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 2xa1_1_A DATA FIRST_RESID 4 DATA SEQUENCE YEVXXXXXXX RKLEDYKSII GEEEVSKIQE KAEKLKGRSF VHVNSTSFGG DATA SEQUENCE GVAEILHSLV PLLRSIGIEA RWFVIEGPTE FFNVTKTFHN ALQGNESLKL DATA SEQUENCE TEEXKELYLN VNRENSKFID LSSFDYVLVH DPQPAALIEF YEKKSPWLWR DATA SEQUENCE CHIDLSSPNR EFWEFLRRFV EKYDRYIFHL PEYVQPELDR NKAVIXPPSI DATA SEQUENCE DPLSEKNVEL KQTEILRILE RFDVDPEKPI ITQVSRFDPW KGIFDVIEIY DATA SEQUENCE RKVKEKIPGV QLLLVGVXAH DDPEGWIYFE KTLRKIGEDY DVKVLTNLIG DATA SEQUENCE VHAREVNAFQ RASDVILQXS IREGFGLTVT EAXWKGKPVI GRAVGGIKFQ DATA SEQUENCE IVDGETGFLV RDANEAVEVV LYLLKHPEVS KEXGAKAKER VRKNFIITKH DATA SEQUENCE XERYLDILNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Y HA 0.000 nan 4.550 nan 0.000 0.201 4 Y C 0.000 176.020 175.900 0.200 0.000 1.272 4 Y CA 0.000 58.206 58.100 0.177 0.000 1.940 4 Y CB 0.000 38.500 38.460 0.066 0.000 1.050 5 E N 0.372 120.657 120.200 0.142 0.000 2.698 5 E HA 0.890 5.235 4.350 -0.008 0.000 0.185 5 E C -1.443 174.995 176.600 -0.271 0.000 0.702 5 E CA -0.787 55.529 56.400 -0.139 0.000 1.104 5 E CB 2.176 31.876 29.700 0.000 0.000 1.831 5 E HN 0.575 nan 8.360 nan 0.000 0.370 15 K N 1.594 122.039 120.400 0.076 0.000 2.109 15 K HA 0.261 4.576 4.320 -0.008 0.000 0.243 15 K C 0.842 177.542 176.600 0.168 0.000 1.006 15 K CA -0.860 55.477 56.287 0.085 0.000 0.917 15 K CB 0.970 33.497 32.500 0.044 0.000 1.081 15 K HN 0.127 nan 8.250 nan 0.000 0.468 16 L N 1.531 122.827 121.223 0.121 0.000 2.056 16 L HA -0.122 4.214 4.340 -0.008 0.000 0.207 16 L C 2.089 179.069 176.870 0.183 0.000 1.078 16 L CA 1.886 56.814 54.840 0.148 0.000 0.749 16 L CB -0.589 41.499 42.059 0.049 0.000 0.901 16 L HN 0.792 nan 8.230 nan 0.000 0.433 17 E N -0.630 119.630 120.200 0.100 0.000 2.209 17 E HA -0.266 4.079 4.350 -0.008 0.000 0.196 17 E C 1.378 178.015 176.600 0.061 0.000 0.993 17 E CA 1.258 57.701 56.400 0.071 0.000 0.819 17 E CB -0.045 29.677 29.700 0.036 0.000 0.745 17 E HN 0.571 nan 8.360 nan 0.000 0.477 18 D N -0.611 119.815 120.400 0.043 0.000 2.311 18 D HA -0.174 4.461 4.640 -0.008 0.000 0.212 18 D C 0.559 176.713 176.300 -0.243 0.000 0.972 18 D CA 1.023 54.951 54.000 -0.119 0.000 0.887 18 D CB -0.095 40.575 40.800 -0.217 0.000 0.915 18 D HN 0.452 nan 8.370 nan 0.000 0.497 19 Y N -0.209 120.092 120.300 0.002 0.000 2.467 19 Y HA 0.206 4.751 4.550 -0.008 0.000 0.250 19 Y C 1.962 177.872 175.900 0.016 0.000 1.155 19 Y CA -0.491 57.613 58.100 0.007 0.000 1.249 19 Y CB 0.227 38.680 38.460 -0.011 0.000 1.146 19 Y HN -0.211 nan 8.280 nan 0.000 0.524 20 K N 1.065 121.546 120.400 0.135 0.000 2.052 20 K HA -0.262 4.054 4.320 -0.008 0.000 0.215 20 K C 2.099 178.744 176.600 0.075 0.000 1.053 20 K CA 2.311 58.650 56.287 0.087 0.000 0.934 20 K CB -0.231 32.302 32.500 0.054 0.000 0.717 20 K HN 0.379 nan 8.250 nan 0.000 0.450 21 S N 0.032 115.767 115.700 0.058 0.000 2.500 21 S HA -0.102 4.364 4.470 -0.008 0.000 0.239 21 S C 1.827 176.476 174.600 0.082 0.000 0.989 21 S CA 1.092 59.324 58.200 0.053 0.000 0.951 21 S CB -0.417 62.802 63.200 0.032 0.000 0.759 21 S HN 0.362 nan 8.310 nan 0.000 0.523 22 I N 1.137 121.780 120.570 0.121 0.000 2.810 22 I HA 0.128 4.293 4.170 -0.008 0.000 0.262 22 I C 2.250 178.460 176.117 0.155 0.000 1.131 22 I CA 0.790 62.196 61.300 0.177 0.000 1.453 22 I CB -0.142 38.009 38.000 0.252 0.000 1.161 22 I HN 0.331 nan 8.210 nan 0.000 0.444 23 I N -1.181 119.463 120.570 0.124 0.000 3.645 23 I HA 0.462 4.628 4.170 -0.008 0.000 0.300 23 I C 0.866 177.016 176.117 0.056 0.000 1.260 23 I CA 0.078 61.427 61.300 0.083 0.000 1.365 23 I CB -0.156 37.879 38.000 0.058 0.000 1.077 23 I HN 0.169 nan 8.210 nan 0.000 0.439 24 G N 2.540 111.373 108.800 0.056 0.000 2.862 24 G HA2 -0.238 3.717 3.960 -0.008 0.000 0.686 24 G HA3 -0.238 3.717 3.960 -0.008 0.000 0.686 24 G C 0.125 175.043 174.900 0.030 0.000 1.134 24 G CA 0.144 45.267 45.100 0.038 0.000 0.791 24 G HN 0.373 nan 8.290 nan 0.000 0.592 25 E N 0.326 120.540 120.200 0.025 0.000 2.136 25 E HA -0.213 4.133 4.350 -0.008 0.000 0.202 25 E C 2.134 178.742 176.600 0.014 0.000 1.019 25 E CA 2.544 58.956 56.400 0.019 0.000 0.819 25 E CB -0.121 29.588 29.700 0.016 0.000 0.739 25 E HN 0.784 nan 8.360 nan 0.000 0.458 26 E N -0.182 120.025 120.200 0.011 0.000 2.012 26 E HA -0.308 4.037 4.350 -0.008 0.000 0.197 26 E C 2.009 178.610 176.600 0.003 0.000 1.007 26 E CA 1.670 58.074 56.400 0.006 0.000 0.816 26 E CB -0.278 29.425 29.700 0.005 0.000 0.762 26 E HN 0.199 nan 8.360 nan 0.000 0.451 27 E N 0.200 120.402 120.200 0.003 0.000 2.118 27 E HA -0.165 4.180 4.350 -0.008 0.000 0.195 27 E C 1.949 178.546 176.600 -0.006 0.000 0.992 27 E CA 1.523 57.920 56.400 -0.004 0.000 0.804 27 E CB -0.259 29.440 29.700 -0.002 0.000 0.741 27 E HN 0.245 nan 8.360 nan 0.000 0.458 28 V N 0.296 120.213 119.914 0.005 0.000 2.594 28 V HA -0.213 3.903 4.120 -0.008 0.000 0.253 28 V C 2.257 178.351 176.094 0.000 0.000 1.069 28 V CA 1.663 63.967 62.300 0.006 0.000 1.082 28 V CB -0.518 31.318 31.823 0.021 0.000 0.680 28 V HN 0.208 nan 8.190 nan 0.000 0.469 29 S N -0.180 115.520 115.700 0.000 0.000 2.325 29 S HA -0.138 4.327 4.470 -0.008 0.000 0.213 29 S C 1.967 176.563 174.600 -0.007 0.000 1.031 29 S CA 1.133 59.332 58.200 -0.001 0.000 0.984 29 S CB -0.292 62.908 63.200 0.001 0.000 0.939 29 S HN 0.528 nan 8.310 nan 0.000 0.438 30 K N 0.804 121.199 120.400 -0.009 0.000 2.163 30 K HA -0.194 4.121 4.320 -0.008 0.000 0.210 30 K C 1.932 178.521 176.600 -0.018 0.000 1.048 30 K CA 1.537 57.816 56.287 -0.013 0.000 0.928 30 K CB -0.551 31.938 32.500 -0.017 0.000 0.716 30 K HN 0.357 nan 8.250 nan 0.000 0.459 31 I N 0.808 121.365 120.570 -0.023 0.000 2.110 31 I HA -0.311 3.854 4.170 -0.008 0.000 0.236 31 I C 2.540 178.643 176.117 -0.023 0.000 1.068 31 I CA 1.406 62.688 61.300 -0.030 0.000 1.333 31 I CB -0.307 37.668 38.000 -0.040 0.000 1.054 31 I HN 0.218 nan 8.210 nan 0.000 0.402 32 Q N 0.230 120.021 119.800 -0.016 0.000 2.181 32 Q HA -0.287 4.048 4.340 -0.008 0.000 0.205 32 Q C 2.072 178.067 176.000 -0.008 0.000 0.980 32 Q CA 1.870 57.667 55.803 -0.010 0.000 0.862 32 Q CB -0.138 28.598 28.738 -0.004 0.000 0.905 32 Q HN 0.473 nan 8.270 nan 0.000 0.429 33 E N 1.104 121.299 120.200 -0.007 0.000 2.007 33 E HA -0.228 4.118 4.350 -0.008 0.000 0.194 33 E C 1.549 178.145 176.600 -0.005 0.000 0.999 33 E CA 1.250 57.648 56.400 -0.005 0.000 0.811 33 E CB 0.085 29.782 29.700 -0.004 0.000 0.762 33 E HN 0.190 nan 8.360 nan 0.000 0.450 34 K N -0.015 120.379 120.400 -0.009 0.000 2.281 34 K HA -0.087 4.228 4.320 -0.008 0.000 0.203 34 K C 1.873 178.467 176.600 -0.010 0.000 1.046 34 K CA 0.836 57.118 56.287 -0.008 0.000 0.938 34 K CB -0.063 32.431 32.500 -0.011 0.000 0.737 34 K HN 0.163 nan 8.250 nan 0.000 0.458 35 A N 1.091 123.903 122.820 -0.014 0.000 2.235 35 A HA -0.067 4.248 4.320 -0.008 0.000 0.208 35 A C 1.588 179.166 177.584 -0.009 0.000 1.172 35 A CA 0.819 52.846 52.037 -0.017 0.000 0.786 35 A CB -0.021 18.966 19.000 -0.022 0.000 0.804 35 A HN 0.097 nan 8.150 nan 0.000 0.479 36 E N 0.725 120.923 120.200 -0.003 0.000 2.127 36 E HA -0.069 4.277 4.350 -0.008 0.000 0.191 36 E C 1.430 178.034 176.600 0.008 0.000 0.964 36 E CA 1.141 57.543 56.400 0.003 0.000 0.832 36 E CB -0.235 29.467 29.700 0.004 0.000 0.790 36 E HN 0.845 nan 8.360 nan 0.000 0.465 37 K N 0.766 121.171 120.400 0.008 0.000 2.632 37 K HA 0.078 4.393 4.320 -0.008 0.000 0.196 37 K C 1.233 177.844 176.600 0.018 0.000 1.023 37 K CA 0.471 56.767 56.287 0.016 0.000 1.098 37 K CB 0.061 32.571 32.500 0.017 0.000 0.862 37 K HN 0.063 nan 8.250 nan 0.000 0.504 38 L N -0.199 121.028 121.223 0.007 0.000 3.500 38 L HA 0.174 4.509 4.340 -0.008 0.000 0.320 38 L C 0.338 177.210 176.870 0.002 0.000 1.205 38 L CA -0.659 54.177 54.840 -0.007 0.000 1.117 38 L CB 0.392 42.420 42.059 -0.051 0.000 1.542 38 L HN 0.082 nan 8.230 nan 0.000 0.622 39 K N 1.286 121.692 120.400 0.010 0.000 2.542 39 K HA 0.116 4.431 4.320 -0.008 0.000 0.276 39 K C 1.365 177.983 176.600 0.030 0.000 0.963 39 K CA 1.396 57.692 56.287 0.015 0.000 0.975 39 K CB 0.422 32.930 32.500 0.014 0.000 0.901 39 K HN 0.187 nan 8.250 nan 0.000 0.506 40 G N 2.794 111.615 108.800 0.035 0.000 2.435 40 G HA2 -0.352 3.604 3.960 -0.008 0.000 0.245 40 G HA3 -0.352 3.604 3.960 -0.008 0.000 0.245 40 G C 0.242 175.186 174.900 0.073 0.000 1.073 40 G CA 0.565 45.694 45.100 0.049 0.000 0.638 40 G HN 0.704 nan 8.290 nan 0.000 0.521 41 R N 0.713 121.261 120.500 0.080 0.000 2.863 41 R HA 0.456 4.792 4.340 -0.008 0.000 0.273 41 R C 0.101 176.493 176.300 0.153 0.000 1.057 41 R CA 0.570 56.745 56.100 0.126 0.000 1.191 41 R CB 0.130 30.513 30.300 0.140 0.000 1.104 41 R HN 0.251 nan 8.270 nan 0.000 0.519 42 S N 0.641 116.476 115.700 0.225 0.000 2.462 42 S HA 0.370 4.835 4.470 -0.008 0.000 0.294 42 S C -1.167 173.563 174.600 0.215 0.000 1.144 42 S CA -0.463 57.900 58.200 0.272 0.000 1.088 42 S CB 0.604 64.077 63.200 0.455 0.000 1.009 42 S HN 0.362 nan 8.310 nan 0.000 0.484 43 F N 4.196 124.125 119.950 -0.036 0.000 2.676 43 F HA 0.471 4.994 4.527 -0.007 0.000 0.371 43 F C -0.691 174.930 175.800 -0.298 0.000 1.141 43 F CA -0.756 57.128 58.000 -0.194 0.000 1.133 43 F CB 0.488 39.344 39.000 -0.240 0.000 1.376 43 F HN 0.264 nan 8.300 nan 0.000 0.491 44 V N 5.236 125.034 119.914 -0.193 0.000 2.617 44 V HA 0.385 4.500 4.120 -0.008 0.000 0.298 44 V C -0.339 175.591 176.094 -0.273 0.000 1.048 44 V CA -0.527 61.622 62.300 -0.251 0.000 0.964 44 V CB 1.519 33.040 31.823 -0.503 0.000 1.004 44 V HN 0.489 nan 8.190 nan 0.000 0.466 45 H N 2.295 121.396 119.070 0.052 0.000 2.538 45 H HA 0.679 5.231 4.556 -0.007 0.000 0.353 45 H C -1.115 174.323 175.328 0.183 0.000 1.109 45 H CA -0.338 55.760 56.048 0.085 0.000 1.192 45 H CB 2.232 31.945 29.762 -0.082 0.000 1.555 45 H HN 0.386 nan 8.280 nan 0.000 0.518 46 V N 4.548 124.666 119.914 0.340 0.000 2.789 46 V HA 0.363 4.478 4.120 -0.008 0.000 0.311 46 V C -0.035 176.250 176.094 0.317 0.000 1.073 46 V CA -0.848 61.648 62.300 0.327 0.000 0.921 46 V CB 2.014 33.973 31.823 0.227 0.000 1.009 46 V HN 0.940 nan 8.190 nan 0.000 0.426 47 N N 1.950 120.827 118.700 0.296 0.000 3.378 47 N HA 0.307 5.042 4.740 -0.008 0.000 0.294 47 N C 0.130 175.808 175.510 0.279 0.000 1.544 47 N CA -0.174 53.028 53.050 0.253 0.000 0.872 47 N CB 1.463 40.002 38.487 0.086 0.000 1.670 47 N HN 0.259 nan 8.380 nan 0.000 0.551 48 S N -0.456 115.399 115.700 0.258 0.000 2.355 48 S HA 0.076 4.541 4.470 -0.008 0.000 0.216 48 S C 0.826 175.566 174.600 0.233 0.000 1.037 48 S CA 1.023 59.401 58.200 0.296 0.000 0.955 48 S CB -0.351 63.004 63.200 0.259 0.000 0.877 48 S HN 0.793 nan 8.310 nan 0.000 0.488 49 T N 0.065 114.711 114.554 0.154 0.000 2.927 49 T HA 0.441 4.786 4.350 -0.008 0.000 0.281 49 T C 0.788 175.629 174.700 0.235 0.000 0.998 49 T CA -0.210 61.998 62.100 0.179 0.000 1.019 49 T CB 1.548 70.475 68.868 0.099 0.000 1.061 49 T HN 0.111 nan 8.240 nan 0.000 0.518 50 S N 1.021 116.869 115.700 0.246 0.000 2.589 50 S HA 0.355 4.821 4.470 -0.008 0.000 0.235 50 S C -0.676 173.721 174.600 -0.339 0.000 1.051 50 S CA -0.466 57.680 58.200 -0.090 0.000 0.978 50 S CB 0.053 63.108 63.200 -0.241 0.000 0.929 50 S HN 0.536 nan 8.310 nan 0.000 0.523 51 F N 1.431 121.420 119.950 0.066 0.000 2.460 51 F HA 0.800 5.322 4.527 -0.008 0.000 0.341 51 F C 0.739 176.556 175.800 0.029 0.000 1.130 51 F CA -0.277 57.759 58.000 0.060 0.000 0.962 51 F CB 1.683 40.718 39.000 0.059 0.000 1.171 51 F HN 0.212 nan 8.300 nan 0.000 0.436 52 G N 0.794 109.679 108.800 0.142 0.000 2.343 52 G HA2 0.455 4.411 3.960 -0.008 0.000 0.289 52 G HA3 0.455 4.411 3.960 -0.008 0.000 0.289 52 G C -0.957 173.955 174.900 0.020 0.000 1.295 52 G CA -0.228 44.918 45.100 0.078 0.000 0.869 52 G HN 0.863 nan 8.290 nan 0.000 0.522 53 G N -1.797 107.003 108.800 -0.000 0.000 2.642 53 G HA2 0.786 4.742 3.960 -0.008 0.000 0.291 53 G HA3 0.786 4.742 3.960 -0.008 0.000 0.291 53 G C 1.218 176.072 174.900 -0.078 0.000 1.345 53 G CA 1.110 46.195 45.100 -0.025 0.000 1.043 53 G HN 2.358 nan 8.290 nan 0.000 0.528 54 G N -1.298 107.448 108.800 -0.089 0.000 2.602 54 G HA2 -0.306 3.650 3.960 -0.008 0.000 0.310 54 G HA3 -0.306 3.650 3.960 -0.008 0.000 0.310 54 G C 1.416 176.182 174.900 -0.222 0.000 1.183 54 G CA 1.767 46.785 45.100 -0.137 0.000 0.979 54 G HN 1.406 nan 8.290 nan 0.000 0.545 55 V N 1.506 121.234 119.914 -0.310 0.000 2.219 55 V HA -0.057 4.059 4.120 -0.008 0.000 0.248 55 V C 3.525 179.323 176.094 -0.492 0.000 1.053 55 V CA 4.058 66.092 62.300 -0.443 0.000 1.009 55 V CB -1.665 29.861 31.823 -0.495 0.000 0.636 55 V HN 1.605 nan 8.190 nan 0.000 0.445 56 A N -0.410 122.197 122.820 -0.356 0.000 1.852 56 A HA -0.372 3.944 4.320 -0.008 0.000 0.217 56 A C 2.290 179.653 177.584 -0.370 0.000 1.215 56 A CA 2.566 54.413 52.037 -0.317 0.000 0.641 56 A CB -0.930 18.006 19.000 -0.108 0.000 0.838 56 A HN 0.655 nan 8.150 nan 0.000 0.450 57 E N -0.835 119.245 120.200 -0.199 0.000 2.114 57 E HA -0.227 4.118 4.350 -0.008 0.000 0.199 57 E C 1.908 178.442 176.600 -0.110 0.000 1.008 57 E CA 1.636 57.987 56.400 -0.083 0.000 0.810 57 E CB -0.170 29.504 29.700 -0.042 0.000 0.739 57 E HN 0.525 nan 8.360 nan 0.000 0.456 58 I N 0.848 121.292 120.570 -0.211 0.000 2.202 58 I HA -0.254 3.912 4.170 -0.008 0.000 0.242 58 I C 2.505 178.453 176.117 -0.282 0.000 1.091 58 I CA 1.037 62.206 61.300 -0.219 0.000 1.368 58 I CB -1.126 36.731 38.000 -0.238 0.000 1.058 58 I HN 0.276 nan 8.210 nan 0.000 0.410 59 L N -0.277 120.625 121.223 -0.534 0.000 2.012 59 L HA -0.278 4.057 4.340 -0.008 0.000 0.210 59 L C 2.568 179.283 176.870 -0.259 0.000 1.073 59 L CA 1.565 55.971 54.840 -0.723 0.000 0.748 59 L CB -1.037 39.973 42.059 -1.748 0.000 0.891 59 L HN 0.318 nan 8.230 nan 0.000 0.431 60 H N -1.107 117.888 119.070 -0.125 0.000 2.472 60 H HA -0.185 4.366 4.556 -0.008 0.000 0.296 60 H C 2.146 177.477 175.328 0.005 0.000 1.120 60 H CA 1.134 57.232 56.048 0.084 0.000 1.250 60 H CB 0.278 30.087 29.762 0.078 0.000 1.366 60 H HN 0.331 nan 8.280 nan 0.000 0.524 61 S N -0.538 115.204 115.700 0.070 0.000 2.545 61 S HA -0.015 4.451 4.470 -0.008 0.000 0.232 61 S C 1.787 176.374 174.600 -0.022 0.000 1.070 61 S CA -0.093 58.128 58.200 0.035 0.000 0.923 61 S CB 0.173 63.397 63.200 0.039 0.000 0.806 61 S HN 0.126 nan 8.310 nan 0.000 0.506 62 L N 2.584 123.751 121.223 -0.093 0.000 2.083 62 L HA 0.024 4.359 4.340 -0.008 0.000 0.209 62 L C 2.031 178.815 176.870 -0.143 0.000 1.083 62 L CA 1.457 56.219 54.840 -0.129 0.000 0.752 62 L CB -0.672 41.286 42.059 -0.168 0.000 0.899 62 L HN 0.097 nan 8.230 nan 0.000 0.433 63 V N 0.545 120.383 119.914 -0.127 0.000 2.216 63 V HA -0.202 3.914 4.120 -0.008 0.000 0.243 63 V C 0.055 176.122 176.094 -0.046 0.000 1.044 63 V CA 2.346 64.601 62.300 -0.076 0.000 0.995 63 V CB -1.882 29.959 31.823 0.029 0.000 0.633 63 V HN 0.317 nan 8.190 nan 0.000 0.446 64 P HA -0.189 nan 4.420 nan 0.000 0.216 64 P C 1.911 179.204 177.300 -0.013 0.000 1.157 64 P CA 1.344 64.444 63.100 -0.001 0.000 0.880 64 P CB -0.141 31.569 31.700 0.016 0.000 0.791 65 L N -1.119 120.094 121.223 -0.017 0.000 2.081 65 L HA -0.177 4.158 4.340 -0.008 0.000 0.212 65 L C 2.219 179.050 176.870 -0.064 0.000 1.080 65 L CA 1.766 56.589 54.840 -0.027 0.000 0.754 65 L CB -1.377 40.649 42.059 -0.055 0.000 0.893 65 L HN -0.077 nan 8.230 nan 0.000 0.433 66 L N -0.982 120.179 121.223 -0.104 0.000 2.027 66 L HA -0.200 4.136 4.340 -0.008 0.000 0.206 66 L C 2.790 179.608 176.870 -0.087 0.000 1.074 66 L CA 1.329 56.084 54.840 -0.141 0.000 0.745 66 L CB -0.434 41.473 42.059 -0.253 0.000 0.898 66 L HN 0.300 nan 8.230 nan 0.000 0.433 67 R N -0.555 119.910 120.500 -0.058 0.000 2.083 67 R HA -0.146 4.189 4.340 -0.008 0.000 0.237 67 R C 2.265 178.555 176.300 -0.018 0.000 1.137 67 R CA 1.673 57.757 56.100 -0.027 0.000 0.951 67 R CB -0.996 29.297 30.300 -0.013 0.000 0.851 67 R HN 0.248 nan 8.270 nan 0.000 0.434 68 S N 1.802 117.494 115.700 -0.014 0.000 2.413 68 S HA -0.141 4.324 4.470 -0.008 0.000 0.237 68 S C 1.917 176.513 174.600 -0.007 0.000 1.044 68 S CA 1.723 59.921 58.200 -0.003 0.000 1.024 68 S CB -0.421 62.784 63.200 0.008 0.000 0.829 68 S HN 0.521 nan 8.310 nan 0.000 0.475 69 I N -1.413 119.145 120.570 -0.021 0.000 3.806 69 I HA 0.446 4.612 4.170 -0.008 0.000 0.321 69 I C 0.813 176.921 176.117 -0.016 0.000 1.315 69 I CA 0.031 61.319 61.300 -0.021 0.000 1.148 69 I CB -0.851 37.128 38.000 -0.035 0.000 1.028 69 I HN 0.190 nan 8.210 nan 0.000 0.415 70 G N 2.722 111.515 108.800 -0.011 0.000 2.473 70 G HA2 -0.197 3.759 3.960 -0.008 0.000 0.289 70 G HA3 -0.197 3.759 3.960 -0.008 0.000 0.289 70 G C -0.579 174.321 174.900 -0.001 0.000 1.084 70 G CA -0.135 44.964 45.100 -0.002 0.000 1.215 70 G HN 0.514 nan 8.290 nan 0.000 0.527 71 I N -0.367 120.200 120.570 -0.004 0.000 2.586 71 I HA 0.184 4.349 4.170 -0.008 0.000 0.288 71 I C 0.461 176.592 176.117 0.024 0.000 1.147 71 I CA -0.749 60.555 61.300 0.007 0.000 1.047 71 I CB 2.075 40.061 38.000 -0.024 0.000 1.244 71 I HN 0.314 nan 8.210 nan 0.000 0.429 72 E N 5.879 126.117 120.200 0.062 0.000 2.443 72 E HA 0.236 4.581 4.350 -0.008 0.000 0.310 72 E C -0.134 176.527 176.600 0.102 0.000 1.202 72 E CA -0.201 56.251 56.400 0.087 0.000 1.301 72 E CB 0.265 30.039 29.700 0.123 0.000 1.104 72 E HN 0.596 nan 8.360 nan 0.000 0.487 73 A N 4.123 126.971 122.820 0.048 0.000 2.309 73 A HA 0.503 4.819 4.320 -0.008 0.000 0.298 73 A C -0.106 177.479 177.584 0.001 0.000 1.165 73 A CA -0.471 51.587 52.037 0.035 0.000 0.821 73 A CB 0.792 19.740 19.000 -0.087 0.000 1.102 73 A HN 0.606 nan 8.150 nan 0.000 0.500 74 R N 1.089 121.564 120.500 -0.043 0.000 2.771 74 R HA 0.482 4.817 4.340 -0.008 0.000 0.274 74 R C -2.155 173.991 176.300 -0.257 0.000 0.987 74 R CA -0.575 55.400 56.100 -0.208 0.000 0.908 74 R CB 1.549 31.649 30.300 -0.333 0.000 1.213 74 R HN 0.786 nan 8.270 nan 0.000 0.468 75 W N 5.318 126.246 121.300 -0.620 0.000 2.554 75 W HA 0.438 5.093 4.660 -0.008 0.000 0.324 75 W C -2.096 174.010 176.519 -0.688 0.000 1.018 75 W CA -1.483 55.565 57.345 -0.495 0.000 1.243 75 W CB 0.504 29.802 29.460 -0.271 0.000 1.345 75 W HN 0.400 nan 8.180 nan 0.000 0.441 76 F N 4.766 124.827 119.950 0.186 0.000 2.507 76 F HA 0.713 5.235 4.527 -0.007 0.000 0.327 76 F C -0.090 175.657 175.800 -0.088 0.000 1.068 76 F CA -1.395 56.551 58.000 -0.090 0.000 0.965 76 F CB 1.621 40.608 39.000 -0.021 0.000 1.192 76 F HN -0.142 nan 8.300 nan 0.000 0.476 77 V N 3.748 123.530 119.914 -0.219 0.000 2.443 77 V HA 0.340 4.456 4.120 -0.008 0.000 0.293 77 V C 0.135 176.232 176.094 0.005 0.000 1.021 77 V CA -1.013 61.163 62.300 -0.207 0.000 0.848 77 V CB 1.515 32.921 31.823 -0.696 0.000 0.998 77 V HN 0.673 nan 8.190 nan 0.000 0.424 78 I N 1.471 122.145 120.570 0.174 0.000 3.112 78 I HA 0.517 4.682 4.170 -0.008 0.000 0.284 78 I C -0.025 176.260 176.117 0.280 0.000 1.227 78 I CA 0.195 61.609 61.300 0.189 0.000 1.369 78 I CB 0.579 38.693 38.000 0.189 0.000 1.376 78 I HN 0.773 nan 8.210 nan 0.000 0.608 79 E N 1.804 122.106 120.200 0.170 0.000 2.356 79 E HA 0.732 5.078 4.350 -0.008 0.000 0.275 79 E C -0.952 175.603 176.600 -0.075 0.000 0.904 79 E CA -0.808 55.717 56.400 0.208 0.000 0.757 79 E CB 2.300 32.126 29.700 0.209 0.000 1.232 79 E HN 1.044 nan 8.360 nan 0.000 0.442 80 G N 2.276 111.007 108.800 -0.116 0.000 2.550 80 G HA2 0.485 4.441 3.960 -0.008 0.000 0.293 80 G HA3 0.485 4.441 3.960 -0.008 0.000 0.293 80 G C -2.917 171.796 174.900 -0.312 0.000 1.402 80 G CA -0.885 43.974 45.100 -0.401 0.000 0.784 80 G HN 0.417 nan 8.290 nan 0.000 0.482 81 P HA 0.275 nan 4.420 nan 0.000 0.278 81 P C 0.882 178.154 177.300 -0.047 0.000 1.266 81 P CA -0.142 62.916 63.100 -0.070 0.000 0.807 81 P CB 1.260 32.943 31.700 -0.028 0.000 1.094 82 T N 0.413 115.036 114.554 0.114 0.000 2.680 82 T HA -0.218 4.127 4.350 -0.008 0.000 0.268 82 T C 1.446 176.245 174.700 0.165 0.000 1.033 82 T CA 2.159 64.386 62.100 0.211 0.000 1.152 82 T CB -0.564 68.401 68.868 0.162 0.000 0.859 82 T HN 0.520 nan 8.240 nan 0.000 0.452 83 E N 0.766 121.031 120.200 0.109 0.000 2.048 83 E HA -0.130 4.215 4.350 -0.008 0.000 0.202 83 E C 1.709 178.391 176.600 0.136 0.000 1.021 83 E CA 1.182 57.653 56.400 0.118 0.000 0.825 83 E CB -0.702 29.059 29.700 0.103 0.000 0.756 83 E HN 0.524 nan 8.360 nan 0.000 0.454 84 F N 0.128 120.026 119.950 -0.086 0.000 2.120 84 F HA -0.221 4.301 4.527 -0.008 0.000 0.300 84 F C 1.786 177.586 175.800 0.000 0.000 1.095 84 F CA 1.531 59.461 58.000 -0.117 0.000 1.249 84 F CB -0.295 38.490 39.000 -0.358 0.000 0.995 84 F HN 0.014 nan 8.300 nan 0.000 0.480 85 F N -0.035 119.985 119.950 0.117 0.000 2.234 85 F HA -0.151 4.372 4.527 -0.007 0.000 0.296 85 F C 2.236 178.056 175.800 0.033 0.000 1.089 85 F CA 0.578 58.594 58.000 0.027 0.000 1.343 85 F CB -0.546 38.532 39.000 0.132 0.000 1.040 85 F HN -0.074 nan 8.300 nan 0.000 0.498 86 N N 0.493 119.341 118.700 0.247 0.000 2.309 86 N HA -0.115 4.620 4.740 -0.008 0.000 0.182 86 N C 1.959 177.580 175.510 0.184 0.000 1.018 86 N CA 0.980 54.141 53.050 0.185 0.000 0.876 86 N CB -0.374 38.205 38.487 0.153 0.000 0.972 86 N HN 0.133 nan 8.380 nan 0.000 0.434 87 V N 1.271 121.291 119.914 0.176 0.000 2.323 87 V HA -0.185 3.931 4.120 -0.008 0.000 0.244 87 V C 2.650 178.991 176.094 0.412 0.000 1.041 87 V CA 2.173 64.636 62.300 0.271 0.000 1.025 87 V CB -1.166 30.802 31.823 0.242 0.000 0.656 87 V HN 0.477 nan 8.190 nan 0.000 0.451 88 T N -1.520 113.119 114.554 0.141 0.000 2.867 88 T HA -0.261 4.085 4.350 -0.008 0.000 0.268 88 T C 1.866 176.739 174.700 0.288 0.000 1.057 88 T CA 1.677 63.858 62.100 0.134 0.000 1.136 88 T CB -0.328 68.498 68.868 -0.069 0.000 0.874 88 T HN 0.427 nan 8.240 nan 0.000 0.466 89 K N 0.834 121.367 120.400 0.222 0.000 2.063 89 K HA -0.145 4.171 4.320 -0.008 0.000 0.208 89 K C 2.357 179.083 176.600 0.209 0.000 1.048 89 K CA 1.790 58.178 56.287 0.170 0.000 0.928 89 K CB -0.502 32.072 32.500 0.124 0.000 0.713 89 K HN 0.383 nan 8.250 nan 0.000 0.442 90 T N 0.571 115.266 114.554 0.236 0.000 2.737 90 T HA -0.098 4.248 4.350 -0.008 0.000 0.265 90 T C 1.490 176.254 174.700 0.106 0.000 1.038 90 T CA 1.414 63.608 62.100 0.157 0.000 1.144 90 T CB -0.337 68.636 68.868 0.175 0.000 0.866 90 T HN 0.136 nan 8.240 nan 0.000 0.434 91 F N 1.269 121.306 119.950 0.144 0.000 2.091 91 F HA -0.178 4.344 4.527 -0.008 0.000 0.299 91 F C 2.486 178.320 175.800 0.057 0.000 1.103 91 F CA 1.384 59.475 58.000 0.151 0.000 1.228 91 F CB -0.831 38.308 39.000 0.231 0.000 0.984 91 F HN 0.330 nan 8.300 nan 0.000 0.477 92 H N 1.012 120.223 119.070 0.236 0.000 2.265 92 H HA -0.206 4.346 4.556 -0.008 0.000 0.293 92 H C 1.884 177.228 175.328 0.027 0.000 1.089 92 H CA 2.280 58.407 56.048 0.132 0.000 1.244 92 H CB -0.459 29.371 29.762 0.113 0.000 1.355 92 H HN 0.202 nan 8.280 nan 0.000 0.485 93 N N 0.780 119.574 118.700 0.157 0.000 2.244 93 N HA -0.086 4.649 4.740 -0.008 0.000 0.183 93 N C 2.120 177.528 175.510 -0.171 0.000 1.016 93 N CA 1.003 54.064 53.050 0.019 0.000 0.866 93 N CB -0.489 38.026 38.487 0.046 0.000 0.980 93 N HN 0.431 nan 8.380 nan 0.000 0.430 94 A N 1.999 124.611 122.820 -0.347 0.000 1.858 94 A HA -0.054 4.262 4.320 -0.008 0.000 0.216 94 A C 2.255 179.636 177.584 -0.338 0.000 1.190 94 A CA 0.945 52.590 52.037 -0.652 0.000 0.617 94 A CB -0.886 17.026 19.000 -1.813 0.000 0.827 94 A HN 0.208 nan 8.150 nan 0.000 0.443 95 L N -0.762 120.354 121.223 -0.178 0.000 2.450 95 L HA -0.147 4.188 4.340 -0.008 0.000 0.224 95 L C 1.437 178.224 176.870 -0.137 0.000 1.149 95 L CA 0.742 55.557 54.840 -0.042 0.000 0.816 95 L CB -0.412 41.704 42.059 0.094 0.000 0.932 95 L HN 0.516 nan 8.230 nan 0.000 0.449 96 Q N -0.397 119.294 119.800 -0.181 0.000 2.375 96 Q HA 0.200 4.535 4.340 -0.008 0.000 0.316 96 Q C 1.240 177.156 176.000 -0.140 0.000 0.927 96 Q CA 0.343 56.035 55.803 -0.185 0.000 1.029 96 Q CB 0.666 29.289 28.738 -0.191 0.000 1.202 96 Q HN 0.458 nan 8.270 nan 0.000 0.431 97 G N 1.495 110.215 108.800 -0.134 0.000 2.284 97 G HA2 -0.332 3.623 3.960 -0.008 0.000 0.261 97 G HA3 -0.332 3.623 3.960 -0.008 0.000 0.261 97 G C 0.427 175.270 174.900 -0.094 0.000 0.997 97 G CA 0.204 45.240 45.100 -0.106 0.000 0.621 97 G HN 0.497 nan 8.290 nan 0.000 0.534 98 N N 1.692 120.327 118.700 -0.109 0.000 2.396 98 N HA 0.066 4.802 4.740 -0.008 0.000 0.287 98 N C 1.422 176.871 175.510 -0.101 0.000 1.316 98 N CA 0.503 53.496 53.050 -0.094 0.000 0.972 98 N CB 0.243 38.671 38.487 -0.099 0.000 1.341 98 N HN 0.505 nan 8.380 nan 0.000 0.487 99 E N 1.383 121.549 120.200 -0.057 0.000 2.347 99 E HA -0.053 4.292 4.350 -0.008 0.000 0.196 99 E C 0.893 177.487 176.600 -0.010 0.000 1.008 99 E CA 0.537 56.920 56.400 -0.028 0.000 0.852 99 E CB 0.082 29.774 29.700 -0.013 0.000 0.783 99 E HN 0.494 nan 8.360 nan 0.000 0.505 100 S N 0.605 116.295 115.700 -0.017 0.000 2.555 100 S HA 0.033 4.498 4.470 -0.008 0.000 0.230 100 S C 0.983 175.590 174.600 0.010 0.000 0.978 100 S CA 0.180 58.381 58.200 0.002 0.000 0.934 100 S CB -0.020 63.182 63.200 0.003 0.000 0.766 100 S HN 0.141 nan 8.310 nan 0.000 0.533 101 L N 1.855 123.069 121.223 -0.015 0.000 2.350 101 L HA 0.356 4.691 4.340 -0.008 0.000 0.275 101 L C 0.022 177.003 176.870 0.186 0.000 1.099 101 L CA -0.226 54.622 54.840 0.013 0.000 0.808 101 L CB 0.761 42.712 42.059 -0.180 0.000 1.149 101 L HN -0.058 nan 8.230 nan 0.000 0.442 102 K N 3.850 124.384 120.400 0.223 0.000 2.292 102 K HA 0.512 4.827 4.320 -0.008 0.000 0.257 102 K C -1.092 175.559 176.600 0.085 0.000 0.940 102 K CA -0.602 55.795 56.287 0.183 0.000 0.811 102 K CB 2.595 35.133 32.500 0.064 0.000 1.120 102 K HN 0.439 nan 8.250 nan 0.000 0.428 103 L N 3.555 124.616 121.223 -0.270 0.000 2.262 103 L HA 0.299 4.634 4.340 -0.008 0.000 0.288 103 L C -0.351 176.296 176.870 -0.372 0.000 1.035 103 L CA -0.268 54.160 54.840 -0.688 0.000 0.820 103 L CB 0.962 42.089 42.059 -1.554 0.000 1.204 103 L HN 0.770 nan 8.230 nan 0.000 0.424 104 T N -0.510 113.903 114.554 -0.236 0.000 2.829 104 T HA 0.196 4.542 4.350 -0.008 0.000 0.282 104 T C 0.870 175.479 174.700 -0.153 0.000 0.990 104 T CA -0.655 61.356 62.100 -0.149 0.000 1.028 104 T CB 1.824 70.651 68.868 -0.068 0.000 0.951 104 T HN 0.681 nan 8.240 nan 0.000 0.460 105 E N 1.494 121.613 120.200 -0.136 0.000 2.136 105 E HA -0.215 4.130 4.350 -0.008 0.000 0.202 105 E C 1.014 177.581 176.600 -0.055 0.000 1.019 105 E CA 1.455 57.786 56.400 -0.115 0.000 0.819 105 E CB -0.151 29.506 29.700 -0.072 0.000 0.739 105 E HN 0.805 nan 8.360 nan 0.000 0.458 109 E N 0.920 121.213 120.200 0.156 0.000 2.042 109 E HA -0.084 4.262 4.350 -0.008 0.000 0.189 109 E C 1.591 178.326 176.600 0.224 0.000 0.974 109 E CA 1.137 57.648 56.400 0.185 0.000 0.806 109 E CB 0.016 29.785 29.700 0.115 0.000 0.769 109 E HN 0.146 nan 8.360 nan 0.000 0.451 110 L N 1.169 122.519 121.223 0.211 0.000 2.064 110 L HA -0.280 4.056 4.340 -0.008 0.000 0.216 110 L C 2.265 179.338 176.870 0.338 0.000 1.077 110 L CA 1.899 56.876 54.840 0.229 0.000 0.766 110 L CB -0.851 41.351 42.059 0.239 0.000 0.890 110 L HN 0.201 nan 8.230 nan 0.000 0.435 111 Y N -0.418 120.071 120.300 0.315 0.000 2.097 111 Y HA -0.242 4.304 4.550 -0.008 0.000 0.282 111 Y C 2.285 178.368 175.900 0.305 0.000 1.152 111 Y CA 2.236 60.577 58.100 0.401 0.000 1.136 111 Y CB -0.497 38.133 38.460 0.282 0.000 0.975 111 Y HN 0.225 nan 8.280 nan 0.000 0.498 112 L N 0.219 121.573 121.223 0.218 0.000 2.083 112 L HA -0.237 4.098 4.340 -0.008 0.000 0.209 112 L C 2.291 179.198 176.870 0.062 0.000 1.083 112 L CA 1.217 56.138 54.840 0.135 0.000 0.752 112 L CB -0.660 41.624 42.059 0.374 0.000 0.899 112 L HN 0.314 nan 8.230 nan 0.000 0.433 113 N N -0.062 118.675 118.700 0.062 0.000 2.080 113 N HA -0.141 4.594 4.740 -0.008 0.000 0.189 113 N C 1.905 177.300 175.510 -0.190 0.000 1.036 113 N CA 1.403 54.444 53.050 -0.017 0.000 0.846 113 N CB -0.410 38.088 38.487 0.018 0.000 1.015 113 N HN 0.098 nan 8.380 nan 0.000 0.423 114 V N 1.934 121.697 119.914 -0.252 0.000 2.469 114 V HA -0.216 3.899 4.120 -0.008 0.000 0.251 114 V C 1.739 177.493 176.094 -0.566 0.000 1.064 114 V CA 1.474 63.465 62.300 -0.515 0.000 1.066 114 V CB -0.735 30.455 31.823 -1.055 0.000 0.667 114 V HN 0.283 nan 8.190 nan 0.000 0.461 115 N N -0.159 118.209 118.700 -0.552 0.000 2.188 115 N HA -0.149 4.586 4.740 -0.008 0.000 0.184 115 N C 1.971 176.921 175.510 -0.934 0.000 1.018 115 N CA 1.143 53.813 53.050 -0.634 0.000 0.858 115 N CB -0.286 37.829 38.487 -0.620 0.000 0.989 115 N HN 0.391 nan 8.380 nan 0.000 0.426 116 R N 0.817 120.713 120.500 -1.006 0.000 2.081 116 R HA -0.077 4.259 4.340 -0.008 0.000 0.235 116 R C 1.401 177.432 176.300 -0.449 0.000 1.131 116 R CA 1.126 56.646 56.100 -0.966 0.000 0.960 116 R CB 0.082 30.237 30.300 -0.242 0.000 0.856 116 R HN 0.199 nan 8.270 nan 0.000 0.436 117 E N 0.634 120.638 120.200 -0.327 0.000 2.017 117 E HA -0.177 4.168 4.350 -0.008 0.000 0.193 117 E C 1.734 178.226 176.600 -0.180 0.000 0.997 117 E CA 1.527 57.798 56.400 -0.215 0.000 0.804 117 E CB -0.509 29.064 29.700 -0.212 0.000 0.757 117 E HN 0.396 nan 8.360 nan 0.000 0.448 118 N N 0.613 119.190 118.700 -0.206 0.000 2.364 118 N HA -0.120 4.615 4.740 -0.008 0.000 0.183 118 N C 1.832 177.358 175.510 0.026 0.000 1.022 118 N CA 1.352 54.352 53.050 -0.085 0.000 0.883 118 N CB -0.094 38.341 38.487 -0.087 0.000 0.965 118 N HN 0.138 nan 8.380 nan 0.000 0.438 119 S N 0.442 116.097 115.700 -0.074 0.000 2.357 119 S HA -0.043 4.422 4.470 -0.008 0.000 0.221 119 S C 0.896 175.533 174.600 0.061 0.000 1.031 119 S CA 0.610 58.866 58.200 0.092 0.000 0.982 119 S CB -0.277 62.832 63.200 -0.150 0.000 0.853 119 S HN 0.074 nan 8.310 nan 0.000 0.458 120 K N 1.570 121.954 120.400 -0.028 0.000 2.086 120 K HA 0.253 4.568 4.320 -0.008 0.000 0.215 120 K C -0.589 176.127 176.600 0.194 0.000 1.207 120 K CA -0.042 56.257 56.287 0.020 0.000 1.206 120 K CB -0.400 32.093 32.500 -0.010 0.000 1.253 120 K HN 0.458 nan 8.250 nan 0.000 0.234 121 F N -0.120 119.829 119.950 -0.003 0.000 2.550 121 F HA 0.168 4.691 4.527 -0.008 0.000 0.269 121 F C -0.987 174.851 175.800 0.064 0.000 1.288 121 F CA -0.950 57.066 58.000 0.026 0.000 1.062 121 F CB 0.316 39.331 39.000 0.025 0.000 2.161 121 F HN -0.087 nan 8.300 nan 0.000 0.183 122 I N 3.467 123.795 120.570 -0.403 0.000 2.845 122 I HA -0.007 4.159 4.170 -0.008 0.000 0.290 122 I C -0.097 176.036 176.117 0.027 0.000 1.202 122 I CA 0.677 61.734 61.300 -0.405 0.000 1.406 122 I CB -0.224 37.459 38.000 -0.528 0.000 1.383 122 I HN 0.265 nan 8.210 nan 0.000 0.549 123 D N 7.956 128.385 120.400 0.048 0.000 2.541 123 D HA 0.006 4.642 4.640 -0.008 0.000 0.231 123 D C 1.147 177.594 176.300 0.246 0.000 1.163 123 D CA 0.169 54.317 54.000 0.246 0.000 1.077 123 D CB 0.263 41.095 40.800 0.054 0.000 1.110 123 D HN 0.468 nan 8.370 nan 0.000 0.499 124 L N 1.703 123.039 121.223 0.189 0.000 2.261 124 L HA -0.202 4.134 4.340 -0.008 0.000 0.216 124 L C 2.402 179.429 176.870 0.260 0.000 1.114 124 L CA 1.189 56.064 54.840 0.058 0.000 0.777 124 L CB -0.545 41.228 42.059 -0.476 0.000 0.910 124 L HN 0.318 nan 8.230 nan 0.000 0.440 125 S N -1.242 114.646 115.700 0.312 0.000 2.522 125 S HA -0.100 4.366 4.470 -0.008 0.000 0.227 125 S C 2.083 176.816 174.600 0.221 0.000 0.986 125 S CA 0.676 59.114 58.200 0.396 0.000 0.929 125 S CB -0.242 63.186 63.200 0.380 0.000 0.769 125 S HN 0.544 nan 8.310 nan 0.000 0.529 126 S N 0.942 116.682 115.700 0.066 0.000 2.395 126 S HA 0.170 4.636 4.470 -0.008 0.000 0.225 126 S C 0.469 174.982 174.600 -0.145 0.000 1.027 126 S CA -0.352 57.772 58.200 -0.126 0.000 0.965 126 S CB -0.995 62.008 63.200 -0.328 0.000 0.812 126 S HN 0.435 nan 8.310 nan 0.000 0.482 127 F N 3.404 123.367 119.950 0.022 0.000 2.545 127 F HA 0.183 4.706 4.527 -0.007 0.000 0.348 127 F C 1.670 177.472 175.800 0.004 0.000 1.163 127 F CA -0.319 57.691 58.000 0.017 0.000 1.331 127 F CB 0.262 39.260 39.000 -0.003 0.000 1.138 127 F HN 0.022 nan 8.300 nan 0.000 0.602 128 D N 0.437 120.975 120.400 0.230 0.000 2.144 128 D HA -0.185 4.450 4.640 -0.008 0.000 0.199 128 D C -0.293 175.966 176.300 -0.068 0.000 0.984 128 D CA 1.875 55.953 54.000 0.131 0.000 0.834 128 D CB -0.043 40.949 40.800 0.321 0.000 0.955 128 D HN 0.326 nan 8.370 nan 0.000 0.465 129 Y N -0.749 119.486 120.300 -0.108 0.000 2.457 129 Y HA 0.393 4.938 4.550 -0.008 0.000 0.343 129 Y C -0.265 175.345 175.900 -0.482 0.000 0.994 129 Y CA -0.919 56.995 58.100 -0.311 0.000 1.031 129 Y CB 2.184 40.347 38.460 -0.496 0.000 1.246 129 Y HN -0.405 nan 8.280 nan 0.000 0.449 130 V N 4.688 124.302 119.914 -0.501 0.000 2.604 130 V HA 0.546 4.662 4.120 -0.008 0.000 0.305 130 V C -0.923 174.813 176.094 -0.596 0.000 1.043 130 V CA -0.936 60.888 62.300 -0.793 0.000 0.888 130 V CB 2.316 33.085 31.823 -1.757 0.000 0.995 130 V HN 0.680 nan 8.190 nan 0.000 0.429 131 L N 4.886 125.819 121.223 -0.483 0.000 2.439 131 L HA 0.711 5.047 4.340 -0.008 0.000 0.270 131 L C -1.365 175.469 176.870 -0.060 0.000 0.972 131 L CA -0.437 54.247 54.840 -0.261 0.000 0.836 131 L CB 1.952 43.791 42.059 -0.366 0.000 1.255 131 L HN 0.481 nan 8.230 nan 0.000 0.404 132 V N 3.142 123.100 119.914 0.073 0.000 2.459 132 V HA 0.366 4.481 4.120 -0.008 0.000 0.295 132 V C -0.734 175.392 176.094 0.053 0.000 1.029 132 V CA -0.629 61.802 62.300 0.219 0.000 0.874 132 V CB 1.502 33.595 31.823 0.450 0.000 0.985 132 V HN 0.631 nan 8.190 nan 0.000 0.438 133 H N 3.799 122.933 119.070 0.105 0.000 2.594 133 H HA 0.492 5.043 4.556 -0.008 0.000 0.304 133 H C 0.133 175.502 175.328 0.068 0.000 1.068 133 H CA 0.230 56.303 56.048 0.042 0.000 1.308 133 H CB 0.363 30.203 29.762 0.130 0.000 1.409 133 H HN 0.814 nan 8.280 nan 0.000 0.460 134 D N 1.799 122.140 120.400 -0.099 0.000 4.658 134 D HA -0.184 4.451 4.640 -0.008 0.000 0.304 134 D C -1.640 174.976 176.300 0.526 0.000 2.363 134 D CA 0.046 54.096 54.000 0.082 0.000 1.179 134 D CB -0.914 40.026 40.800 0.234 0.000 1.091 134 D HN 0.358 nan 8.370 nan 0.000 1.274 135 P HA -0.106 nan 4.420 nan 0.000 0.213 135 P C 1.309 178.867 177.300 0.430 0.000 1.170 135 P CA 2.248 65.637 63.100 0.482 0.000 0.889 135 P CB 0.079 31.977 31.700 0.329 0.000 0.782 136 Q N -0.009 120.016 119.800 0.375 0.000 2.124 136 Q HA -0.191 4.144 4.340 -0.008 0.000 0.215 136 Q C -0.695 175.648 176.000 0.572 0.000 1.015 136 Q CA 2.672 58.764 55.803 0.483 0.000 0.890 136 Q CB -2.578 26.444 28.738 0.474 0.000 0.966 136 Q HN 0.436 nan 8.270 nan 0.000 0.412 137 P HA 0.318 nan 4.420 nan 0.000 0.269 137 P C -0.213 177.300 177.300 0.354 0.000 1.478 137 P CA 0.537 63.836 63.100 0.331 0.000 1.045 137 P CB 0.670 32.562 31.700 0.320 0.000 1.512 138 A N 1.461 124.527 122.820 0.410 0.000 1.902 138 A HA -0.044 4.271 4.320 -0.008 0.000 0.217 138 A C 2.278 180.003 177.584 0.235 0.000 1.181 138 A CA 1.868 54.118 52.037 0.355 0.000 0.623 138 A CB -1.409 17.717 19.000 0.210 0.000 0.818 138 A HN 0.249 nan 8.150 nan 0.000 0.443 139 A N -0.386 122.370 122.820 -0.106 0.000 2.225 139 A HA 0.077 4.392 4.320 -0.008 0.000 0.215 139 A C 1.948 179.566 177.584 0.058 0.000 1.164 139 A CA 1.052 52.797 52.037 -0.487 0.000 0.710 139 A CB -0.645 17.819 19.000 -0.893 0.000 0.780 139 A HN 0.514 nan 8.150 nan 0.000 0.473 140 L N -0.802 120.549 121.223 0.213 0.000 2.079 140 L HA -0.158 4.177 4.340 -0.008 0.000 0.210 140 L C 2.299 179.420 176.870 0.419 0.000 1.081 140 L CA 1.332 56.399 54.840 0.378 0.000 0.752 140 L CB -0.486 41.794 42.059 0.367 0.000 0.896 140 L HN 0.499 nan 8.230 nan 0.000 0.433 141 I N -0.031 120.670 120.570 0.218 0.000 3.164 141 I HA -0.244 3.922 4.170 -0.008 0.000 0.278 141 I C 2.130 178.091 176.117 -0.260 0.000 1.320 141 I CA 0.735 61.761 61.300 -0.455 0.000 1.422 141 I CB 0.146 37.721 38.000 -0.709 0.000 1.066 141 I HN 0.301 nan 8.210 nan 0.000 0.503 142 E N 0.653 120.881 120.200 0.045 0.000 2.127 142 E HA -0.070 4.275 4.350 -0.008 0.000 0.191 142 E C 1.247 177.755 176.600 -0.155 0.000 0.964 142 E CA 1.042 57.395 56.400 -0.080 0.000 0.832 142 E CB -0.153 29.468 29.700 -0.132 0.000 0.790 142 E HN 0.450 nan 8.360 nan 0.000 0.465 143 F N 0.056 120.041 119.950 0.058 0.000 2.725 143 F HA 0.227 4.749 4.527 -0.008 0.000 0.303 143 F C -0.442 175.220 175.800 -0.230 0.000 1.167 143 F CA 0.171 58.139 58.000 -0.054 0.000 1.403 143 F CB -0.293 38.655 39.000 -0.086 0.000 1.077 143 F HN -0.087 nan 8.300 nan 0.000 0.537 144 Y N -0.867 119.427 120.300 -0.011 0.000 2.588 144 Y HA 0.419 4.964 4.550 -0.008 0.000 0.343 144 Y C -0.272 175.523 175.900 -0.175 0.000 1.065 144 Y CA -2.187 55.882 58.100 -0.050 0.000 1.038 144 Y CB 1.075 39.546 38.460 0.019 0.000 1.297 144 Y HN -0.169 nan 8.280 nan 0.000 0.467 145 E N 1.414 121.629 120.200 0.024 0.000 2.081 145 E HA 0.228 4.574 4.350 -0.008 0.000 0.276 145 E C -0.975 175.563 176.600 -0.102 0.000 0.950 145 E CA -0.772 55.584 56.400 -0.073 0.000 0.776 145 E CB 1.151 30.820 29.700 -0.051 0.000 1.094 145 E HN 0.461 nan 8.360 nan 0.000 0.402 146 K N 2.489 122.752 120.400 -0.228 0.000 2.453 146 K HA -0.033 4.282 4.320 -0.008 0.000 0.280 146 K C 0.565 177.101 176.600 -0.107 0.000 1.045 146 K CA 0.594 56.728 56.287 -0.255 0.000 1.059 146 K CB 0.643 32.925 32.500 -0.363 0.000 0.901 146 K HN 0.449 nan 8.250 nan 0.000 0.475 147 K N 0.435 120.817 120.400 -0.030 0.000 2.485 147 K HA 0.021 4.337 4.320 -0.008 0.000 0.200 147 K C 0.443 177.037 176.600 -0.011 0.000 1.352 147 K CA 0.005 56.283 56.287 -0.015 0.000 0.953 147 K CB 0.691 33.196 32.500 0.009 0.000 1.387 147 K HN 0.552 nan 8.250 nan 0.000 0.512 148 S N 1.591 117.323 115.700 0.054 0.000 2.690 148 S HA 0.507 4.973 4.470 -0.008 0.000 0.291 148 S C -2.861 171.794 174.600 0.092 0.000 1.138 148 S CA -1.736 56.467 58.200 0.004 0.000 1.013 148 S CB 1.659 64.867 63.200 0.014 0.000 1.053 148 S HN -0.220 nan 8.310 nan 0.000 0.539 149 P HA 0.268 nan 4.420 nan 0.000 0.271 149 P C -1.396 176.022 177.300 0.196 0.000 1.218 149 P CA -0.123 62.977 63.100 0.001 0.000 0.780 149 P CB 0.240 31.828 31.700 -0.186 0.000 0.901 150 W N 2.843 124.083 121.300 -0.099 0.000 2.600 150 W HA 0.379 5.034 4.660 -0.007 0.000 0.325 150 W C -1.254 175.404 176.519 0.232 0.000 1.034 150 W CA -0.213 57.126 57.345 -0.009 0.000 1.226 150 W CB 1.003 30.318 29.460 -0.242 0.000 1.379 150 W HN 0.067 nan 8.180 nan 0.000 0.466 151 L N 2.677 124.114 121.223 0.357 0.000 2.329 151 L HA 0.430 4.765 4.340 -0.008 0.000 0.279 151 L C -0.774 176.278 176.870 0.303 0.000 1.014 151 L CA -1.193 53.822 54.840 0.290 0.000 0.814 151 L CB 0.940 43.026 42.059 0.046 0.000 1.257 151 L HN 0.519 nan 8.230 nan 0.000 0.424 152 W N 3.962 125.218 121.300 -0.072 0.000 2.417 152 W HA 0.571 5.227 4.660 -0.007 0.000 0.315 152 W C -0.052 176.302 176.519 -0.276 0.000 1.045 152 W CA -0.787 56.356 57.345 -0.337 0.000 1.221 152 W CB 1.211 30.336 29.460 -0.559 0.000 1.309 152 W HN 0.458 nan 8.180 nan 0.000 0.453 153 R N 5.769 125.785 120.500 -0.806 0.000 2.265 153 R HA 0.472 4.808 4.340 -0.008 0.000 0.328 153 R C -1.302 174.159 176.300 -1.399 0.000 0.969 153 R CA -0.416 55.140 56.100 -0.907 0.000 0.832 153 R CB 0.475 30.312 30.300 -0.771 0.000 1.139 153 R HN 0.528 nan 8.270 nan 0.000 0.457 154 C N 4.613 123.025 119.300 -1.480 0.000 2.355 154 C HA 0.496 4.952 4.460 -0.008 0.000 0.332 154 C C 0.427 174.732 174.990 -1.142 0.000 1.255 154 C CA -0.382 57.789 59.018 -1.411 0.000 1.792 154 C CB 0.362 27.256 27.740 -1.410 0.000 2.300 154 C HN 1.048 nan 8.230 nan 0.000 0.515 155 H N 3.733 122.501 119.070 -0.503 0.000 2.885 155 H HA 0.275 4.826 4.556 -0.008 0.000 0.260 155 H C 0.881 176.110 175.328 -0.165 0.000 0.985 155 H CA 0.305 56.106 56.048 -0.412 0.000 1.210 155 H CB 0.093 29.834 29.762 -0.035 0.000 1.466 155 H HN 0.737 nan 8.280 nan 0.000 0.493 156 I N -1.306 119.222 120.570 -0.069 0.000 3.640 156 I HA 0.348 4.514 4.170 -0.008 0.000 0.288 156 I C -0.377 175.567 176.117 -0.287 0.000 1.248 156 I CA -0.971 60.263 61.300 -0.110 0.000 0.911 156 I CB 1.037 38.915 38.000 -0.204 0.000 1.533 156 I HN -0.141 nan 8.210 nan 0.000 0.686 157 D N 1.292 121.357 120.400 -0.559 0.000 2.349 157 D HA 0.406 5.042 4.640 -0.008 0.000 0.232 157 D C -0.752 175.278 176.300 -0.450 0.000 1.071 157 D CA -0.396 53.038 54.000 -0.943 0.000 0.832 157 D CB 1.112 41.035 40.800 -1.461 0.000 1.086 157 D HN 0.570 nan 8.370 nan 0.000 0.504 158 L N 3.848 124.896 121.223 -0.291 0.000 2.959 158 L HA 0.202 4.537 4.340 -0.008 0.000 0.236 158 L C 1.197 177.860 176.870 -0.345 0.000 1.296 158 L CA -0.259 54.403 54.840 -0.297 0.000 1.047 158 L CB 0.230 42.115 42.059 -0.290 0.000 1.395 158 L HN 0.449 nan 8.230 nan 0.000 0.492 159 S N -2.508 113.023 115.700 -0.282 0.000 2.492 159 S HA 0.048 4.513 4.470 -0.008 0.000 0.218 159 S C 0.904 175.383 174.600 -0.203 0.000 1.016 159 S CA -0.018 58.049 58.200 -0.222 0.000 0.916 159 S CB 0.469 63.584 63.200 -0.141 0.000 0.791 159 S HN 0.294 nan 8.310 nan 0.000 0.513 160 S N 2.768 118.345 115.700 -0.205 0.000 2.777 160 S HA 0.379 4.845 4.470 -0.008 0.000 0.140 160 S C -3.107 171.407 174.600 -0.144 0.000 1.233 160 S CA -0.892 57.214 58.200 -0.157 0.000 1.157 160 S CB 0.866 63.995 63.200 -0.119 0.000 1.600 160 S HN 0.333 nan 8.310 nan 0.000 0.432 161 P HA 0.269 nan 4.420 nan 0.000 0.279 161 P C -0.552 176.750 177.300 0.004 0.000 1.252 161 P CA -0.586 62.463 63.100 -0.085 0.000 0.811 161 P CB 0.494 32.145 31.700 -0.081 0.000 1.035 162 N N 1.064 119.766 118.700 0.004 0.000 2.418 162 N HA -0.074 4.661 4.740 -0.008 0.000 0.277 162 N C 1.655 177.292 175.510 0.213 0.000 1.317 162 N CA -0.216 52.867 53.050 0.055 0.000 0.922 162 N CB 0.246 38.686 38.487 -0.077 0.000 1.194 162 N HN 0.319 nan 8.380 nan 0.000 0.485 163 R N 3.454 124.059 120.500 0.175 0.000 2.133 163 R HA -0.313 4.023 4.340 -0.008 0.000 0.245 163 R C 1.586 178.020 176.300 0.223 0.000 1.137 163 R CA 2.506 58.731 56.100 0.208 0.000 0.947 163 R CB -0.291 30.086 30.300 0.129 0.000 0.865 163 R HN 0.851 nan 8.270 nan 0.000 0.437 164 E N -0.918 119.394 120.200 0.187 0.000 2.267 164 E HA -0.212 4.134 4.350 -0.008 0.000 0.197 164 E C 1.595 178.233 176.600 0.063 0.000 0.998 164 E CA 1.203 57.656 56.400 0.088 0.000 0.830 164 E CB -0.307 29.399 29.700 0.011 0.000 0.751 164 E HN 0.415 nan 8.360 nan 0.000 0.491 165 F N 0.299 120.282 119.950 0.054 0.000 2.220 165 F HA 0.063 4.586 4.527 -0.007 0.000 0.290 165 F C 2.336 178.278 175.800 0.237 0.000 1.080 165 F CA 0.764 58.813 58.000 0.081 0.000 1.318 165 F CB -0.661 38.331 39.000 -0.013 0.000 1.063 165 F HN 0.124 nan 8.300 nan 0.000 0.498 166 W N 1.948 123.403 121.300 0.257 0.000 2.335 166 W HA -0.217 4.438 4.660 -0.008 0.000 0.311 166 W C 1.694 178.265 176.519 0.087 0.000 1.213 166 W CA 1.932 59.367 57.345 0.150 0.000 1.274 166 W CB -0.262 29.248 29.460 0.083 0.000 1.148 166 W HN 0.134 nan 8.180 nan 0.000 0.498 167 E N -0.349 119.789 120.200 -0.105 0.000 2.209 167 E HA -0.264 4.081 4.350 -0.008 0.000 0.196 167 E C 1.876 178.317 176.600 -0.264 0.000 0.993 167 E CA 1.556 57.800 56.400 -0.261 0.000 0.819 167 E CB -0.639 29.029 29.700 -0.053 0.000 0.745 167 E HN 0.279 nan 8.360 nan 0.000 0.477 168 F N 0.987 120.782 119.950 -0.258 0.000 2.187 168 F HA -0.045 4.477 4.527 -0.008 0.000 0.295 168 F C 1.981 177.581 175.800 -0.334 0.000 1.091 168 F CA 0.646 58.511 58.000 -0.225 0.000 1.308 168 F CB -0.236 38.732 39.000 -0.054 0.000 1.030 168 F HN -0.068 nan 8.300 nan 0.000 0.487 169 L N 1.560 122.543 121.223 -0.400 0.000 2.027 169 L HA -0.112 4.223 4.340 -0.008 0.000 0.206 169 L C 2.736 179.138 176.870 -0.780 0.000 1.074 169 L CA 2.067 56.656 54.840 -0.417 0.000 0.745 169 L CB -0.838 41.176 42.059 -0.074 0.000 0.898 169 L HN 0.258 nan 8.230 nan 0.000 0.433 170 R N -0.632 119.117 120.500 -1.252 0.000 2.170 170 R HA -0.248 4.088 4.340 -0.008 0.000 0.242 170 R C 2.256 178.136 176.300 -0.701 0.000 1.145 170 R CA 1.829 57.238 56.100 -1.152 0.000 0.984 170 R CB -0.884 28.637 30.300 -1.299 0.000 0.869 170 R HN 0.293 nan 8.270 nan 0.000 0.455 171 R N -0.267 119.735 120.500 -0.829 0.000 2.159 171 R HA -0.121 4.214 4.340 -0.008 0.000 0.237 171 R C 0.902 176.800 176.300 -0.670 0.000 1.131 171 R CA 1.741 57.376 56.100 -0.774 0.000 0.982 171 R CB -0.068 29.627 30.300 -1.009 0.000 0.868 171 R HN 0.325 nan 8.270 nan 0.000 0.453 172 F N -1.817 117.969 119.950 -0.273 0.000 2.315 172 F HA 0.048 4.571 4.527 -0.008 0.000 0.284 172 F C 2.170 177.960 175.800 -0.018 0.000 1.049 172 F CA 0.057 57.983 58.000 -0.123 0.000 1.323 172 F CB -0.921 38.027 39.000 -0.087 0.000 1.113 172 F HN -0.281 nan 8.300 nan 0.000 0.544 173 V N 0.772 120.635 119.914 -0.085 0.000 2.324 173 V HA -0.297 3.818 4.120 -0.008 0.000 0.250 173 V C 2.043 178.234 176.094 0.162 0.000 1.060 173 V CA 2.090 64.268 62.300 -0.203 0.000 1.042 173 V CB -0.739 30.684 31.823 -0.667 0.000 0.650 173 V HN 0.360 nan 8.190 nan 0.000 0.450 174 E N -0.358 119.842 120.200 0.000 0.000 2.393 174 E HA -0.248 4.098 4.350 -0.008 0.000 0.201 174 E C 2.139 178.888 176.600 0.248 0.000 1.025 174 E CA 0.947 57.425 56.400 0.128 0.000 0.856 174 E CB -0.104 29.582 29.700 -0.023 0.000 0.771 174 E HN 0.641 nan 8.360 nan 0.000 0.526 175 K N 0.033 120.564 120.400 0.218 0.000 2.044 175 K HA -0.034 4.281 4.320 -0.008 0.000 0.204 175 K C 0.365 177.053 176.600 0.147 0.000 1.045 175 K CA 0.301 56.648 56.287 0.100 0.000 0.951 175 K CB -0.242 32.222 32.500 -0.059 0.000 0.738 175 K HN 0.012 nan 8.250 nan 0.000 0.443 176 Y N 2.684 123.089 120.300 0.175 0.000 3.073 176 Y HA -0.195 4.351 4.550 -0.007 0.000 0.344 176 Y C 1.071 176.989 175.900 0.030 0.000 1.277 176 Y CA 0.545 58.762 58.100 0.194 0.000 1.534 176 Y CB -0.008 38.648 38.460 0.326 0.000 1.273 176 Y HN 0.194 nan 8.280 nan 0.000 0.633 177 D N 0.561 121.045 120.400 0.141 0.000 2.224 177 D HA -0.027 4.609 4.640 -0.008 0.000 0.205 177 D C 0.263 176.476 176.300 -0.144 0.000 0.965 177 D CA 1.232 55.228 54.000 -0.008 0.000 0.852 177 D CB 0.225 41.037 40.800 0.020 0.000 0.947 177 D HN 0.220 nan 8.370 nan 0.000 0.494 178 R N -0.392 120.034 120.500 -0.124 0.000 2.668 178 R HA 0.362 4.697 4.340 -0.008 0.000 0.272 178 R C -1.515 174.710 176.300 -0.125 0.000 1.019 178 R CA -0.720 55.244 56.100 -0.227 0.000 0.894 178 R CB 1.052 31.337 30.300 -0.026 0.000 1.228 178 R HN 0.076 nan 8.270 nan 0.000 0.460 179 Y N 1.918 122.360 120.300 0.237 0.000 2.331 179 Y HA 0.570 5.115 4.550 -0.008 0.000 0.334 179 Y C 0.495 176.443 175.900 0.080 0.000 0.960 179 Y CA -0.897 57.343 58.100 0.233 0.000 1.130 179 Y CB 1.827 40.579 38.460 0.488 0.000 1.164 179 Y HN 0.279 nan 8.280 nan 0.000 0.458 180 I N 4.570 125.080 120.570 -0.100 0.000 2.362 180 I HA 0.381 4.546 4.170 -0.008 0.000 0.289 180 I C -1.029 174.764 176.117 -0.539 0.000 0.994 180 I CA -0.479 60.716 61.300 -0.174 0.000 1.158 180 I CB 0.830 38.745 38.000 -0.141 0.000 1.315 180 I HN 0.419 nan 8.210 nan 0.000 0.451 181 F N 3.566 123.469 119.950 -0.077 0.000 2.538 181 F HA 0.418 4.940 4.527 -0.008 0.000 0.325 181 F C 1.382 177.132 175.800 -0.084 0.000 1.066 181 F CA -0.631 57.297 58.000 -0.119 0.000 0.946 181 F CB 0.897 39.888 39.000 -0.015 0.000 1.199 181 F HN 0.378 nan 8.300 nan 0.000 0.473 182 H N 1.407 120.502 119.070 0.041 0.000 2.293 182 H HA 0.025 4.577 4.556 -0.007 0.000 0.300 182 H C -0.075 175.129 175.328 -0.207 0.000 1.082 182 H CA 1.595 57.555 56.048 -0.147 0.000 1.308 182 H CB -0.184 29.484 29.762 -0.157 0.000 1.375 182 H HN 0.310 nan 8.280 nan 0.000 0.495 183 L N -4.977 116.204 121.223 -0.069 0.000 2.491 183 L HA 0.405 4.740 4.340 -0.008 0.000 0.254 183 L C -2.235 174.580 176.870 -0.092 0.000 1.048 183 L CA -2.162 52.581 54.840 -0.161 0.000 0.855 183 L CB 0.788 42.702 42.059 -0.241 0.000 1.466 183 L HN -0.332 nan 8.230 nan 0.000 0.409 184 P HA -0.177 nan 4.420 nan 0.000 0.216 184 P C 0.640 177.902 177.300 -0.063 0.000 1.153 184 P CA 1.849 64.891 63.100 -0.095 0.000 0.858 184 P CB 0.058 31.699 31.700 -0.098 0.000 0.789 185 E N -2.457 117.731 120.200 -0.020 0.000 2.405 185 E HA -0.127 4.218 4.350 -0.008 0.000 0.194 185 E C 0.416 177.178 176.600 0.269 0.000 1.149 185 E CA 0.476 56.913 56.400 0.061 0.000 0.933 185 E CB -0.564 29.177 29.700 0.067 0.000 1.028 185 E HN 0.296 nan 8.360 nan 0.000 0.487 186 Y N -0.163 120.063 120.300 -0.123 0.000 2.441 186 Y HA 0.195 4.740 4.550 -0.008 0.000 0.266 186 Y C 0.779 176.468 175.900 -0.351 0.000 1.093 186 Y CA -0.955 57.081 58.100 -0.107 0.000 1.246 186 Y CB 0.658 39.154 38.460 0.060 0.000 1.262 186 Y HN -0.110 nan 8.280 nan 0.000 0.518 187 V N 1.881 121.487 119.914 -0.513 0.000 2.999 187 V HA -0.035 4.081 4.120 -0.008 0.000 0.307 187 V C 0.443 176.090 176.094 -0.746 0.000 1.084 187 V CA -0.333 61.212 62.300 -1.259 0.000 1.155 187 V CB 0.722 32.059 31.823 -0.810 0.000 0.975 187 V HN 0.107 nan 8.190 nan 0.000 0.490 188 Q N 7.295 126.645 119.800 -0.750 0.000 2.361 188 Q HA 0.216 4.551 4.340 -0.008 0.000 0.250 188 Q C -1.370 174.453 176.000 -0.295 0.000 1.023 188 Q CA -1.764 53.750 55.803 -0.481 0.000 0.915 188 Q CB 1.119 29.554 28.738 -0.505 0.000 1.238 188 Q HN 0.452 nan 8.270 nan 0.000 0.451 189 P HA -0.263 nan 4.420 nan 0.000 0.217 189 P C 0.034 177.298 177.300 -0.060 0.000 1.151 189 P CA 1.542 64.563 63.100 -0.131 0.000 0.849 189 P CB 0.405 32.037 31.700 -0.114 0.000 0.787 190 E N 0.228 120.408 120.200 -0.033 0.000 2.038 190 E HA -0.106 4.239 4.350 -0.008 0.000 0.195 190 E C 1.239 177.879 176.600 0.067 0.000 1.000 190 E CA 0.377 56.809 56.400 0.053 0.000 0.803 190 E CB -0.579 29.220 29.700 0.165 0.000 0.750 190 E HN 0.284 nan 8.360 nan 0.000 0.448 191 L N 1.993 123.257 121.223 0.069 0.000 2.503 191 L HA -0.075 4.260 4.340 -0.008 0.000 0.287 191 L C 0.527 177.478 176.870 0.136 0.000 1.252 191 L CA -0.209 54.687 54.840 0.093 0.000 0.835 191 L CB -0.116 41.938 42.059 -0.008 0.000 1.099 191 L HN 0.075 nan 8.230 nan 0.000 0.516 192 D N 0.407 120.947 120.400 0.234 0.000 2.346 192 D HA 0.051 4.686 4.640 -0.008 0.000 0.260 192 D C 0.985 177.397 176.300 0.187 0.000 1.252 192 D CA -0.053 54.061 54.000 0.189 0.000 0.895 192 D CB 0.669 41.581 40.800 0.186 0.000 1.097 192 D HN 0.280 nan 8.370 nan 0.000 0.489 193 R N 2.956 123.521 120.500 0.109 0.000 2.417 193 R HA -0.158 4.178 4.340 -0.008 0.000 0.220 193 R C 1.035 177.388 176.300 0.089 0.000 1.128 193 R CA 0.699 56.849 56.100 0.083 0.000 1.048 193 R CB -0.206 30.117 30.300 0.039 0.000 0.835 193 R HN 0.428 nan 8.270 nan 0.000 0.483 194 N N 0.899 119.657 118.700 0.097 0.000 2.432 194 N HA -0.030 4.706 4.740 -0.008 0.000 0.174 194 N C 0.765 176.313 175.510 0.064 0.000 1.037 194 N CA 0.737 53.829 53.050 0.070 0.000 0.892 194 N CB 0.430 38.950 38.487 0.054 0.000 1.049 194 N HN -0.004 nan 8.380 nan 0.000 0.442 195 K N -0.097 120.350 120.400 0.078 0.000 2.417 195 K HA 0.315 4.631 4.320 -0.008 0.000 0.196 195 K C -0.326 176.261 176.600 -0.021 0.000 1.023 195 K CA -0.151 56.113 56.287 -0.039 0.000 1.122 195 K CB 0.859 33.264 32.500 -0.159 0.000 0.850 195 K HN 0.141 nan 8.250 nan 0.000 0.521 196 A N 1.303 124.237 122.820 0.191 0.000 2.305 196 A HA 0.565 4.881 4.320 -0.008 0.000 0.322 196 A C -0.344 177.366 177.584 0.210 0.000 1.187 196 A CA -0.526 51.713 52.037 0.336 0.000 0.825 196 A CB 1.038 20.272 19.000 0.391 0.000 1.164 196 A HN -0.026 nan 8.150 nan 0.000 0.498 197 V N 3.503 123.558 119.914 0.235 0.000 2.735 197 V HA 0.465 4.581 4.120 -0.008 0.000 0.310 197 V C -0.356 175.828 176.094 0.151 0.000 1.061 197 V CA -0.660 61.724 62.300 0.139 0.000 0.913 197 V CB 1.625 33.499 31.823 0.084 0.000 1.005 197 V HN 0.782 nan 8.190 nan 0.000 0.428 201 P HA 0.293 nan 4.420 nan 0.000 0.274 201 P C -0.250 176.798 177.300 -0.420 0.000 1.237 201 P CA 0.065 62.825 63.100 -0.568 0.000 0.793 201 P CB 1.021 32.360 31.700 -0.601 0.000 0.977 202 S N 0.881 116.339 115.700 -0.404 0.000 2.677 202 S HA 0.779 5.245 4.470 -0.008 0.000 0.304 202 S C 0.098 174.596 174.600 -0.171 0.000 1.108 202 S CA -0.927 57.146 58.200 -0.213 0.000 0.944 202 S CB 0.944 63.993 63.200 -0.252 0.000 1.127 202 S HN 0.485 nan 8.310 nan 0.000 0.511 203 I N -1.088 119.410 120.570 -0.119 0.000 2.460 203 I HA 0.632 4.797 4.170 -0.008 0.000 0.298 203 I C -0.994 175.008 176.117 -0.192 0.000 0.989 203 I CA -0.637 60.580 61.300 -0.139 0.000 1.173 203 I CB 1.386 39.309 38.000 -0.128 0.000 1.338 203 I HN 0.515 nan 8.210 nan 0.000 0.456 204 D N 6.735 127.049 120.400 -0.143 0.000 2.380 204 D HA 0.352 4.987 4.640 -0.008 0.000 0.230 204 D C -1.823 174.415 176.300 -0.103 0.000 1.154 204 D CA -2.465 51.479 54.000 -0.093 0.000 0.859 204 D CB 1.735 42.523 40.800 -0.019 0.000 1.045 204 D HN 0.308 nan 8.370 nan 0.000 0.495 205 P HA -0.100 nan 4.420 nan 0.000 0.218 205 P C 1.010 178.328 177.300 0.030 0.000 1.146 205 P CA 0.993 63.979 63.100 -0.190 0.000 0.813 205 P CB 0.221 31.802 31.700 -0.198 0.000 0.778 206 L N -1.715 119.532 121.223 0.039 0.000 2.628 206 L HA 0.127 4.462 4.340 -0.008 0.000 0.229 206 L C 1.180 178.058 176.870 0.015 0.000 1.137 206 L CA -0.181 54.656 54.840 -0.004 0.000 0.909 206 L CB -0.481 41.512 42.059 -0.109 0.000 1.137 206 L HN 0.010 nan 8.230 nan 0.000 0.470 207 S N -1.429 114.285 115.700 0.024 0.000 2.614 207 S HA 0.097 4.563 4.470 -0.008 0.000 0.265 207 S C 1.156 175.774 174.600 0.031 0.000 1.303 207 S CA -0.620 57.594 58.200 0.023 0.000 1.000 207 S CB 1.551 64.758 63.200 0.013 0.000 0.935 207 S HN 0.092 nan 8.310 nan 0.000 0.551 208 E N 0.847 121.065 120.200 0.030 0.000 2.085 208 E HA -0.182 4.164 4.350 -0.008 0.000 0.194 208 E C 1.767 178.389 176.600 0.037 0.000 0.994 208 E CA 1.423 57.842 56.400 0.031 0.000 0.801 208 E CB -0.289 29.430 29.700 0.032 0.000 0.743 208 E HN 0.766 nan 8.360 nan 0.000 0.453 209 K N 0.611 121.034 120.400 0.039 0.000 2.147 209 K HA -0.075 4.241 4.320 -0.008 0.000 0.205 209 K C 1.343 177.985 176.600 0.069 0.000 1.049 209 K CA 1.304 57.617 56.287 0.044 0.000 0.936 209 K CB 0.166 32.688 32.500 0.037 0.000 0.722 209 K HN 0.033 nan 8.250 nan 0.000 0.446 210 N N -0.544 118.207 118.700 0.084 0.000 2.257 210 N HA -0.001 4.735 4.740 -0.008 0.000 0.200 210 N C -0.229 175.413 175.510 0.219 0.000 1.163 210 N CA 0.057 53.208 53.050 0.168 0.000 0.891 210 N CB 0.446 38.999 38.487 0.110 0.000 1.067 210 N HN 0.043 nan 8.380 nan 0.000 0.497 211 V N 1.913 121.906 119.914 0.132 0.000 2.999 211 V HA 0.006 4.122 4.120 -0.008 0.000 0.307 211 V C 0.469 176.624 176.094 0.102 0.000 1.084 211 V CA -0.306 62.068 62.300 0.124 0.000 1.155 211 V CB 0.943 32.803 31.823 0.061 0.000 0.975 211 V HN 0.177 nan 8.190 nan 0.000 0.490 212 E N 4.859 125.110 120.200 0.085 0.000 2.180 212 E HA 0.316 4.661 4.350 -0.008 0.000 0.283 212 E C -0.528 176.085 176.600 0.021 0.000 1.061 212 E CA -0.400 56.025 56.400 0.041 0.000 0.861 212 E CB 0.596 30.307 29.700 0.019 0.000 1.056 212 E HN 0.678 nan 8.360 nan 0.000 0.407 213 L N 3.611 124.841 121.223 0.011 0.000 2.468 213 L HA 0.314 4.650 4.340 -0.008 0.000 0.254 213 L C 0.644 177.513 176.870 -0.001 0.000 1.171 213 L CA -0.595 54.246 54.840 0.003 0.000 0.809 213 L CB 0.453 42.509 42.059 -0.006 0.000 1.155 213 L HN 0.410 nan 8.230 nan 0.000 0.473 214 K N 0.493 120.892 120.400 -0.001 0.000 2.218 214 K HA 0.055 4.370 4.320 -0.008 0.000 0.276 214 K C 0.481 177.081 176.600 -0.000 0.000 1.022 214 K CA -0.404 55.883 56.287 -0.001 0.000 0.946 214 K CB 1.267 33.767 32.500 0.001 0.000 1.000 214 K HN 0.381 nan 8.250 nan 0.000 0.468 215 Q N 1.609 121.409 119.800 -0.000 0.000 2.096 215 Q HA -0.242 4.093 4.340 -0.008 0.000 0.208 215 Q C 1.781 177.785 176.000 0.008 0.000 0.993 215 Q CA 2.927 58.731 55.803 0.003 0.000 0.862 215 Q CB -0.559 28.180 28.738 0.003 0.000 0.915 215 Q HN 0.925 nan 8.270 nan 0.000 0.416 216 T N -1.919 112.639 114.554 0.007 0.000 2.665 216 T HA -0.269 4.077 4.350 -0.008 0.000 0.268 216 T C 1.723 176.431 174.700 0.013 0.000 1.035 216 T CA 1.629 63.735 62.100 0.010 0.000 1.151 216 T CB -0.585 68.288 68.868 0.008 0.000 0.862 216 T HN 0.544 nan 8.240 nan 0.000 0.438 217 E N 0.640 120.845 120.200 0.009 0.000 2.110 217 E HA -0.079 4.266 4.350 -0.008 0.000 0.193 217 E C 2.235 178.839 176.600 0.006 0.000 0.988 217 E CA 1.064 57.469 56.400 0.008 0.000 0.804 217 E CB -0.279 29.423 29.700 0.003 0.000 0.745 217 E HN 0.672 nan 8.360 nan 0.000 0.458 218 I N 0.850 121.421 120.570 0.002 0.000 2.202 218 I HA -0.291 3.874 4.170 -0.008 0.000 0.242 218 I C 2.363 178.497 176.117 0.028 0.000 1.091 218 I CA 0.856 62.156 61.300 -0.001 0.000 1.368 218 I CB -0.233 37.768 38.000 0.001 0.000 1.058 218 I HN 0.206 nan 8.210 nan 0.000 0.410 219 L N 0.123 121.366 121.223 0.033 0.000 2.127 219 L HA -0.226 4.109 4.340 -0.008 0.000 0.211 219 L C 2.726 179.631 176.870 0.060 0.000 1.089 219 L CA 1.278 56.147 54.840 0.048 0.000 0.757 219 L CB -0.607 41.473 42.059 0.035 0.000 0.899 219 L HN 0.222 nan 8.230 nan 0.000 0.434 220 R N 0.480 121.009 120.500 0.049 0.000 2.062 220 R HA -0.114 4.222 4.340 -0.008 0.000 0.231 220 R C 2.328 178.682 176.300 0.091 0.000 1.136 220 R CA 1.462 57.594 56.100 0.053 0.000 0.948 220 R CB -0.211 30.111 30.300 0.037 0.000 0.845 220 R HN 0.216 nan 8.270 nan 0.000 0.430 221 I N 0.810 121.439 120.570 0.099 0.000 2.208 221 I HA -0.330 3.835 4.170 -0.008 0.000 0.245 221 I C 2.060 178.380 176.117 0.338 0.000 1.097 221 I CA 1.264 62.674 61.300 0.184 0.000 1.363 221 I CB -0.292 37.708 38.000 0.001 0.000 1.051 221 I HN 0.246 nan 8.210 nan 0.000 0.413 222 L N 0.148 121.510 121.223 0.232 0.000 2.046 222 L HA -0.196 4.139 4.340 -0.008 0.000 0.208 222 L C 2.680 179.709 176.870 0.264 0.000 1.077 222 L CA 1.271 56.286 54.840 0.291 0.000 0.747 222 L CB -0.771 41.398 42.059 0.184 0.000 0.896 222 L HN 0.274 nan 8.230 nan 0.000 0.432 223 E N 0.187 120.487 120.200 0.166 0.000 2.106 223 E HA -0.211 4.134 4.350 -0.008 0.000 0.192 223 E C 2.097 178.745 176.600 0.080 0.000 0.984 223 E CA 0.841 57.305 56.400 0.107 0.000 0.806 223 E CB -0.406 29.330 29.700 0.061 0.000 0.750 223 E HN 0.355 nan 8.360 nan 0.000 0.458 224 R N -0.310 120.228 120.500 0.063 0.000 2.303 224 R HA -0.076 4.259 4.340 -0.008 0.000 0.225 224 R C 0.549 176.645 176.300 -0.339 0.000 1.114 224 R CA 0.808 56.824 56.100 -0.140 0.000 1.007 224 R CB -0.074 30.117 30.300 -0.183 0.000 0.861 224 R HN 0.073 nan 8.270 nan 0.000 0.471 225 F N -0.295 119.735 119.950 0.133 0.000 2.791 225 F HA 0.203 4.727 4.527 -0.004 0.000 0.316 225 F C -0.222 175.631 175.800 0.089 0.000 1.134 225 F CA -0.593 57.489 58.000 0.136 0.000 1.222 225 F CB 0.591 39.733 39.000 0.238 0.000 1.034 225 F HN -0.011 nan 8.300 nan 0.000 0.516 226 D N 1.466 121.976 120.400 0.183 0.000 2.697 226 D HA -0.174 4.462 4.640 -0.008 0.000 0.238 226 D C -1.117 175.264 176.300 0.134 0.000 1.152 226 D CA 0.361 54.438 54.000 0.127 0.000 0.666 226 D CB -0.743 40.118 40.800 0.103 0.000 1.037 226 D HN 0.040 nan 8.370 nan 0.000 0.423 227 V N 1.535 121.544 119.914 0.159 0.000 2.409 227 V HA 0.357 4.473 4.120 -0.008 0.000 0.291 227 V C 0.157 176.316 176.094 0.109 0.000 1.020 227 V CA -0.812 61.565 62.300 0.128 0.000 0.848 227 V CB 1.825 33.752 31.823 0.173 0.000 0.990 227 V HN 0.247 nan 8.190 nan 0.000 0.430 228 D N 7.541 127.989 120.400 0.080 0.000 2.313 228 D HA 0.330 4.965 4.640 -0.008 0.000 0.239 228 D C -1.368 174.969 176.300 0.062 0.000 1.142 228 D CA -2.093 51.947 54.000 0.066 0.000 0.847 228 D CB 2.202 43.034 40.800 0.054 0.000 1.082 228 D HN 0.257 nan 8.370 nan 0.000 0.480 229 P HA -0.016 nan 4.420 nan 0.000 0.241 229 P C 0.434 177.757 177.300 0.039 0.000 1.191 229 P CA 0.380 63.512 63.100 0.054 0.000 0.771 229 P CB 0.724 32.457 31.700 0.054 0.000 0.929 230 E N 0.376 120.597 120.200 0.035 0.000 2.318 230 E HA 0.069 4.414 4.350 -0.008 0.000 0.193 230 E C 0.644 177.258 176.600 0.024 0.000 0.998 230 E CA 0.615 57.031 56.400 0.026 0.000 0.859 230 E CB 0.038 29.751 29.700 0.023 0.000 0.812 230 E HN 0.430 nan 8.360 nan 0.000 0.492 231 K N 0.990 121.409 120.400 0.032 0.000 2.123 231 K HA 0.379 4.695 4.320 -0.008 0.000 0.248 231 K C -2.585 174.035 176.600 0.034 0.000 0.969 231 K CA -2.179 54.127 56.287 0.031 0.000 0.882 231 K CB 0.867 33.391 32.500 0.039 0.000 1.080 231 K HN -0.206 nan 8.250 nan 0.000 0.441 232 P HA 0.099 nan 4.420 nan 0.000 0.269 232 P C -0.847 176.482 177.300 0.048 0.000 1.209 232 P CA 0.229 63.349 63.100 0.034 0.000 0.776 232 P CB 0.446 32.162 31.700 0.027 0.000 0.876 233 I N 3.458 124.054 120.570 0.044 0.000 2.499 233 I HA 0.426 4.591 4.170 -0.008 0.000 0.288 233 I C 0.081 176.222 176.117 0.041 0.000 1.048 233 I CA -0.921 60.405 61.300 0.043 0.000 1.062 233 I CB 1.532 39.557 38.000 0.041 0.000 1.238 233 I HN 0.228 nan 8.210 nan 0.000 0.426 234 I N 2.002 122.596 120.570 0.039 0.000 2.530 234 I HA 0.788 4.953 4.170 -0.008 0.000 0.297 234 I C -0.817 175.302 176.117 0.004 0.000 1.011 234 I CA -0.290 61.032 61.300 0.037 0.000 1.107 234 I CB 2.311 40.349 38.000 0.063 0.000 1.285 234 I HN 0.379 nan 8.210 nan 0.000 0.436 235 T N 4.014 118.570 114.554 0.004 0.000 2.916 235 T HA 0.367 4.712 4.350 -0.008 0.000 0.305 235 T C -1.180 173.508 174.700 -0.020 0.000 1.119 235 T CA -0.569 61.519 62.100 -0.020 0.000 1.008 235 T CB 2.113 70.979 68.868 -0.003 0.000 1.129 235 T HN 0.744 nan 8.240 nan 0.000 0.480 236 Q N 2.172 121.945 119.800 -0.046 0.000 2.294 236 Q HA 0.623 4.958 4.340 -0.008 0.000 0.264 236 Q C -1.354 174.596 176.000 -0.084 0.000 0.992 236 Q CA -0.676 55.093 55.803 -0.055 0.000 0.747 236 Q CB 1.767 30.469 28.738 -0.061 0.000 1.262 236 Q HN 0.591 nan 8.270 nan 0.000 0.452 237 V N 2.751 122.627 119.914 -0.065 0.000 2.394 237 V HA 0.925 5.040 4.120 -0.008 0.000 0.282 237 V C -1.116 174.913 176.094 -0.108 0.000 1.031 237 V CA 0.377 62.635 62.300 -0.070 0.000 0.881 237 V CB 1.318 33.137 31.823 -0.006 0.000 0.982 237 V HN 0.755 nan 8.190 nan 0.000 0.451 238 S N 5.928 121.518 115.700 -0.184 0.000 2.565 238 S HA 0.485 4.951 4.470 -0.008 0.000 0.274 238 S C -0.644 173.777 174.600 -0.298 0.000 1.144 238 S CA -0.774 57.303 58.200 -0.203 0.000 0.849 238 S CB 1.588 64.663 63.200 -0.208 0.000 1.103 238 S HN 1.398 nan 8.310 nan 0.000 0.455 239 R N 1.373 121.761 120.500 -0.186 0.000 2.643 239 R HA 0.326 4.661 4.340 -0.008 0.000 0.270 239 R C -1.108 175.060 176.300 -0.220 0.000 1.061 239 R CA -0.048 55.971 56.100 -0.135 0.000 1.107 239 R CB -0.206 30.047 30.300 -0.077 0.000 0.999 239 R HN 0.432 nan 8.270 nan 0.000 0.460 240 F N 2.435 122.325 119.950 -0.100 0.000 2.434 240 F HA 0.176 4.698 4.527 -0.008 0.000 0.358 240 F C 0.156 175.870 175.800 -0.142 0.000 1.136 240 F CA 0.293 58.286 58.000 -0.012 0.000 1.157 240 F CB 0.413 39.486 39.000 0.122 0.000 1.167 240 F HN 0.778 nan 8.300 nan 0.000 0.539 241 D N 3.849 124.060 120.400 -0.316 0.000 2.622 241 D HA 0.287 4.923 4.640 -0.008 0.000 0.255 241 D C -2.577 172.795 176.300 -1.547 0.000 1.246 241 D CA -1.742 51.812 54.000 -0.745 0.000 0.795 241 D CB 1.918 42.489 40.800 -0.382 0.000 1.369 241 D HN 0.053 nan 8.370 nan 0.000 0.425 242 P HA -0.009 nan 4.420 nan 0.000 0.225 242 P C 0.065 176.457 177.300 -1.514 0.000 1.148 242 P CA 0.976 62.914 63.100 -1.938 0.000 0.779 242 P CB 0.003 30.611 31.700 -1.821 0.000 0.780 243 W N -0.075 121.026 121.300 -0.330 0.000 2.764 243 W HA 0.319 4.975 4.660 -0.007 0.000 0.427 243 W C 1.188 177.618 176.519 -0.148 0.000 0.896 243 W CA -0.627 56.607 57.345 -0.185 0.000 2.307 243 W CB 0.460 29.840 29.460 -0.132 0.000 1.192 243 W HN -0.250 nan 8.180 nan 0.000 0.731 244 K N 0.141 120.475 120.400 -0.110 0.000 2.387 244 K HA 0.232 4.547 4.320 -0.008 0.000 0.203 244 K C 1.402 177.982 176.600 -0.033 0.000 1.030 244 K CA 0.369 56.612 56.287 -0.074 0.000 1.099 244 K CB 0.739 33.146 32.500 -0.155 0.000 0.863 244 K HN 0.246 nan 8.250 nan 0.000 0.529 245 G N 2.181 110.981 108.800 0.001 0.000 2.168 245 G HA2 -0.299 3.657 3.960 -0.008 0.000 0.257 245 G HA3 -0.299 3.657 3.960 -0.008 0.000 0.257 245 G C 0.998 175.958 174.900 0.100 0.000 0.997 245 G CA 0.563 45.697 45.100 0.057 0.000 0.708 245 G HN 0.353 nan 8.290 nan 0.000 0.520 246 I N -0.763 119.885 120.570 0.130 0.000 2.208 246 I HA -0.171 3.994 4.170 -0.008 0.000 0.245 246 I C 2.436 178.778 176.117 0.375 0.000 1.097 246 I CA 1.503 62.942 61.300 0.232 0.000 1.363 246 I CB -0.320 37.892 38.000 0.354 0.000 1.051 246 I HN 0.214 nan 8.210 nan 0.000 0.413 247 F N 0.860 120.859 119.950 0.082 0.000 2.325 247 F HA -0.154 4.369 4.527 -0.007 0.000 0.299 247 F C 2.221 178.048 175.800 0.045 0.000 1.090 247 F CA 0.850 58.880 58.000 0.052 0.000 1.392 247 F CB -0.811 38.221 39.000 0.054 0.000 1.053 247 F HN 0.141 nan 8.300 nan 0.000 0.521 248 D N -0.330 120.212 120.400 0.237 0.000 2.123 248 D HA -0.091 4.544 4.640 -0.008 0.000 0.200 248 D C 2.595 178.960 176.300 0.108 0.000 0.976 248 D CA 0.912 54.998 54.000 0.143 0.000 0.831 248 D CB -0.538 40.329 40.800 0.112 0.000 0.974 248 D HN 0.083 nan 8.370 nan 0.000 0.469 249 V N 1.586 121.560 119.914 0.101 0.000 2.332 249 V HA -0.222 3.893 4.120 -0.008 0.000 0.248 249 V C 2.535 178.683 176.094 0.089 0.000 1.055 249 V CA 1.093 63.438 62.300 0.075 0.000 1.038 249 V CB -0.334 31.515 31.823 0.043 0.000 0.651 249 V HN 0.190 nan 8.190 nan 0.000 0.450 250 I N -0.168 120.446 120.570 0.073 0.000 2.163 250 I HA -0.289 3.876 4.170 -0.008 0.000 0.243 250 I C 2.607 178.801 176.117 0.129 0.000 1.085 250 I CA 2.078 63.421 61.300 0.071 0.000 1.347 250 I CB -0.395 37.575 38.000 -0.051 0.000 1.044 250 I HN 0.431 nan 8.210 nan 0.000 0.408 251 E N 1.451 121.699 120.200 0.080 0.000 2.110 251 E HA -0.221 4.125 4.350 -0.008 0.000 0.193 251 E C 2.317 178.950 176.600 0.054 0.000 0.988 251 E CA 1.246 57.681 56.400 0.058 0.000 0.804 251 E CB 0.013 29.747 29.700 0.056 0.000 0.745 251 E HN 0.479 nan 8.360 nan 0.000 0.458 252 I N 0.429 121.043 120.570 0.074 0.000 2.226 252 I HA -0.266 3.899 4.170 -0.008 0.000 0.245 252 I C 2.484 178.644 176.117 0.072 0.000 1.100 252 I CA 1.226 62.562 61.300 0.060 0.000 1.374 252 I CB -0.556 37.484 38.000 0.066 0.000 1.057 252 I HN 0.259 nan 8.210 nan 0.000 0.413 253 Y N 2.334 122.626 120.300 -0.013 0.000 2.128 253 Y HA -0.263 4.282 4.550 -0.009 0.000 0.284 253 Y C 2.707 178.594 175.900 -0.022 0.000 1.154 253 Y CA 1.536 59.624 58.100 -0.019 0.000 1.149 253 Y CB -0.430 38.013 38.460 -0.028 0.000 0.976 253 Y HN -0.051 nan 8.280 nan 0.000 0.505 254 R N 0.085 120.440 120.500 -0.242 0.000 2.073 254 R HA -0.162 4.173 4.340 -0.008 0.000 0.234 254 R C 2.248 178.406 176.300 -0.237 0.000 1.134 254 R CA 1.745 57.639 56.100 -0.344 0.000 0.952 254 R CB -0.298 29.934 30.300 -0.113 0.000 0.850 254 R HN 0.179 nan 8.270 nan 0.000 0.433 255 K N 0.365 120.691 120.400 -0.123 0.000 1.991 255 K HA -0.114 4.201 4.320 -0.008 0.000 0.212 255 K C 2.001 178.540 176.600 -0.102 0.000 1.049 255 K CA 1.321 57.557 56.287 -0.085 0.000 0.932 255 K CB -0.589 31.887 32.500 -0.041 0.000 0.717 255 K HN -0.063 nan 8.250 nan 0.000 0.441 256 V N 1.290 121.147 119.914 -0.095 0.000 2.380 256 V HA -0.291 3.824 4.120 -0.008 0.000 0.251 256 V C 2.250 178.266 176.094 -0.128 0.000 1.063 256 V CA 1.909 64.159 62.300 -0.082 0.000 1.055 256 V CB -0.431 31.368 31.823 -0.039 0.000 0.657 256 V HN 0.366 nan 8.190 nan 0.000 0.455 257 K N -0.131 120.123 120.400 -0.244 0.000 2.280 257 K HA -0.195 4.120 4.320 -0.008 0.000 0.202 257 K C 2.029 178.526 176.600 -0.171 0.000 1.047 257 K CA 1.270 57.393 56.287 -0.273 0.000 0.942 257 K CB -0.098 32.079 32.500 -0.537 0.000 0.739 257 K HN 0.580 nan 8.250 nan 0.000 0.457 258 E N 0.019 120.133 120.200 -0.144 0.000 2.265 258 E HA -0.172 4.173 4.350 -0.008 0.000 0.196 258 E C 1.355 177.913 176.600 -0.071 0.000 0.996 258 E CA 1.020 57.362 56.400 -0.096 0.000 0.832 258 E CB 0.220 29.874 29.700 -0.078 0.000 0.756 258 E HN 0.294 nan 8.360 nan 0.000 0.491 259 K N -0.403 119.956 120.400 -0.068 0.000 2.399 259 K HA 0.219 4.535 4.320 -0.008 0.000 0.196 259 K C 0.678 177.249 176.600 -0.047 0.000 1.117 259 K CA 0.219 56.476 56.287 -0.050 0.000 0.965 259 K CB 1.155 33.629 32.500 -0.042 0.000 0.983 259 K HN 0.014 nan 8.250 nan 0.000 0.531 260 I N 2.718 123.255 120.570 -0.055 0.000 2.697 260 I HA 0.159 4.325 4.170 -0.008 0.000 0.279 260 I C -2.222 173.868 176.117 -0.045 0.000 1.171 260 I CA -1.942 59.333 61.300 -0.042 0.000 1.135 260 I CB 1.412 39.393 38.000 -0.031 0.000 1.445 260 I HN -0.216 nan 8.210 nan 0.000 0.541 261 P HA -0.193 nan 4.420 nan 0.000 0.218 261 P C 1.551 178.846 177.300 -0.008 0.000 1.147 261 P CA 1.180 64.258 63.100 -0.037 0.000 0.827 261 P CB 0.264 31.949 31.700 -0.026 0.000 0.778 262 G N -1.481 107.322 108.800 0.006 0.000 3.042 262 G HA2 0.017 3.973 3.960 -0.008 0.000 0.212 262 G HA3 0.017 3.973 3.960 -0.008 0.000 0.212 262 G C 0.251 175.187 174.900 0.059 0.000 1.166 262 G CA -0.092 45.027 45.100 0.032 0.000 0.767 262 G HN 0.243 nan 8.290 nan 0.000 0.546 263 V N 0.886 120.835 119.914 0.058 0.000 2.617 263 V HA 0.139 4.254 4.120 -0.008 0.000 0.304 263 V C -0.149 176.082 176.094 0.227 0.000 1.040 263 V CA 0.399 62.763 62.300 0.108 0.000 1.149 263 V CB 0.859 32.730 31.823 0.082 0.000 0.914 263 V HN 0.463 nan 8.190 nan 0.000 0.487 264 Q N 4.692 124.592 119.800 0.166 0.000 2.266 264 Q HA 0.612 4.947 4.340 -0.008 0.000 0.261 264 Q C -1.170 174.837 176.000 0.012 0.000 0.985 264 Q CA -0.808 55.060 55.803 0.109 0.000 0.873 264 Q CB 2.388 31.152 28.738 0.043 0.000 1.306 264 Q HN 0.648 nan 8.270 nan 0.000 0.447 265 L N 2.731 123.815 121.223 -0.232 0.000 2.325 265 L HA 0.456 4.792 4.340 -0.008 0.000 0.281 265 L C -1.768 174.949 176.870 -0.255 0.000 1.004 265 L CA -0.280 54.372 54.840 -0.314 0.000 0.823 265 L CB 1.138 42.763 42.059 -0.725 0.000 1.236 265 L HN 0.547 nan 8.230 nan 0.000 0.415 266 L N 6.744 127.860 121.223 -0.180 0.000 2.276 266 L HA 0.430 4.766 4.340 -0.008 0.000 0.286 266 L C -0.708 176.065 176.870 -0.161 0.000 1.024 266 L CA -0.448 54.267 54.840 -0.207 0.000 0.826 266 L CB 1.223 43.145 42.059 -0.228 0.000 1.211 266 L HN 0.519 nan 8.230 nan 0.000 0.422 267 L N 5.184 126.328 121.223 -0.131 0.000 2.287 267 L HA 0.422 4.758 4.340 -0.008 0.000 0.280 267 L C -0.353 176.523 176.870 0.011 0.000 1.055 267 L CA -0.517 54.289 54.840 -0.057 0.000 0.863 267 L CB 1.391 43.475 42.059 0.042 0.000 1.245 267 L HN 0.318 nan 8.230 nan 0.000 0.432 268 V N 1.939 121.820 119.914 -0.054 0.000 2.532 268 V HA 0.881 4.996 4.120 -0.008 0.000 0.295 268 V C 0.512 176.623 176.094 0.028 0.000 1.041 268 V CA -0.474 61.835 62.300 0.014 0.000 0.926 268 V CB 1.641 33.472 31.823 0.012 0.000 0.992 268 V HN 0.835 nan 8.190 nan 0.000 0.457 269 G N 2.422 111.347 108.800 0.207 0.000 2.733 269 G HA2 0.600 4.555 3.960 -0.008 0.000 0.297 269 G HA3 0.600 4.555 3.960 -0.008 0.000 0.297 269 G C -1.767 173.279 174.900 0.243 0.000 1.452 269 G CA -0.340 44.888 45.100 0.214 0.000 0.940 269 G HN 0.553 nan 8.290 nan 0.000 0.547 273 H N -0.091 119.135 119.070 0.261 0.000 2.321 273 H HA -0.121 4.431 4.556 -0.007 0.000 0.300 273 H C 0.529 176.025 175.328 0.280 0.000 1.087 273 H CA 1.504 57.736 56.048 0.307 0.000 1.319 273 H CB 0.208 30.049 29.762 0.133 0.000 1.379 273 H HN 0.674 nan 8.280 nan 0.000 0.501 274 D N 0.714 121.247 120.400 0.221 0.000 2.545 274 D HA 0.005 4.640 4.640 -0.008 0.000 0.227 274 D C -0.973 175.387 176.300 0.101 0.000 1.150 274 D CA 0.159 54.216 54.000 0.095 0.000 1.046 274 D CB -0.249 40.578 40.800 0.045 0.000 1.098 274 D HN 0.315 nan 8.370 nan 0.000 0.502 275 D N 3.365 123.848 120.400 0.138 0.000 3.784 275 D HA 0.055 4.690 4.640 -0.008 0.000 0.261 275 D C -1.858 174.487 176.300 0.074 0.000 1.391 275 D CA -0.890 53.130 54.000 0.034 0.000 0.797 275 D CB 0.740 41.479 40.800 -0.102 0.000 1.391 275 D HN 0.165 nan 8.370 nan 0.000 0.734 276 P HA -0.242 nan 4.420 nan 0.000 0.217 276 P C 1.201 178.591 177.300 0.150 0.000 1.162 276 P CA 1.319 64.529 63.100 0.184 0.000 0.901 276 P CB 0.513 32.285 31.700 0.121 0.000 0.793 277 E N -0.325 119.925 120.200 0.083 0.000 2.058 277 E HA -0.146 4.200 4.350 -0.008 0.000 0.194 277 E C 2.471 179.113 176.600 0.070 0.000 0.997 277 E CA 1.396 57.840 56.400 0.072 0.000 0.801 277 E CB -0.955 28.763 29.700 0.030 0.000 0.746 277 E HN 0.341 nan 8.360 nan 0.000 0.450 278 G N 0.805 109.581 108.800 -0.041 0.000 2.514 278 G HA2 -0.267 3.688 3.960 -0.008 0.000 0.217 278 G HA3 -0.267 3.688 3.960 -0.008 0.000 0.217 278 G C 1.112 175.944 174.900 -0.113 0.000 1.198 278 G CA 0.886 45.895 45.100 -0.152 0.000 0.780 278 G HN 0.336 nan 8.290 nan 0.000 0.565 279 W N 0.226 121.586 121.300 0.100 0.000 2.374 279 W HA 0.062 4.717 4.660 -0.008 0.000 0.288 279 W C 2.466 179.100 176.519 0.191 0.000 1.218 279 W CA -0.549 56.845 57.345 0.082 0.000 1.245 279 W CB -0.076 29.398 29.460 0.023 0.000 1.126 279 W HN 0.059 nan 8.180 nan 0.000 0.545 280 I N -0.746 120.027 120.570 0.339 0.000 2.202 280 I HA -0.312 3.853 4.170 -0.008 0.000 0.242 280 I C 2.079 178.339 176.117 0.238 0.000 1.091 280 I CA 1.614 63.065 61.300 0.252 0.000 1.368 280 I CB -1.561 36.549 38.000 0.184 0.000 1.058 280 I HN 0.066 nan 8.210 nan 0.000 0.410 281 Y N 0.760 121.143 120.300 0.138 0.000 2.274 281 Y HA -0.300 4.245 4.550 -0.008 0.000 0.290 281 Y C 2.560 178.601 175.900 0.235 0.000 1.145 281 Y CA 1.420 59.602 58.100 0.137 0.000 1.203 281 Y CB -0.499 38.009 38.460 0.079 0.000 0.984 281 Y HN 0.125 nan 8.280 nan 0.000 0.533 282 F N 1.053 121.078 119.950 0.125 0.000 2.069 282 F HA -0.235 4.287 4.527 -0.009 0.000 0.298 282 F C 2.109 177.872 175.800 -0.061 0.000 1.113 282 F CA 2.303 60.229 58.000 -0.124 0.000 1.214 282 F CB -0.577 38.305 39.000 -0.197 0.000 0.978 282 F HN 0.072 nan 8.300 nan 0.000 0.474 283 E N 0.355 120.564 120.200 0.015 0.000 2.085 283 E HA -0.236 4.109 4.350 -0.008 0.000 0.194 283 E C 2.130 178.630 176.600 -0.167 0.000 0.994 283 E CA 1.532 57.850 56.400 -0.137 0.000 0.801 283 E CB -0.297 29.435 29.700 0.053 0.000 0.743 283 E HN 0.499 nan 8.360 nan 0.000 0.453 284 K N 0.243 120.575 120.400 -0.112 0.000 2.147 284 K HA -0.089 4.227 4.320 -0.008 0.000 0.205 284 K C 2.209 178.711 176.600 -0.163 0.000 1.049 284 K CA 1.351 57.567 56.287 -0.119 0.000 0.936 284 K CB -0.089 32.325 32.500 -0.144 0.000 0.722 284 K HN 0.077 nan 8.250 nan 0.000 0.446 285 T N 1.814 116.254 114.554 -0.190 0.000 2.812 285 T HA -0.051 4.294 4.350 -0.008 0.000 0.264 285 T C 1.885 176.404 174.700 -0.302 0.000 1.042 285 T CA 0.857 62.829 62.100 -0.212 0.000 1.140 285 T CB -0.109 68.762 68.868 0.005 0.000 0.870 285 T HN 0.091 nan 8.240 nan 0.000 0.445 286 L N 0.381 121.387 121.223 -0.362 0.000 2.083 286 L HA -0.067 4.268 4.340 -0.008 0.000 0.209 286 L C 2.865 179.572 176.870 -0.271 0.000 1.083 286 L CA 1.346 55.969 54.840 -0.361 0.000 0.752 286 L CB -0.399 41.386 42.059 -0.457 0.000 0.899 286 L HN 0.141 nan 8.230 nan 0.000 0.433 287 R N -0.048 120.314 120.500 -0.230 0.000 2.081 287 R HA -0.207 4.129 4.340 -0.008 0.000 0.235 287 R C 2.309 178.496 176.300 -0.188 0.000 1.131 287 R CA 1.465 57.463 56.100 -0.171 0.000 0.960 287 R CB -0.234 29.991 30.300 -0.126 0.000 0.856 287 R HN 0.095 nan 8.270 nan 0.000 0.436 288 K N 1.251 121.496 120.400 -0.260 0.000 2.097 288 K HA -0.067 4.248 4.320 -0.008 0.000 0.205 288 K C 1.723 178.159 176.600 -0.273 0.000 1.050 288 K CA 1.350 57.444 56.287 -0.323 0.000 0.938 288 K CB -0.140 31.980 32.500 -0.634 0.000 0.718 288 K HN 0.117 nan 8.250 nan 0.000 0.442 289 I N 0.047 120.453 120.570 -0.274 0.000 2.353 289 I HA -0.050 4.116 4.170 -0.008 0.000 0.248 289 I C 1.481 177.487 176.117 -0.184 0.000 1.119 289 I CA 0.726 61.889 61.300 -0.227 0.000 1.417 289 I CB -0.724 37.117 38.000 -0.265 0.000 1.078 289 I HN 0.534 nan 8.210 nan 0.000 0.421 290 G N 1.251 109.940 108.800 -0.185 0.000 2.552 290 G HA2 -0.313 3.642 3.960 -0.008 0.000 0.265 290 G HA3 -0.313 3.642 3.960 -0.008 0.000 0.265 290 G C 0.208 175.010 174.900 -0.162 0.000 1.234 290 G CA 0.099 45.118 45.100 -0.135 0.000 0.944 290 G HN 0.469 nan 8.290 nan 0.000 0.568 291 E N 1.057 121.221 120.200 -0.060 0.000 2.311 291 E HA 0.165 4.511 4.350 -0.008 0.000 0.198 291 E C -0.203 176.444 176.600 0.078 0.000 1.115 291 E CA 0.040 56.461 56.400 0.035 0.000 1.140 291 E CB 0.221 30.040 29.700 0.199 0.000 1.204 291 E HN 0.381 nan 8.360 nan 0.000 0.446 292 D N 0.214 120.571 120.400 -0.072 0.000 2.422 292 D HA -0.025 4.610 4.640 -0.008 0.000 0.227 292 D C -0.148 176.093 176.300 -0.097 0.000 1.190 292 D CA -0.372 53.634 54.000 0.009 0.000 0.905 292 D CB 0.150 40.969 40.800 0.032 0.000 1.034 292 D HN 0.101 nan 8.370 nan 0.000 0.507 293 Y N 1.516 121.817 120.300 0.001 0.000 2.502 293 Y HA 0.067 4.616 4.550 -0.002 0.000 0.295 293 Y C 1.465 177.360 175.900 -0.009 0.000 1.193 293 Y CA -0.069 58.024 58.100 -0.013 0.000 1.295 293 Y CB 0.396 38.852 38.460 -0.007 0.000 1.059 293 Y HN 0.370 nan 8.280 nan 0.000 0.514 294 D N -0.688 119.773 120.400 0.102 0.000 2.355 294 D HA 0.015 4.651 4.640 -0.008 0.000 0.218 294 D C 0.015 176.267 176.300 -0.081 0.000 1.004 294 D CA 0.510 54.559 54.000 0.081 0.000 0.880 294 D CB 0.405 41.319 40.800 0.189 0.000 0.911 294 D HN -0.047 nan 8.370 nan 0.000 0.528 295 V N 2.651 122.444 119.914 -0.202 0.000 2.383 295 V HA 0.149 4.265 4.120 -0.008 0.000 0.275 295 V C 0.184 176.136 176.094 -0.236 0.000 1.036 295 V CA -0.591 61.486 62.300 -0.370 0.000 0.889 295 V CB 1.600 33.150 31.823 -0.456 0.000 0.985 295 V HN -0.135 nan 8.190 nan 0.000 0.459 296 K N 4.491 124.768 120.400 -0.204 0.000 2.206 296 K HA 0.576 4.891 4.320 -0.008 0.000 0.264 296 K C -0.893 175.628 176.600 -0.132 0.000 0.967 296 K CA -0.646 55.554 56.287 -0.146 0.000 0.844 296 K CB 2.185 34.589 32.500 -0.160 0.000 1.099 296 K HN 0.346 nan 8.250 nan 0.000 0.441 297 V N 4.951 124.829 119.914 -0.061 0.000 2.294 297 V HA 0.307 4.422 4.120 -0.008 0.000 0.272 297 V C -0.174 175.982 176.094 0.104 0.000 1.027 297 V CA -0.758 61.573 62.300 0.051 0.000 0.823 297 V CB 0.433 32.261 31.823 0.007 0.000 1.030 297 V HN 0.523 nan 8.190 nan 0.000 0.457 298 L N 5.837 127.099 121.223 0.063 0.000 2.296 298 L HA 0.848 5.184 4.340 -0.008 0.000 0.286 298 L C 0.299 177.266 176.870 0.162 0.000 1.023 298 L CA -0.059 54.788 54.840 0.011 0.000 0.812 298 L CB 1.892 43.734 42.059 -0.362 0.000 1.223 298 L HN 0.784 nan 8.230 nan 0.000 0.421 299 T N -2.505 112.149 114.554 0.167 0.000 2.792 299 T HA 0.199 4.544 4.350 -0.008 0.000 0.303 299 T C 0.511 175.279 174.700 0.113 0.000 1.310 299 T CA -0.889 61.315 62.100 0.174 0.000 1.007 299 T CB 1.276 70.240 68.868 0.159 0.000 1.335 299 T HN 0.527 nan 8.240 nan 0.000 0.504 300 N N 0.598 119.373 118.700 0.125 0.000 2.585 300 N HA -0.044 4.691 4.740 -0.008 0.000 0.188 300 N C 1.580 177.136 175.510 0.077 0.000 1.102 300 N CA 0.455 53.554 53.050 0.082 0.000 0.920 300 N CB -0.557 38.055 38.487 0.209 0.000 0.963 300 N HN 0.639 nan 8.380 nan 0.000 0.447 301 L N 0.557 121.813 121.223 0.055 0.000 2.093 301 L HA 0.043 4.379 4.340 -0.008 0.000 0.208 301 L C 1.561 178.419 176.870 -0.021 0.000 1.085 301 L CA 1.066 55.848 54.840 -0.097 0.000 0.755 301 L CB -0.063 41.833 42.059 -0.273 0.000 0.904 301 L HN 0.243 nan 8.230 nan 0.000 0.435 302 I N -4.348 116.259 120.570 0.062 0.000 3.736 302 I HA 0.440 4.606 4.170 -0.008 0.000 0.338 302 I C 0.904 177.119 176.117 0.163 0.000 1.558 302 I CA 0.358 61.727 61.300 0.115 0.000 1.147 302 I CB 0.190 38.304 38.000 0.189 0.000 1.275 302 I HN 0.167 nan 8.210 nan 0.000 0.454 303 G N 1.203 110.032 108.800 0.048 0.000 2.175 303 G HA2 -0.215 3.741 3.960 -0.008 0.000 0.244 303 G HA3 -0.215 3.741 3.960 -0.008 0.000 0.244 303 G C 0.102 174.811 174.900 -0.319 0.000 0.982 303 G CA 0.017 45.087 45.100 -0.051 0.000 0.641 303 G HN 0.313 nan 8.290 nan 0.000 0.527 304 V N 3.456 123.235 119.914 -0.226 0.000 2.470 304 V HA 0.524 4.639 4.120 -0.008 0.000 0.276 304 V C 0.684 176.535 176.094 -0.405 0.000 1.040 304 V CA -0.190 61.974 62.300 -0.227 0.000 1.008 304 V CB 0.752 32.560 31.823 -0.024 0.000 0.990 304 V HN 0.403 nan 8.190 nan 0.000 0.477 305 H N 2.930 122.040 119.070 0.067 0.000 3.024 305 H HA 0.550 5.102 4.556 -0.007 0.000 0.305 305 H C 1.218 176.556 175.328 0.016 0.000 1.506 305 H CA -0.250 55.830 56.048 0.053 0.000 1.324 305 H CB 1.364 31.160 29.762 0.056 0.000 1.925 305 H HN 0.459 nan 8.280 nan 0.000 0.661 306 A N 0.473 123.397 122.820 0.173 0.000 1.903 306 A HA -0.268 4.047 4.320 -0.008 0.000 0.219 306 A C 2.354 179.957 177.584 0.031 0.000 1.191 306 A CA 2.559 54.645 52.037 0.082 0.000 0.638 306 A CB -0.700 18.343 19.000 0.071 0.000 0.823 306 A HN 0.686 nan 8.150 nan 0.000 0.451 307 R N -0.103 120.419 120.500 0.037 0.000 2.081 307 R HA -0.158 4.178 4.340 -0.008 0.000 0.235 307 R C 2.015 178.246 176.300 -0.116 0.000 1.131 307 R CA 1.781 57.873 56.100 -0.013 0.000 0.960 307 R CB -0.232 30.078 30.300 0.017 0.000 0.856 307 R HN 0.640 nan 8.270 nan 0.000 0.436 308 E N 0.115 120.210 120.200 -0.175 0.000 2.107 308 E HA -0.115 4.231 4.350 -0.008 0.000 0.191 308 E C 2.138 178.329 176.600 -0.683 0.000 0.982 308 E CA 1.023 57.109 56.400 -0.523 0.000 0.809 308 E CB -0.425 28.954 29.700 -0.534 0.000 0.756 308 E HN 0.248 nan 8.360 nan 0.000 0.459 309 V N 2.986 122.763 119.914 -0.228 0.000 2.343 309 V HA -0.258 3.858 4.120 -0.008 0.000 0.247 309 V C 2.456 178.518 176.094 -0.053 0.000 1.051 309 V CA 1.914 64.201 62.300 -0.022 0.000 1.036 309 V CB -0.777 31.079 31.823 0.055 0.000 0.654 309 V HN 0.278 nan 8.190 nan 0.000 0.451 310 N N 0.829 119.483 118.700 -0.076 0.000 2.061 310 N HA -0.210 4.525 4.740 -0.008 0.000 0.193 310 N C 1.816 177.284 175.510 -0.070 0.000 1.030 310 N CA 2.229 55.257 53.050 -0.037 0.000 0.856 310 N CB -0.261 38.211 38.487 -0.025 0.000 1.023 310 N HN 0.452 nan 8.380 nan 0.000 0.424 311 A N 0.321 123.023 122.820 -0.196 0.000 1.845 311 A HA -0.059 4.256 4.320 -0.008 0.000 0.215 311 A C 2.330 179.857 177.584 -0.095 0.000 1.195 311 A CA 1.274 53.190 52.037 -0.201 0.000 0.616 311 A CB -1.312 17.478 19.000 -0.350 0.000 0.832 311 A HN 0.416 nan 8.150 nan 0.000 0.443 312 F N 0.067 119.996 119.950 -0.036 0.000 2.147 312 F HA -0.317 4.203 4.527 -0.011 0.000 0.301 312 F C 2.854 178.642 175.800 -0.020 0.000 1.084 312 F CA 1.536 59.511 58.000 -0.042 0.000 1.268 312 F CB -0.303 38.649 39.000 -0.080 0.000 1.009 312 F HN 0.331 nan 8.300 nan 0.000 0.486 313 Q N 0.005 119.895 119.800 0.151 0.000 2.049 313 Q HA -0.139 4.196 4.340 -0.008 0.000 0.198 313 Q C 2.272 178.309 176.000 0.062 0.000 0.971 313 Q CA 1.080 56.938 55.803 0.092 0.000 0.833 313 Q CB -0.212 28.568 28.738 0.071 0.000 0.896 313 Q HN 0.390 nan 8.270 nan 0.000 0.434 314 R N 0.305 120.831 120.500 0.042 0.000 2.091 314 R HA -0.111 4.225 4.340 -0.008 0.000 0.238 314 R C 2.081 178.400 176.300 0.031 0.000 1.136 314 R CA 1.285 57.398 56.100 0.021 0.000 0.959 314 R CB -0.317 29.985 30.300 0.004 0.000 0.856 314 R HN 0.176 nan 8.270 nan 0.000 0.437 315 A N 0.771 123.625 122.820 0.057 0.000 2.206 315 A HA 0.042 4.357 4.320 -0.008 0.000 0.211 315 A C 0.644 178.266 177.584 0.063 0.000 1.158 315 A CA 0.195 52.271 52.037 0.066 0.000 0.761 315 A CB 0.093 19.156 19.000 0.104 0.000 0.801 315 A HN 0.129 nan 8.150 nan 0.000 0.473 316 S N 0.529 116.267 115.700 0.062 0.000 2.564 316 S HA 0.207 4.672 4.470 -0.008 0.000 0.278 316 S C 0.090 174.711 174.600 0.036 0.000 1.333 316 S CA -0.007 58.223 58.200 0.050 0.000 1.048 316 S CB 1.113 64.342 63.200 0.049 0.000 0.900 316 S HN 0.476 nan 8.310 nan 0.000 0.505 317 D N 0.558 120.978 120.400 0.034 0.000 2.262 317 D HA 0.156 4.791 4.640 -0.008 0.000 0.212 317 D C -0.139 176.182 176.300 0.035 0.000 0.964 317 D CA 0.604 54.620 54.000 0.028 0.000 0.875 317 D CB 0.327 41.142 40.800 0.024 0.000 0.996 317 D HN 0.239 nan 8.370 nan 0.000 0.497 318 V N 1.043 120.982 119.914 0.042 0.000 2.841 318 V HA 0.394 4.509 4.120 -0.008 0.000 0.310 318 V C -1.017 175.105 176.094 0.047 0.000 1.090 318 V CA -0.828 61.505 62.300 0.054 0.000 0.930 318 V CB 2.797 34.659 31.823 0.065 0.000 1.014 318 V HN -0.009 nan 8.190 nan 0.000 0.425 319 I N 4.663 125.262 120.570 0.048 0.000 2.498 319 I HA 0.521 4.686 4.170 -0.008 0.000 0.290 319 I C -0.889 175.249 176.117 0.036 0.000 1.032 319 I CA -0.507 60.813 61.300 0.034 0.000 1.073 319 I CB 2.011 40.026 38.000 0.025 0.000 1.251 319 I HN 0.342 nan 8.210 nan 0.000 0.426 320 L N 5.091 126.328 121.223 0.023 0.000 2.322 320 L HA 0.630 4.965 4.340 -0.008 0.000 0.269 320 L C -0.440 176.430 176.870 0.000 0.000 1.012 320 L CA -0.551 54.303 54.840 0.023 0.000 0.815 320 L CB 1.821 43.896 42.059 0.027 0.000 1.295 320 L HN 0.511 nan 8.230 nan 0.000 0.438 324 I N 1.391 122.013 120.570 0.087 0.000 3.081 324 I HA 0.284 4.449 4.170 -0.008 0.000 0.274 324 I C 0.566 176.711 176.117 0.047 0.000 1.178 324 I CA 0.889 62.239 61.300 0.083 0.000 1.460 324 I CB 0.255 38.352 38.000 0.162 0.000 1.137 324 I HN 0.440 nan 8.210 nan 0.000 0.443 325 R N 0.719 121.268 120.500 0.082 0.000 2.473 325 R HA 0.463 4.798 4.340 -0.008 0.000 0.303 325 R C -0.962 175.379 176.300 0.069 0.000 1.002 325 R CA -0.428 55.706 56.100 0.056 0.000 0.884 325 R CB 1.937 32.272 30.300 0.059 0.000 1.173 325 R HN -0.121 nan 8.270 nan 0.000 0.464 326 E N 1.149 121.384 120.200 0.058 0.000 2.367 326 E HA 0.522 4.868 4.350 -0.008 0.000 0.273 326 E C -0.406 176.250 176.600 0.094 0.000 0.903 326 E CA -0.554 55.877 56.400 0.051 0.000 0.764 326 E CB 1.800 31.499 29.700 -0.001 0.000 1.252 326 E HN 0.513 nan 8.360 nan 0.000 0.446 327 G N 1.319 110.187 108.800 0.114 0.000 2.975 327 G HA2 0.026 3.981 3.960 -0.008 0.000 0.159 327 G HA3 0.026 3.981 3.960 -0.008 0.000 0.159 327 G C 0.332 175.245 174.900 0.023 0.000 1.525 327 G CA -0.070 45.140 45.100 0.183 0.000 1.075 327 G HN 0.528 nan 8.290 nan 0.000 0.574 328 F N 1.336 121.218 119.950 -0.113 0.000 2.325 328 F HA 0.232 4.754 4.527 -0.008 0.000 0.299 328 F C 1.792 177.511 175.800 -0.134 0.000 1.090 328 F CA 1.146 59.044 58.000 -0.171 0.000 1.392 328 F CB -0.183 38.668 39.000 -0.248 0.000 1.053 328 F HN 0.705 nan 8.300 nan 0.000 0.521 329 G N 1.703 110.366 108.800 -0.230 0.000 2.473 329 G HA2 -0.272 3.683 3.960 -0.008 0.000 0.289 329 G HA3 -0.272 3.683 3.960 -0.008 0.000 0.289 329 G C 0.771 175.476 174.900 -0.326 0.000 1.084 329 G CA 0.312 45.246 45.100 -0.277 0.000 1.215 329 G HN 0.487 nan 8.290 nan 0.000 0.527 330 L N 0.197 121.342 121.223 -0.131 0.000 2.191 330 L HA -0.123 4.212 4.340 -0.008 0.000 0.212 330 L C 3.201 180.022 176.870 -0.082 0.000 1.103 330 L CA 2.167 56.965 54.840 -0.070 0.000 0.769 330 L CB -0.552 41.512 42.059 0.008 0.000 0.908 330 L HN 0.721 nan 8.230 nan 0.000 0.438 331 T N -3.367 111.139 114.554 -0.080 0.000 2.759 331 T HA -0.171 4.175 4.350 -0.008 0.000 0.269 331 T C 1.793 176.455 174.700 -0.064 0.000 1.042 331 T CA 1.285 63.352 62.100 -0.054 0.000 1.140 331 T CB -0.726 68.110 68.868 -0.054 0.000 0.864 331 T HN 0.120 nan 8.240 nan 0.000 0.455 332 V N 2.181 122.021 119.914 -0.123 0.000 2.358 332 V HA -0.164 3.951 4.120 -0.008 0.000 0.246 332 V C 3.010 179.042 176.094 -0.104 0.000 1.047 332 V CA 2.173 64.398 62.300 -0.125 0.000 1.035 332 V CB -1.267 30.436 31.823 -0.200 0.000 0.658 332 V HN 0.619 nan 8.190 nan 0.000 0.452 333 T N -0.015 114.452 114.554 -0.146 0.000 2.684 333 T HA -0.232 4.114 4.350 -0.008 0.000 0.267 333 T C 1.720 176.458 174.700 0.063 0.000 1.036 333 T CA 1.813 63.870 62.100 -0.071 0.000 1.148 333 T CB -0.297 68.526 68.868 -0.074 0.000 0.863 333 T HN 0.629 nan 8.240 nan 0.000 0.436 334 E N 1.659 121.891 120.200 0.054 0.000 2.077 334 E HA 0.112 4.458 4.350 -0.008 0.000 0.193 334 E C 1.520 178.209 176.600 0.148 0.000 0.989 334 E CA 0.626 57.100 56.400 0.124 0.000 0.800 334 E CB -0.244 29.502 29.700 0.075 0.000 0.746 334 E HN 0.548 nan 8.360 nan 0.000 0.452 338 K N 1.382 121.743 120.400 -0.065 0.000 2.469 338 K HA 0.263 4.578 4.320 -0.008 0.000 0.201 338 K C 1.111 177.626 176.600 -0.142 0.000 1.028 338 K CA 0.623 56.817 56.287 -0.155 0.000 1.170 338 K CB -0.123 32.362 32.500 -0.026 0.000 0.874 338 K HN 0.196 nan 8.250 nan 0.000 0.507 339 G N 2.335 111.047 108.800 -0.148 0.000 2.249 339 G HA2 -0.251 3.705 3.960 -0.008 0.000 0.273 339 G HA3 -0.251 3.705 3.960 -0.008 0.000 0.273 339 G C -0.430 174.438 174.900 -0.053 0.000 1.036 339 G CA 0.210 45.246 45.100 -0.107 0.000 0.824 339 G HN 0.103 nan 8.290 nan 0.000 0.504 340 K N 0.685 121.069 120.400 -0.027 0.000 2.206 340 K HA 0.465 4.781 4.320 -0.008 0.000 0.264 340 K C -2.279 174.322 176.600 0.003 0.000 0.967 340 K CA -2.198 54.086 56.287 -0.004 0.000 0.844 340 K CB 2.458 34.964 32.500 0.009 0.000 1.099 340 K HN 0.171 nan 8.250 nan 0.000 0.441 341 P HA 0.134 nan 4.420 nan 0.000 0.276 341 P C -0.408 176.922 177.300 0.050 0.000 1.235 341 P CA -0.350 62.764 63.100 0.024 0.000 0.772 341 P CB 0.822 32.564 31.700 0.070 0.000 0.871 342 V N 5.413 125.345 119.914 0.030 0.000 2.513 342 V HA 0.403 4.519 4.120 -0.008 0.000 0.299 342 V C 0.561 176.712 176.094 0.096 0.000 1.035 342 V CA -0.701 61.626 62.300 0.044 0.000 0.889 342 V CB 1.716 33.538 31.823 -0.001 0.000 0.988 342 V HN 0.405 nan 8.190 nan 0.000 0.440 343 I N 3.668 124.305 120.570 0.111 0.000 2.382 343 I HA 0.771 4.936 4.170 -0.008 0.000 0.286 343 I C 0.549 176.712 176.117 0.077 0.000 1.002 343 I CA 0.034 61.421 61.300 0.145 0.000 1.135 343 I CB 1.653 39.739 38.000 0.143 0.000 1.288 343 I HN 0.785 nan 8.210 nan 0.000 0.448 344 G N 5.404 114.245 108.800 0.067 0.000 2.827 344 G HA2 0.574 4.529 3.960 -0.008 0.000 0.296 344 G HA3 0.574 4.529 3.960 -0.008 0.000 0.296 344 G C -1.304 173.616 174.900 0.034 0.000 1.362 344 G CA -0.852 44.268 45.100 0.033 0.000 0.809 344 G HN 0.388 nan 8.290 nan 0.000 0.522 345 R N -0.279 120.233 120.500 0.019 0.000 2.428 345 R HA 0.533 4.869 4.340 -0.008 0.000 0.294 345 R C 0.136 176.443 176.300 0.011 0.000 1.000 345 R CA -0.429 55.684 56.100 0.021 0.000 0.960 345 R CB 1.781 32.094 30.300 0.022 0.000 1.076 345 R HN 0.549 nan 8.270 nan 0.000 0.475 346 A N 3.437 126.267 122.820 0.016 0.000 3.051 346 A HA 0.228 4.543 4.320 -0.008 0.000 0.275 346 A C 0.218 177.808 177.584 0.010 0.000 1.900 346 A CA -0.213 51.833 52.037 0.014 0.000 1.496 346 A CB -0.829 18.183 19.000 0.021 0.000 1.013 346 A HN 0.470 nan 8.150 nan 0.000 0.611 347 V N -1.630 118.285 119.914 0.001 0.000 3.130 347 V HA 0.950 5.066 4.120 -0.008 0.000 0.310 347 V C 0.829 176.917 176.094 -0.010 0.000 1.158 347 V CA -0.148 62.152 62.300 0.001 0.000 1.029 347 V CB 0.816 32.642 31.823 0.005 0.000 1.057 347 V HN 1.982 nan 8.190 nan 0.000 0.436 348 G N 2.000 110.798 108.800 -0.003 0.000 2.629 348 G HA2 -0.199 3.756 3.960 -0.008 0.000 0.335 348 G HA3 -0.199 3.756 3.960 -0.008 0.000 0.335 348 G C 1.051 175.926 174.900 -0.042 0.000 1.347 348 G CA 0.984 46.071 45.100 -0.023 0.000 0.979 348 G HN 2.349 nan 8.290 nan 0.000 0.534 349 G N -0.523 108.211 108.800 -0.109 0.000 2.679 349 G HA2 0.242 4.197 3.960 -0.008 0.000 0.212 349 G HA3 0.242 4.197 3.960 -0.008 0.000 0.212 349 G C 1.707 176.442 174.900 -0.275 0.000 1.137 349 G CA 1.054 46.024 45.100 -0.216 0.000 0.787 349 G HN 0.665 nan 8.290 nan 0.000 0.534 350 I N 0.886 121.345 120.570 -0.185 0.000 2.439 350 I HA -0.118 4.047 4.170 -0.008 0.000 0.251 350 I C 2.797 178.867 176.117 -0.078 0.000 1.139 350 I CA 1.406 62.613 61.300 -0.155 0.000 1.438 350 I CB -0.026 37.914 38.000 -0.100 0.000 1.085 350 I HN 0.281 nan 8.210 nan 0.000 0.427 351 K N 0.663 121.055 120.400 -0.014 0.000 2.167 351 K HA -0.136 4.179 4.320 -0.008 0.000 0.203 351 K C 2.195 178.849 176.600 0.090 0.000 1.052 351 K CA 1.060 57.366 56.287 0.032 0.000 0.956 351 K CB -0.486 32.043 32.500 0.049 0.000 0.735 351 K HN 0.136 nan 8.250 nan 0.000 0.451 352 F N 2.614 122.536 119.950 -0.046 0.000 2.098 352 F HA -0.015 4.507 4.527 -0.008 0.000 0.294 352 F C 2.274 178.086 175.800 0.020 0.000 1.107 352 F CA 1.358 59.367 58.000 0.015 0.000 1.234 352 F CB -0.270 38.772 39.000 0.070 0.000 1.002 352 F HN 0.009 nan 8.300 nan 0.000 0.472 353 Q N 0.202 119.874 119.800 -0.214 0.000 2.084 353 Q HA -0.050 4.285 4.340 -0.008 0.000 0.202 353 Q C 0.504 176.385 176.000 -0.198 0.000 0.978 353 Q CA 0.990 56.592 55.803 -0.335 0.000 0.844 353 Q CB -0.085 28.377 28.738 -0.460 0.000 0.898 353 Q HN 0.335 nan 8.270 nan 0.000 0.426 354 I N 1.402 121.884 120.570 -0.147 0.000 2.441 354 I HA 0.049 4.214 4.170 -0.008 0.000 0.287 354 I C -0.555 175.509 176.117 -0.088 0.000 1.049 354 I CA -0.446 60.791 61.300 -0.105 0.000 1.381 354 I CB 1.290 39.241 38.000 -0.080 0.000 1.409 354 I HN -0.139 nan 8.210 nan 0.000 0.523 355 V N 5.523 125.381 119.914 -0.093 0.000 2.294 355 V HA 0.068 4.184 4.120 -0.008 0.000 0.272 355 V C 0.040 176.073 176.094 -0.101 0.000 1.027 355 V CA -0.662 61.589 62.300 -0.080 0.000 0.823 355 V CB 0.981 32.759 31.823 -0.075 0.000 1.030 355 V HN 0.697 nan 8.190 nan 0.000 0.457 356 D N 4.317 124.676 120.400 -0.068 0.000 2.662 356 D HA 0.247 4.882 4.640 -0.008 0.000 0.233 356 D C 1.410 177.645 176.300 -0.109 0.000 1.129 356 D CA 2.166 56.127 54.000 -0.065 0.000 0.851 356 D CB 0.547 41.355 40.800 0.013 0.000 1.152 356 D HN 0.919 nan 8.370 nan 0.000 0.507 357 G N 2.976 111.616 108.800 -0.268 0.000 2.220 357 G HA2 -0.405 3.550 3.960 -0.008 0.000 0.269 357 G HA3 -0.405 3.550 3.960 -0.008 0.000 0.269 357 G C 1.002 175.755 174.900 -0.245 0.000 0.977 357 G CA 0.889 45.830 45.100 -0.265 0.000 0.634 357 G HN 0.579 nan 8.290 nan 0.000 0.539 358 E N -0.278 119.791 120.200 -0.219 0.000 2.075 358 E HA 0.162 4.507 4.350 -0.008 0.000 0.193 358 E C 2.777 179.273 176.600 -0.174 0.000 0.950 358 E CA 1.978 58.289 56.400 -0.149 0.000 0.859 358 E CB -0.101 29.540 29.700 -0.098 0.000 0.846 358 E HN 0.544 nan 8.360 nan 0.000 0.467 359 T N -2.755 111.694 114.554 -0.175 0.000 3.044 359 T HA 0.433 4.779 4.350 -0.008 0.000 0.255 359 T C 0.901 175.479 174.700 -0.205 0.000 1.073 359 T CA 0.358 62.371 62.100 -0.145 0.000 1.125 359 T CB 0.726 69.540 68.868 -0.090 0.000 0.908 359 T HN 0.233 nan 8.240 nan 0.000 0.480 360 G N -0.001 108.608 108.800 -0.318 0.000 2.570 360 G HA2 0.544 4.499 3.960 -0.008 0.000 0.310 360 G HA3 0.544 4.499 3.960 -0.008 0.000 0.310 360 G C -2.032 172.521 174.900 -0.578 0.000 1.266 360 G CA -1.147 43.723 45.100 -0.383 0.000 0.825 360 G HN 0.189 nan 8.290 nan 0.000 0.483 361 F N -0.461 119.498 119.950 0.015 0.000 2.561 361 F HA 0.745 5.267 4.527 -0.008 0.000 0.321 361 F C 0.039 175.840 175.800 0.001 0.000 1.065 361 F CA -0.811 57.195 58.000 0.010 0.000 0.934 361 F CB 2.382 41.394 39.000 0.020 0.000 1.215 361 F HN 0.150 nan 8.300 nan 0.000 0.471 362 L N 3.441 124.786 121.223 0.203 0.000 2.313 362 L HA 0.797 5.132 4.340 -0.008 0.000 0.283 362 L C -0.623 176.308 176.870 0.101 0.000 1.013 362 L CA -0.967 53.938 54.840 0.108 0.000 0.816 362 L CB 1.778 43.875 42.059 0.063 0.000 1.236 362 L HN 0.538 nan 8.230 nan 0.000 0.419 363 V N 0.927 120.882 119.914 0.069 0.000 3.126 363 V HA 0.589 4.705 4.120 -0.008 0.000 0.314 363 V C 0.124 176.237 176.094 0.031 0.000 1.138 363 V CA -0.750 61.575 62.300 0.042 0.000 1.034 363 V CB 2.328 34.168 31.823 0.028 0.000 1.075 363 V HN 0.707 nan 8.190 nan 0.000 0.442 364 R N 0.229 120.742 120.500 0.022 0.000 2.279 364 R HA 0.344 4.680 4.340 -0.008 0.000 0.195 364 R C -0.217 176.097 176.300 0.022 0.000 0.905 364 R CA 0.878 56.991 56.100 0.020 0.000 1.044 364 R CB 0.277 30.586 30.300 0.015 0.000 1.056 364 R HN 1.061 nan 8.270 nan 0.000 0.535 365 D N -2.995 117.417 120.400 0.020 0.000 2.744 365 D HA 0.358 4.993 4.640 -0.008 0.000 0.304 365 D C 0.261 176.575 176.300 0.023 0.000 1.179 365 D CA -0.458 53.556 54.000 0.023 0.000 1.024 365 D CB 0.493 41.304 40.800 0.018 0.000 1.453 365 D HN -0.154 nan 8.370 nan 0.000 0.529 366 A N -0.163 122.674 122.820 0.028 0.000 1.897 366 A HA -0.093 4.222 4.320 -0.008 0.000 0.215 366 A C 1.674 179.266 177.584 0.012 0.000 1.181 366 A CA 1.472 53.526 52.037 0.028 0.000 0.620 366 A CB -1.212 17.811 19.000 0.038 0.000 0.821 366 A HN 0.579 nan 8.150 nan 0.000 0.443 367 N N 0.315 119.018 118.700 0.006 0.000 2.104 367 N HA -0.150 4.586 4.740 -0.008 0.000 0.190 367 N C 1.623 177.121 175.510 -0.021 0.000 1.024 367 N CA 1.748 54.794 53.050 -0.007 0.000 0.853 367 N CB -0.296 38.187 38.487 -0.007 0.000 1.008 367 N HN 0.660 nan 8.380 nan 0.000 0.424 368 E N 0.397 120.583 120.200 -0.022 0.000 2.058 368 E HA -0.156 4.189 4.350 -0.008 0.000 0.194 368 E C 2.034 178.600 176.600 -0.056 0.000 0.997 368 E CA 1.137 57.510 56.400 -0.045 0.000 0.801 368 E CB -0.196 29.484 29.700 -0.034 0.000 0.746 368 E HN 0.424 nan 8.360 nan 0.000 0.450 369 A N 1.031 123.836 122.820 -0.024 0.000 1.940 369 A HA -0.176 4.140 4.320 -0.008 0.000 0.219 369 A C 2.516 180.088 177.584 -0.019 0.000 1.176 369 A CA 1.373 53.402 52.037 -0.013 0.000 0.631 369 A CB -0.704 18.306 19.000 0.017 0.000 0.814 369 A HN 0.129 nan 8.150 nan 0.000 0.446 370 V N -0.057 119.848 119.914 -0.015 0.000 2.358 370 V HA -0.263 3.852 4.120 -0.008 0.000 0.246 370 V C 2.491 178.570 176.094 -0.026 0.000 1.047 370 V CA 2.223 64.515 62.300 -0.013 0.000 1.035 370 V CB -0.731 31.084 31.823 -0.013 0.000 0.658 370 V HN 0.777 nan 8.190 nan 0.000 0.452 371 E N 0.607 120.779 120.200 -0.047 0.000 2.038 371 E HA -0.236 4.110 4.350 -0.008 0.000 0.195 371 E C 2.228 178.789 176.600 -0.065 0.000 1.000 371 E CA 2.387 58.752 56.400 -0.059 0.000 0.803 371 E CB -0.102 29.541 29.700 -0.095 0.000 0.750 371 E HN 0.553 nan 8.360 nan 0.000 0.448 372 V N -0.080 119.743 119.914 -0.151 0.000 2.343 372 V HA -0.219 3.897 4.120 -0.008 0.000 0.247 372 V C 2.578 178.657 176.094 -0.025 0.000 1.051 372 V CA 1.808 63.969 62.300 -0.232 0.000 1.036 372 V CB -1.472 30.067 31.823 -0.473 0.000 0.654 372 V HN 0.333 nan 8.190 nan 0.000 0.451 373 V N -0.809 119.104 119.914 -0.001 0.000 2.343 373 V HA -0.193 3.922 4.120 -0.008 0.000 0.247 373 V C 2.513 178.628 176.094 0.036 0.000 1.051 373 V CA 2.203 64.526 62.300 0.037 0.000 1.036 373 V CB -1.163 30.680 31.823 0.033 0.000 0.654 373 V HN 0.478 nan 8.190 nan 0.000 0.451 374 L N -1.219 120.021 121.223 0.028 0.000 2.017 374 L HA -0.128 4.207 4.340 -0.008 0.000 0.208 374 L C 2.668 179.566 176.870 0.047 0.000 1.073 374 L CA 2.442 57.294 54.840 0.020 0.000 0.745 374 L CB -0.888 41.180 42.059 0.016 0.000 0.894 374 L HN 0.423 nan 8.230 nan 0.000 0.432 375 Y N 0.877 121.158 120.300 -0.032 0.000 2.070 375 Y HA -0.290 4.255 4.550 -0.007 0.000 0.280 375 Y C 2.382 178.337 175.900 0.092 0.000 1.148 375 Y CA 1.658 59.788 58.100 0.049 0.000 1.125 375 Y CB -0.488 37.976 38.460 0.007 0.000 0.975 375 Y HN -0.034 nan 8.280 nan 0.000 0.492 376 L N -0.904 120.349 121.223 0.051 0.000 2.079 376 L HA -0.268 4.067 4.340 -0.008 0.000 0.210 376 L C 2.384 179.221 176.870 -0.054 0.000 1.081 376 L CA 1.025 55.867 54.840 0.003 0.000 0.752 376 L CB -0.724 41.419 42.059 0.139 0.000 0.896 376 L HN 0.268 nan 8.230 nan 0.000 0.433 377 L N 0.186 121.383 121.223 -0.044 0.000 2.083 377 L HA -0.201 4.135 4.340 -0.008 0.000 0.209 377 L C 2.533 179.329 176.870 -0.123 0.000 1.083 377 L CA 1.818 56.624 54.840 -0.058 0.000 0.752 377 L CB -0.599 41.439 42.059 -0.034 0.000 0.899 377 L HN 0.357 nan 8.230 nan 0.000 0.433 378 K N -2.170 118.096 120.400 -0.222 0.000 2.361 378 K HA -0.011 4.304 4.320 -0.008 0.000 0.196 378 K C 0.287 176.598 176.600 -0.483 0.000 1.039 378 K CA 0.759 56.837 56.287 -0.349 0.000 1.001 378 K CB -0.155 32.087 32.500 -0.431 0.000 0.795 378 K HN 0.328 nan 8.250 nan 0.000 0.495 379 H N 1.975 120.901 119.070 -0.240 0.000 2.421 379 H HA 0.192 4.744 4.556 -0.007 0.000 0.241 379 H C -1.918 173.300 175.328 -0.183 0.000 1.428 379 H CA -2.125 53.762 56.048 -0.269 0.000 1.136 379 H CB 0.957 30.391 29.762 -0.545 0.000 1.612 379 H HN 0.172 nan 8.280 nan 0.000 0.537 380 P HA -0.315 nan 4.420 nan 0.000 0.218 380 P C 1.371 178.666 177.300 -0.008 0.000 1.150 380 P CA 1.466 64.553 63.100 -0.022 0.000 0.841 380 P CB 0.557 32.242 31.700 -0.025 0.000 0.784 381 E N 0.366 120.567 120.200 0.001 0.000 2.047 381 E HA -0.099 4.246 4.350 -0.008 0.000 0.191 381 E C 2.054 178.654 176.600 0.000 0.000 0.987 381 E CA 1.203 57.603 56.400 0.001 0.000 0.799 381 E CB -1.551 28.153 29.700 0.007 0.000 0.752 381 E HN 0.128 nan 8.360 nan 0.000 0.449 382 V N 1.815 121.729 119.914 -0.000 0.000 2.427 382 V HA -0.204 3.911 4.120 -0.008 0.000 0.248 382 V C 2.601 178.711 176.094 0.028 0.000 1.051 382 V CA 1.812 64.121 62.300 0.016 0.000 1.048 382 V CB -0.526 31.308 31.823 0.017 0.000 0.666 382 V HN 0.239 nan 8.190 nan 0.000 0.456 383 S N -0.284 115.429 115.700 0.022 0.000 2.348 383 S HA -0.256 4.210 4.470 -0.008 0.000 0.221 383 S C 2.044 176.647 174.600 0.005 0.000 1.033 383 S CA 1.904 60.123 58.200 0.030 0.000 1.010 383 S CB -0.360 62.855 63.200 0.025 0.000 0.891 383 S HN 0.608 nan 8.310 nan 0.000 0.442 384 K N 1.396 121.793 120.400 -0.005 0.000 2.074 384 K HA -0.175 4.140 4.320 -0.008 0.000 0.209 384 K C 1.113 177.700 176.600 -0.021 0.000 1.048 384 K CA 1.351 57.627 56.287 -0.017 0.000 0.926 384 K CB -0.162 32.328 32.500 -0.017 0.000 0.713 384 K HN 0.255 nan 8.250 nan 0.000 0.444 388 A N 1.203 123.990 122.820 -0.055 0.000 1.933 388 A HA 0.114 4.429 4.320 -0.008 0.000 0.218 388 A C 2.120 179.677 177.584 -0.045 0.000 1.175 388 A CA 2.167 54.167 52.037 -0.062 0.000 0.628 388 A CB -0.372 18.597 19.000 -0.052 0.000 0.814 388 A HN 0.353 nan 8.150 nan 0.000 0.444 389 K N -0.357 120.021 120.400 -0.036 0.000 2.062 389 K HA 0.019 4.334 4.320 -0.008 0.000 0.205 389 K C 2.301 178.894 176.600 -0.012 0.000 1.051 389 K CA 0.998 57.269 56.287 -0.026 0.000 0.941 389 K CB -0.320 32.159 32.500 -0.036 0.000 0.719 389 K HN 0.409 nan 8.250 nan 0.000 0.440 390 A N 2.117 124.927 122.820 -0.018 0.000 1.972 390 A HA -0.205 4.110 4.320 -0.008 0.000 0.219 390 A C 2.076 179.696 177.584 0.060 0.000 1.169 390 A CA 1.549 53.591 52.037 0.008 0.000 0.635 390 A CB -0.336 18.658 19.000 -0.010 0.000 0.810 390 A HN 0.220 nan 8.150 nan 0.000 0.446 391 K N -0.661 119.753 120.400 0.024 0.000 2.103 391 K HA -0.171 4.144 4.320 -0.008 0.000 0.204 391 K C 1.975 178.654 176.600 0.131 0.000 1.052 391 K CA 1.526 57.839 56.287 0.042 0.000 0.945 391 K CB -0.077 32.330 32.500 -0.155 0.000 0.722 391 K HN 0.345 nan 8.250 nan 0.000 0.443 392 E N 0.964 121.203 120.200 0.066 0.000 2.150 392 E HA -0.156 4.189 4.350 -0.008 0.000 0.193 392 E C 1.897 178.549 176.600 0.085 0.000 0.985 392 E CA 1.100 57.546 56.400 0.077 0.000 0.814 392 E CB -0.020 29.697 29.700 0.027 0.000 0.752 392 E HN 0.227 nan 8.360 nan 0.000 0.466 393 R N -0.567 119.979 120.500 0.077 0.000 2.120 393 R HA -0.083 4.253 4.340 -0.008 0.000 0.234 393 R C 1.840 178.206 176.300 0.111 0.000 1.123 393 R CA 1.412 57.550 56.100 0.063 0.000 0.975 393 R CB -0.072 30.268 30.300 0.068 0.000 0.866 393 R HN 0.121 nan 8.270 nan 0.000 0.446 394 V N 0.577 120.636 119.914 0.242 0.000 2.591 394 V HA -0.095 4.021 4.120 -0.008 0.000 0.249 394 V C 2.456 178.665 176.094 0.193 0.000 1.053 394 V CA 1.722 64.225 62.300 0.340 0.000 1.068 394 V CB -0.563 31.534 31.823 0.455 0.000 0.689 394 V HN 0.379 nan 8.190 nan 0.000 0.462 395 R N 0.819 121.479 120.500 0.268 0.000 2.073 395 R HA -0.157 4.179 4.340 -0.008 0.000 0.234 395 R C 2.166 178.490 176.300 0.040 0.000 1.134 395 R CA 1.675 57.904 56.100 0.214 0.000 0.952 395 R CB -0.107 30.382 30.300 0.314 0.000 0.850 395 R HN 0.414 nan 8.270 nan 0.000 0.433 396 K N -0.688 119.713 120.400 0.001 0.000 2.418 396 K HA 0.066 4.382 4.320 -0.008 0.000 0.195 396 K C 1.039 177.525 176.600 -0.190 0.000 1.035 396 K CA 0.574 56.817 56.287 -0.073 0.000 1.003 396 K CB 0.289 32.754 32.500 -0.058 0.000 0.793 396 K HN 0.271 nan 8.250 nan 0.000 0.494 397 N N -0.821 117.690 118.700 -0.314 0.000 2.380 397 N HA 0.106 4.841 4.740 -0.008 0.000 0.227 397 N C 0.212 175.165 175.510 -0.928 0.000 1.139 397 N CA 0.504 53.116 53.050 -0.730 0.000 0.843 397 N CB 0.686 38.450 38.487 -1.204 0.000 1.327 397 N HN 0.029 nan 8.380 nan 0.000 0.470 398 F N 1.781 121.732 119.950 0.002 0.000 2.814 398 F HA 0.438 4.961 4.527 -0.008 0.000 0.326 398 F C 0.605 176.340 175.800 -0.109 0.000 1.159 398 F CA -0.685 57.304 58.000 -0.017 0.000 1.234 398 F CB 0.311 39.352 39.000 0.068 0.000 1.016 398 F HN -0.149 nan 8.300 nan 0.000 0.510 399 I N -1.635 118.896 120.570 -0.065 0.000 2.677 399 I HA 0.324 4.490 4.170 -0.008 0.000 0.305 399 I C 1.585 177.604 176.117 -0.162 0.000 0.988 399 I CA -0.706 60.483 61.300 -0.185 0.000 1.260 399 I CB 1.624 39.452 38.000 -0.287 0.000 1.410 399 I HN 0.125 nan 8.210 nan 0.000 0.523 400 I N 2.087 122.533 120.570 -0.207 0.000 2.479 400 I HA -0.308 3.858 4.170 -0.008 0.000 0.258 400 I C 2.259 178.255 176.117 -0.202 0.000 1.165 400 I CA 2.292 63.479 61.300 -0.188 0.000 1.422 400 I CB 0.106 37.980 38.000 -0.211 0.000 1.087 400 I HN 1.034 nan 8.210 nan 0.000 0.441 401 T N -2.292 112.083 114.554 -0.297 0.000 2.894 401 T HA -0.133 4.213 4.350 -0.008 0.000 0.258 401 T C 1.891 176.495 174.700 -0.159 0.000 1.043 401 T CA 0.835 62.767 62.100 -0.280 0.000 1.141 401 T CB -0.221 68.448 68.868 -0.332 0.000 0.873 401 T HN 0.074 nan 8.240 nan 0.000 0.449 402 K N 0.873 121.193 120.400 -0.132 0.000 2.211 402 K HA 0.018 4.333 4.320 -0.008 0.000 0.203 402 K C 1.153 177.694 176.600 -0.099 0.000 1.050 402 K CA 0.562 56.781 56.287 -0.113 0.000 0.945 402 K CB -0.821 31.602 32.500 -0.127 0.000 0.732 402 K HN 0.703 nan 8.250 nan 0.000 0.451 406 R N -0.152 120.250 120.500 -0.163 0.000 2.148 406 R HA 0.086 4.422 4.340 -0.008 0.000 0.223 406 R C 1.700 177.924 176.300 -0.128 0.000 1.088 406 R CA 1.442 57.434 56.100 -0.180 0.000 0.985 406 R CB -0.130 30.000 30.300 -0.283 0.000 0.880 406 R HN 0.280 nan 8.270 nan 0.000 0.451 407 Y N -0.376 119.836 120.300 -0.147 0.000 2.314 407 Y HA -0.138 4.408 4.550 -0.008 0.000 0.293 407 Y C 1.771 177.670 175.900 -0.002 0.000 1.129 407 Y CA 0.474 58.544 58.100 -0.051 0.000 1.201 407 Y CB 0.200 38.647 38.460 -0.022 0.000 0.999 407 Y HN 0.034 nan 8.280 nan 0.000 0.541 408 L N -0.407 120.887 121.223 0.117 0.000 1.961 408 L HA -0.261 4.075 4.340 -0.008 0.000 0.210 408 L C 1.954 178.848 176.870 0.039 0.000 1.072 408 L CA 1.341 56.212 54.840 0.052 0.000 0.749 408 L CB -0.814 41.249 42.059 0.007 0.000 0.889 408 L HN 0.192 nan 8.230 nan 0.000 0.432 409 D N 0.692 121.104 120.400 0.020 0.000 2.269 409 D HA -0.269 4.367 4.640 -0.008 0.000 0.191 409 D C 2.111 178.435 176.300 0.039 0.000 1.007 409 D CA 1.744 55.755 54.000 0.017 0.000 0.855 409 D CB -0.591 40.209 40.800 -0.000 0.000 0.979 409 D HN 0.279 nan 8.370 nan 0.000 0.452 410 I N 0.508 121.109 120.570 0.053 0.000 2.121 410 I HA -0.319 3.847 4.170 -0.008 0.000 0.243 410 I C 2.587 178.758 176.117 0.090 0.000 1.047 410 I CA 1.108 62.454 61.300 0.077 0.000 1.308 410 I CB -0.341 37.730 38.000 0.117 0.000 1.015 410 I HN 0.074 nan 8.210 nan 0.000 0.410 411 L N 0.151 121.424 121.223 0.084 0.000 2.083 411 L HA -0.208 4.127 4.340 -0.008 0.000 0.209 411 L C 2.353 179.280 176.870 0.094 0.000 1.083 411 L CA 1.328 56.205 54.840 0.061 0.000 0.752 411 L CB -0.894 41.062 42.059 -0.172 0.000 0.899 411 L HN 0.406 nan 8.230 nan 0.000 0.433 412 N N 0.274 119.005 118.700 0.052 0.000 2.104 412 N HA -0.106 4.629 4.740 -0.008 0.000 0.190 412 N C 1.272 176.824 175.510 0.070 0.000 1.024 412 N CA 1.194 54.277 53.050 0.054 0.000 0.853 412 N CB -0.238 38.268 38.487 0.032 0.000 1.008 412 N HN 0.389 nan 8.380 nan 0.000 0.424 413 S N 0.000 115.738 115.700 0.064 0.000 2.498 413 S HA 0.000 4.465 4.470 -0.008 0.000 0.327 413 S CA 0.000 58.233 58.200 0.056 0.000 1.107 413 S CB 0.000 63.226 63.200 0.043 0.000 0.593 413 S HN 0.000 nan 8.310 nan 0.000 0.517