206 38.000 -0.331 0.000 1.064 270 I HN 0.336 nan 8.210 nan 0.000 0.414 271 R N 1.067 121.355 120.500 -0.353 0.000 2.081 271 R HA -0.213 4.127 4.340 0.000 0.000 0.235 271 R C 1.767 177.904 176.300 -0.271 0.000 1.131 271 R CA 2.118 57.910 56.100 -0.512 0.000 0.960 271 R CB -0.251 29.717 30.300 -0.554 0.000 0.856 271 R HN 0.284 nan 8.270 nan 0.000 0.436 272 D N 0.307 120.611 120.400 -0.160 0.000 2.144 272 D HA -0.166 4.474 4.640 0.000 0.000 0.199 272 D C 1.935 178.187 176.300 -0.081 0.000 0.984 272 D CA 1.341 55.288 54.000 -0.088 0.000 0.834 272 D CB -0.113 40.658 40.800 -0.048 0.000 0.955 272 D HN 0.347 nan 8.370 nan 0.000 0.465 273 M N -0.623 118.938 119.600 -0.066 0.000 2.200 273 M HA -0.048 4.432 4.480 0.000 0.000 0.265 273 M C 2.173 178.512 176.300 0.066 0.000 1.066 273 M CA 0.949 56.262 55.300 0.021 0.000 1.127 273 M CB -0.059 32.608 32.600 0.110 0.000 1.379 273 M HN 0.016 nan 8.290 nan 0.000 0.420 274 M N -0.173 119.417 119.600 -0.017 0.000 2.077 274 M HA -0.215 4.265 4.480 0.000 0.000 0.261 274 M C 2.015 178.333 176.300 0.030 0.000 1.070 274 M CA 1.797 57.100 55.300 0.005 0.000 1.125 274 M CB -0.294 32.271 32.600 -0.059 0.000 1.339 274 M HN 0.305 nan 8.290 nan 0.000 0.409 275 Q N -0.371 119.437 119.800 0.013 0.000 2.217 275 Q HA 0.419 4.759 4.340 0.000 0.000 0.217 275 Q C 0.466 176.461 176.000 -0.009 0.000 0.844 275 Q CA 0.211 56.034 55.803 0.035 0.000 0.957 275 Q CB 0.827 29.631 28.738 0.110 0.000 1.127 275 Q HN 0.393 nan 8.270 nan 0.000 0.503 276 G N 1.681 110.452 108.800 -0.048 0.000 2.795 276 G HA2 -0.199 3.761 3.960 0.000 0.000 0.664 276 G HA3 -0.199 3.761 3.960 0.000 0.000 0.664 276 G C -1.186 173.691 174.900 -0.039 0.000 1.381 276 G CA -0.265 44.795 45.100 -0.067 0.000 0.853 276 G HN 0.363 nan 8.290 nan 0.000 0.545 277 N N -0.836 117.840 118.700 -0.040 0.000 2.697 277 N HA 0.405 5.145 4.740 0.000 0.000 0.271 277 N C 1.193 176.690 175.510 -0.021 0.000 1.149 277 N CA 0.512 53.550 53.050 -0.019 0.000 0.939 277 N CB 1.335 39.816 38.487 -0.010 0.000 1.534 277 N HN 1.214 nan 8.380 nan 0.000 0.556 278 S N 2.847 118.538 115.700 -0.016 0.000 2.419 278 S HA -0.117 4.353 4.470 0.000 0.000 0.235 278 S C 1.398 175.989 174.600 -0.015 0.000 1.019 278 S CA 0.693 58.883 58.200 -0.017 0.000 0.982 278 S CB -0.041 63.151 63.200 -0.013 0.000 0.789 278 S HN 0.500 nan 8.310 nan 0.000 0.490 279 K N 1.516 121.911 120.400 -0.008 0.000 2.209 279 K HA 0.099 4.419 4.320 0.000 0.000 0.204 279 K C 1.971 178.561 176.600 -0.017 0.000 1.048 279 K CA 0.774 57.057 56.287 -0.007 0.000 0.940 279 K CB -0.686 31.818 32.500 0.007 0.000 0.729 279 K HN 0.481 nan 8.250 nan 0.000 0.451 280 L N 0.300 121.511 121.223 -0.020 0.000 2.201 280 L HA -0.097 4.243 4.340 0.000 0.000 0.212 280 L C 2.483 179.331 176.870 -0.036 0.000 1.105 280 L CA 0.838 55.660 54.840 -0.032 0.000 0.775 280 L CB -0.600 41.439 42.059 -0.033 0.000 0.913 280 L HN 0.079 nan 8.230 nan 0.000 0.440 281 A N -0.080 122.721 122.820 -0.032 0.000 1.969 281 A HA -0.194 4.126 4.320 0.000 0.000 0.218 281 A C 1.853 179.420 177.584 -0.029 0.000 1.169 281 A CA 1.621 53.639 52.037 -0.031 0.000 0.635 281 A CB -0.355 18.628 19.000 -0.028 0.000 0.810 281 A HN 0.321 nan 8.150 nan 0.000 0.445 282 D N 0.370 120.754 120.400 -0.027 0.000 2.178 282 D HA -0.128 4.512 4.640 0.000 0.000 0.201 282 D C 1.615 177.896 176.300 -0.031 0.000 0.980 282 D CA 1.568 55.553 54.000 -0.025 0.000 0.842 282 D CB -0.351 40.437 40.800 -0.021 0.000 0.948 282 D HN 0.751 nan 8.370 nan 0.000 0.472 283 I N -3.684 116.862 120.570 -0.040 0.000 3.806 283 I HA 0.378 4.548 4.170 0.000 0.000 0.321 283 I C 1.117 177.205 176.117 -0.048 0.000 1.315 283 I CA 0.202 61.472 61.300 -0.050 0.000 1.148 283 I CB -0.032 37.924 38.000 -0.073 0.000 1.028 283 I HN -0.027 nan 8.210 nan 0.000 0.415 284 G N 2.175 110.952 108.800 -0.039 0.000 2.159 284 G HA2 -0.295 3.665 3.960 0.000 0.000 0.256 284 G HA3 -0.295 3.665 3.960 0.000 0.000 0.256 284 G C 0.245 175.123 174.900 -0.036 0.000 0.977 284 G CA -0.223 44.856 45.100 -0.035 0.000 0.652 284 G HN 0.416 nan 8.290 nan 0.000 0.531 285 R N 0.883 121.359 120.500 -0.041 0.000 3.785 285 R HA 0.512 4.852 4.340 0.000 0.000 0.255 285 R C 1.992 178.267 176.300 -0.041 0.000 1.485 285 R CA 0.415 56.490 56.100 -0.041 0.000 1.555 285 R CB 0.018 30.290 30.300 -0.047 0.000 1.362 285 R HN 0.600 nan 8.270 nan 0.000 0.702 286 V N -1.798 118.094 119.914 -0.037 0.000 2.358 286 V HA -0.177 3.943 4.120 0.000 0.000 0.246 286 V C 1.880 177.945 176.094 -0.049 0.000 1.047 286 V CA 1.654 63.930 62.300 -0.039 0.000 1.035 286 V CB -0.358 31.446 31.823 -0.031 0.000 0.658 286 V HN 0.536 nan 8.190 nan 0.000 0.452 287 E N 0.790 120.963 120.200 -0.046 0.000 2.051 287 E HA -0.289 4.061 4.350 0.000 0.000 0.192 287 E C 2.142 178.685 176.600 -0.095 0.000 0.991 287 E CA 1.892 58.257 56.400 -0.058 0.000 0.799 287 E CB -0.112 29.566 29.700 -0.037 0.000 0.748 287 E HN 0.752 nan 8.360 nan 0.000 0.449 288 E N 0.192 120.342 120.200 -0.083 0.000 2.150 288 E HA -0.157 4.193 4.350 0.000 0.000 0.193 288 E C 2.122 178.648 176.600 -0.122 0.000 0.985 288 E CA 1.299 57.636 56.400 -0.106 0.000 0.814 288 E CB -0.139 29.525 29.700 -0.059 0.000 0.752 288 E HN 0.330 nan 8.360 nan 0.000 0.466 289 S N 0.478 116.123 115.700 -0.090 0.000 2.419 289 S HA -0.140 4.330 4.470 0.000 0.000 0.233 289 S C 1.956 176.496 174.600 -0.100 0.000 1.016 289 S CA 0.728 58.880 58.200 -0.079 0.000 0.974 289 S CB -0.451 62.716 63.200 -0.056 0.000 0.786 289 S HN 0.203 nan 8.310 nan 0.000 0.492 290 L N 1.380 122.527 121.223 -0.126 0.000 2.083 290 L HA 0.137 4.477 4.340 0.000 0.000 0.209 290 L C 1.818 178.582 176.870 -0.177 0.000 1.083 290 L CA 0.751 55.510 54.840 -0.134 0.000 0.752 290 L CB -1.626 40.353 42.059 -0.134 0.000 0.899 290 L HN 0.731 nan 8.230 nan 0.000 0.433 291 G N -1.510 107.113 108.800 -0.295 0.000 2.725 291 G HA2 -0.311 3.649 3.960 0.000 0.000 0.220 291 G HA3 -0.311 3.649 3.960 0.000 0.000 0.220 291 G C -0.483 174.132 174.900 -0.474 0.000 1.357 291 G CA -0.024 44.874 45.100 -0.338 0.000 0.866 291 G HN 0.094 nan 8.290 nan 0.000 0.548 292 Y N 0.381 120.659 120.300 -0.037 0.000 2.612 292 Y HA 0.341 4.891 4.550 0.000 0.000 0.250 292 Y C 1.384 177.264 175.900 -0.034 0.000 1.175 292 Y CA 0.026 58.102 58.100 -0.039 0.000 1.205 292 Y CB 0.435 38.861 38.460 -0.058 0.000 1.201 292 Y HN 0.803 nan 8.280 nan 0.000 0.532 293 N N 0.795 119.541 118.700 0.077 0.000 2.735 293 N HA -0.197 4.543 4.740 0.000 0.000 0.248 293 N C -0.565 174.980 175.510 0.059 0.000 1.083 293 N CA 0.620 53.701 53.050 0.053 0.000 0.703 293 N CB -0.910 37.601 38.487 0.041 0.000 1.005 293 N HN 0.366 nan 8.380 nan 0.000 0.550 294 A N 0.292 123.152 122.820 0.066 0.000 2.301 294 A HA 0.564 4.884 4.320 0.000 0.000 0.298 294 A C 1.334 178.958 177.584 0.067 0.000 1.185 294 A CA -0.448 51.612 52.037 0.039 0.000 0.830 294 A CB 0.542 19.533 19.000 -0.015 0.000 1.112 294 A HN 0.483 nan 8.150 nan 0.000 0.508 295 I N 0.812 121.431 120.570 0.082 0.000 3.956 295 I HA 0.440 4.610 4.170 0.000 0.000 0.333 295 I C 0.513 176.716 176.117 0.143 0.000 1.302 295 I CA 0.668 62.037 61.300 0.114 0.000 1.122 295 I CB 0.068 38.135 38.000 0.111 0.000 1.013 295 I HN 0.724 nan 8.210 nan 0.000 0.405 296 A N 0.476 123.371 122.820 0.124 0.000 2.605 296 A HA 0.829 5.149 4.320 0.000 0.000 0.294 296 A C -1.368 176.179 177.584 -0.061 0.000 1.062 296 A CA -0.016 52.112 52.037 0.152 0.000 0.682 296 A CB 1.143 20.341 19.000 0.331 0.000 1.278 296 A HN 0.190 nan 8.150 nan 0.000 0.410 297 A N -0.194 122.564 122.820 -0.105 0.000 2.583 297 A HA 1.002 5.322 4.320 0.000 0.000 0.289 297 A C -0.158 177.325 177.584 -0.168 0.000 1.151 297 A CA -0.250 51.545 52.037 -0.405 0.000 0.695 297 A CB 1.489 20.335 19.000 -0.257 0.000 1.290 297 A HN 2.428 nan 8.150 nan 0.000 0.419 298 G N -0.889 107.790 108.800 -0.202 0.000 2.682 298 G HA2 0.587 4.547 3.960 0.000 0.000 0.300 298 G HA3 0.587 4.547 3.960 0.000 0.000 0.300 298 G C -1.835 173.105 174.900 0.067 0.000 1.391 298 G CA -0.362 44.786 45.100 0.079 0.000 0.990 298 G HN 1.100 nan 8.290 nan 0.000 0.501 299 F N 2.331 122.220 119.950 -0.103 0.000 2.382 299 F HA 0.386 4.913 4.527 0.000 0.000 0.361 299 F C 1.399 177.134 175.800 -0.108 0.000 1.109 299 F CA -1.078 56.831 58.000 -0.152 0.000 1.031 299 F CB 1.969 40.841 39.000 -0.214 0.000 1.234 299 F HN 0.617 nan 8.300 nan 0.000 0.445 300 Q N 4.773 124.268 119.800 -0.509 0.000 2.029 300 Q HA -0.060 4.280 4.340 0.000 0.000 0.209 300 Q C 1.727 177.353 176.000 -0.623 0.000 0.999 300 Q CA 2.573 58.114 55.803 -0.437 0.000 0.857 300 Q CB -0.400 28.173 28.738 -0.275 0.000 0.926 300 Q HN 1.127 nan 8.270 nan 0.000 0.415 301 G N 0.194 108.313 108.800 -1.134 0.000 3.181 301 G HA2 -0.392 3.568 3.960 0.000 0.000 0.322 301 G HA3 -0.392 3.568 3.960 0.000 0.000 0.322 301 G C -0.283 174.524 174.900 -0.154 0.000 1.246 301 G CA 0.543 45.235 45.100 -0.679 0.000 0.989 301 G HN 0.536 nan 8.290 nan 0.000 0.607 302 Q N 0.802 120.546 119.800 -0.094 0.000 2.373 302 Q HA 0.455 4.795 4.340 0.000 0.000 0.255 302 Q C 1.413 177.261 176.000 -0.254 0.000 0.980 302 Q CA -0.530 55.217 55.803 -0.093 0.000 0.882 302 Q CB 0.942 29.643 28.738 -0.061 0.000 1.249 302 Q HN 0.451 nan 8.270 nan 0.000 0.438 303 R N 0.985 121.236 120.500 -0.414 0.000 2.156 303 R HA -0.007 4.333 4.340 0.000 0.000 0.207 303 R C 1.671 177.916 176.300 -0.091 0.000 1.040 303 R CA 0.907 56.870 56.100 -0.228 0.000 1.013 303 R CB -0.083 30.111 30.300 -0.177 0.000 0.931 303 R HN 0.762 nan 8.270 nan 0.000 0.465 304 H N -1.020 118.066 119.070 0.027 0.000 2.390 304 H HA -0.202 4.354 4.556 0.000 0.000 0.298 304 H C 1.779 177.152 175.328 0.074 0.000 1.106 304 H CA 1.412 57.482 56.048 0.036 0.000 1.297 304 H CB -0.030 29.765 29.762 0.056 0.000 1.375 304 H HN 0.320 nan 8.280 nan 0.000 0.509 305 W N 2.423 123.767 121.300 0.074 0.000 2.488 305 W HA -0.133 4.527 4.660 0.000 0.000 0.304 305 W C 2.002 178.574 176.519 0.088 0.000 1.175 305 W CA 1.832 59.266 57.345 0.150 0.000 1.365 305 W CB -0.364 29.221 29.460 0.209 0.000 1.131 305 W HN 0.221 nan 8.180 nan 0.000 0.520 306 T N -1.023 113.744 114.554 0.354 0.000 2.897 306 T HA -0.205 4.145 4.350 0.000 0.000 0.271 306 T C 1.015 175.735 174.700 0.033 0.000 1.084 306 T CA 1.646 63.912 62.100 0.278 0.000 1.123 306 T CB -0.601 68.503 68.868 0.393 0.000 0.865 306 T HN -0.116 nan 8.240 nan 0.000 0.496 307 D N 1.629 121.987 120.400 -0.070 0.000 2.378 307 D HA 0.015 4.655 4.640 0.000 0.000 0.227 307 D C 2.005 178.164 176.300 -0.236 0.000 1.012 307 D CA 0.732 54.644 54.000 -0.145 0.000 0.905 307 D CB 0.045 40.778 40.800 -0.112 0.000 0.895 307 D HN 0.904 nan 8.370 nan 0.000 0.532 308 Q N -2.311 117.268 119.800 -0.370 0.000 2.106 308 Q HA 0.032 4.372 4.340 0.000 0.000 0.230 308 Q C -0.400 175.285 176.000 -0.525 0.000 0.720 308 Q CA -0.181 55.300 55.803 -0.537 0.000 0.899 308 Q CB 0.635 28.871 28.738 -0.837 0.000 1.232 308 Q HN 0.059 nan 8.270 nan 0.000 0.461 309 Y N 1.131 121.231 120.300 -0.334 0.000 2.598 309 Y HA 0.646 5.196 4.550 0.000 0.000 0.340 309 Y C -2.519 173.361 175.900 -0.034 0.000 1.038 309 Y CA -3.265 54.619 58.100 -0.360 0.000 1.100 309 Y CB 0.337 38.191 38.460 -1.009 0.000 1.281 309 Y HN -0.145 nan 8.280 nan 0.000 0.488 310 P HA -0.020 nan 4.420 nan 0.000 0.265 310 P C -0.527 177.075 177.300 0.503 0.000 1.187 310 P CA 0.060 63.351 63.100 0.318 0.000 0.766 310 P CB 0.379 32.239 31.700 0.266 0.000 0.820 311 N N 1.351 120.265 118.700 0.357 0.000 2.317 311 N HA 0.112 4.852 4.740 0.000 0.000 0.245 311 N C 1.128 176.802 175.510 0.275 0.000 1.294 311 N CA -0.142 53.127 53.050 0.366 0.000 0.924 311 N CB -0.547 37.988 38.487 0.080 0.000 1.186 311 N HN 0.381 nan 8.380 nan 0.000 0.495 312 G N -1.553 107.405 108.800 0.263 0.000 3.181 312 G HA2 -0.034 3.926 3.960 0.000 0.000 0.219 312 G HA3 -0.034 3.926 3.960 0.000 0.000 0.219 312 G C 0.380 175.292 174.900 0.020 0.000 1.182 312 G CA -0.214 44.954 45.100 0.113 0.000 0.791 312 G HN 0.547 nan 8.290 nan 0.000 0.537 313 D N 1.034 121.431 120.400 -0.005 0.000 2.106 313 D HA -0.124 4.516 4.640 0.000 0.000 0.191 313 D C 2.576 178.950 176.300 0.123 0.000 0.997 313 D CA 1.632 55.622 54.000 -0.017 0.000 0.834 313 D CB -0.371 40.400 40.800 -0.049 0.000 0.956 313 D HN 0.194 nan 8.370 nan 0.000 0.448 314 T N 0.720 115.405 114.554 0.219 0.000 2.708 314 T HA -0.102 4.248 4.350 0.000 0.000 0.266 314 T C 2.017 176.832 174.700 0.190 0.000 1.037 314 T CA 1.637 63.918 62.100 0.301 0.000 1.146 314 T CB -0.424 68.590 68.868 0.243 0.000 0.865 314 T HN 0.213 nan 8.240 nan 0.000 0.435 315 A N 1.779 124.643 122.820 0.073 0.000 1.865 315 A HA -0.192 4.128 4.320 0.000 0.000 0.217 315 A C 2.213 179.779 177.584 -0.029 0.000 1.191 315 A CA 1.915 53.944 52.037 -0.013 0.000 0.623 315 A CB -0.684 18.218 19.000 -0.163 0.000 0.826 315 A HN 0.597 nan 8.150 nan 0.000 0.444 316 E N -0.336 119.837 120.200 -0.045 0.000 2.077 316 E HA -0.095 4.255 4.350 0.000 0.000 0.193 316 E C 2.328 178.924 176.600 -0.006 0.000 0.989 316 E CA 0.978 57.343 56.400 -0.059 0.000 0.800 316 E CB -0.313 29.323 29.700 -0.107 0.000 0.746 316 E HN 0.624 nan 8.360 nan 0.000 0.452 317 A N 1.380 124.238 122.820 0.063 0.000 1.877 317 A HA -0.177 4.143 4.320 0.000 0.000 0.216 317 A C 2.157 179.815 177.584 0.123 0.000 1.186 317 A CA 1.124 53.233 52.037 0.120 0.000 0.620 317 A CB -0.402 18.739 19.000 0.236 0.000 0.822 317 A HN 0.105 nan 8.150 nan 0.000 0.443 318 I N -0.070 120.602 120.570 0.169 0.000 2.202 318 I HA -0.186 3.984 4.170 0.000 0.000 0.242 318 I C 2.501 178.594 176.117 -0.040 0.000 1.091 318 I CA 1.138 62.501 61.300 0.105 0.000 1.368 318 I CB -1.445 36.664 38.000 0.182 0.000 1.058 318 I HN 0.281 nan 8.210 nan 0.000 0.410 319 L N 0.545 121.749 121.223 -0.031 0.000 2.083 319 L HA -0.206 4.134 4.340 0.000 0.000 0.209 319 L C 2.080 178.982 176.870 0.053 0.000 1.083 319 L CA 1.194 56.027 54.840 -0.012 0.000 0.752 319 L CB -0.610 41.382 42.059 -0.111 0.000 0.899 319 L HN 0.329 nan 8.230 nan 0.000 0.433 320 N N -0.631 118.064 118.700 -0.009 0.000 2.494 320 N HA -0.008 4.732 4.740 0.000 0.000 0.182 320 N C 0.728 176.175 175.510 -0.105 0.000 1.076 320 N CA 0.213 53.245 53.050 -0.029 0.000 0.908 320 N CB 0.203 38.689 38.487 -0.002 0.000 0.967 320 N HN 0.185 nan 8.380 nan 0.000 0.449 321 S N -0.267 115.322 115.700 -0.186 0.000 2.624 321 S HA 0.178 4.648 4.470 0.000 0.000 0.263 321 S C 1.088 175.430 174.600 -0.429 0.000 1.287 321 S CA -0.425 57.533 58.200 -0.403 0.000 0.990 321 S CB 1.239 64.008 63.200 -0.719 0.000 0.950 321 S HN 0.078 nan 8.310 nan 0.000 0.561 322 S N 0.851 116.251 115.700 -0.501 0.000 2.660 322 S HA 0.350 4.820 4.470 0.000 0.000 0.227 322 S C -0.470 174.102 174.600 -0.047 0.000 0.948 322 S CA -0.266 57.827 58.200 -0.178 0.000 0.948 322 S CB -0.795 62.454 63.200 0.082 0.000 0.779 322 S HN 0.558 nan 8.310 nan 0.000 0.487 323 F N -0.559 119.364 119.950 -0.045 0.000 2.770 323 F HA 0.730 5.257 4.527 0.000 0.000 0.313 323 F C -1.278 174.420 175.800 -0.169 0.000 1.154 323 F CA -1.480 56.472 58.000 -0.081 0.000 0.923 323 F CB 0.599 39.613 39.000 0.024 0.000 1.301 323 F HN 0.052 nan 8.300 nan 0.000 0.449 324 D N -0.530 119.766 120.400 -0.172 0.000 2.970 324 D HA 0.178 4.818 4.640 0.000 0.000 0.344 324 D C 0.174 175.761 176.300 -1.188 0.000 1.365 324 D CA -0.530 52.977 54.000 -0.822 0.000 0.910 324 D CB -0.149 39.835 40.800 -1.360 0.000 1.445 324 D HN 0.734 nan 8.370 nan 0.000 0.532 325 W N -0.147 120.228 121.300 -1.542 0.000 2.359 325 W HA 0.063 4.723 4.660 0.000 0.000 0.275 325 W C 0.650 176.856 176.519 -0.523 0.000 1.217 325 W CA 0.885 57.426 57.345 -1.339 0.000 1.196 325 W CB -0.972 27.981 29.460 -0.846 0.000 1.129 325 W HN 0.107 nan 8.180 nan 0.000 0.566 326 N N 0.802 119.170 118.700 -0.553 0.000 2.322 326 N HA 0.276 5.016 4.740 0.000 0.000 0.194 326 N C 0.971 176.388 175.510 -0.156 0.000 1.126 326 N CA 1.303 54.208 53.050 -0.242 0.000 0.845 326 N CB 0.217 38.552 38.487 -0.253 0.000 0.976 326 N HN 0.358 nan 8.380 nan 0.000 0.475 327 G N 0.233 108.945 108.800 -0.147 0.000 2.610 327 G HA2 -0.212 3.748 3.960 0.000 0.000 0.304 327 G HA3 -0.212 3.748 3.960 0.000 0.000 0.304 327 G C -0.377 174.533 174.900 0.016 0.000 1.309 327 G CA -0.374 44.712 45.100 -0.023 0.000 0.906 327 G HN 0.328 nan 8.290 nan 0.000 0.521 328 V N -0.612 119.347 119.914 0.074 0.000 2.686 328 V HA 0.918 5.038 4.120 0.000 0.000 0.295 328 V C 0.404 176.534 176.094 0.060 0.000 1.055 328 V CA 0.728 63.105 62.300 0.129 0.000 1.050 328 V CB 0.995 32.915 31.823 0.163 0.000 0.984 328 V HN 1.779 nan 8.190 nan 0.000 0.482 329 R N 1.878 122.376 120.500 -0.004 0.000 2.781 329 R HA 0.542 4.882 4.340 0.000 0.000 0.268 329 R C -0.711 175.333 176.300 -0.427 0.000 1.047 329 R CA -0.885 55.116 56.100 -0.165 0.000 0.925 329 R CB 1.190 31.365 30.300 -0.208 0.000 1.246 329 R HN 0.766 nan 8.270 nan 0.000 0.456 330 E N 2.563 122.280 120.200 -0.806 0.000 2.376 330 E HA 0.162 4.512 4.350 0.000 0.000 0.266 330 E C -1.803 174.420 176.600 -0.629 0.000 1.009 330 E CA -1.881 53.962 56.400 -0.930 0.000 0.902 330 E CB 0.759 30.038 29.700 -0.702 0.000 0.972 330 E HN 0.303 nan 8.360 nan 0.000 0.439 331 P HA 0.027 nan 4.420 nan 0.000 0.272 331 P C -0.836 176.119 177.300 -0.576 0.000 1.223 331 P CA 0.150 62.999 63.100 -0.419 0.000 0.784 331 P CB 0.429 31.961 31.700 -0.280 0.000 0.923 332 F N -0.147 119.649 119.950 -0.255 0.000 2.380 332 F HA 0.321 4.848 4.527 0.000 0.000 0.319 332 F C 0.727 176.417 175.800 -0.183 0.000 1.113 332 F CA -0.517 57.361 58.000 -0.203 0.000 1.056 332 F CB 0.861 39.770 39.000 -0.152 0.000 1.289 332 F HN -0.054 nan 8.300 nan 0.000 0.515 333 V N 2.674 122.653 119.914 0.108 0.000 2.284 333 V HA 0.360 4.480 4.120 0.000 0.000 0.274 333 V C -0.893 175.270 176.094 0.116 0.000 1.023 333 V CA -0.560 61.793 62.300 0.088 0.000 0.808 333 V CB 1.010 32.902 31.823 0.114 0.000 1.035 333 V HN 0.452 nan 8.190 nan 0.000 0.445 334 V N 4.282 124.248 119.914 0.087 0.000 2.376 334 V HA 0.669 4.789 4.120 0.000 0.000 0.287 334 V C 0.499 176.635 176.094 0.069 0.000 1.015 334 V CA -0.712 61.617 62.300 0.048 0.000 0.834 334 V CB 1.712 33.514 31.823 -0.034 0.000 1.001 334 V HN 0.833 nan 8.190 nan 0.000 0.428 335 A N 3.425 126.333 122.820 0.147 0.000 2.362 335 A HA 0.605 4.925 4.320 0.000 0.000 0.276 335 A C 0.668 178.208 177.584 -0.073 0.000 1.153 335 A CA 0.089 52.242 52.037 0.193 0.000 0.813 335 A CB 0.545 19.793 19.000 0.413 0.000 1.081 335 A HN 0.943 nan 8.150 nan 0.000 0.507 336 T N 0.938 115.122 114.554 -0.617 0.000 2.898 336 T HA 0.312 4.662 4.350 0.000 0.000 0.301 336 T C 0.460 175.001 174.700 -0.266 0.000 1.049 336 T CA 0.666 62.428 62.100 -0.564 0.000 1.095 336 T CB 0.075 68.418 68.868 -0.876 0.000 0.976 336 T HN 0.856 nan 8.240 nan 0.000 0.539 337 E N 0.889 121.002 120.200 -0.145 0.000 2.883 337 E HA -0.285 4.065 4.350 0.000 0.000 0.271 337 E C 0.327 176.949 176.600 0.036 0.000 1.049 337 E CA 0.668 57.046 56.400 -0.036 0.000 0.817 337 E CB -1.631 28.119 29.700 0.083 0.000 1.407 337 E HN 0.900 nan 8.360 nan 0.000 0.434 338 N N 0.598 119.324 118.700 0.042 0.000 2.710 338 N HA -0.208 4.532 4.740 0.000 0.000 0.249 338 N C -1.032 174.608 175.510 0.215 0.000 1.059 338 N CA 1.354 54.485 53.050 0.135 0.000 0.720 338 N CB -0.528 38.004 38.487 0.074 0.000 0.983 338 N HN 0.409 nan 8.380 nan 0.000 0.544 339 D N -0.262 120.306 120.400 0.281 0.000 2.455 339 D HA 0.173 4.813 4.640 0.000 0.000 0.234 339 D C 1.307 177.764 176.300 0.262 0.000 1.224 339 D CA 0.617 54.793 54.000 0.293 0.000 0.999 339 D CB -0.032 41.049 40.800 0.468 0.000 1.072 339 D HN 0.402 nan 8.370 nan 0.000 0.514 340 S N 3.099 118.904 115.700 0.174 0.000 2.400 340 S HA -0.197 4.273 4.470 0.000 0.000 0.232 340 S C 2.097 176.738 174.600 0.070 0.000 1.025 340 S CA 0.578 58.806 58.200 0.045 0.000 0.993 340 S CB -0.327 62.777 63.200 -0.161 0.000 0.808 340 S HN 0.554 nan 8.310 nan 0.000 0.478 341 L N 1.064 122.298 121.223 0.017 0.000 2.141 341 L HA -0.009 4.331 4.340 0.000 0.000 0.209 341 L C 2.659 179.520 176.870 -0.014 0.000 1.094 341 L CA 1.289 56.087 54.840 -0.069 0.000 0.763 341 L CB -0.702 41.254 42.059 -0.171 0.000 0.908 341 L HN 0.323 nan 8.230 nan 0.000 0.437 342 N N 0.270 118.991 118.700 0.035 0.000 2.300 342 N HA -0.081 4.659 4.740 0.000 0.000 0.179 342 N C 1.841 177.410 175.510 0.098 0.000 1.016 342 N CA 1.127 54.167 53.050 -0.017 0.000 0.876 342 N CB -0.115 38.249 38.487 -0.205 0.000 0.979 342 N HN 0.212 nan 8.380 nan 0.000 0.432 343 G N -0.169 108.759 108.800 0.213 0.000 2.418 343 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 343 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 343 G C 1.551 176.604 174.900 0.255 0.000 1.158 343 G CA 0.906 46.184 45.100 0.297 0.000 0.771 343 G HN 0.199 nan 8.290 nan 0.000 0.545 344 V N 1.494 121.528 119.914 0.201 0.000 2.343 344 V HA -0.125 3.995 4.120 0.000 0.000 0.247 344 V C 3.307 179.506 176.094 0.174 0.000 1.051 344 V CA 1.983 64.389 62.300 0.177 0.000 1.036 344 V CB -0.782 31.106 31.823 0.108 0.000 0.654 344 V HN 0.472 nan 8.190 nan 0.000 0.451 345 A N -0.561 122.345 122.820 0.143 0.000 1.933 345 A HA -0.213 4.107 4.320 0.000 0.000 0.218 345 A C 2.227 179.955 177.584 0.240 0.000 1.175 345 A CA 2.097 54.242 52.037 0.180 0.000 0.628 345 A CB -0.458 18.583 19.000 0.069 0.000 0.814 345 A HN 0.506 nan 8.150 nan 0.000 0.444 346 M N -0.844 118.871 119.600 0.193 0.000 2.175 346 M HA -0.045 4.435 4.480 0.000 0.000 0.264 346 M C 2.206 178.647 176.300 0.236 0.000 1.063 346 M CA 1.161 56.586 55.300 0.208 0.000 1.119 346 M CB -0.352 32.363 32.600 0.192 0.000 1.377 346 M HN 0.436 nan 8.290 nan 0.000 0.415 347 L N 0.105 121.465 121.223 0.229 0.000 2.017 347 L HA -0.242 4.098 4.340 0.000 0.000 0.208 347 L C 2.464 179.441 176.870 0.178 0.000 1.073 347 L CA 1.637 56.611 54.840 0.224 0.000 0.745 347 L CB -0.192 41.998 42.059 0.218 0.000 0.894 347 L HN 0.390 nan 8.230 nan 0.000 0.432 348 M N -1.047 118.648 119.600 0.158 0.000 2.086 348 M HA -0.164 4.316 4.480 0.000 0.000 0.261 348 M C 2.173 178.434 176.300 -0.065 0.000 1.067 348 M CA 1.981 57.303 55.300 0.037 0.000 1.116 348 M CB -0.935 31.736 32.600 0.117 0.000 1.348 348 M HN 0.350 nan 8.290 nan 0.000 0.407 349 G N -1.174 107.724 108.800 0.163 0.000 2.440 349 G HA2 -0.295 3.665 3.960 0.000 0.000 0.218 349 G HA3 -0.295 3.665 3.960 0.000 0.000 0.218 349 G C 1.221 176.197 174.900 0.128 0.000 1.154 349 G CA 1.501 46.724 45.100 0.204 0.000 0.767 349 G HN 0.478 nan 8.290 nan 0.000 0.552 350 H N 0.016 119.132 119.070 0.078 0.000 2.363 350 H HA 0.055 4.611 4.556 0.000 0.000 0.301 350 H C 2.643 177.997 175.328 0.043 0.000 1.074 350 H CA 1.620 57.706 56.048 0.063 0.000 1.354 350 H CB 0.042 29.847 29.762 0.071 0.000 1.397 350 H HN 0.184 nan 8.280 nan 0.000 0.516 351 Q N 0.103 119.847 119.800 -0.094 0.000 2.167 351 Q HA -0.069 4.271 4.340 0.000 0.000 0.202 351 Q C 2.538 178.442 176.000 -0.159 0.000 0.970 351 Q CA 1.021 56.736 55.803 -0.145 0.000 0.855 351 Q CB -0.075 28.631 28.738 -0.053 0.000 0.911 351 Q HN 0.519 nan 8.270 nan 0.000 0.438 352 L N -0.028 121.093 121.223 -0.169 0.000 2.179 352 L HA -0.071 4.269 4.340 0.000 0.000 0.208 352 L C 2.165 178.968 176.870 -0.112 0.000 1.096 352 L CA 1.602 56.334 54.840 -0.181 0.000 0.779 352 L CB -0.168 41.712 42.059 -0.299 0.000 0.922 352 L HN 0.281 nan 8.230 nan 0.000 0.443 353 T N -5.729 108.774 114.554 -0.084 0.000 2.959 353 T HA 0.252 4.602 4.350 0.000 0.000 0.254 353 T C 1.451 176.121 174.700 -0.049 0.000 1.003 353 T CA 0.487 62.563 62.100 -0.040 0.000 0.950 353 T CB 0.884 69.753 68.868 0.002 0.000 1.090 353 T HN 0.304 nan 8.240 nan 0.000 0.503 354 G N 1.980 110.707 108.800 -0.123 0.000 2.155 354 G HA2 -0.245 3.715 3.960 0.000 0.000 0.257 354 G HA3 -0.245 3.715 3.960 0.000 0.000 0.257 354 G C 0.259 175.170 174.900 0.017 0.000 0.983 354 G CA 0.745 45.776 45.100 -0.116 0.000 0.676 354 G HN 1.233 nan 8.290 nan 0.000 0.528 355 T N -2.236 112.379 114.554 0.102 0.000 2.948 355 T HA 0.845 5.195 4.350 0.000 0.000 0.285 355 T C 0.572 175.414 174.700 0.237 0.000 1.019 355 T CA 0.315 62.492 62.100 0.127 0.000 1.013 355 T CB 2.068 70.963 68.868 0.044 0.000 1.117 355 T HN 1.706 nan 8.240 nan 0.000 0.533 356 A N 1.681 124.564 122.820 0.105 0.000 2.445 356 A HA 0.506 4.826 4.320 0.000 0.000 0.242 356 A C 0.240 177.882 177.584 0.097 0.000 1.075 356 A CA -0.531 51.533 52.037 0.045 0.000 0.777 356 A CB -0.026 18.971 19.000 -0.005 0.000 1.013 356 A HN 0.748 nan 8.150 nan 0.000 0.493 357 Q N 0.786 120.635 119.800 0.082 0.000 2.309 357 Q HA 0.475 4.815 4.340 0.000 0.000 0.264 357 Q C -1.017 175.043 176.000 0.100 0.000 1.008 357 Q CA -0.650 55.223 55.803 0.118 0.000 0.853 357 Q CB 1.885 30.706 28.738 0.139 0.000 1.314 357 Q HN 0.415 nan 8.270 nan 0.000 0.448 358 V N 3.396 123.359 119.914 0.080 0.000 2.350 358 V HA 0.256 4.376 4.120 0.000 0.000 0.276 358 V C -0.345 175.775 176.094 0.043 0.000 1.028 358 V CA -0.620 61.714 62.300 0.056 0.000 0.860 358 V CB 0.375 32.190 31.823 -0.013 0.000 0.990 358 V HN 0.594 nan 8.190 nan 0.000 0.453 359 F N 4.903 124.802 119.950 -0.084 0.000 2.427 359 F HA 0.683 5.210 4.527 0.000 0.000 0.352 359 F C 0.385 176.066 175.800 -0.198 0.000 1.100 359 F CA -0.314 57.606 58.000 -0.133 0.000 1.191 359 F CB 0.777 39.692 39.000 -0.142 0.000 1.128 359 F HN 0.571 nan 8.300 nan 0.000 0.533 360 A N 5.226 127.962 122.820 -0.140 0.000 2.515 360 A HA 0.436 4.756 4.320 0.000 0.000 0.298 360 A C -1.489 176.018 177.584 -0.130 0.000 1.059 360 A CA -0.875 51.093 52.037 -0.116 0.000 0.698 360 A CB 1.142 20.020 19.000 -0.203 0.000 1.289 360 A HN 0.660 nan 8.150 nan 0.000 0.404 361 D N 1.280 121.650 120.400 -0.049 0.000 2.225 361 D HA 0.348 4.988 4.640 0.000 0.000 0.248 361 D C -0.421 175.855 176.300 -0.041 0.000 1.096 361 D CA 0.018 54.062 54.000 0.072 0.000 0.863 361 D CB 1.890 42.741 40.800 0.084 0.000 1.156 361 D HN 0.181 nan 8.370 nan 0.000 0.450 362 V N 4.854 124.751 119.914 -0.029 0.000 2.223 362 V HA 0.063 4.183 4.120 0.000 0.000 0.249 362 V C 1.769 177.845 176.094 -0.030 0.000 1.233 362 V CA 0.090 62.330 62.300 -0.100 0.000 1.131 362 V CB 0.352 32.075 31.823 -0.168 0.000 1.298 362 V HN 0.453 nan 8.190 nan 0.000 0.498 363 R N 2.514 122.994 120.500 -0.034 0.000 2.062 363 R HA 0.031 4.371 4.340 0.000 0.000 0.226 363 R C 0.230 176.557 176.300 0.045 0.000 1.125 363 R CA 1.150 57.250 56.100 0.001 0.000 0.966 363 R CB 0.359 30.630 30.300 -0.049 0.000 0.861 363 R HN 0.640 nan 8.270 nan 0.000 0.433 364 T N -0.698 113.924 114.554 0.114 0.000 2.956 364 T HA 0.197 4.547 4.350 0.000 0.000 0.312 364 T C -1.878 172.920 174.700 0.162 0.000 1.151 364 T CA -0.570 61.572 62.100 0.071 0.000 1.024 364 T CB 1.710 70.573 68.868 -0.008 0.000 1.140 364 T HN 0.115 nan 8.240 nan 0.000 0.473 365 Y N 1.292 121.566 120.300 -0.042 0.000 2.335 365 Y HA 0.604 5.154 4.550 0.000 0.000 0.339 365 Y C -1.658 174.235 175.900 -0.011 0.000 0.987 365 Y CA -2.036 56.103 58.100 0.064 0.000 1.140 365 Y CB 0.699 39.200 38.460 0.068 0.000 1.173 365 Y HN 0.709 nan 8.280 nan 0.000 0.486 366 W N 6.261 127.295 121.300 -0.444 0.000 2.278 366 W HA 0.473 5.133 4.660 0.000 0.000 0.317 366 W C -0.022 176.060 176.519 -0.728 0.000 1.030 366 W CA -0.646 56.429 57.345 -0.450 0.000 1.334 366 W CB 1.311 30.689 29.460 -0.136 0.000 1.215 366 W HN 0.707 nan 8.180 nan 0.000 0.405 367 S N 3.593 118.942 115.700 -0.584 0.000 2.603 367 S HA 0.286 4.756 4.470 0.000 0.000 0.268 367 S C -1.306 173.295 174.600 0.002 0.000 1.317 367 S CA -1.102 56.941 58.200 -0.261 0.000 1.012 367 S CB 1.437 64.609 63.200 -0.047 0.000 0.926 367 S HN 0.361 nan 8.310 nan 0.000 0.539 368 P HA -0.100 nan 4.420 nan 0.000 0.218 368 P C 0.788 178.111 177.300 0.037 0.000 1.148 368 P CA 1.224 64.349 63.100 0.041 0.000 0.822 368 P CB 0.024 31.749 31.700 0.041 0.000 0.784 369 E N 0.548 120.776 120.200 0.047 0.000 2.072 369 E HA -0.089 4.261 4.350 0.000 0.000 0.191 369 E C 2.328 178.963 176.600 0.059 0.000 0.985 369 E CA 1.560 57.986 56.400 0.043 0.000 0.801 369 E CB -1.259 28.465 29.700 0.040 0.000 0.750 369 E HN 0.196 nan 8.360 nan 0.000 0.452 370 A N 0.955 123.825 122.820 0.084 0.000 1.930 370 A HA -0.151 4.169 4.320 0.000 0.000 0.217 370 A C 2.096 179.819 177.584 0.232 0.000 1.175 370 A CA 1.045 53.179 52.037 0.161 0.000 0.627 370 A CB -0.467 18.626 19.000 0.156 0.000 0.815 370 A HN 0.128 nan 8.150 nan 0.000 0.443 371 I N -0.099 120.567 120.570 0.159 0.000 2.142 371 I HA -0.229 3.941 4.170 0.000 0.000 0.240 371 I C 2.468 178.568 176.117 -0.029 0.000 1.078 371 I CA 1.969 63.259 61.300 -0.018 0.000 1.343 371 I CB -1.389 36.549 38.000 -0.104 0.000 1.046 371 I HN 0.575 nan 8.210 nan 0.000 0.405 372 E N 1.062 121.265 120.200 0.005 0.000 2.051 372 E HA -0.269 4.081 4.350 0.000 0.000 0.192 372 E C 2.444 179.056 176.600 0.020 0.000 0.991 372 E CA 1.215 57.621 56.400 0.009 0.000 0.799 372 E CB -0.061 29.644 29.700 0.008 0.000 0.748 372 E HN 0.260 nan 8.360 nan 0.000 0.449 373 R N 0.345 120.868 120.500 0.038 0.000 2.094 373 R HA -0.175 4.165 4.340 0.000 0.000 0.239 373 R C 2.441 178.766 176.300 0.043 0.000 1.137 373 R CA 2.159 58.285 56.100 0.043 0.000 0.943 373 R CB -0.375 29.959 30.300 0.057 0.000 0.850 373 R HN 0.316 nan 8.270 nan 0.000 0.433 374 V N -2.054 117.894 119.914 0.056 0.000 2.951 374 V HA 0.031 4.151 4.120 0.000 0.000 0.255 374 V C 1.603 177.682 176.094 -0.025 0.000 1.088 374 V CA 1.696 64.018 62.300 0.037 0.000 1.109 374 V CB 0.185 32.067 31.823 0.098 0.000 0.724 374 V HN 0.571 nan 8.190 nan 0.000 0.471 375 T N -4.933 109.591 114.554 -0.050 0.000 2.975 375 T HA 0.488 4.838 4.350 0.000 0.000 0.261 375 T C 1.750 176.490 174.700 0.066 0.000 0.984 375 T CA 1.008 63.069 62.100 -0.066 0.000 0.911 375 T CB 0.694 69.436 68.868 -0.211 0.000 1.127 375 T HN 1.440 nan 8.240 nan 0.000 0.514 376 G N 1.505 110.342 108.800 0.061 0.000 2.304 376 G HA2 -0.267 3.693 3.960 0.000 0.000 0.252 376 G HA3 -0.267 3.693 3.960 0.000 0.000 0.252 376 G C -0.047 174.899 174.900 0.078 0.000 1.014 376 G CA 0.310 45.453 45.100 0.073 0.000 0.619 376 G HN 0.768 nan 8.290 nan 0.000 0.525 377 H N 0.788 119.807 119.070 -0.086 0.000 2.707 377 H HA 0.554 5.110 4.556 0.000 0.000 0.359 377 H C 0.587 175.862 175.328 -0.089 0.000 1.113 377 H CA 0.470 56.463 56.048 -0.091 0.000 1.422 377 H CB 0.940 30.632 29.762 -0.117 0.000 1.443 377 H HN 0.380 nan 8.280 nan 0.000 0.591 378 K N 2.714 123.110 120.400 -0.007 0.000 2.240 378 K HA 0.225 4.545 4.320 0.000 0.000 0.271 378 K C -0.984 175.596 176.600 -0.034 0.000 1.018 378 K CA -0.886 55.383 56.287 -0.031 0.000 0.874 378 K CB 0.532 33.000 32.500 -0.052 0.000 1.098 378 K HN 0.259 nan 8.250 nan 0.000 0.458 379 L N 5.659 126.854 121.223 -0.047 0.000 2.369 379 L HA 0.146 4.486 4.340 0.000 0.000 0.279 379 L C -0.258 176.567 176.870 -0.075 0.000 1.108 379 L CA 0.419 55.220 54.840 -0.065 0.000 0.852 379 L CB 0.518 42.533 42.059 -0.074 0.000 1.169 379 L HN 0.762 nan 8.230 nan 0.000 0.452 380 D N 2.129 122.486 120.400 -0.072 0.000 2.467 380 D HA 0.794 5.434 4.640 0.000 0.000 0.245 380 D C 0.460 176.714 176.300 -0.077 0.000 1.038 380 D CA 0.001 53.954 54.000 -0.079 0.000 1.038 380 D CB 1.035 41.794 40.800 -0.067 0.000 1.278 380 D HN 0.693 nan 8.370 nan 0.000 0.564 381 G N -0.792 107.960 108.800 -0.081 0.000 2.525 381 G HA2 -0.255 3.705 3.960 0.000 0.000 0.248 381 G HA3 -0.255 3.705 3.960 0.000 0.000 0.248 381 G C 0.622 175.476 174.900 -0.077 0.000 1.238 381 G CA 0.104 45.154 45.100 -0.083 0.000 0.926 381 G HN 0.527 nan 8.290 nan 0.000 0.574 382 L N 0.634 121.807 121.223 -0.085 0.000 2.127 382 L HA 0.028 4.368 4.340 0.000 0.000 0.211 382 L C 3.420 180.313 176.870 0.039 0.000 1.089 382 L CA 3.062 57.870 54.840 -0.054 0.000 0.757 382 L CB -2.003 40.011 42.059 -0.075 0.000 0.899 382 L HN 1.135 nan 8.230 nan 0.000 0.434 383 A N -0.881 121.947 122.820 0.014 0.000 2.238 383 A HA -0.114 4.206 4.320 0.000 0.000 0.208 383 A C 2.177 179.762 177.584 0.003 0.000 1.177 383 A CA 0.515 52.571 52.037 0.031 0.000 0.804 383 A CB -0.532 18.456 19.000 -0.020 0.000 0.823 383 A HN 0.477 nan 8.150 nan 0.000 0.482 384 E N -0.224 119.939 120.200 -0.061 0.000 2.171 384 E HA -0.269 4.081 4.350 0.000 0.000 0.197 384 E C 0.889 177.343 176.600 -0.244 0.000 0.997 384 E CA 1.620 57.902 56.400 -0.197 0.000 0.810 384 E CB -0.149 29.352 29.700 -0.330 0.000 0.738 384 E HN 0.865 nan 8.360 nan 0.000 0.467 385 H N -1.379 117.743 119.070 0.087 0.000 2.549 385 H HA 0.383 4.939 4.556 0.000 0.000 0.279 385 H C 0.261 175.708 175.328 0.198 0.000 1.018 385 H CA 0.168 56.293 56.048 0.128 0.000 1.175 385 H CB 1.308 31.148 29.762 0.130 0.000 1.485 385 H HN 0.283 nan 8.280 nan 0.000 0.543 386 G N 0.048 109.006 108.800 0.263 0.000 2.392 386 G HA2 0.015 3.975 3.960 0.000 0.000 0.677 386 G HA3 0.015 3.975 3.960 0.000 0.000 0.677 386 G C -1.561 173.525 174.900 0.309 0.000 1.334 386 G CA -0.722 44.564 45.100 0.310 0.000 0.961 386 G HN 0.159 nan 8.290 nan 0.000 0.616 387 I N -0.293 120.478 120.570 0.336 0.000 2.913 387 I HA 0.648 4.818 4.170 0.000 0.000 0.302 387 I C -0.721 175.709 176.117 0.522 0.000 1.246 387 I CA -1.396 60.132 61.300 0.379 0.000 1.010 387 I CB 2.199 40.363 38.000 0.272 0.000 1.259 387 I HN 0.543 nan 8.210 nan 0.000 0.434 388 I N 4.655 125.547 120.570 0.536 0.000 2.406 388 I HA 0.287 4.457 4.170 0.000 0.000 0.290 388 I C -0.345 176.085 176.117 0.522 0.000 0.999 388 I CA -0.562 61.041 61.300 0.504 0.000 1.124 388 I CB 1.539 39.763 38.000 0.372 0.000 1.289 388 I HN 0.487 nan 8.210 nan 0.000 0.441 389 H N 7.309 126.592 119.070 0.354 0.000 2.782 389 H HA 0.428 4.984 4.556 0.000 0.000 0.285 389 H C -1.108 174.186 175.328 -0.057 0.000 1.093 389 H CA -0.701 55.395 56.048 0.080 0.000 1.410 389 H CB 0.749 30.615 29.762 0.174 0.000 1.439 389 H HN 0.432 nan 8.280 nan 0.000 0.469 390 L N 8.253 129.429 121.223 -0.079 0.000 2.276 390 L HA 0.391 4.731 4.340 0.000 0.000 0.286 390 L C -0.664 176.017 176.870 -0.314 0.000 1.024 390 L CA -0.567 54.145 54.840 -0.213 0.000 0.826 390 L CB 1.049 42.973 42.059 -0.225 0.000 1.211 390 L HN 0.580 nan 8.230 nan 0.000 0.422 391 I N 1.109 121.480 120.570 -0.332 0.000 2.534 391 I HA 0.353 4.523 4.170 0.000 0.000 0.286 391 I C -0.566 175.443 176.117 -0.180 0.000 1.094 391 I CA -0.702 60.432 61.300 -0.277 0.000 1.055 391 I CB 1.804 39.633 38.000 -0.285 0.000 1.225 391 I HN 0.400 nan 8.210 nan 0.000 0.435 392 N N 3.112 121.683 118.700 -0.215 0.000 2.513 392 N HA 0.151 4.891 4.740 0.000 0.000 0.274 392 N C 0.727 175.879 175.510 -0.596 0.000 1.189 392 N CA -0.232 52.660 53.050 -0.262 0.000 0.975 392 N CB 1.274 39.641 38.487 -0.200 0.000 1.157 392 N HN 0.655 nan 8.380 nan 0.000 0.465 393 S N 1.120 116.329 115.700 -0.819 0.000 3.361 393 S HA 0.263 4.733 4.470 0.000 0.000 0.246 393 S C 1.138 174.659 174.600 -1.799 0.000 1.237 393 S CA 0.118 57.241 58.200 -1.796 0.000 1.240 393 S CB -1.129 61.465 63.200 -1.011 0.000 1.154 393 S HN 0.893 nan 8.310 nan 0.000 0.461 394 G N -0.009 107.886 108.800 -1.507 0.000 2.705 394 G HA2 -0.106 3.854 3.960 0.000 0.000 0.193 394 G HA3 -0.106 3.854 3.960 0.000 0.000 0.193 394 G C 0.045 174.691 174.900 -0.423 0.000 1.015 394 G CA -0.115 44.470 45.100 -0.860 0.000 0.743 394 G HN 1.444 nan 8.290 nan 0.000 0.476 395 S N -0.466 114.997 115.700 -0.395 0.000 2.599 395 S HA 1.021 5.491 4.470 0.000 0.000 0.287 395 S C -0.463 174.021 174.600 -0.193 0.000 1.105 395 S CA 0.361 58.424 58.200 -0.229 0.000 0.899 395 S CB 2.692 65.784 63.200 -0.180 0.000 1.100 395 S HN 2.200 nan 8.310 nan 0.000 0.482 396 A N 0.549 123.335 122.820 -0.058 0.000 2.585 396 A HA 0.777 5.097 4.320 0.000 0.000 0.299 396 A C -0.296 177.404 177.584 0.194 0.000 1.047 396 A CA -0.432 51.644 52.037 0.065 0.000 0.723 396 A CB 0.257 19.292 19.000 0.058 0.000 1.275 396 A HN 2.160 nan 8.150 nan 0.000 0.408 397 A N 1.436 124.339 122.820 0.138 0.000 2.566 397 A HA 0.419 4.739 4.320 0.000 0.000 0.245 397 A C 1.132 178.739 177.584 0.037 0.000 1.056 397 A CA 0.271 52.340 52.037 0.053 0.000 0.757 397 A CB -0.466 18.541 19.000 0.011 0.000 0.979 397 A HN 1.256 nan 8.150 nan 0.000 0.508 398 L N 1.584 122.788 121.223 -0.031 0.000 2.261 398 L HA -0.190 4.150 4.340 0.000 0.000 0.216 398 L C 1.370 178.102 176.870 -0.230 0.000 1.114 398 L CA 1.401 56.167 54.840 -0.124 0.000 0.777 398 L CB -0.659 41.469 42.059 0.116 0.000 0.910 398 L HN 0.696 nan 8.230 nan 0.000 0.440 399 D N 0.657 121.001 120.400 -0.093 0.000 2.218 399 D HA -0.137 4.503 4.640 0.000 0.000 0.204 399 D C 2.188 178.412 176.300 -0.128 0.000 0.976 399 D CA 1.220 55.209 54.000 -0.018 0.000 0.853 399 D CB -0.286 40.529 40.800 0.025 0.000 0.939 399 D HN 0.324 nan 8.370 nan 0.000 0.481 400 G N 0.436 109.099 108.800 -0.228 0.000 2.501 400 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 400 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 400 G C 1.615 176.290 174.900 -0.375 0.000 1.114 400 G CA 1.191 46.191 45.100 -0.166 0.000 0.757 400 G HN 0.424 nan 8.290 nan 0.000 0.559 401 S N -1.045 114.156 115.700 -0.832 0.000 2.447 401 S HA -0.077 4.393 4.470 0.000 0.000 0.233 401 S C 1.307 175.833 174.600 -0.122 0.000 1.006 401 S CA 0.712 58.590 58.200 -0.536 0.000 0.957 401 S CB -0.607 62.270 63.200 -0.538 0.000 0.773 401 S HN 0.739 nan 8.310 nan 0.000 0.507 402 C N 1.536 120.792 119.300 -0.073 0.000 4.529 402 C HA -0.080 4.380 4.460 0.000 0.000 0.296 402 C C 1.383 176.365 174.990 -0.014 0.000 1.353 402 C CA 0.626 59.648 59.018 0.007 0.000 2.011 402 C CB -2.299 25.491 27.740 0.083 0.000 1.235 402 C HN 0.537 nan 8.230 nan 0.000 0.784 403 K N -0.181 120.195 120.400 -0.039 0.000 2.426 403 K HA 0.080 4.400 4.320 0.000 0.000 0.193 403 K C 1.070 177.651 176.600 -0.032 0.000 1.028 403 K CA 0.573 56.839 56.287 -0.035 0.000 1.047 403 K CB 0.170 32.641 32.500 -0.048 0.000 0.821 403 K HN 0.744 nan 8.250 nan 0.000 0.513 404 Q N 0.707 120.490 119.800 -0.028 0.000 2.368 404 Q HA 0.169 4.509 4.340 0.000 0.000 0.237 404 Q C -0.083 175.898 176.000 -0.032 0.000 0.987 404 Q CA 0.037 55.822 55.803 -0.030 0.000 0.896 404 Q CB 0.813 29.536 28.738 -0.025 0.000 1.241 404 Q HN -0.147 nan 8.270 nan 0.000 0.485 405 R N 1.323 121.803 120.500 -0.034 0.000 2.750 405 R HA 0.279 4.619 4.340 0.000 0.000 0.281 405 R C -0.944 175.334 176.300 -0.038 0.000 0.972 405 R CA -0.748 55.332 56.100 -0.033 0.000 0.912 405 R CB 1.312 31.596 30.300 -0.027 0.000 1.187 405 R HN 0.780 nan 8.270 nan 0.000 0.464 406 D N -0.201 120.176 120.400 -0.038 0.000 2.511 406 D HA 0.164 4.804 4.640 0.000 0.000 0.276 406 D C 0.580 176.862 176.300 -0.030 0.000 1.220 406 D CA -0.573 53.403 54.000 -0.040 0.000 1.077 406 D CB 0.180 40.953 40.800 -0.044 0.000 1.126 406 D HN 0.221 nan 8.370 nan 0.000 0.583 407 S N -0.658 115.026 115.700 -0.027 0.000 2.359 407 S HA -0.189 4.281 4.470 0.000 0.000 0.224 407 S C 1.395 175.984 174.600 -0.018 0.000 1.035 407 S CA 1.310 59.498 58.200 -0.020 0.000 1.018 407 S CB -0.499 62.691 63.200 -0.017 0.000 0.876 407 S HN 0.577 nan 8.310 nan 0.000 0.448 408 E N 0.357 120.545 120.200 -0.020 0.000 2.516 408 E HA 0.145 4.495 4.350 0.000 0.000 0.199 408 E C 1.312 177.902 176.600 -0.018 0.000 1.069 408 E CA 0.286 56.675 56.400 -0.018 0.000 0.876 408 E CB -0.204 29.485 29.700 -0.018 0.000 0.843 408 E HN 0.624 nan 8.360 nan 0.000 0.530 409 G N 1.636 110.425 108.800 -0.019 0.000 2.176 409 G HA2 -0.234 3.726 3.960 0.000 0.000 0.253 409 G HA3 -0.234 3.726 3.960 0.000 0.000 0.253 409 G C 0.056 174.945 174.900 -0.019 0.000 0.979 409 G CA -0.165 44.925 45.100 -0.018 0.000 0.641 409 G HN 0.194 nan 8.290 nan 0.000 0.530 410 N N 2.031 120.718 118.700 -0.022 0.000 2.525 410 N HA 0.373 5.113 4.740 0.000 0.000 0.271 410 N C -2.449 173.046 175.510 -0.025 0.000 1.194 410 N CA -0.942 52.095 53.050 -0.022 0.000 0.964 410 N CB 1.104 39.575 38.487 -0.026 0.000 1.126 410 N HN 0.203 nan 8.380 nan 0.000 0.452 411 P HA 0.067 nan 4.420 nan 0.000 0.271 411 P C -0.161 177.116 177.300 -0.038 0.000 1.216 411 P CA 0.240 63.331 63.100 -0.016 0.000 0.771 411 P CB 1.028 32.733 31.700 0.008 0.000 0.864 412 T N 1.860 116.388 114.554 -0.044 0.000 2.648 412 T HA 0.625 4.975 4.350 0.000 0.000 0.304 412 T C -1.572 173.098 174.700 -0.050 0.000 1.312 412 T CA -0.607 61.449 62.100 -0.074 0.000 1.023 412 T CB 0.827 69.645 68.868 -0.082 0.000 1.612 412 T HN 0.291 nan 8.240 nan 0.000 0.487 413 M N 2.103 121.667 119.600 -0.061 0.000 2.263 413 M HA 0.503 4.983 4.480 0.000 0.000 0.295 413 M C -1.010 175.251 176.300 -0.064 0.000 1.028 413 M CA -0.665 54.620 55.300 -0.025 0.000 0.921 413 M CB 2.302 34.921 32.600 0.032 0.000 1.601 413 M HN 0.380 nan 8.290 nan 0.000 0.440 414 K N 2.271 122.620 120.400 -0.085 0.000 2.295 414 K HA 0.709 5.029 4.320 0.000 0.000 0.239 414 K C -2.746 173.695 176.600 -0.265 0.000 0.991 414 K CA -1.964 54.219 56.287 -0.172 0.000 0.845 414 K CB 1.456 33.850 32.500 -0.177 0.000 1.197 414 K HN 0.215 nan 8.250 nan 0.000 0.441 415 P HA -0.014 nan 4.420 nan 0.000 0.268 415 P C -0.154 176.663 177.300 -0.806 0.000 1.205 415 P CA 0.070 62.629 63.100 -0.901 0.000 0.771 415 P CB 0.249 30.820 31.700 -1.881 0.000 0.858 416 H N 1.526 120.328 119.070 -0.446 0.000 2.460 416 H HA -0.207 4.349 4.556 0.000 0.000 0.297 416 H C 1.199 176.489 175.328 -0.064 0.000 1.103 416 H CA 1.398 57.354 56.048 -0.153 0.000 1.292 416 H CB -1.095 28.667 29.762 0.001 0.000 1.376 416 H HN 0.597 nan 8.280 nan 0.000 0.531 417 W N 0.999 122.031 121.300 -0.446 0.000 2.937 417 W HA 0.212 4.872 4.660 0.000 0.000 0.245 417 W C 0.779 177.234 176.519 -0.107 0.000 1.306 417 W CA 0.210 57.403 57.345 -0.254 0.000 1.470 417 W CB 0.112 29.386 29.460 -0.311 0.000 1.132 417 W HN 0.187 nan 8.180 nan 0.000 0.675 418 E N 0.621 120.653 120.200 -0.279 0.000 2.538 418 E HA 0.195 4.545 4.350 0.000 0.000 0.207 418 E C 0.140 176.684 176.600 -0.094 0.000 1.002 418 E CA -0.211 56.103 56.400 -0.143 0.000 0.952 418 E CB 0.334 29.898 29.700 -0.227 0.000 1.031 418 E HN 0.241 nan 8.360 nan 0.000 0.476 419 I N 2.302 122.830 120.570 -0.069 0.000 2.342 419 I HA 0.075 4.245 4.170 0.000 0.000 0.291 419 I C 0.514 176.634 176.117 0.005 0.000 1.010 419 I CA -0.485 60.803 61.300 -0.020 0.000 1.308 419 I CB 1.227 39.245 38.000 0.029 0.000 1.400 419 I HN -0.028 nan 8.210 nan 0.000 0.488 420 S N 4.026 119.719 115.700 -0.013 0.000 2.646 420 S HA 0.193 4.663 4.470 0.000 0.000 0.276 420 S C 0.613 175.195 174.600 -0.030 0.000 1.222 420 S CA -0.675 57.520 58.200 -0.009 0.000 1.014 420 S CB 1.941 65.133 63.200 -0.013 0.000 0.991 420 S HN 0.627 nan 8.310 nan 0.000 0.533 421 Q N 0.905 120.695 119.800 -0.018 0.000 2.197 421 Q HA -0.189 4.151 4.340 0.000 0.000 0.207 421 Q C 2.042 178.004 176.000 -0.063 0.000 0.984 421 Q CA 2.033 57.817 55.803 -0.032 0.000 0.869 421 Q CB -0.577 28.163 28.738 0.004 0.000 0.906 421 Q HN 0.883 nan 8.270 nan 0.000 0.426 422 Q N -0.346 119.426 119.800 -0.047 0.000 2.084 422 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 422 Q C 1.989 177.939 176.000 -0.083 0.000 0.978 422 Q CA 1.645 57.418 55.803 -0.051 0.000 0.844 422 Q CB -0.081 28.638 28.738 -0.032 0.000 0.898 422 Q HN 0.535 nan 8.270 nan 0.000 0.426 423 E N 0.472 120.617 120.200 -0.091 0.000 2.106 423 E HA -0.145 4.205 4.350 0.000 0.000 0.192 423 E C 1.978 178.451 176.600 -0.212 0.000 0.984 423 E CA 0.734 57.070 56.400 -0.108 0.000 0.806 423 E CB -0.095 29.562 29.700 -0.071 0.000 0.750 423 E HN 0.347 nan 8.360 nan 0.000 0.458 424 A N 2.014 124.636 122.820 -0.331 0.000 1.858 424 A HA -0.235 4.085 4.320 0.000 0.000 0.216 424 A C 1.737 178.937 177.584 -0.639 0.000 1.190 424 A CA 1.847 53.379 52.037 -0.842 0.000 0.617 424 A CB -0.450 18.086 19.000 -0.774 0.000 0.827 424 A HN 0.098 nan 8.150 nan 0.000 0.443 425 D N 0.194 120.417 120.400 -0.295 0.000 2.144 425 D HA -0.076 4.564 4.640 0.000 0.000 0.199 425 D C 2.166 178.397 176.300 -0.115 0.000 0.984 425 D CA 1.488 55.401 54.000 -0.145 0.000 0.834 425 D CB -0.491 40.270 40.800 -0.066 0.000 0.955 425 D HN 0.449 nan 8.370 nan 0.000 0.465 426 A N 0.472 123.221 122.820 -0.118 0.000 1.933 426 A HA -0.181 4.139 4.320 0.000 0.000 0.218 426 A C 2.532 180.072 177.584 -0.072 0.000 1.175 426 A CA 1.226 53.216 52.037 -0.078 0.000 0.628 426 A CB -0.892 18.067 19.000 -0.068 0.000 0.814 426 A HN 0.345 nan 8.150 nan 0.000 0.444 427 C N -1.089 118.152 119.300 -0.097 0.000 2.440 427 C HA -0.005 4.455 4.460 0.000 0.000 0.278 427 C C 2.548 177.551 174.990 0.022 0.000 1.295 427 C CA 0.862 59.861 59.018 -0.031 0.000 1.738 427 C CB -1.410 26.387 27.740 0.095 0.000 1.987 427 C HN 0.654 nan 8.230 nan 0.000 0.492 428 L N 0.809 122.055 121.223 0.038 0.000 2.056 428 L HA -0.124 4.216 4.340 0.000 0.000 0.207 428 L C 2.756 179.640 176.870 0.023 0.000 1.078 428 L CA 1.553 56.455 54.840 0.104 0.000 0.749 428 L CB -0.517 41.609 42.059 0.112 0.000 0.901 428 L HN 0.338 nan 8.230 nan 0.000 0.433 429 A N -0.572 122.242 122.820 -0.010 0.000 2.067 429 A HA -0.066 4.254 4.320 0.000 0.000 0.219 429 A C 2.149 179.721 177.584 -0.021 0.000 1.158 429 A CA 1.359 53.387 52.037 -0.015 0.000 0.661 429 A CB -0.462 18.526 19.000 -0.018 0.000 0.801 429 A HN 0.448 nan 8.150 nan 0.000 0.452 430 A N -1.030 121.774 122.820 -0.027 0.000 2.251 430 A HA 0.352 4.672 4.320 0.000 0.000 0.209 430 A C 0.811 178.385 177.584 -0.016 0.000 1.187 430 A CA 0.685 52.711 52.037 -0.019 0.000 0.823 430 A CB -0.240 18.743 19.000 -0.029 0.000 0.846 430 A HN 0.282 nan 8.150 nan 0.000 0.486 431 T N 0.798 115.307 114.554 -0.074 0.000 2.855 431 T HA 0.495 4.845 4.350 0.000 0.000 0.281 431 T C -0.693 173.808 174.700 -0.332 0.000 1.007 431 T CA -0.406 61.574 62.100 -0.200 0.000 1.009 431 T CB 1.599 70.264 68.868 -0.338 0.000 0.983 431 T HN 0.378 nan 8.240 nan 0.000 0.455 432 E N 1.354 121.324 120.200 -0.383 0.000 2.210 432 E HA 0.275 4.625 4.350 0.000 0.000 0.266 432 E C -1.232 175.112 176.600 -0.427 0.000 0.883 432 E CA -0.673 55.554 56.400 -0.289 0.000 0.761 432 E CB 1.634 31.285 29.700 -0.082 0.000 1.156 432 E HN 0.548 nan 8.360 nan 0.000 0.412 433 W N 2.932 124.135 121.300 -0.160 0.000 2.332 433 W HA 0.322 4.982 4.660 0.000 0.000 0.306 433 W C -0.445 176.225 176.519 0.252 0.000 1.149 433 W CA -0.472 56.843 57.345 -0.050 0.000 1.271 433 W CB 0.738 29.993 29.460 -0.342 0.000 1.243 433 W HN 0.350 nan 8.180 nan 0.000 0.459 434 C N 5.002 124.564 119.300 0.437 0.000 2.411 434 C HA 0.500 4.960 4.460 0.000 0.000 0.330 434 C C -1.935 173.280 174.990 0.375 0.000 1.224 434 C CA -1.965 57.286 59.018 0.389 0.000 1.770 434 C CB 1.358 29.226 27.740 0.214 0.000 2.297 434 C HN 0.359 nan 8.230 nan 0.000 0.507 435 P HA 0.183 nan 4.420 nan 0.000 0.265 435 P C -0.311 177.028 177.300 0.065 0.000 1.193 435 P CA 0.513 63.616 63.100 0.005 0.000 0.765 435 P CB 0.433 32.159 31.700 0.043 0.000 0.823 436 A N 4.227 127.054 122.820 0.012 0.000 2.445 436 A HA 0.182 4.502 4.320 0.000 0.000 0.242 436 A C 0.344 178.069 177.584 0.235 0.000 1.075 436 A CA -0.292 51.813 52.037 0.113 0.000 0.777 436 A CB -0.468 18.538 19.000 0.010 0.000 1.013 436 A HN 0.519 nan 8.150 nan 0.000 0.493 437 I N 2.397 123.186 120.570 0.365 0.000 2.494 437 I HA -0.020 4.150 4.170 0.000 0.000 0.289 437 I C 1.524 177.855 176.117 0.357 0.000 1.106 437 I CA 0.180 61.692 61.300 0.353 0.000 1.369 437 I CB 0.174 38.403 38.000 0.381 0.000 1.410 437 I HN 1.005 nan 8.210 nan 0.000 0.523 438 H N 4.960 124.103 119.070 0.121 0.000 2.325 438 H HA -0.258 4.298 4.556 0.000 0.000 0.293 438 H C 1.707 176.949 175.328 -0.143 0.000 1.106 438 H CA 2.426 58.450 56.048 -0.040 0.000 1.247 438 H CB 0.331 29.956 29.762 -0.227 0.000 1.359 438 H HN 0.601 nan 8.280 nan 0.000 0.488 439 E N -0.837 119.270 120.200 -0.155 0.000 2.171 439 E HA -0.198 4.152 4.350 0.000 0.000 0.197 439 E C 1.753 178.063 176.600 -0.484 0.000 0.997 439 E CA 1.698 57.885 56.400 -0.355 0.000 0.810 439 E CB -0.261 29.231 29.700 -0.347 0.000 0.738 439 E HN 0.674 nan 8.360 nan 0.000 0.467 440 Y N -2.097 118.072 120.300 -0.218 0.000 2.441 440 Y HA 0.188 4.738 4.550 0.000 0.000 0.288 440 Y C 0.336 175.794 175.900 -0.736 0.000 1.118 440 Y CA 0.209 58.032 58.100 -0.463 0.000 1.215 440 Y CB 0.482 38.654 38.460 -0.479 0.000 1.118 440 Y HN -0.111 nan 8.280 nan 0.000 0.547 441 F N 0.091 120.079 119.950 0.064 0.000 2.449 441 F HA 0.398 4.925 4.527 0.000 0.000 0.344 441 F C 0.864 176.568 175.800 -0.160 0.000 1.180 441 F CA -1.070 56.934 58.000 0.006 0.000 1.209 441 F CB 0.555 39.614 39.000 0.098 0.000 1.440 441 F HN -0.195 nan 8.300 nan 0.000 0.526 442 R N 0.623 120.988 120.500 -0.226 0.000 2.159 442 R HA -0.114 4.226 4.340 0.000 0.000 0.237 442 R C 2.107 178.316 176.300 -0.152 0.000 1.131 442 R CA 1.257 57.069 56.100 -0.480 0.000 0.982 442 R CB -0.227 29.830 30.300 -0.406 0.000 0.868 442 R HN 0.737 nan 8.270 nan 0.000 0.453 443 G N 0.025 108.819 108.800 -0.010 0.000 2.813 443 G HA2 0.296 4.256 3.960 0.000 0.000 0.209 443 G HA3 0.296 4.256 3.960 0.000 0.000 0.209 443 G C 0.581 175.551 174.900 0.117 0.000 1.150 443 G CA 0.322 45.453 45.100 0.053 0.000 0.785 443 G HN 0.579 nan 8.290 nan 0.000 0.535 444 G N -1.551 107.332 108.800 0.137 0.000 2.660 444 G HA2 0.467 4.427 3.960 0.000 0.000 0.215 444 G HA3 0.467 4.427 3.960 0.000 0.000 0.215 444 G C 0.186 175.122 174.900 0.060 0.000 1.345 444 G CA -0.079 45.080 45.100 0.099 0.000 0.877 444 G HN 2.026 nan 8.290 nan 0.000 0.549 445 G N -2.887 105.864 108.800 -0.081 0.000 2.368 445 G HA2 0.590 4.550 3.960 0.000 0.000 0.302 445 G HA3 0.590 4.550 3.960 0.000 0.000 0.302 445 G C -1.795 172.965 174.900 -0.234 0.000 1.329 445 G CA 0.060 45.122 45.100 -0.064 0.000 0.935 445 G HN 1.660 nan 8.290 nan 0.000 0.590 446 Y N 0.574 120.986 120.300 0.187 0.000 2.329 446 Y HA 0.631 5.181 4.550 0.000 0.000 0.328 446 Y C 0.586 176.678 175.900 0.319 0.000 0.992 446 Y CA -0.635 57.644 58.100 0.299 0.000 1.151 446 Y CB 2.336 41.036 38.460 0.401 0.000 1.150 446 Y HN 0.565 nan 8.280 nan 0.000 0.450 447 S N 1.580 117.490 115.700 0.350 0.000 2.565 447 S HA 0.318 4.788 4.470 0.000 0.000 0.274 447 S C -0.142 174.469 174.600 0.018 0.000 1.309 447 S CA -0.865 57.431 58.200 0.160 0.000 1.043 447 S CB 0.602 63.905 63.200 0.171 0.000 0.939 447 S HN 0.610 nan 8.310 nan 0.000 0.504 448 S N 2.735 118.292 115.700 -0.239 0.000 2.415 448 S HA 0.374 4.844 4.470 0.000 0.000 0.313 448 S C -0.296 174.021 174.600 -0.472 0.000 1.067 448 S CA -0.905 56.881 58.200 -0.691 0.000 1.099 448 S CB 0.215 63.049 63.200 -0.610 0.000 0.991 448 S HN 0.672 nan 8.310 nan 0.000 0.491 449 R N 3.078 123.335 120.500 -0.405 0.000 2.294 449 R HA 0.630 4.970 4.340 0.000 0.000 0.319 449 R C -1.183 175.009 176.300 -0.180 0.000 0.984 449 R CA -0.634 55.296 56.100 -0.284 0.000 0.861 449 R CB 0.446 30.674 30.300 -0.119 0.000 1.104 449 R HN 0.726 nan 8.270 nan 0.000 0.451 450 F N 1.977 121.860 119.950 -0.111 0.000 2.711 450 F HA 0.490 5.017 4.527 0.000 0.000 0.313 450 F C -2.143 173.639 175.800 -0.029 0.000 1.141 450 F CA -1.382 56.568 58.000 -0.084 0.000 0.941 450 F CB 1.222 40.160 39.000 -0.105 0.000 1.349 450 F HN 0.272 nan 8.300 nan 0.000 0.464 451 L N 2.249 123.671 121.223 0.330 0.000 2.343 451 L HA 0.497 4.837 4.340 0.000 0.000 0.278 451 L C -0.648 176.386 176.870 0.273 0.000 0.996 451 L CA -0.448 54.516 54.840 0.206 0.000 0.831 451 L CB 1.925 44.008 42.059 0.040 0.000 1.232 451 L HN 0.911 nan 8.230 nan 0.000 0.413 452 T N 3.733 118.467 114.554 0.300 0.000 2.888 452 T HA 0.086 4.436 4.350 0.000 0.000 0.301 452 T C 0.121 174.947 174.700 0.211 0.000 1.001 452 T CA -0.258 62.000 62.100 0.263 0.000 1.147 452 T CB 0.427 69.462 68.868 0.278 0.000 0.931 452 T HN 0.479 nan 8.240 nan 0.000 0.541 453 E N 1.574 121.878 120.200 0.173 0.000 2.415 453 E HA 0.222 4.572 4.350 0.000 0.000 0.262 453 E C 0.878 177.592 176.600 0.189 0.000 1.038 453 E CA -0.193 56.291 56.400 0.140 0.000 0.921 453 E CB 0.653 30.409 29.700 0.094 0.000 0.950 453 E HN 0.739 nan 8.360 nan 0.000 0.438 454 G N -0.121 108.772 108.800 0.155 0.000 2.562 454 G HA2 0.383 4.343 3.960 0.000 0.000 0.275 454 G HA3 0.383 4.343 3.960 0.000 0.000 0.275 454 G C 0.760 175.749 174.900 0.148 0.000 1.196 454 G CA -0.031 45.174 45.100 0.176 0.000 0.908 454 G HN 0.681 nan 8.290 nan 0.000 0.524 455 G N -2.154 106.745 108.800 0.165 0.000 2.153 455 G HA2 -0.154 3.806 3.960 0.000 0.000 0.252 455 G HA3 -0.154 3.806 3.960 0.000 0.000 0.252 455 G C 0.160 175.163 174.900 0.172 0.000 0.994 455 G CA 0.396 45.570 45.100 0.124 0.000 0.698 455 G HN 1.238 nan 8.290 nan 0.000 0.521 456 V N 2.273 122.318 119.914 0.219 0.000 2.427 456 V HA 0.525 4.645 4.120 0.000 0.000 0.286 456 V C -1.419 174.718 176.094 0.071 0.000 1.034 456 V CA -1.717 60.622 62.300 0.065 0.000 0.893 456 V CB 1.792 33.580 31.823 -0.059 0.000 0.982 456 V HN 0.208 nan 8.190 nan 0.000 0.452 457 P HA 0.389 nan 4.420 nan 0.000 0.276 457 P C -1.246 175.846 177.300 -0.346 0.000 1.230 457 P CA 0.003 62.919 63.100 -0.306 0.000 0.776 457 P CB 0.761 32.052 31.700 -0.681 0.000 0.888 458 F N 0.204 120.219 119.950 0.108 0.000 2.629 458 F HA 0.437 4.964 4.527 0.000 0.000 0.316 458 F C 0.252 176.198 175.800 0.243 0.000 1.081 458 F CA -0.267 57.851 58.000 0.197 0.000 0.954 458 F CB 2.169 41.323 39.000 0.257 0.000 1.337 458 F HN 0.070 nan 8.300 nan 0.000 0.474 459 T N 2.783 117.577 114.554 0.401 0.000 2.840 459 T HA 0.449 4.799 4.350 0.000 0.000 0.287 459 T C -0.751 173.974 174.700 0.041 0.000 0.991 459 T CA -0.452 61.767 62.100 0.198 0.000 0.964 459 T CB 1.130 70.095 68.868 0.163 0.000 0.954 459 T HN 0.544 nan 8.240 nan 0.000 0.438 460 M N 4.107 123.670 119.600 -0.061 0.000 2.238 460 M HA 0.568 5.048 4.480 0.000 0.000 0.350 460 M C -0.238 176.065 176.300 0.005 0.000 1.138 460 M CA -0.176 55.000 55.300 -0.207 0.000 1.040 460 M CB 0.834 33.080 32.600 -0.589 0.000 1.639 460 M HN 0.797 nan 8.290 nan 0.000 0.451 461 T N 1.616 116.176 114.554 0.010 0.000 2.865 461 T HA 0.893 5.243 4.350 0.000 0.000 0.294 461 T C -1.089 173.684 174.700 0.121 0.000 1.119 461 T CA -1.003 61.099 62.100 0.004 0.000 1.007 461 T CB 2.044 70.614 68.868 -0.497 0.000 1.225 461 T HN 0.804 nan 8.240 nan 0.000 0.515 462 R N 0.071 120.515 120.500 -0.093 0.000 2.644 462 R HA 0.630 4.971 4.340 0.000 0.000 0.257 462 R C -2.401 173.741 176.300 -0.264 0.000 1.082 462 R CA -0.572 55.419 56.100 -0.181 0.000 0.927 462 R CB 1.452 31.546 30.300 -0.343 0.000 1.258 462 R HN 0.719 nan 8.270 nan 0.000 0.459 463 V N 4.540 124.325 119.914 -0.214 0.000 2.513 463 V HA 0.667 4.787 4.120 0.000 0.000 0.299 463 V C -0.639 175.267 176.094 -0.313 0.000 1.035 463 V CA -0.773 61.382 62.300 -0.241 0.000 0.889 463 V CB 1.986 33.697 31.823 -0.186 0.000 0.988 463 V HN 0.788 nan 8.190 nan 0.000 0.440 464 N N 3.241 121.730 118.700 -0.352 0.000 2.284 464 N HA 0.601 5.341 4.740 0.000 0.000 0.289 464 N C -1.252 174.018 175.510 -0.400 0.000 1.179 464 N CA -0.495 52.346 53.050 -0.349 0.000 0.774 464 N CB 2.884 41.188 38.487 -0.305 0.000 1.548 464 N HN 0.465 nan 8.380 nan 0.000 0.473 465 I N 2.005 122.343 120.570 -0.387 0.000 2.339 465 I HA 0.344 4.514 4.170 0.000 0.000 0.290 465 I C -0.413 175.555 176.117 -0.248 0.000 0.994 465 I CA -0.618 60.445 61.300 -0.396 0.000 1.191 465 I CB 1.096 38.829 38.000 -0.446 0.000 1.343 465 I HN 0.210 nan 8.210 nan 0.000 0.458 466 I N 6.587 127.035 120.570 -0.204 0.000 2.355 466 I HA 0.258 4.428 4.170 0.000 0.000 0.288 466 I C 0.265 176.328 176.117 -0.091 0.000 0.999 466 I CA -0.819 60.404 61.300 -0.127 0.000 1.163 466 I CB 1.219 39.163 38.000 -0.093 0.000 1.316 466 I HN 0.567 nan 8.210 nan 0.000 0.454 467 K N 4.219 124.578 120.400 -0.069 0.000 2.451 467 K HA 0.292 4.612 4.320 0.000 0.000 0.280 467 K C 1.134 177.724 176.600 -0.016 0.000 1.020 467 K CA 1.156 57.420 56.287 -0.037 0.000 1.008 467 K CB 0.336 32.820 32.500 -0.027 0.000 0.917 467 K HN 0.925 nan 8.250 nan 0.000 0.478 468 G N 3.170 111.973 108.800 0.006 0.000 2.195 468 G HA2 -0.248 3.712 3.960 0.000 0.000 0.246 468 G HA3 -0.248 3.712 3.960 0.000 0.000 0.246 468 G C 0.393 175.313 174.900 0.034 0.000 0.984 468 G CA 0.264 45.377 45.100 0.021 0.000 0.633 468 G HN 0.599 nan 8.290 nan 0.000 0.525 469 L N -0.751 120.487 121.223 0.025 0.000 2.641 469 L HA 0.563 4.903 4.340 0.000 0.000 0.207 469 L C 1.459 178.353 176.870 0.041 0.000 1.049 469 L CA 1.566 56.434 54.840 0.047 0.000 0.866 469 L CB 0.603 42.687 42.059 0.042 0.000 1.264 469 L HN 1.404 nan 8.230 nan 0.000 0.483 470 G N 0.544 109.319 108.800 -0.042 0.000 2.384 470 G HA2 -0.124 3.836 3.960 0.000 0.000 0.204 470 G HA3 -0.124 3.836 3.960 0.000 0.000 0.204 470 G C -2.895 171.816 174.900 -0.315 0.000 1.237 470 G CA -0.414 44.592 45.100 -0.157 0.000 1.060 470 G HN 0.066 nan 8.290 nan 0.000 0.514 471 P HA 0.538 nan 4.420 nan 0.000 0.277 471 P C -0.118 177.004 177.300 -0.297 0.000 1.240 471 P CA 0.244 63.025 63.100 -0.532 0.000 0.798 471 P CB 1.592 32.846 31.700 -0.744 0.000 0.979 472 V N 0.215 119.972 119.914 -0.262 0.000 3.049 472 V HA 0.675 4.795 4.120 0.000 0.000 0.309 472 V C -1.103 174.885 176.094 -0.177 0.000 1.148 472 V CA -1.199 60.996 62.300 -0.174 0.000 0.990 472 V CB 1.908 33.658 31.823 -0.122 0.000 1.039 472 V HN 0.408 nan 8.190 nan 0.000 0.430 473 L N 2.417 123.568 121.223 -0.120 0.000 2.346 473 L HA 0.713 5.053 4.340 0.000 0.000 0.274 473 L C -0.324 176.472 176.870 -0.122 0.000 1.007 473 L CA 0.055 54.827 54.840 -0.113 0.000 0.818 473 L CB 1.950 43.995 42.059 -0.023 0.000 1.284 473 L HN 0.924 nan 8.230 nan 0.000 0.424 474 Q N 5.233 124.901 119.800 -0.220 0.000 2.353 474 Q HA 0.679 5.019 4.340 0.000 0.000 0.268 474 Q C -1.420 174.537 176.000 -0.071 0.000 1.045 474 Q CA -0.551 55.111 55.803 -0.235 0.000 0.811 474 Q CB 2.827 31.120 28.738 -0.741 0.000 1.305 474 Q HN 0.598 nan 8.270 nan 0.000 0.447 475 I N 0.896 121.554 120.570 0.146 0.000 2.647 475 I HA 0.750 4.920 4.170 0.000 0.000 0.295 475 I C -0.986 175.364 176.117 0.388 0.000 1.078 475 I CA -0.941 60.471 61.300 0.187 0.000 1.048 475 I CB 2.292 40.345 38.000 0.087 0.000 1.239 475 I HN 0.636 nan 8.210 nan 0.000 0.421 476 A N 4.564 127.579 122.820 0.325 0.000 2.599 476 A HA 0.498 4.818 4.320 0.000 0.000 0.281 476 A C -0.830 176.896 177.584 0.237 0.000 1.137 476 A CA -0.568 51.694 52.037 0.375 0.000 0.767 476 A CB 0.622 19.898 19.000 0.460 0.000 1.266 476 A HN 0.722 nan 8.150 nan 0.000 0.420 477 E N 0.827 121.039 120.200 0.019 0.000 2.343 477 E HA 0.599 4.949 4.350 0.000 0.000 0.269 477 E C 0.655 177.094 176.600 -0.268 0.000 1.047 477 E CA 0.376 56.670 56.400 -0.177 0.000 0.874 477 E CB 1.641 30.992 29.700 -0.583 0.000 1.033 477 E HN 0.872 nan 8.360 nan 0.000 0.409 478 G N 1.606 110.210 108.800 -0.326 0.000 2.510 478 G HA2 0.325 4.285 3.960 0.000 0.000 0.277 478 G HA3 0.325 4.285 3.960 0.000 0.000 0.277 478 G C -1.858 172.685 174.900 -0.596 0.000 1.223 478 G CA -0.748 43.927 45.100 -0.709 0.000 0.887 478 G HN 0.433 nan 8.290 nan 0.000 0.485 479 W N 0.376 121.662 121.300 -0.023 0.000 3.083 479 W HA 0.558 5.218 4.660 0.000 0.000 0.333 479 W C 0.032 176.691 176.519 0.235 0.000 1.217 479 W CA -0.510 56.949 57.345 0.191 0.000 1.170 479 W CB 1.850 31.375 29.460 0.109 0.000 1.437 479 W HN 0.801 nan 8.180 nan 0.000 0.557 480 S N 0.843 116.929 115.700 0.643 0.000 2.562 480 S HA 0.603 5.073 4.470 0.000 0.000 0.275 480 S C -0.469 174.369 174.600 0.398 0.000 1.281 480 S CA -0.654 57.875 58.200 0.549 0.000 1.045 480 S CB 1.441 64.989 63.200 0.580 0.000 0.962 480 S HN 0.460 nan 8.310 nan 0.000 0.503 481 V N -0.270 119.858 119.914 0.357 0.000 2.919 481 V HA 0.692 4.812 4.120 0.000 0.000 0.316 481 V C -0.467 175.750 176.094 0.205 0.000 1.077 481 V CA -0.983 61.456 62.300 0.231 0.000 0.977 481 V CB 1.536 33.458 31.823 0.164 0.000 1.039 481 V HN 1.048 nan 8.190 nan 0.000 0.441 482 E N 2.515 122.771 120.200 0.095 0.000 2.133 482 E HA 0.581 4.931 4.350 0.000 0.000 0.274 482 E C -1.267 175.301 176.600 -0.052 0.000 0.930 482 E CA -0.687 55.742 56.400 0.048 0.000 0.770 482 E CB 1.528 31.248 29.700 0.034 0.000 1.104 482 E HN 0.802 nan 8.360 nan 0.000 0.403 483 L N 5.911 127.052 121.223 -0.136 0.000 2.343 483 L HA 0.481 4.821 4.340 0.000 0.000 0.275 483 L C -1.871 174.906 176.870 -0.155 0.000 1.056 483 L CA -2.267 52.431 54.840 -0.237 0.000 0.804 483 L CB 1.161 42.924 42.059 -0.493 0.000 1.203 483 L HN 0.517 nan 8.230 nan 0.000 0.440 484 P HA 0.024 nan 4.420 nan 0.000 0.264 484 P C -0.209 177.025 177.300 -0.109 0.000 1.193 484 P CA -0.383 62.657 63.100 -0.100 0.000 0.763 484 P CB 0.619 32.278 31.700 -0.070 0.000 0.810 485 K N 3.248 123.615 120.400 -0.055 0.000 2.108 485 K HA -0.307 4.013 4.320 0.000 0.000 0.219 485 K C 1.373 177.955 176.600 -0.031 0.000 1.054 485 K CA 2.607 58.883 56.287 -0.018 0.000 0.945 485 K CB -1.644 30.852 32.500 -0.007 0.000 0.728 485 K HN 0.559 nan 8.250 nan 0.000 0.462 486 D N 0.858 121.203 120.400 -0.092 0.000 2.144 486 D HA -0.105 4.536 4.640 0.000 0.000 0.200 486 D C 1.922 178.085 176.300 -0.228 0.000 0.978 486 D CA 1.268 55.190 54.000 -0.131 0.000 0.833 486 D CB -0.437 40.293 40.800 -0.117 0.000 0.961 486 D HN 0.166 nan 8.370 nan 0.000 0.470 487 V N 1.177 120.879 119.914 -0.352 0.000 2.307 487 V HA -0.261 3.859 4.120 0.000 0.000 0.245 487 V C 2.628 178.499 176.094 -0.373 0.000 1.045 487 V CA 2.122 64.158 62.300 -0.440 0.000 1.024 487 V CB -1.026 30.479 31.823 -0.531 0.000 0.651 487 V HN 0.325 nan 8.190 nan 0.000 0.449 488 H N 0.518 119.383 119.070 -0.343 0.000 2.352 488 H HA -0.189 4.367 4.556 0.000 0.000 0.299 488 H C 2.046 177.315 175.328 -0.098 0.000 1.097 488 H CA 2.177 58.085 56.048 -0.233 0.000 1.311 488 H CB -0.215 29.498 29.762 -0.081 0.000 1.377 488 H HN 0.403 nan 8.280 nan 0.000 0.504 489 D N 0.252 120.538 120.400 -0.190 0.000 2.117 489 D HA -0.133 4.507 4.640 0.000 0.000 0.197 489 D C 2.253 178.445 176.300 -0.180 0.000 0.987 489 D CA 1.135 55.034 54.000 -0.169 0.000 0.829 489 D CB 0.016 40.782 40.800 -0.057 0.000 0.961 489 D HN 0.389 nan 8.370 nan 0.000 0.460 490 I N 1.189 121.643 120.570 -0.194 0.000 2.142 490 I HA -0.217 3.953 4.170 0.000 0.000 0.240 490 I C 2.635 178.654 176.117 -0.164 0.000 1.078 490 I CA 0.881 62.083 61.300 -0.164 0.000 1.343 490 I CB -1.261 36.622 38.000 -0.196 0.000 1.046 490 I HN 0.052 nan 8.210 nan 0.000 0.405 491 L N 0.306 121.364 121.223 -0.276 0.000 2.056 491 L HA -0.202 4.138 4.340 0.000 0.000 0.207 491 L C 2.375 179.232 176.870 -0.023 0.000 1.078 491 L CA 1.540 56.249 54.840 -0.219 0.000 0.749 491 L CB -0.888 40.859 42.059 -0.520 0.000 0.901 491 L HN 0.304 nan 8.230 nan 0.000 0.433 492 N N 1.264 119.877 118.700 -0.146 0.000 2.106 492 N HA -0.217 4.523 4.740 0.000 0.000 0.188 492 N C 1.805 177.292 175.510 -0.038 0.000 1.029 492 N CA 1.770 54.758 53.050 -0.103 0.000 0.848 492 N CB -0.046 38.238 38.487 -0.338 0.000 1.007 492 N HN 0.378 nan 8.380 nan 0.000 0.423 493 K N -0.152 120.213 120.400 -0.059 0.000 2.209 493 K HA -0.077 4.243 4.320 0.000 0.000 0.204 493 K C 2.143 178.741 176.600 -0.004 0.000 1.048 493 K CA 0.941 57.209 56.287 -0.032 0.000 0.940 493 K CB -0.196 32.286 32.500 -0.031 0.000 0.729 493 K HN 0.059 nan 8.250 nan 0.000 0.451 494 R N 0.562 121.079 120.500 0.029 0.000 2.235 494 R HA -0.016 4.324 4.340 0.000 0.000 0.213 494 R C 0.758 177.118 176.300 0.099 0.000 1.059 494 R CA 1.391 57.537 56.100 0.076 0.000 0.997 494 R CB 0.123 30.504 30.300 0.134 0.000 0.884 494 R HN 0.356 nan 8.270 nan 0.000 0.462 495 T N -1.065 113.552 114.554 0.104 0.000 3.610 495 T HA 0.160 4.510 4.350 0.000 0.000 0.209 495 T C -0.015 174.648 174.700 -0.062 0.000 0.889 495 T CA 0.087 62.248 62.100 0.101 0.000 1.469 495 T CB 0.199 69.235 68.868 0.280 0.000 1.557 495 T HN 0.096 nan 8.240 nan 0.000 0.431 496 N N 0.741 119.378 118.700 -0.106 0.000 2.751 496 N HA 0.210 4.950 4.740 0.000 0.000 0.238 496 N C 0.681 176.032 175.510 -0.264 0.000 1.351 496 N CA -0.057 52.766 53.050 -0.379 0.000 0.751 496 N CB 1.075 39.099 38.487 -0.770 0.000 1.342 496 N HN 0.254 nan 8.380 nan 0.000 0.540 497 S N -1.329 114.270 115.700 -0.167 0.000 2.465 497 S HA -0.196 4.274 4.470 0.000 0.000 0.241 497 S C 1.652 176.214 174.600 -0.063 0.000 1.000 497 S CA 1.563 59.716 58.200 -0.078 0.000 0.964 497 S CB -0.497 62.674 63.200 -0.049 0.000 0.763 497 S HN 0.564 nan 8.310 nan 0.000 0.512 498 T N -3.501 110.963 114.554 -0.150 0.000 3.107 498 T HA 0.238 4.588 4.350 0.000 0.000 0.249 498 T C -0.110 174.689 174.700 0.166 0.000 1.096 498 T CA -0.619 61.463 62.100 -0.029 0.000 1.012 498 T CB -0.296 68.558 68.868 -0.022 0.000 0.977 498 T HN 0.384 nan 8.240 nan 0.000 0.527 499 W N 2.692 123.930 121.300 -0.104 0.000 2.578 499 W HA 0.507 5.167 4.660 0.000 0.000 0.346 499 W C -2.649 173.708 176.519 -0.270 0.000 1.075 499 W CA -3.507 53.727 57.345 -0.184 0.000 1.233 499 W CB 0.360 29.720 29.460 -0.166 0.000 1.358 499 W HN -0.146 nan 8.180 nan 0.000 0.574 500 P HA 0.070 nan 4.420 nan 0.000 0.271 500 P C -0.226 176.858 177.300 -0.360 0.000 1.220 500 P CA 0.382 63.116 63.100 -0.610 0.000 0.768 500 P CB 1.093 32.108 31.700 -1.141 0.000 0.848 501 T N 2.501 116.903 114.554 -0.253 0.000 2.885 501 T HA 0.536 4.886 4.350 0.000 0.000 0.285 501 T C -0.417 174.184 174.700 -0.164 0.000 1.019 501 T CA -0.172 61.828 62.100 -0.166 0.000 1.010 501 T CB 1.109 69.954 68.868 -0.039 0.000 1.022 501 T HN 0.293 nan 8.240 nan 0.000 0.466 502 T N 2.273 116.683 114.554 -0.240 0.000 3.031 502 T HA 0.317 4.667 4.350 0.000 0.000 0.305 502 T C -1.252 173.363 174.700 -0.142 0.000 0.985 502 T CA -0.658 61.373 62.100 -0.114 0.000 1.008 502 T CB 0.529 69.336 68.868 -0.101 0.000 1.005 502 T HN 0.501 nan 8.240 nan 0.000 0.444 503 W N 3.276 124.714 121.300 0.229 0.000 2.331 503 W HA 0.653 5.313 4.660 0.000 0.000 0.306 503 W C -0.312 176.396 176.519 0.314 0.000 1.162 503 W CA -0.823 56.663 57.345 0.235 0.000 1.232 503 W CB 0.646 30.188 29.460 0.138 0.000 1.235 503 W HN 0.543 nan 8.180 nan 0.000 0.479 504 F N 3.235 123.392 119.950 0.344 0.000 2.495 504 F HA 0.749 5.276 4.527 0.000 0.000 0.327 504 F C -0.439 175.537 175.800 0.294 0.000 1.103 504 F CA -1.293 56.864 58.000 0.261 0.000 0.949 504 F CB 1.193 40.258 39.000 0.109 0.000 1.142 504 F HN 0.320 nan 8.300 nan 0.000 0.457 505 A N 7.954 130.577 122.820 -0.329 0.000 2.310 505 A HA 0.663 4.983 4.320 0.000 0.000 0.304 505 A C -2.956 174.350 177.584 -0.464 0.000 1.231 505 A CA -1.679 50.263 52.037 -0.159 0.000 0.799 505 A CB 0.648 19.721 19.000 0.122 0.000 1.162 505 A HN 0.455 nan 8.150 nan 0.000 0.486 506 P HA 0.199 nan 4.420 nan 0.000 0.282 506 P C -0.528 176.821 177.300 0.083 0.000 1.249 506 P CA -0.549 62.450 63.100 -0.170 0.000 0.806 506 P CB 0.949 32.743 31.700 0.157 0.000 0.984 507 R N 3.826 124.337 120.500 0.019 0.000 2.370 507 R HA 0.226 4.566 4.340 0.000 0.000 0.309 507 R C -0.311 176.065 176.300 0.126 0.000 1.059 507 R CA -0.281 55.907 56.100 0.146 0.000 0.981 507 R CB -0.237 30.038 30.300 -0.041 0.000 0.972 507 R HN 0.513 nan 8.270 nan 0.000 0.437 508 L N 3.797 125.107 121.223 0.145 0.000 2.399 508 L HA 0.228 4.568 4.340 0.000 0.000 0.266 508 L C 1.555 178.468 176.870 0.071 0.000 1.114 508 L CA -0.265 54.654 54.840 0.131 0.000 0.804 508 L CB 1.698 43.773 42.059 0.027 0.000 1.146 508 L HN 0.830 nan 8.230 nan 0.000 0.451 509 T N -3.532 111.079 114.554 0.095 0.000 2.975 509 T HA 0.234 4.584 4.350 0.000 0.000 0.257 509 T C 1.166 175.897 174.700 0.052 0.000 1.003 509 T CA 0.384 62.508 62.100 0.040 0.000 0.932 509 T CB 0.757 69.623 68.868 -0.003 0.000 1.087 509 T HN 0.931 nan 8.240 nan 0.000 0.512 510 G N 1.452 110.293 108.800 0.068 0.000 2.199 510 G HA2 -0.225 3.735 3.960 0.000 0.000 0.254 510 G HA3 -0.225 3.735 3.960 0.000 0.000 0.254 510 G C -0.095 174.839 174.900 0.058 0.000 0.982 510 G CA 0.323 45.452 45.100 0.048 0.000 0.632 510 G HN 0.723 nan 8.290 nan 0.000 0.529 511 K N -0.296 120.153 120.400 0.081 0.000 2.385 511 K HA 0.621 4.941 4.320 0.000 0.000 0.248 511 K C 1.083 177.745 176.600 0.102 0.000 0.955 511 K CA -0.205 56.126 56.287 0.073 0.000 0.816 511 K CB 1.927 34.460 32.500 0.055 0.000 1.250 511 K HN 1.212 nan 8.250 nan 0.000 0.434 512 G N 2.255 111.093 108.800 0.064 0.000 2.582 512 G HA2 -0.277 3.683 3.960 0.000 0.000 0.288 512 G HA3 -0.277 3.683 3.960 0.000 0.000 0.288 512 G C -1.753 173.154 174.900 0.012 0.000 1.247 512 G CA -0.072 45.057 45.100 0.048 0.000 0.972 512 G HN 0.541 nan 8.290 nan 0.000 0.557 513 P HA 0.139 nan 4.420 nan 0.000 0.228 513 P C 0.926 177.959 177.300 -0.446 0.000 1.151 513 P CA 1.009 63.948 63.100 -0.268 0.000 0.770 513 P CB -0.097 31.371 31.700 -0.385 0.000 0.786 514 F N -1.870 118.078 119.950 -0.004 0.000 2.819 514 F HA 0.187 4.714 4.527 0.000 0.000 0.294 514 F C 1.725 177.520 175.800 -0.009 0.000 1.166 514 F CA 0.164 58.162 58.000 -0.003 0.000 1.374 514 F CB -0.678 38.316 39.000 -0.010 0.000 0.956 514 F HN -0.208 nan 8.300 nan 0.000 0.509 515 T N -0.337 114.261 114.554 0.074 0.000 2.812 515 T HA -0.065 4.285 4.350 0.000 0.000 0.264 515 T C 0.206 174.927 174.700 0.036 0.000 1.042 515 T CA 1.536 63.667 62.100 0.052 0.000 1.140 515 T CB -0.260 68.629 68.868 0.035 0.000 0.870 515 T HN 0.423 nan 8.240 nan 0.000 0.445 516 D N -1.650 118.768 120.400 0.030 0.000 2.615 516 D HA 0.351 4.991 4.640 0.000 0.000 0.267 516 D C 0.651 176.968 176.300 0.028 0.000 1.236 516 D CA -0.774 53.253 54.000 0.046 0.000 0.839 516 D CB 0.816 41.665 40.800 0.082 0.000 1.380 516 D HN -0.185 nan 8.370 nan 0.000 0.433 517 V N -0.234 119.732 119.914 0.087 0.000 2.490 517 V HA -0.235 3.885 4.120 0.000 0.000 0.250 517 V C 1.887 177.835 176.094 -0.244 0.000 1.061 517 V CA 1.707 64.043 62.300 0.060 0.000 1.064 517 V CB -1.072 30.934 31.823 0.305 0.000 0.670 517 V HN 0.651 nan 8.190 nan 0.000 0.461 518 Y N 1.445 121.405 120.300 -0.568 0.000 2.181 518 Y HA -0.236 4.314 4.550 0.000 0.000 0.288 518 Y C 2.674 178.314 175.900 -0.434 0.000 1.146 518 Y CA 1.919 59.465 58.100 -0.922 0.000 1.164 518 Y CB -0.253 37.824 38.460 -0.640 0.000 0.982 518 Y HN 0.206 nan 8.280 nan 0.000 0.515 519 S N -0.525 115.033 115.700 -0.238 0.000 2.399 519 S HA -0.161 4.309 4.470 0.000 0.000 0.231 519 S C 2.043 176.438 174.600 -0.340 0.000 1.022 519 S CA 1.228 59.275 58.200 -0.254 0.000 0.983 519 S CB -0.531 62.608 63.200 -0.101 0.000 0.803 519 S HN 0.352 nan 8.310 nan 0.000 0.480 520 V N 1.711 121.420 119.914 -0.341 0.000 2.307 520 V HA -0.190 3.930 4.120 0.000 0.000 0.245 520 V C 2.280 178.254 176.094 -0.200 0.000 1.045 520 V CA 2.067 64.165 62.300 -0.336 0.000 1.024 520 V CB -0.584 31.099 31.823 -0.233 0.000 0.651 520 V HN 0.476 nan 8.190 nan 0.000 0.449 521 M N 1.031 120.475 119.600 -0.261 0.000 2.067 521 M HA -0.109 4.371 4.480 0.000 0.000 0.260 521 M C 2.102 178.268 176.300 -0.224 0.000 1.069 521 M CA 2.432 57.601 55.300 -0.220 0.000 1.117 521 M CB -0.606 31.834 32.600 -0.266 0.000 1.334 521 M HN 0.223 nan 8.290 nan 0.000 0.407 522 A N 0.057 122.601 122.820 -0.460 0.000 2.024 522 A HA -0.165 4.155 4.320 0.000 0.000 0.220 522 A C 1.801 179.269 177.584 -0.193 0.000 1.164 522 A CA 2.002 53.796 52.037 -0.405 0.000 0.643 522 A CB -1.000 17.607 19.000 -0.654 0.000 0.806 522 A HN 0.765 nan 8.150 nan 0.000 0.451 523 N N -1.846 116.764 118.700 -0.149 0.000 2.280 523 N HA 0.004 4.745 4.740 0.000 0.000 0.192 523 N C -0.159 175.347 175.510 -0.007 0.000 1.109 523 N CA -0.261 52.736 53.050 -0.088 0.000 0.855 523 N CB 0.109 38.522 38.487 -0.123 0.000 0.974 523 N HN 0.683 nan 8.380 nan 0.000 0.482 524 W N 1.007 122.204 121.300 -0.173 0.000 2.181 524 W HA 0.100 4.760 4.660 0.000 0.000 0.335 524 W C 1.037 177.482 176.519 -0.123 0.000 1.310 524 W CA -0.109 57.154 57.345 -0.136 0.000 1.226 524 W CB 0.929 30.312 29.460 -0.128 0.000 1.155 524 W HN 0.038 nan 8.180 nan 0.000 0.565 525 G N 2.776 111.275 108.800 -0.503 0.000 3.141 525 G HA2 0.387 4.347 3.960 0.000 0.000 0.218 525 G HA3 0.387 4.347 3.960 0.000 0.000 0.218 525 G C -0.123 174.622 174.900 -0.260 0.000 1.170 525 G CA 0.541 45.434 45.100 -0.344 0.000 0.769 525 G HN 0.547 nan 8.290 nan 0.000 0.546 526 A N 0.187 122.903 122.820 -0.173 0.000 2.557 526 A HA 0.537 4.857 4.320 0.000 0.000 0.292 526 A C 0.389 178.003 177.584 0.049 0.000 1.139 526 A CA -0.242 51.739 52.037 -0.094 0.000 0.665 526 A CB 0.313 19.226 19.000 -0.145 0.000 1.285 526 A HN 0.072 nan 8.150 nan 0.000 0.433 527 N N -0.015 118.640 118.700 -0.074 0.000 2.336 527 N HA 0.080 4.820 4.740 0.000 0.000 0.189 527 N C 0.014 175.556 175.510 0.053 0.000 1.113 527 N CA 0.414 53.439 53.050 -0.042 0.000 0.858 527 N CB -0.087 38.319 38.487 -0.135 0.000 0.970 527 N HN 0.739 nan 8.380 nan 0.000 0.471 528 H N -1.418 117.676 119.070 0.041 0.000 2.731 528 H HA 0.720 5.276 4.556 0.000 0.000 0.368 528 H C -0.242 175.100 175.328 0.023 0.000 1.168 528 H CA -1.113 54.885 56.048 -0.083 0.000 1.181 528 H CB 2.280 31.890 29.762 -0.254 0.000 1.743 528 H HN 0.190 nan 8.280 nan 0.000 0.547 529 G N 0.144 108.933 108.800 -0.019 0.000 2.684 529 G HA2 0.489 4.449 3.960 0.000 0.000 0.290 529 G HA3 0.489 4.449 3.960 0.000 0.000 0.290 529 G C -1.739 173.033 174.900 -0.212 0.000 1.425 529 G CA -0.488 44.625 45.100 0.022 0.000 0.822 529 G HN 0.453 nan 8.290 nan 0.000 0.482 530 V N 0.317 120.151 119.914 -0.132 0.000 2.604 530 V HA 0.577 4.697 4.120 0.000 0.000 0.305 530 V C -0.928 175.082 176.094 -0.141 0.000 1.043 530 V CA -0.800 61.416 62.300 -0.140 0.000 0.888 530 V CB 1.710 33.502 31.823 -0.052 0.000 0.995 530 V HN 0.574 nan 8.190 nan 0.000 0.429 531 L N 3.786 124.926 121.223 -0.140 0.000 2.287 531 L HA 0.672 5.012 4.340 0.000 0.000 0.287 531 L C 0.201 177.128 176.870 0.094 0.000 1.022 531 L CA 0.444 55.196 54.840 -0.146 0.000 0.814 531 L CB 1.749 43.556 42.059 -0.420 0.000 1.217 531 L HN 0.760 nan 8.230 nan 0.000 0.420 532 T N 4.549 119.247 114.554 0.241 0.000 2.829 532 T HA 0.451 4.801 4.350 0.000 0.000 0.280 532 T C -0.070 174.880 174.700 0.417 0.000 0.999 532 T CA -0.474 61.819 62.100 0.321 0.000 0.983 532 T CB 1.507 70.585 68.868 0.351 0.000 0.968 532 T HN 0.370 nan 8.240 nan 0.000 0.446 533 I N 3.248 123.998 120.570 0.300 0.000 2.815 533 I HA 0.413 4.583 4.170 0.000 0.000 0.291 533 I C 0.903 177.004 176.117 -0.027 0.000 1.209 533 I CA 1.585 62.890 61.300 0.008 0.000 1.431 533 I CB -0.539 37.427 38.000 -0.058 0.000 1.351 533 I HN 1.017 nan 8.210 nan 0.000 0.585 534 G N 5.336 114.025 108.800 -0.185 0.000 2.796 534 G HA2 -0.237 3.723 3.960 0.000 0.000 0.571 534 G HA3 -0.237 3.723 3.960 0.000 0.000 0.571 534 G C -0.503 174.426 174.900 0.048 0.000 1.370 534 G CA -0.270 44.756 45.100 -0.123 0.000 0.856 534 G HN 0.933 nan 8.290 nan 0.000 0.538 535 H N 0.339 119.393 119.070 -0.027 0.000 2.741 535 H HA 0.362 4.918 4.556 0.000 0.000 0.261 535 H C 1.194 176.544 175.328 0.036 0.000 1.365 535 H CA -0.087 55.951 56.048 -0.017 0.000 1.266 535 H CB 0.662 30.388 29.762 -0.059 0.000 1.485 535 H HN 0.720 nan 8.280 nan 0.000 0.529 536 V N 0.711 120.754 119.914 0.217 0.000 3.177 536 V HA 0.294 4.414 4.120 0.000 0.000 0.342 536 V C 1.646 177.914 176.094 0.290 0.000 1.379 536 V CA 0.317 62.747 62.300 0.217 0.000 1.191 536 V CB 0.351 32.315 31.823 0.235 0.000 1.167 536 V HN 0.743 nan 8.190 nan 0.000 0.471 537 G N 1.248 110.165 108.800 0.195 0.000 2.440 537 G HA2 -0.187 3.773 3.960 0.000 0.000 0.218 537 G HA3 -0.187 3.773 3.960 0.000 0.000 0.218 537 G C 1.600 176.589 174.900 0.147 0.000 1.154 537 G CA 1.209 46.408 45.100 0.164 0.000 0.767 537 G HN 0.844 nan 8.290 nan 0.000 0.552 538 A N 1.033 123.910 122.820 0.095 0.000 1.940 538 A HA -0.090 4.230 4.320 0.000 0.000 0.219 538 A C 2.095 179.724 177.584 0.075 0.000 1.176 538 A CA 2.099 54.176 52.037 0.067 0.000 0.631 538 A CB -0.376 18.657 19.000 0.055 0.000 0.814 538 A HN 0.316 nan 8.150 nan 0.000 0.446 539 D N -1.028 119.414 120.400 0.071 0.000 2.117 539 D HA -0.100 4.540 4.640 0.000 0.000 0.198 539 D C 1.628 177.903 176.300 -0.042 0.000 0.982 539 D CA 1.057 55.049 54.000 -0.013 0.000 0.828 539 D CB -0.388 40.367 40.800 -0.074 0.000 0.967 539 D HN 0.478 nan 8.370 nan 0.000 0.464 540 F N 1.173 121.122 119.950 -0.000 0.000 2.134 540 F HA -0.073 4.454 4.527 0.000 0.000 0.299 540 F C 2.478 178.266 175.800 -0.019 0.000 1.097 540 F CA 0.654 58.654 58.000 -0.000 0.000 1.264 540 F CB -0.271 38.741 39.000 0.019 0.000 1.001 540 F HN -0.088 nan 8.300 nan 0.000 0.479 541 I N -0.925 119.729 120.570 0.141 0.000 2.286 541 I HA -0.287 3.883 4.170 0.000 0.000 0.248 541 I C 2.205 178.321 176.117 -0.002 0.000 1.115 541 I CA 1.488 62.804 61.300 0.027 0.000 1.392 541 I CB -0.700 37.266 38.000 -0.056 0.000 1.065 541 I HN 0.112 nan 8.210 nan 0.000 0.418 542 T N 1.174 115.736 114.554 0.014 0.000 2.777 542 T HA -0.144 4.206 4.350 0.000 0.000 0.266 542 T C 1.849 176.535 174.700 -0.023 0.000 1.040 542 T CA 1.079 63.186 62.100 0.012 0.000 1.141 542 T CB -0.288 68.599 68.868 0.032 0.000 0.868 542 T HN 0.170 nan 8.240 nan 0.000 0.444 543 L N 1.658 122.847 121.223 -0.056 0.000 2.046 543 L HA 0.085 4.425 4.340 0.000 0.000 0.208 543 L C 2.547 179.415 176.870 -0.003 0.000 1.077 543 L CA 1.876 56.674 54.840 -0.070 0.000 0.747 543 L CB -1.095 40.887 42.059 -0.128 0.000 0.896 543 L HN 0.213 nan 8.230 nan 0.000 0.432 544 A N -0.834 122.006 122.820 0.033 0.000 1.933 544 A HA -0.199 4.121 4.320 0.000 0.000 0.218 544 A C 2.488 180.104 177.584 0.054 0.000 1.175 544 A CA 1.969 54.046 52.037 0.068 0.000 0.628 544 A CB -1.117 17.930 19.000 0.079 0.000 0.814 544 A HN 0.678 nan 8.150 nan 0.000 0.444 545 S N -0.341 115.333 115.700 -0.043 0.000 2.399 545 S HA -0.156 4.314 4.470 0.000 0.000 0.231 545 S C 1.964 176.489 174.600 -0.125 0.000 1.022 545 S CA 1.652 59.733 58.200 -0.199 0.000 0.983 545 S CB -0.616 62.186 63.200 -0.664 0.000 0.803 545 S HN 0.512 nan 8.310 nan 0.000 0.480 546 M N 0.611 120.197 119.600 -0.024 0.000 2.296 546 M HA 0.162 4.642 4.480 0.000 0.000 0.265 546 M C 1.545 177.871 176.300 0.043 0.000 1.064 546 M CA 1.154 56.470 55.300 0.027 0.000 1.109 546 M CB -0.396 32.216 32.600 0.020 0.000 1.396 546 M HN 0.309 nan 8.290 nan 0.000 0.430 547 L N -0.878 120.397 121.223 0.086 0.000 2.607 547 L HA 0.150 4.490 4.340 0.000 0.000 0.228 547 L C 0.091 177.109 176.870 0.246 0.000 1.123 547 L CA -0.222 54.707 54.840 0.148 0.000 0.890 547 L CB 0.024 42.191 42.059 0.181 0.000 1.103 547 L HN 0.202 nan 8.230 nan 0.000 0.468 548 R N 0.314 120.964 120.500 0.250 0.000 3.422 548 R HA -0.143 4.197 4.340 0.000 0.000 0.267 548 R C -0.749 175.746 176.300 0.324 0.000 1.074 548 R CA 0.661 56.958 56.100 0.328 0.000 0.718 548 R CB -2.479 27.990 30.300 0.281 0.000 1.157 548 R HN 0.268 nan 8.270 nan 0.000 0.440 549 I N 0.951 121.664 120.570 0.238 0.000 2.330 549 I HA 0.313 4.483 4.170 0.000 0.000 0.289 549 I C -1.936 174.200 176.117 0.031 0.000 1.001 549 I CA -2.512 58.867 61.300 0.131 0.000 1.193 549 I CB 1.669 39.730 38.000 0.102 0.000 1.345 549 I HN -0.155 nan 8.210 nan 0.000 0.461 550 P HA 0.042 nan 4.420 nan 0.000 0.268 550 P C -0.596 176.597 177.300 -0.179 0.000 1.205 550 P CA -0.180 62.745 63.100 -0.291 0.000 0.771 550 P CB 0.636 31.851 31.700 -0.808 0.000 0.858 551 V N 3.606 123.467 119.914 -0.088 0.000 2.320 551 V HA 0.021 4.141 4.120 0.000 0.000 0.265 551 V C 1.546 177.721 176.094 0.134 0.000 1.048 551 V CA -0.126 62.196 62.300 0.036 0.000 0.865 551 V CB -0.026 31.842 31.823 0.075 0.000 1.043 551 V HN 0.858 nan 8.190 nan 0.000 0.474 552 C N 2.398 121.769 119.300 0.118 0.000 2.481 552 C HA 0.416 4.876 4.460 0.000 0.000 0.275 552 C C 0.592 175.686 174.990 0.173 0.000 1.419 552 C CA -0.184 58.968 59.018 0.223 0.000 1.773 552 C CB -0.864 26.966 27.740 0.151 0.000 1.862 552 C HN 0.770 nan 8.230 nan 0.000 0.530 553 M N 1.447 121.149 119.600 0.170 0.000 2.325 553 M HA 0.493 4.973 4.480 0.000 0.000 0.285 553 M C -1.644 174.854 176.300 0.330 0.000 1.119 553 M CA -0.171 55.252 55.300 0.206 0.000 0.959 553 M CB 1.609 34.280 32.600 0.118 0.000 1.737 553 M HN 0.720 nan 8.290 nan 0.000 0.486 554 H N 1.693 120.944 119.070 0.301 0.000 2.987 554 H HA 0.517 5.073 4.556 0.000 0.000 0.316 554 H C -1.687 173.516 175.328 -0.209 0.000 1.380 554 H CA -0.755 55.371 56.048 0.129 0.000 1.160 554 H CB 0.555 30.348 29.762 0.051 0.000 1.865 554 H HN 0.616 nan 8.280 nan 0.000 0.521 555 N N 1.058 119.468 118.700 -0.482 0.000 2.416 555 N HA 0.179 4.919 4.740 0.000 0.000 0.267 555 N C -1.107 174.255 175.510 -0.247 0.000 1.294 555 N CA -0.295 52.287 53.050 -0.781 0.000 0.891 555 N CB 0.421 38.043 38.487 -1.443 0.000 1.238 555 N HN 0.325 nan 8.380 nan 0.000 0.508 556 V N 0.753 120.751 119.914 0.139 0.000 2.607 556 V HA 0.131 4.251 4.120 0.000 0.000 0.289 556 V C 0.776 176.933 176.094 0.105 0.000 1.053 556 V CA -0.661 61.693 62.300 0.091 0.000 0.996 556 V CB 1.247 33.111 31.823 0.069 0.000 0.995 556 V HN 0.261 nan 8.190 nan 0.000 0.476 557 E N 2.482 122.707 120.200 0.042 0.000 2.415 557 E HA -0.045 4.305 4.350 0.000 0.000 0.263 557 E C 1.003 177.652 176.600 0.081 0.000 0.995 557 E CA 0.169 56.600 56.400 0.052 0.000 0.915 557 E CB 0.634 30.357 29.700 0.037 0.000 0.951 557 E HN 0.751 nan 8.360 nan 0.000 0.449 558 E N 2.117 122.374 120.200 0.095 0.000 2.171 558 E HA -0.245 4.105 4.350 0.000 0.000 0.197 558 E C 1.576 178.230 176.600 0.090 0.000 0.997 558 E CA 1.851 58.315 56.400 0.107 0.000 0.810 558 E CB 0.128 29.888 29.700 0.100 0.000 0.738 558 E HN 0.667 nan 8.360 nan 0.000 0.467 559 T N -1.777 112.821 114.554 0.075 0.000 3.035 559 T HA -0.028 4.322 4.350 0.000 0.000 0.268 559 T C 1.536 176.277 174.700 0.068 0.000 1.109 559 T CA 0.757 62.900 62.100 0.072 0.000 1.119 559 T CB -0.036 68.868 68.868 0.059 0.000 0.900 559 T HN 0.084 nan 8.240 nan 0.000 0.503 560 K N 1.231 121.667 120.400 0.061 0.000 2.393 560 K HA 0.253 4.573 4.320 0.000 0.000 0.193 560 K C 0.732 177.377 176.600 0.076 0.000 1.026 560 K CA -0.071 56.248 56.287 0.053 0.000 1.064 560 K CB 0.542 33.065 32.500 0.038 0.000 0.833 560 K HN 0.437 nan 8.250 nan 0.000 0.521 561 V N 0.601 120.563 119.914 0.081 0.000 2.470 561 V HA 0.137 4.257 4.120 0.000 0.000 0.276 561 V C -1.143 175.054 176.094 0.170 0.000 1.040 561 V CA -0.376 61.972 62.300 0.079 0.000 1.008 561 V CB 0.133 31.970 31.823 0.023 0.000 0.990 561 V HN 0.121 nan 8.190 nan 0.000 0.477 562 Y N 7.631 127.940 120.300 0.015 0.000 2.338 562 Y HA 0.740 5.290 4.550 0.000 0.000 0.328 562 Y C -0.016 175.932 175.900 0.081 0.000 0.965 562 Y CA -1.226 56.913 58.100 0.066 0.000 1.208 562 Y CB 1.159 39.679 38.460 0.100 0.000 1.132 562 Y HN 0.848 nan 8.280 nan 0.000 0.469 563 R N 4.674 124.972 120.500 -0.338 0.000 2.869 563 R HA 0.528 4.868 4.340 0.000 0.000 0.263 563 R C -2.938 172.603 176.300 -1.264 0.000 1.066 563 R CA -2.361 53.279 56.100 -0.767 0.000 0.960 563 R CB 1.077 30.838 30.300 -0.899 0.000 1.221 563 R HN 0.398 nan 8.270 nan 0.000 0.474 564 P HA -0.074 nan 4.420 nan 0.000 0.267 564 P C 0.695 177.697 177.300 -0.497 0.000 1.200 564 P CA 0.281 62.592 63.100 -1.315 0.000 0.772 564 P CB 0.625 31.762 31.700 -0.937 0.000 0.855 565 S N 2.191 117.712 115.700 -0.298 0.000 2.419 565 S HA -0.222 4.248 4.470 0.000 0.000 0.235 565 S C 1.830 176.483 174.600 0.088 0.000 1.019 565 S CA 1.177 59.337 58.200 -0.066 0.000 0.982 565 S CB -1.266 61.909 63.200 -0.042 0.000 0.789 565 S HN 0.467 nan 8.310 nan 0.000 0.490 566 A N 0.820 123.732 122.820 0.155 0.000 2.070 566 A HA 0.017 4.337 4.320 0.000 0.000 0.220 566 A C 1.930 179.806 177.584 0.487 0.000 1.159 566 A CA 0.824 53.048 52.037 0.311 0.000 0.656 566 A CB -1.202 18.000 19.000 0.338 0.000 0.800 566 A HN 0.808 nan 8.150 nan 0.000 0.453 567 W N -0.273 121.069 121.300 0.071 0.000 2.363 567 W HA -0.181 4.479 4.660 0.000 0.000 0.296 567 W C 2.602 179.212 176.519 0.152 0.000 1.212 567 W CA 1.060 58.457 57.345 0.086 0.000 1.260 567 W CB -0.138 29.303 29.460 -0.031 0.000 1.131 567 W HN 0.492 nan 8.180 nan 0.000 0.530 568 A N 0.368 123.381 122.820 0.321 0.000 1.972 568 A HA -0.075 4.245 4.320 0.000 0.000 0.219 568 A C 2.015 179.689 177.584 0.149 0.000 1.169 568 A CA 2.002 54.159 52.037 0.201 0.000 0.635 568 A CB -0.938 18.146 19.000 0.141 0.000 0.810 568 A HN 0.178 nan 8.150 nan 0.000 0.446 569 A N -1.143 121.762 122.820 0.142 0.000 2.121 569 A HA -0.083 4.237 4.320 0.000 0.000 0.218 569 A C 1.605 179.134 177.584 -0.091 0.000 1.154 569 A CA 1.488 53.530 52.037 0.009 0.000 0.679 569 A CB -0.723 18.252 19.000 -0.043 0.000 0.795 569 A HN 0.663 nan 8.150 nan 0.000 0.458 570 H N -0.921 118.143 119.070 -0.010 0.000 2.533 570 H HA 0.429 4.985 4.556 0.000 0.000 0.271 570 H C 0.931 176.252 175.328 -0.012 0.000 1.000 570 H CA 0.568 56.583 56.048 -0.055 0.000 1.149 570 H CB 0.174 29.844 29.762 -0.154 0.000 1.375 570 H HN 0.653 nan 8.280 nan 0.000 0.582 571 G N -0.798 108.066 108.800 0.107 0.000 2.335 571 G HA2 -0.128 3.832 3.960 0.000 0.000 0.592 571 G HA3 -0.128 3.832 3.960 0.000 0.000 0.592 571 G C 0.344 175.307 174.900 0.105 0.000 1.442 571 G CA -0.508 44.645 45.100 0.089 0.000 0.976 571 G HN 0.126 nan 8.290 nan 0.000 0.652 572 M N -0.243 119.408 119.600 0.085 0.000 2.349 572 M HA 0.095 4.575 4.480 0.000 0.000 0.266 572 M C 1.008 177.369 176.300 0.101 0.000 1.076 572 M CA 0.650 56.003 55.300 0.089 0.000 1.126 572 M CB -0.083 32.558 32.600 0.069 0.000 1.392 572 M HN 0.548 nan 8.290 nan 0.000 0.440 573 D N 1.267 121.726 120.400 0.099 0.000 2.401 573 D HA 0.029 4.669 4.640 0.000 0.000 0.254 573 D C 1.099 177.485 176.300 0.144 0.000 1.192 573 D CA -0.054 54.011 54.000 0.108 0.000 0.885 573 D CB 0.814 41.669 40.800 0.091 0.000 1.147 573 D HN -0.003 nan 8.370 nan 0.000 0.478 574 I N 3.188 123.852 120.570 0.157 0.000 2.335 574 I HA -0.184 3.986 4.170 0.000 0.000 0.251 574 I C 1.938 178.195 176.117 0.233 0.000 1.129 574 I CA 1.352 62.769 61.300 0.195 0.000 1.402 574 I CB -0.810 37.310 38.000 0.201 0.000 1.069 574 I HN 0.699 nan 8.210 nan 0.000 0.424 575 E N 0.680 121.014 120.200 0.223 0.000 2.075 575 E HA -0.067 4.283 4.350 0.000 0.000 0.190 575 E C 2.354 179.129 176.600 0.291 0.000 0.969 575 E CA 0.848 57.416 56.400 0.280 0.000 0.815 575 E CB -0.193 29.651 29.700 0.240 0.000 0.776 575 E HN 0.355 nan 8.360 nan 0.000 0.457 576 G N 1.510 110.422 108.800 0.186 0.000 2.440 576 G HA2 -0.370 3.590 3.960 0.000 0.000 0.218 576 G HA3 -0.370 3.590 3.960 0.000 0.000 0.218 576 G C 1.572 176.557 174.900 0.141 0.000 1.154 576 G CA 1.201 46.389 45.100 0.147 0.000 0.767 576 G HN 0.497 nan 8.290 nan 0.000 0.552 577 Q N -0.057 119.828 119.800 0.142 0.000 2.124 577 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 577 Q C 1.921 177.891 176.000 -0.051 0.000 0.977 577 Q CA 1.747 57.610 55.803 0.100 0.000 0.850 577 Q CB -0.350 28.500 28.738 0.186 0.000 0.901 577 Q HN 0.368 nan 8.270 nan 0.000 0.429 578 D N -0.055 120.417 120.400 0.120 0.000 2.084 578 D HA -0.154 4.486 4.640 0.000 0.000 0.196 578 D C 1.499 177.752 176.300 -0.080 0.000 0.985 578 D CA 1.141 55.208 54.000 0.112 0.000 0.826 578 D CB -0.230 40.712 40.800 0.237 0.000 0.978 578 D HN 0.365 nan 8.370 nan 0.000 0.456 579 Y N 0.662 120.953 120.300 -0.015 0.000 2.224 579 Y HA -0.040 4.510 4.550 0.000 0.000 0.289 579 Y C 2.629 178.457 175.900 -0.120 0.000 1.146 579 Y CA 1.276 59.354 58.100 -0.037 0.000 1.182 579 Y CB -0.101 38.355 38.460 -0.007 0.000 0.983 579 Y HN -0.077 nan 8.280 nan 0.000 0.524 580 R N -0.451 120.044 120.500 -0.009 0.000 2.066 580 R HA -0.131 4.209 4.340 0.000 0.000 0.232 580 R C 2.534 178.595 176.300 -0.398 0.000 1.131 580 R CA 1.175 57.217 56.100 -0.097 0.000 0.955 580 R CB -0.633 29.681 30.300 0.023 0.000 0.851 580 R HN 0.306 nan 8.270 nan 0.000 0.432 581 A N 0.663 122.972 122.820 -0.851 0.000 1.873 581 A HA -0.172 4.148 4.320 0.000 0.000 0.215 581 A C 2.384 179.461 177.584 -0.846 0.000 1.186 581 A CA 1.423 52.573 52.037 -1.478 0.000 0.616 581 A CB -0.893 16.680 19.000 -2.380 0.000 0.823 581 A HN 0.460 nan 8.150 nan 0.000 0.442 582 C N -0.862 118.148 119.300 -0.485 0.000 2.425 582 C HA -0.116 4.344 4.460 0.000 0.000 0.277 582 C C 2.833 177.760 174.990 -0.105 0.000 1.280 582 C CA 1.305 60.240 59.018 -0.138 0.000 1.744 582 C CB -1.292 26.434 27.740 -0.023 0.000 1.989 582 C HN 0.770 nan 8.230 nan 0.000 0.491 583 Q N 0.940 120.655 119.800 -0.143 0.000 2.172 583 Q HA -0.162 4.178 4.340 0.000 0.000 0.200 583 Q C 2.097 178.008 176.000 -0.149 0.000 0.964 583 Q CA 1.332 57.087 55.803 -0.080 0.000 0.855 583 Q CB -0.206 28.507 28.738 -0.042 0.000 0.918 583 Q HN 0.696 nan 8.270 nan 0.000 0.444 584 N N -0.211 118.303 118.700 -0.309 0.000 2.051 584 N HA -0.174 4.566 4.740 0.000 0.000 0.192 584 N C 1.385 176.657 175.510 -0.396 0.000 1.049 584 N CA 1.768 54.567 53.050 -0.419 0.000 0.845 584 N CB -0.487 37.592 38.487 -0.680 0.000 1.031 584 N HN 0.258 nan 8.380 nan 0.000 0.425 585 Y N 0.351 120.568 120.300 -0.139 0.000 2.263 585 Y HA 0.203 4.753 4.550 0.000 0.000 0.292 585 Y C 1.879 177.727 175.900 -0.087 0.000 1.130 585 Y CA 0.731 58.774 58.100 -0.095 0.000 1.179 585 Y CB -0.913 37.495 38.460 -0.085 0.000 0.998 585 Y HN 0.300 nan 8.280 nan 0.000 0.532 586 G N 0.366 109.188 108.800 0.037 0.000 2.750 586 G HA2 -0.214 3.746 3.960 0.000 0.000 0.228 586 G HA3 -0.214 3.746 3.960 0.000 0.000 0.228 586 G C -2.653 172.161 174.900 -0.142 0.000 1.367 586 G CA -0.753 44.326 45.100 -0.035 0.000 0.871 586 G HN 0.122 nan 8.290 nan 0.000 0.560 587 P HA 0.212 nan 4.420 nan 0.000 0.269 587 P C 1.092 178.114 177.300 -0.462 0.000 1.209 587 P CA -0.386 62.210 63.100 -0.840 0.000 0.776 587 P CB 0.946 31.607 31.700 -1.731 0.000 0.876 588 L N 3.158 124.122 121.223 -0.432 0.000 2.046 588 L HA -0.173 4.167 4.340 0.000 0.000 0.208 588 L C 2.138 178.625 176.870 -0.639 0.000 1.077 588 L CA 2.146 56.667 54.840 -0.532 0.000 0.747 588 L CB -1.405 40.229 42.059 -0.709 0.000 0.896 588 L HN 0.348 nan 8.230 nan 0.000 0.432 589 Y N -0.449 119.764 120.300 -0.145 0.000 2.476 589 Y HA 0.159 4.709 4.550 0.000 0.000 0.283 589 Y C 0.776 176.615 175.900 -0.100 0.000 1.109 589 Y CA 0.086 58.129 58.100 -0.096 0.000 1.246 589 Y CB -0.029 38.393 38.460 -0.064 0.000 1.068 589 Y HN 0.142 nan 8.280 nan 0.000 0.552 590 K N -1.582 118.783 120.400 -0.057 0.000 2.639 590 K HA 0.581 4.901 4.320 0.000 0.000 0.279 590 K C -0.893 175.627 176.600 -0.133 0.000 0.976 590 K CA -1.303 54.948 56.287 -0.061 0.000 0.861 590 K CB 1.749 34.253 32.500 0.007 0.000 1.436 590 K HN -0.109 nan 8.250 nan 0.000 0.400 591 R N 0.000 120.451 120.500 -0.081 0.000 2.786 591 R HA 0.000 4.340 4.340 0.000 0.000 0.208 591 R CA 0.000 56.056 56.100 -0.074 0.000 0.921 591 R CB 0.000 30.272 30.300 -0.046 0.000 0.687 591 R HN 0.000 nan 8.270 nan 0.000 0.535