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 1ho8_1_A DATA FIRST_RESID 2 DATA SEQUENCE GATKILMDST HFNEIRSIIR SRSVAWDALA RSEELSEIDA STAKALESIL DATA SEQUENCE VKXXXXXXXX XXXXXXXXXK VNGKTLIPLI HLLSTSDNED CKKSVQNLIA DATA SEQUENCE ELLSSDKYGD DTVKFFQEDP KQLEQLFDVS LKGDFQTVLI SGFNVVSLLV DATA SEQUENCE QNGLHNVKLV EKLLKNNNLI NILQNIEQMD TCYVCIRLLQ ELAVIPEYRD DATA SEQUENCE VIWLHEKKFM PTLFKILQRA TDXXXXXXXX XXXXXHLGIQ LQYHSLLLIW DATA SEQUENCE LLTFNPVFAN ELVQKYLSDF LDLLKLVKIT IKEKVSRLCI SIILQCCSTR DATA SEQUENCE VKQHKKVIKQ LLLLGNALPT VQSLSERKYS DEELRQDISN LKEILENEYQ DATA SEQUENCE ELTSFDEYVA ELDSKLLCWS PPHVDNGFWS DNIDEFKKDN YKIFRQLIEL DATA SEQUENCE LQAKVRNGDV NAKQEKIIIQ VALNDITHVV ELLPESIDVL DKTGGKADIM DATA SEQUENCE ELLNHSDSRV KYEALKATQA IIGYTFK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 2 G C 0.000 174.918 174.900 0.030 0.000 0.946 2 G CA 0.000 45.114 45.100 0.024 0.000 0.502 3 A N -0.067 122.776 122.820 0.039 0.000 2.709 3 A HA 0.654 4.974 4.320 0.001 0.000 0.241 3 A C 0.267 177.879 177.584 0.047 0.000 0.879 3 A CA 1.030 53.093 52.037 0.044 0.000 1.120 3 A CB -0.382 18.649 19.000 0.052 0.000 1.226 3 A HN 1.833 nan 8.150 nan 0.000 0.468 4 T N 0.304 114.884 114.554 0.043 0.000 2.150 4 T HA -0.097 4.253 4.350 0.001 0.000 0.570 4 T C -0.709 174.022 174.700 0.051 0.000 0.880 4 T CA 0.948 63.073 62.100 0.042 0.000 3.027 4 T CB -1.014 67.874 68.868 0.033 0.000 1.841 4 T HN 0.615 nan 8.240 nan 0.000 0.500 5 K N 3.030 123.468 120.400 0.064 0.000 2.540 5 K HA 0.509 4.829 4.320 0.001 0.000 0.218 5 K C 1.065 177.729 176.600 0.107 0.000 1.017 5 K CA -0.728 55.617 56.287 0.096 0.000 1.029 5 K CB 0.688 33.249 32.500 0.103 0.000 1.348 5 K HN 0.734 nan 8.250 nan 0.000 0.508 6 I N -1.213 119.418 120.570 0.101 0.000 2.882 6 I HA 0.119 4.289 4.170 0.001 0.000 0.286 6 I C 0.523 176.751 176.117 0.184 0.000 1.139 6 I CA -0.425 60.933 61.300 0.096 0.000 1.379 6 I CB 0.370 38.390 38.000 0.033 0.000 1.410 6 I HN 0.584 nan 8.210 nan 0.000 0.594 7 L N 2.167 123.455 121.223 0.107 0.000 3.660 7 L HA -0.228 4.112 4.340 0.001 0.000 0.440 7 L C 1.057 178.016 176.870 0.148 0.000 1.262 7 L CA 0.385 55.280 54.840 0.093 0.000 0.837 7 L CB -0.866 41.230 42.059 0.062 0.000 1.689 7 L HN 0.873 nan 8.230 nan 0.000 0.890 8 M N -0.654 119.015 119.600 0.115 0.000 2.447 8 M HA -0.045 4.436 4.480 0.001 0.000 0.264 8 M C 1.292 177.632 176.300 0.067 0.000 1.095 8 M CA 1.753 57.111 55.300 0.098 0.000 1.125 8 M CB 0.138 32.790 32.600 0.086 0.000 1.389 8 M HN 0.210 nan 8.290 nan 0.000 0.459 9 D N -0.667 119.773 120.400 0.067 0.000 2.389 9 D HA 0.104 4.745 4.640 0.001 0.000 0.206 9 D C 0.034 176.351 176.300 0.028 0.000 1.055 9 D CA 0.281 54.311 54.000 0.051 0.000 0.856 9 D CB -0.047 40.794 40.800 0.068 0.000 0.957 9 D HN 0.239 nan 8.370 nan 0.000 0.509 10 S N 0.716 116.442 115.700 0.044 0.000 2.670 10 S HA -0.001 4.469 4.470 0.001 0.000 0.308 10 S C 1.311 175.825 174.600 -0.144 0.000 1.232 10 S CA 0.008 58.208 58.200 -0.000 0.000 1.126 10 S CB 0.804 64.065 63.200 0.101 0.000 0.897 10 S HN 0.054 nan 8.310 nan 0.000 0.508 11 T N 2.234 116.515 114.554 -0.455 0.000 2.896 11 T HA -0.073 4.278 4.350 0.001 0.000 0.263 11 T C 1.494 175.921 174.700 -0.456 0.000 1.050 11 T CA 1.032 62.872 62.100 -0.435 0.000 1.140 11 T CB -0.305 68.426 68.868 -0.227 0.000 0.877 11 T HN 0.798 nan 8.240 nan 0.000 0.457 12 H N -0.108 119.067 119.070 0.175 0.000 2.495 12 H HA 0.117 4.673 4.556 0.001 0.000 0.287 12 H C 1.951 177.443 175.328 0.273 0.000 1.033 12 H CA 0.398 56.559 56.048 0.189 0.000 1.307 12 H CB -0.482 29.378 29.762 0.163 0.000 1.401 12 H HN 0.279 nan 8.280 nan 0.000 0.555 13 F N 2.440 122.367 119.950 -0.038 0.000 2.094 13 F HA -0.041 4.487 4.527 0.001 0.000 0.291 13 F C 1.879 177.627 175.800 -0.087 0.000 1.109 13 F CA 0.712 58.687 58.000 -0.042 0.000 1.221 13 F CB -0.736 38.207 39.000 -0.095 0.000 1.014 13 F HN 0.018 nan 8.300 nan 0.000 0.473 14 N N -0.051 118.598 118.700 -0.085 0.000 2.096 14 N HA -0.272 4.469 4.740 0.001 0.000 0.195 14 N C 1.919 177.341 175.510 -0.147 0.000 1.017 14 N CA 1.496 54.433 53.050 -0.189 0.000 0.870 14 N CB -0.281 38.141 38.487 -0.108 0.000 1.024 14 N HN 0.291 nan 8.380 nan 0.000 0.434 15 E N 1.155 121.327 120.200 -0.048 0.000 2.072 15 E HA -0.130 4.220 4.350 0.001 0.000 0.191 15 E C 2.013 178.607 176.600 -0.010 0.000 0.985 15 E CA 0.860 57.262 56.400 0.002 0.000 0.801 15 E CB -0.059 29.695 29.700 0.089 0.000 0.750 15 E HN 0.392 nan 8.360 nan 0.000 0.452 16 I N 0.492 121.070 120.570 0.014 0.000 2.226 16 I HA -0.290 3.880 4.170 0.001 0.000 0.245 16 I C 2.644 178.680 176.117 -0.135 0.000 1.100 16 I CA 1.096 62.401 61.300 0.008 0.000 1.374 16 I CB -0.158 37.907 38.000 0.108 0.000 1.057 16 I HN -0.005 nan 8.210 nan 0.000 0.413 17 R N 0.168 120.488 120.500 -0.299 0.000 2.083 17 R HA -0.157 4.184 4.340 0.001 0.000 0.237 17 R C 2.477 178.654 176.300 -0.205 0.000 1.137 17 R CA 1.797 57.679 56.100 -0.362 0.000 0.951 17 R CB -0.559 29.427 30.300 -0.522 0.000 0.851 17 R HN 0.210 nan 8.270 nan 0.000 0.434 18 S N 0.515 116.126 115.700 -0.149 0.000 2.383 18 S HA -0.086 4.384 4.470 0.001 0.000 0.229 18 S C 1.796 176.357 174.600 -0.066 0.000 1.030 18 S CA 1.097 59.243 58.200 -0.091 0.000 1.002 18 S CB -0.171 62.992 63.200 -0.063 0.000 0.829 18 S HN 0.235 nan 8.310 nan 0.000 0.467 19 I N 1.358 121.894 120.570 -0.057 0.000 3.001 19 I HA -0.078 4.093 4.170 0.001 0.000 0.268 19 I C 1.600 177.679 176.117 -0.062 0.000 1.267 19 I CA 0.731 62.008 61.300 -0.038 0.000 1.472 19 I CB -0.279 37.718 38.000 -0.005 0.000 1.089 19 I HN 0.327 nan 8.210 nan 0.000 0.468 20 I N 0.333 120.848 120.570 -0.092 0.000 2.731 20 I HA -0.060 4.110 4.170 0.001 0.000 0.260 20 I C 2.408 178.478 176.117 -0.078 0.000 1.138 20 I CA 0.445 61.684 61.300 -0.101 0.000 1.461 20 I CB -0.652 37.269 38.000 -0.133 0.000 1.128 20 I HN 0.228 nan 8.210 nan 0.000 0.438 21 R N 2.272 122.727 120.500 -0.075 0.000 2.307 21 R HA 0.026 4.367 4.340 0.001 0.000 0.199 21 R C 1.926 178.202 176.300 -0.039 0.000 1.000 21 R CA 1.236 57.306 56.100 -0.049 0.000 1.023 21 R CB -0.717 29.553 30.300 -0.050 0.000 0.908 21 R HN 0.446 nan 8.270 nan 0.000 0.473 22 S N 1.470 117.143 115.700 -0.045 0.000 2.345 22 S HA -0.175 4.296 4.470 0.001 0.000 0.220 22 S C 1.344 175.917 174.600 -0.045 0.000 1.031 22 S CA 0.283 58.460 58.200 -0.038 0.000 0.996 22 S CB -0.400 62.780 63.200 -0.033 0.000 0.882 22 S HN 0.323 nan 8.310 nan 0.000 0.445 23 R N 2.704 123.170 120.500 -0.056 0.000 2.402 23 R HA 0.245 4.586 4.340 0.001 0.000 0.331 23 R C -0.904 175.339 176.300 -0.094 0.000 1.040 23 R CA 0.163 56.219 56.100 -0.073 0.000 0.980 23 R CB -0.167 30.086 30.300 -0.078 0.000 0.967 23 R HN 0.258 nan 8.270 nan 0.000 0.440 24 S N 2.792 118.428 115.700 -0.105 0.000 2.586 24 S HA 0.402 4.873 4.470 0.001 0.000 0.274 24 S C -0.589 173.854 174.600 -0.263 0.000 1.281 24 S CA -0.834 57.276 58.200 -0.149 0.000 1.035 24 S CB 1.729 64.871 63.200 -0.097 0.000 0.962 24 S HN 0.376 nan 8.310 nan 0.000 0.512 25 V N 1.167 120.795 119.914 -0.478 0.000 2.581 25 V HA 0.722 4.842 4.120 0.001 0.000 0.303 25 V C 0.069 175.691 176.094 -0.787 0.000 1.041 25 V CA -1.049 60.805 62.300 -0.744 0.000 0.907 25 V CB 1.532 32.657 31.823 -1.164 0.000 0.994 25 V HN 0.962 nan 8.190 nan 0.000 0.442 26 A N 3.771 126.273 122.820 -0.530 0.000 3.000 26 A HA 0.337 4.658 4.320 0.001 0.000 0.315 26 A C 0.754 178.197 177.584 -0.235 0.000 1.434 26 A CA -0.546 51.319 52.037 -0.286 0.000 1.108 26 A CB -0.276 18.634 19.000 -0.149 0.000 1.171 26 A HN 0.896 nan 8.150 nan 0.000 0.524 27 W N 1.753 123.042 121.300 -0.020 0.000 2.103 27 W HA -0.308 4.353 4.660 0.001 0.000 0.315 27 W C 1.806 178.316 176.519 -0.015 0.000 1.170 27 W CA 2.130 59.463 57.345 -0.019 0.000 1.085 27 W CB -1.043 28.405 29.460 -0.020 0.000 1.149 27 W HN 0.906 nan 8.180 nan 0.000 0.476 28 D N 0.184 120.748 120.400 0.272 0.000 3.818 28 D HA -0.399 4.242 4.640 0.001 0.000 0.506 28 D C 1.779 178.126 176.300 0.078 0.000 1.227 28 D CA 2.917 57.000 54.000 0.137 0.000 1.422 28 D CB -1.671 39.196 40.800 0.112 0.000 0.651 28 D HN 0.191 nan 8.370 nan 0.000 0.626 29 A N 1.435 124.280 122.820 0.041 0.000 1.859 29 A HA -0.206 4.115 4.320 0.001 0.000 0.218 29 A C 2.855 180.445 177.584 0.011 0.000 1.209 29 A CA 2.620 54.663 52.037 0.010 0.000 0.639 29 A CB -1.164 17.823 19.000 -0.021 0.000 0.835 29 A HN 0.416 nan 8.150 nan 0.000 0.450 30 L N -1.082 120.141 121.223 -0.001 0.000 2.051 30 L HA -0.326 4.015 4.340 0.001 0.000 0.214 30 L C 3.088 179.981 176.870 0.039 0.000 1.076 30 L CA 1.474 56.316 54.840 0.004 0.000 0.758 30 L CB -0.874 41.180 42.059 -0.009 0.000 0.890 30 L HN 0.542 nan 8.230 nan 0.000 0.433 31 A N 0.035 122.898 122.820 0.072 0.000 1.828 31 A HA -0.245 4.076 4.320 0.001 0.000 0.215 31 A C 2.444 180.054 177.584 0.043 0.000 1.203 31 A CA 1.748 53.827 52.037 0.070 0.000 0.614 31 A CB -0.765 18.287 19.000 0.086 0.000 0.844 31 A HN 0.334 nan 8.150 nan 0.000 0.445 32 R N 0.497 121.021 120.500 0.039 0.000 2.134 32 R HA -0.197 4.143 4.340 0.001 0.000 0.248 32 R C 2.042 178.353 176.300 0.018 0.000 1.143 32 R CA 2.400 58.516 56.100 0.026 0.000 0.957 32 R CB -0.589 29.726 30.300 0.024 0.000 0.867 32 R HN 0.615 nan 8.270 nan 0.000 0.441 33 S N 0.139 115.847 115.700 0.014 0.000 2.653 33 S HA -0.013 4.458 4.470 0.001 0.000 0.233 33 S C 0.365 174.971 174.600 0.009 0.000 0.970 33 S CA 0.835 59.039 58.200 0.006 0.000 0.947 33 S CB -0.069 63.130 63.200 -0.003 0.000 0.771 33 S HN 0.495 nan 8.310 nan 0.000 0.538 34 E N -0.147 120.063 120.200 0.017 0.000 2.971 34 E HA -0.242 4.108 4.350 0.001 0.000 0.278 34 E C 0.582 177.192 176.600 0.017 0.000 1.009 34 E CA 0.921 57.332 56.400 0.019 0.000 0.862 34 E CB -1.284 28.425 29.700 0.015 0.000 1.436 34 E HN 0.758 nan 8.360 nan 0.000 0.434 35 E N -0.555 119.654 120.200 0.015 0.000 2.371 35 E HA 0.029 4.380 4.350 0.001 0.000 0.194 35 E C 0.682 177.291 176.600 0.016 0.000 1.012 35 E CA 0.682 57.087 56.400 0.008 0.000 0.860 35 E CB 0.315 30.011 29.700 -0.006 0.000 0.811 35 E HN 0.281 nan 8.360 nan 0.000 0.502 36 L N -1.125 120.119 121.223 0.035 0.000 2.397 36 L HA 0.352 4.692 4.340 0.001 0.000 0.251 36 L C -0.573 176.332 176.870 0.058 0.000 1.064 36 L CA -1.158 53.711 54.840 0.049 0.000 0.859 36 L CB 1.977 44.092 42.059 0.093 0.000 1.468 36 L HN -0.259 nan 8.230 nan 0.000 0.411 37 S N -1.304 114.437 115.700 0.069 0.000 2.438 37 S HA 0.295 4.766 4.470 0.001 0.000 0.316 37 S C 0.413 175.051 174.600 0.064 0.000 1.084 37 S CA -0.862 57.383 58.200 0.075 0.000 1.107 37 S CB 1.275 64.543 63.200 0.114 0.000 0.981 37 S HN 0.716 nan 8.310 nan 0.000 0.466 38 E N 2.952 123.181 120.200 0.049 0.000 2.110 38 E HA -0.308 4.042 4.350 0.001 0.000 0.225 38 E C 1.599 178.208 176.600 0.015 0.000 1.063 38 E CA 1.748 58.169 56.400 0.034 0.000 0.906 38 E CB -0.563 29.151 29.700 0.024 0.000 0.795 38 E HN 0.683 nan 8.360 nan 0.000 0.479 39 I N 1.419 121.997 120.570 0.014 0.000 2.504 39 I HA -0.469 3.702 4.170 0.001 0.000 0.230 39 I C 1.924 178.032 176.117 -0.014 0.000 0.933 39 I CA 2.246 63.546 61.300 0.000 0.000 1.236 39 I CB -0.245 37.761 38.000 0.010 0.000 0.947 39 I HN 0.195 nan 8.210 nan 0.000 0.390 40 D N 0.544 120.958 120.400 0.023 0.000 2.106 40 D HA -0.171 4.470 4.640 0.001 0.000 0.194 40 D C 2.076 178.327 176.300 -0.082 0.000 0.988 40 D CA 1.821 55.822 54.000 0.003 0.000 0.845 40 D CB -0.654 40.181 40.800 0.060 0.000 0.990 40 D HN 0.563 nan 8.370 nan 0.000 0.448 41 A N 0.918 123.726 122.820 -0.020 0.000 1.881 41 A HA -0.290 4.030 4.320 0.001 0.000 0.219 41 A C 2.398 179.884 177.584 -0.164 0.000 1.215 41 A CA 3.637 55.665 52.037 -0.015 0.000 0.648 41 A CB -1.057 18.039 19.000 0.160 0.000 0.832 41 A HN 0.356 nan 8.150 nan 0.000 0.455 42 S N -1.125 114.526 115.700 -0.083 0.000 2.356 42 S HA -0.171 4.300 4.470 0.001 0.000 0.223 42 S C 1.929 176.413 174.600 -0.193 0.000 1.032 42 S CA 1.805 59.941 58.200 -0.107 0.000 1.005 42 S CB -1.193 61.976 63.200 -0.052 0.000 0.867 42 S HN 0.588 nan 8.310 nan 0.000 0.449 43 T N 2.170 116.617 114.554 -0.178 0.000 2.759 43 T HA -0.019 4.331 4.350 0.001 0.000 0.269 43 T C 2.055 176.570 174.700 -0.308 0.000 1.042 43 T CA 1.379 63.359 62.100 -0.199 0.000 1.140 43 T CB -0.570 68.209 68.868 -0.147 0.000 0.864 43 T HN 0.571 nan 8.240 nan 0.000 0.455 44 A N 1.734 124.274 122.820 -0.468 0.000 1.874 44 A HA 0.002 4.322 4.320 0.001 0.000 0.214 44 A C 2.081 179.099 177.584 -0.943 0.000 1.189 44 A CA 1.941 53.555 52.037 -0.705 0.000 0.615 44 A CB -0.492 17.955 19.000 -0.922 0.000 0.830 44 A HN 0.527 nan 8.150 nan 0.000 0.443 45 K N 0.867 120.608 120.400 -1.098 0.000 2.113 45 K HA -0.077 4.243 4.320 0.001 0.000 0.208 45 K C 1.737 178.123 176.600 -0.356 0.000 1.047 45 K CA 2.170 58.013 56.287 -0.741 0.000 0.928 45 K CB -0.651 31.713 32.500 -0.228 0.000 0.716 45 K HN 0.293 nan 8.250 nan 0.000 0.446 46 A N 1.149 123.787 122.820 -0.304 0.000 1.855 46 A HA -0.016 4.305 4.320 0.001 0.000 0.215 46 A C 2.334 179.799 177.584 -0.198 0.000 1.191 46 A CA 1.374 53.295 52.037 -0.193 0.000 0.613 46 A CB -0.802 18.099 19.000 -0.164 0.000 0.829 46 A HN 0.352 nan 8.150 nan 0.000 0.442 47 L N -0.521 120.549 121.223 -0.255 0.000 2.013 47 L HA -0.243 4.098 4.340 0.001 0.000 0.212 47 L C 2.672 179.430 176.870 -0.185 0.000 1.073 47 L CA 2.068 56.769 54.840 -0.233 0.000 0.753 47 L CB -0.452 41.454 42.059 -0.256 0.000 0.890 47 L HN 0.556 nan 8.230 nan 0.000 0.432 48 E N -0.607 119.463 120.200 -0.217 0.000 2.233 48 E HA -0.228 4.122 4.350 0.001 0.000 0.199 48 E C 1.993 178.569 176.600 -0.040 0.000 1.004 48 E CA 1.684 58.023 56.400 -0.102 0.000 0.819 48 E CB 0.161 29.825 29.700 -0.060 0.000 0.738 48 E HN 0.584 nan 8.360 nan 0.000 0.478 49 S N 0.131 115.795 115.700 -0.060 0.000 2.387 49 S HA -0.035 4.436 4.470 0.001 0.000 0.221 49 S C 2.039 176.627 174.600 -0.021 0.000 1.041 49 S CA 0.418 58.605 58.200 -0.022 0.000 0.959 49 S CB -0.325 62.863 63.200 -0.021 0.000 0.843 49 S HN 0.195 nan 8.310 nan 0.000 0.488 50 I N 2.080 122.619 120.570 -0.052 0.000 2.236 50 I HA -0.253 3.918 4.170 0.001 0.000 0.249 50 I C 2.080 178.204 176.117 0.012 0.000 1.102 50 I CA 1.315 62.593 61.300 -0.037 0.000 1.365 50 I CB -0.732 37.200 38.000 -0.113 0.000 1.051 50 I HN 0.174 nan 8.210 nan 0.000 0.420 51 L N -0.512 120.703 121.223 -0.013 0.000 2.071 51 L HA -0.061 4.280 4.340 0.001 0.000 0.201 51 L C 2.338 179.232 176.870 0.039 0.000 1.076 51 L CA 0.870 55.731 54.840 0.035 0.000 0.755 51 L CB -0.583 41.480 42.059 0.006 0.000 0.915 51 L HN -0.019 nan 8.230 nan 0.000 0.445 52 V N -1.621 118.306 119.914 0.021 0.000 3.052 52 V HA 0.004 4.125 4.120 0.001 0.000 0.254 52 V C 0.921 177.028 176.094 0.022 0.000 1.100 52 V CA 0.147 62.460 62.300 0.022 0.000 1.112 52 V CB -0.620 31.217 31.823 0.024 0.000 0.738 52 V HN 0.388 nan 8.190 nan 0.000 0.469 72 V N 1.660 121.610 119.914 0.061 0.000 2.223 72 V HA -0.212 3.909 4.120 0.001 0.000 0.246 72 V C 0.370 176.520 176.094 0.094 0.000 1.045 72 V CA 1.360 63.725 62.300 0.108 0.000 1.004 72 V CB -0.420 31.448 31.823 0.075 0.000 0.641 72 V HN 0.850 nan 8.190 nan 0.000 0.457 73 N N -1.496 117.227 118.700 0.039 0.000 7.226 73 N HA 0.190 4.930 4.740 0.001 0.000 0.102 73 N C -0.248 175.285 175.510 0.037 0.000 0.939 73 N CA 0.679 53.731 53.050 0.003 0.000 1.217 73 N CB 0.223 38.742 38.487 0.053 0.000 1.327 73 N HN 0.435 nan 8.380 nan 0.000 1.313 74 G N 1.229 110.029 108.800 0.000 0.000 3.791 74 G HA2 0.000 3.961 3.960 0.001 0.000 0.176 74 G HA3 0.000 3.961 3.960 0.001 0.000 0.176 74 G C -0.306 174.617 174.900 0.039 0.000 1.298 74 G CA -0.410 44.755 45.100 0.108 0.000 0.928 74 G HN 0.257 nan 8.290 nan 0.000 0.546 75 K N 1.468 121.860 120.400 -0.014 0.000 3.041 75 K HA 0.398 4.718 4.320 0.001 0.000 0.243 75 K C 0.481 177.016 176.600 -0.109 0.000 1.167 75 K CA 0.123 56.383 56.287 -0.044 0.000 1.235 75 K CB 0.866 33.352 32.500 -0.024 0.000 1.205 75 K HN 0.200 nan 8.250 nan 0.000 0.448 76 T N 0.280 114.724 114.554 -0.182 0.000 3.058 76 T HA 0.083 4.434 4.350 0.001 0.000 0.247 76 T C 1.473 176.030 174.700 -0.237 0.000 0.987 76 T CA 0.023 62.006 62.100 -0.195 0.000 1.062 76 T CB 0.103 68.850 68.868 -0.202 0.000 1.048 76 T HN 0.028 nan 8.240 nan 0.000 0.468 77 L N 3.074 124.069 121.223 -0.380 0.000 1.950 77 L HA -0.010 4.330 4.340 0.001 0.000 0.210 77 L C 2.459 179.161 176.870 -0.280 0.000 1.079 77 L CA 1.252 55.842 54.840 -0.417 0.000 0.754 77 L CB -1.157 40.412 42.059 -0.817 0.000 0.889 77 L HN 0.231 nan 8.230 nan 0.000 0.433 78 I N -1.701 118.679 120.570 -0.316 0.000 2.600 78 I HA -0.353 3.817 4.170 0.001 0.000 0.230 78 I C -0.356 175.753 176.117 -0.013 0.000 0.913 78 I CA 2.381 63.628 61.300 -0.088 0.000 1.228 78 I CB -3.398 34.594 38.000 -0.014 0.000 0.943 78 I HN 0.290 nan 8.210 nan 0.000 0.391 79 P HA -0.044 nan 4.420 nan 0.000 0.214 79 P C 2.577 179.908 177.300 0.053 0.000 1.162 79 P CA 1.296 64.419 63.100 0.039 0.000 0.874 79 P CB -0.092 31.599 31.700 -0.014 0.000 0.784 80 L N -0.389 120.816 121.223 -0.030 0.000 1.957 80 L HA -0.247 4.094 4.340 0.001 0.000 0.228 80 L C 2.652 179.532 176.870 0.017 0.000 1.086 80 L CA 1.930 56.753 54.840 -0.028 0.000 0.796 80 L CB -1.478 40.544 42.059 -0.062 0.000 0.900 80 L HN -0.110 nan 8.230 nan 0.000 0.439 81 I N -1.223 119.363 120.570 0.026 0.000 2.103 81 I HA -0.485 3.686 4.170 0.001 0.000 0.241 81 I C 2.552 178.726 176.117 0.094 0.000 1.036 81 I CA 2.163 63.504 61.300 0.068 0.000 1.300 81 I CB -1.311 36.745 38.000 0.094 0.000 1.010 81 I HN 0.541 nan 8.210 nan 0.000 0.406 82 H N 1.705 120.781 119.070 0.010 0.000 2.497 82 H HA -0.301 4.256 4.556 0.001 0.000 0.294 82 H C 2.513 177.853 175.328 0.020 0.000 1.056 82 H CA 2.672 58.730 56.048 0.015 0.000 1.124 82 H CB -0.404 29.361 29.762 0.005 0.000 1.407 82 H HN 0.303 nan 8.280 nan 0.000 0.617 83 L N 0.656 121.742 121.223 -0.228 0.000 2.026 83 L HA -0.322 4.019 4.340 0.001 0.000 0.231 83 L C 2.935 179.722 176.870 -0.137 0.000 1.095 83 L CA 2.140 56.833 54.840 -0.246 0.000 0.810 83 L CB -0.838 41.184 42.059 -0.062 0.000 0.909 83 L HN 0.481 nan 8.230 nan 0.000 0.444 84 L N -0.515 120.681 121.223 -0.045 0.000 2.054 84 L HA -0.371 3.969 4.340 0.001 0.000 0.220 84 L C 2.821 179.677 176.870 -0.024 0.000 1.081 84 L CA 2.115 56.947 54.840 -0.014 0.000 0.780 84 L CB -0.682 41.388 42.059 0.018 0.000 0.893 84 L HN 0.671 nan 8.230 nan 0.000 0.438 85 S N -0.891 114.794 115.700 -0.024 0.000 2.336 85 S HA -0.093 4.377 4.470 0.001 0.000 0.216 85 S C 1.172 175.743 174.600 -0.050 0.000 1.032 85 S CA 0.961 59.159 58.200 -0.005 0.000 0.973 85 S CB -0.409 62.824 63.200 0.055 0.000 0.888 85 S HN 0.531 nan 8.310 nan 0.000 0.455 86 T N 0.914 115.377 114.554 -0.152 0.000 2.987 86 T HA 0.604 4.955 4.350 0.001 0.000 0.288 86 T C -0.231 174.360 174.700 -0.182 0.000 0.981 86 T CA -0.310 61.668 62.100 -0.204 0.000 1.031 86 T CB 0.001 68.559 68.868 -0.516 0.000 0.976 86 T HN 0.277 nan 8.240 nan 0.000 0.612 87 S N 1.000 116.647 115.700 -0.088 0.000 2.680 87 S HA 0.315 4.785 4.470 0.001 0.000 0.284 87 S C -1.393 173.187 174.600 -0.034 0.000 1.055 87 S CA -0.688 57.476 58.200 -0.059 0.000 0.849 87 S CB 1.352 64.519 63.200 -0.054 0.000 1.068 87 S HN 0.578 nan 8.310 nan 0.000 0.453 88 D N 1.677 122.061 120.400 -0.027 0.000 2.539 88 D HA 0.204 4.844 4.640 0.001 0.000 0.232 88 D C -0.232 176.054 176.300 -0.023 0.000 1.256 88 D CA 0.016 54.003 54.000 -0.021 0.000 0.810 88 D CB 0.256 41.046 40.800 -0.016 0.000 1.090 88 D HN 0.494 nan 8.370 nan 0.000 0.519 89 N N 0.970 119.654 118.700 -0.027 0.000 3.083 89 N HA 0.040 4.780 4.740 0.001 0.000 0.260 89 N C 0.849 176.337 175.510 -0.036 0.000 1.163 89 N CA -0.136 52.893 53.050 -0.035 0.000 1.060 89 N CB 0.506 38.970 38.487 -0.040 0.000 1.345 89 N HN -0.216 nan 8.380 nan 0.000 0.515 90 E N 0.556 120.736 120.200 -0.034 0.000 2.233 90 E HA -0.243 4.108 4.350 0.001 0.000 0.199 90 E C 0.381 176.954 176.600 -0.045 0.000 1.004 90 E CA 1.522 57.902 56.400 -0.034 0.000 0.819 90 E CB -0.061 29.621 29.700 -0.030 0.000 0.738 90 E HN 0.675 nan 8.360 nan 0.000 0.478 91 D N -0.900 119.466 120.400 -0.057 0.000 2.317 91 D HA -0.008 4.632 4.640 0.001 0.000 0.211 91 D C 1.196 177.451 176.300 -0.076 0.000 0.966 91 D CA 0.537 54.492 54.000 -0.074 0.000 0.876 91 D CB -0.046 40.700 40.800 -0.090 0.000 0.927 91 D HN 0.188 nan 8.370 nan 0.000 0.519 92 C N 1.018 120.284 119.300 -0.057 0.000 2.543 92 C HA -0.042 4.419 4.460 0.001 0.000 0.281 92 C C 2.227 177.245 174.990 0.047 0.000 1.276 92 C CA 0.491 59.500 59.018 -0.015 0.000 1.700 92 C CB -0.446 27.298 27.740 0.006 0.000 2.093 92 C HN 0.331 nan 8.230 nan 0.000 0.488 93 K N 1.006 121.418 120.400 0.020 0.000 2.211 93 K HA -0.200 4.121 4.320 0.001 0.000 0.204 93 K C 1.955 178.564 176.600 0.015 0.000 1.047 93 K CA 1.146 57.446 56.287 0.021 0.000 0.935 93 K CB -0.143 32.356 32.500 -0.002 0.000 0.728 93 K HN 0.477 nan 8.250 nan 0.000 0.452 94 K N 1.020 121.417 120.400 -0.006 0.000 1.965 94 K HA -0.111 4.210 4.320 0.001 0.000 0.214 94 K C 2.424 179.025 176.600 0.002 0.000 1.046 94 K CA 1.624 57.897 56.287 -0.025 0.000 0.944 94 K CB -0.226 32.239 32.500 -0.057 0.000 0.726 94 K HN -0.008 nan 8.250 nan 0.000 0.441 95 S N 0.233 115.947 115.700 0.024 0.000 2.407 95 S HA -0.140 4.331 4.470 0.001 0.000 0.235 95 S C 1.836 176.507 174.600 0.119 0.000 1.036 95 S CA 1.340 59.590 58.200 0.083 0.000 1.013 95 S CB -0.174 63.110 63.200 0.139 0.000 0.820 95 S HN 0.147 nan 8.310 nan 0.000 0.476 96 V N 0.939 120.924 119.914 0.119 0.000 2.227 96 V HA -0.139 3.982 4.120 0.001 0.000 0.238 96 V C 2.413 178.534 176.094 0.045 0.000 1.039 96 V CA 1.655 64.005 62.300 0.083 0.000 0.990 96 V CB -1.057 30.813 31.823 0.078 0.000 0.635 96 V HN 0.286 nan 8.190 nan 0.000 0.453 97 Q N 0.488 120.308 119.800 0.035 0.000 2.167 97 Q HA -0.324 4.017 4.340 0.001 0.000 0.218 97 Q C 1.967 177.995 176.000 0.046 0.000 1.033 97 Q CA 2.712 58.534 55.803 0.033 0.000 0.918 97 Q CB -1.084 27.661 28.738 0.012 0.000 1.019 97 Q HN 0.719 nan 8.270 nan 0.000 0.417 98 N N -0.673 118.039 118.700 0.020 0.000 2.004 98 N HA -0.116 4.625 4.740 0.001 0.000 0.196 98 N C 1.699 177.217 175.510 0.014 0.000 1.064 98 N CA 1.989 55.036 53.050 -0.005 0.000 0.855 98 N CB -0.561 37.905 38.487 -0.035 0.000 1.056 98 N HN 0.305 nan 8.380 nan 0.000 0.423 99 L N -0.011 121.224 121.223 0.020 0.000 2.054 99 L HA -0.277 4.064 4.340 0.001 0.000 0.220 99 L C 2.167 179.051 176.870 0.022 0.000 1.081 99 L CA 1.076 55.920 54.840 0.007 0.000 0.780 99 L CB -1.046 40.999 42.059 -0.023 0.000 0.893 99 L HN 0.270 nan 8.230 nan 0.000 0.438 100 I N 0.638 121.230 120.570 0.038 0.000 2.087 100 I HA -0.298 3.873 4.170 0.001 0.000 0.240 100 I C 2.920 179.111 176.117 0.123 0.000 1.054 100 I CA 1.673 63.014 61.300 0.069 0.000 1.311 100 I CB -1.608 36.440 38.000 0.080 0.000 1.024 100 I HN 0.200 nan 8.210 nan 0.000 0.402 101 A N -0.038 122.881 122.820 0.165 0.000 1.859 101 A HA -0.282 4.038 4.320 0.001 0.000 0.217 101 A C 2.284 179.977 177.584 0.181 0.000 1.198 101 A CA 2.141 54.354 52.037 0.294 0.000 0.629 101 A CB -0.880 18.217 19.000 0.162 0.000 0.830 101 A HN 0.385 nan 8.150 nan 0.000 0.446 102 E N -0.682 119.552 120.200 0.056 0.000 2.208 102 E HA -0.195 4.155 4.350 0.001 0.000 0.202 102 E C 1.695 178.357 176.600 0.102 0.000 1.014 102 E CA 1.046 57.469 56.400 0.037 0.000 0.819 102 E CB -0.368 29.334 29.700 0.004 0.000 0.735 102 E HN 0.474 nan 8.360 nan 0.000 0.469 103 L N -0.402 120.891 121.223 0.117 0.000 1.971 103 L HA -0.085 4.256 4.340 0.001 0.000 0.208 103 L C 2.303 179.293 176.870 0.200 0.000 1.083 103 L CA 1.350 56.286 54.840 0.159 0.000 0.753 103 L CB -0.952 41.168 42.059 0.102 0.000 0.893 103 L HN 0.191 nan 8.230 nan 0.000 0.436 104 L N -0.732 120.608 121.223 0.196 0.000 2.166 104 L HA -0.419 3.922 4.340 0.001 0.000 0.228 104 L C 2.308 179.298 176.870 0.202 0.000 1.101 104 L CA 2.147 57.106 54.840 0.198 0.000 0.821 104 L CB -0.970 41.221 42.059 0.218 0.000 0.908 104 L HN 0.509 nan 8.230 nan 0.000 0.447 105 S N -1.811 114.021 115.700 0.220 0.000 2.486 105 S HA 0.012 4.482 4.470 0.001 0.000 0.220 105 S C 1.007 175.676 174.600 0.115 0.000 1.011 105 S CA 0.237 58.541 58.200 0.172 0.000 0.921 105 S CB -0.162 63.140 63.200 0.169 0.000 0.785 105 S HN 0.497 nan 8.310 nan 0.000 0.517 106 S N 2.235 118.014 115.700 0.133 0.000 2.702 106 S HA -0.081 4.389 4.470 0.001 0.000 0.314 106 S C 0.378 175.004 174.600 0.044 0.000 1.244 106 S CA 0.011 58.284 58.200 0.122 0.000 1.058 106 S CB 0.088 63.466 63.200 0.296 0.000 0.783 106 S HN 0.286 nan 8.310 nan 0.000 0.503 107 D N 3.717 124.109 120.400 -0.014 0.000 2.117 107 D HA -0.086 4.555 4.640 0.001 0.000 0.197 107 D C 1.986 178.206 176.300 -0.133 0.000 0.987 107 D CA 1.592 55.563 54.000 -0.048 0.000 0.829 107 D CB 0.086 40.862 40.800 -0.040 0.000 0.961 107 D HN 0.667 nan 8.370 nan 0.000 0.460 108 K N -0.078 120.139 120.400 -0.304 0.000 1.985 108 K HA -0.119 4.202 4.320 0.001 0.000 0.210 108 K C 1.206 177.447 176.600 -0.598 0.000 1.047 108 K CA 1.060 56.996 56.287 -0.585 0.000 0.932 108 K CB -0.511 31.416 32.500 -0.954 0.000 0.716 108 K HN 0.264 nan 8.250 nan 0.000 0.439 109 Y N -0.378 119.941 120.300 0.032 0.000 2.958 109 Y HA 0.283 4.834 4.550 0.001 0.000 0.480 109 Y C 2.155 178.090 175.900 0.058 0.000 1.384 109 Y CA 0.104 58.229 58.100 0.042 0.000 1.949 109 Y CB -0.971 37.509 38.460 0.035 0.000 1.690 109 Y HN 0.378 nan 8.280 nan 0.000 0.720 110 G N -0.571 108.402 108.800 0.289 0.000 2.343 110 G HA2 -0.363 3.598 3.960 0.001 0.000 0.264 110 G HA3 -0.363 3.598 3.960 0.001 0.000 0.264 110 G C 1.041 176.032 174.900 0.153 0.000 0.989 110 G CA 1.137 46.354 45.100 0.194 0.000 0.627 110 G HN 0.582 nan 8.290 nan 0.000 0.549 111 D N 0.591 121.069 120.400 0.131 0.000 2.202 111 D HA 0.041 4.681 4.640 0.001 0.000 0.214 111 D C 2.006 178.382 176.300 0.127 0.000 0.967 111 D CA 1.371 55.432 54.000 0.102 0.000 0.871 111 D CB -0.110 40.725 40.800 0.059 0.000 1.020 111 D HN 0.471 nan 8.370 nan 0.000 0.474 112 D N -0.055 120.433 120.400 0.146 0.000 2.123 112 D HA -0.086 4.555 4.640 0.001 0.000 0.200 112 D C 1.888 178.310 176.300 0.204 0.000 0.976 112 D CA 1.074 55.168 54.000 0.155 0.000 0.831 112 D CB -0.368 40.520 40.800 0.147 0.000 0.974 112 D HN 0.042 nan 8.370 nan 0.000 0.469 113 T N 0.684 115.371 114.554 0.223 0.000 2.653 113 T HA -0.240 4.110 4.350 0.001 0.000 0.267 113 T C 2.128 177.084 174.700 0.427 0.000 1.037 113 T CA 1.506 63.773 62.100 0.279 0.000 1.159 113 T CB -0.674 68.350 68.868 0.261 0.000 0.859 113 T HN 0.006 nan 8.240 nan 0.000 0.449 114 V N 2.487 122.597 119.914 0.327 0.000 2.220 114 V HA -0.258 3.862 4.120 0.001 0.000 0.246 114 V C 2.566 178.887 176.094 0.379 0.000 1.049 114 V CA 1.859 64.369 62.300 0.351 0.000 1.003 114 V CB -0.655 31.283 31.823 0.192 0.000 0.634 114 V HN 0.510 nan 8.190 nan 0.000 0.444 115 K N -0.072 120.464 120.400 0.227 0.000 2.030 115 K HA -0.337 3.983 4.320 0.001 0.000 0.222 115 K C 2.048 178.720 176.600 0.120 0.000 1.056 115 K CA 2.511 58.884 56.287 0.144 0.000 0.957 115 K CB -1.380 31.179 32.500 0.099 0.000 0.727 115 K HN 0.415 nan 8.250 nan 0.000 0.452 116 F N 1.462 121.405 119.950 -0.012 0.000 2.080 116 F HA -0.358 4.170 4.527 0.001 0.000 0.289 116 F C 2.205 177.838 175.800 -0.278 0.000 1.101 116 F CA 2.286 60.158 58.000 -0.212 0.000 1.267 116 F CB -0.647 38.107 39.000 -0.411 0.000 0.943 116 F HN -0.004 nan 8.300 nan 0.000 0.508 117 F N 0.017 120.076 119.950 0.182 0.000 2.259 117 F HA -0.082 4.446 4.527 0.001 0.000 0.298 117 F C 2.453 178.243 175.800 -0.018 0.000 1.088 117 F CA 1.139 59.176 58.000 0.063 0.000 1.358 117 F CB -1.319 37.778 39.000 0.161 0.000 1.040 117 F HN 0.063 nan 8.300 nan 0.000 0.505 118 Q N 0.652 120.577 119.800 0.209 0.000 2.112 118 Q HA -0.219 4.121 4.340 0.001 0.000 0.206 118 Q C 2.196 178.200 176.000 0.007 0.000 0.987 118 Q CA 2.046 57.910 55.803 0.102 0.000 0.858 118 Q CB -0.320 28.466 28.738 0.080 0.000 0.905 118 Q HN 0.489 nan 8.270 nan 0.000 0.420 119 E N 0.755 120.905 120.200 -0.083 0.000 2.112 119 E HA -0.115 4.236 4.350 0.001 0.000 0.190 119 E C -0.058 176.428 176.600 -0.190 0.000 0.979 119 E CA 0.936 57.249 56.400 -0.144 0.000 0.814 119 E CB -0.113 29.480 29.700 -0.179 0.000 0.762 119 E HN 0.471 nan 8.360 nan 0.000 0.460 120 D N 1.696 121.919 120.400 -0.296 0.000 2.863 120 D HA 0.167 4.807 4.640 0.001 0.000 0.323 120 D C -2.180 174.087 176.300 -0.055 0.000 1.286 120 D CA -2.009 51.839 54.000 -0.253 0.000 0.921 120 D CB 0.984 41.516 40.800 -0.447 0.000 1.024 120 D HN -0.075 nan 8.370 nan 0.000 0.505 121 P HA -0.203 nan 4.420 nan 0.000 0.231 121 P C 0.719 178.095 177.300 0.126 0.000 1.154 121 P CA 1.132 64.302 63.100 0.117 0.000 0.762 121 P CB 0.214 31.956 31.700 0.070 0.000 0.790 122 K N -1.429 119.028 120.400 0.095 0.000 2.202 122 K HA 0.023 4.344 4.320 0.001 0.000 0.201 122 K C 2.073 178.778 176.600 0.175 0.000 1.051 122 K CA 0.613 56.959 56.287 0.099 0.000 0.977 122 K CB -1.066 31.466 32.500 0.053 0.000 0.792 122 K HN -0.120 nan 8.250 nan 0.000 0.469 123 Q N 1.010 120.933 119.800 0.204 0.000 2.133 123 Q HA -0.161 4.179 4.340 0.001 0.000 0.208 123 Q C 2.146 178.457 176.000 0.519 0.000 0.991 123 Q CA 1.528 57.534 55.803 0.338 0.000 0.867 123 Q CB -0.574 28.351 28.738 0.312 0.000 0.911 123 Q HN 0.416 nan 8.270 nan 0.000 0.417 124 L N 0.733 122.321 121.223 0.609 0.000 2.131 124 L HA -0.162 4.179 4.340 0.001 0.000 0.210 124 L C 2.087 179.109 176.870 0.253 0.000 1.092 124 L CA 1.692 56.763 54.840 0.385 0.000 0.759 124 L CB -0.192 41.996 42.059 0.216 0.000 0.903 124 L HN 0.181 nan 8.230 nan 0.000 0.435 125 E N -0.908 119.413 120.200 0.202 0.000 2.072 125 E HA -0.232 4.119 4.350 0.001 0.000 0.191 125 E C 2.127 178.846 176.600 0.198 0.000 0.985 125 E CA 1.458 57.938 56.400 0.134 0.000 0.801 125 E CB -0.013 29.731 29.700 0.073 0.000 0.750 125 E HN 0.702 nan 8.360 nan 0.000 0.452 126 Q N 0.303 120.227 119.800 0.206 0.000 1.990 126 Q HA -0.173 4.167 4.340 0.001 0.000 0.200 126 Q C 2.396 178.523 176.000 0.212 0.000 0.980 126 Q CA 0.892 56.811 55.803 0.193 0.000 0.832 126 Q CB -0.362 28.483 28.738 0.179 0.000 0.897 126 Q HN 0.190 nan 8.270 nan 0.000 0.427 127 L N 0.923 122.296 121.223 0.249 0.000 2.051 127 L HA -0.222 4.119 4.340 0.001 0.000 0.214 127 L C 2.165 179.121 176.870 0.143 0.000 1.076 127 L CA 1.737 56.695 54.840 0.197 0.000 0.758 127 L CB -0.895 41.298 42.059 0.223 0.000 0.890 127 L HN 0.164 nan 8.230 nan 0.000 0.433 128 F N 0.813 120.789 119.950 0.044 0.000 2.091 128 F HA -0.299 4.229 4.527 0.001 0.000 0.299 128 F C 2.061 177.870 175.800 0.016 0.000 1.103 128 F CA 2.266 60.271 58.000 0.009 0.000 1.228 128 F CB -0.504 38.494 39.000 -0.002 0.000 0.984 128 F HN 0.284 nan 8.300 nan 0.000 0.477 129 D N -0.273 120.306 120.400 0.298 0.000 2.117 129 D HA -0.153 4.487 4.640 0.001 0.000 0.197 129 D C 2.266 178.601 176.300 0.059 0.000 0.987 129 D CA 1.752 55.865 54.000 0.188 0.000 0.829 129 D CB -0.723 40.176 40.800 0.165 0.000 0.961 129 D HN 0.339 nan 8.370 nan 0.000 0.460 130 V N -1.800 118.144 119.914 0.050 0.000 3.444 130 V HA 0.078 4.198 4.120 0.001 0.000 0.271 130 V C 0.558 176.625 176.094 -0.045 0.000 1.188 130 V CA 0.303 62.610 62.300 0.012 0.000 1.168 130 V CB -0.377 31.466 31.823 0.033 0.000 0.810 130 V HN -0.115 nan 8.190 nan 0.000 0.500 131 S N -0.078 115.549 115.700 -0.121 0.000 2.681 131 S HA 0.782 5.252 4.470 0.001 0.000 0.299 131 S C -0.097 174.343 174.600 -0.266 0.000 1.113 131 S CA -0.433 57.645 58.200 -0.203 0.000 1.013 131 S CB 1.430 64.479 63.200 -0.252 0.000 1.076 131 S HN 0.565 nan 8.310 nan 0.000 0.534 132 L N 0.330 121.426 121.223 -0.211 0.000 3.610 132 L HA -0.149 4.191 4.340 0.001 0.000 0.425 132 L C -0.853 175.959 176.870 -0.097 0.000 1.254 132 L CA 0.398 55.133 54.840 -0.175 0.000 0.874 132 L CB -1.390 40.515 42.059 -0.257 0.000 1.932 132 L HN 0.591 nan 8.230 nan 0.000 0.790 133 K N -0.468 119.891 120.400 -0.068 0.000 2.527 133 K HA 0.821 5.142 4.320 0.001 0.000 0.260 133 K C 0.448 177.033 176.600 -0.025 0.000 0.937 133 K CA -0.122 56.143 56.287 -0.038 0.000 0.826 133 K CB 2.473 34.954 32.500 -0.032 0.000 1.359 133 K HN 0.195 nan 8.250 nan 0.000 0.434 134 G N 1.832 110.626 108.800 -0.009 0.000 2.499 134 G HA2 -0.267 3.694 3.960 0.001 0.000 0.232 134 G HA3 -0.267 3.694 3.960 0.001 0.000 0.232 134 G C -0.691 174.214 174.900 0.008 0.000 1.251 134 G CA 0.212 45.310 45.100 -0.003 0.000 0.917 134 G HN 0.991 nan 8.290 nan 0.000 0.580 135 D N 1.005 121.400 120.400 -0.008 0.000 2.749 135 D HA 0.052 4.692 4.640 0.001 0.000 0.222 135 D C 1.839 178.124 176.300 -0.027 0.000 1.131 135 D CA 0.969 54.962 54.000 -0.011 0.000 0.845 135 D CB 0.086 40.831 40.800 -0.092 0.000 1.196 135 D HN 1.025 nan 8.370 nan 0.000 0.503 136 F N 2.693 122.647 119.950 0.007 0.000 2.115 136 F HA -0.299 4.228 4.527 0.001 0.000 0.300 136 F C 2.162 177.976 175.800 0.024 0.000 1.092 136 F CA 1.777 59.786 58.000 0.014 0.000 1.245 136 F CB -0.898 38.113 39.000 0.018 0.000 0.995 136 F HN 0.425 nan 8.300 nan 0.000 0.481 137 Q N 0.512 119.719 119.800 -0.988 0.000 1.993 137 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 137 Q C 2.172 178.032 176.000 -0.233 0.000 0.984 137 Q CA 2.125 57.576 55.803 -0.586 0.000 0.837 137 Q CB -1.182 27.175 28.738 -0.636 0.000 0.902 137 Q HN 0.461 nan 8.270 nan 0.000 0.423 138 T N 1.343 115.773 114.554 -0.207 0.000 2.668 138 T HA -0.229 4.122 4.350 0.001 0.000 0.265 138 T C 2.038 176.703 174.700 -0.059 0.000 1.041 138 T CA 1.781 63.819 62.100 -0.103 0.000 1.160 138 T CB -0.576 68.243 68.868 -0.081 0.000 0.857 138 T HN 0.087 nan 8.240 nan 0.000 0.455 139 V N 0.566 120.449 119.914 -0.051 0.000 2.392 139 V HA -0.123 3.998 4.120 0.001 0.000 0.249 139 V C 2.339 178.435 176.094 0.003 0.000 1.059 139 V CA 1.319 63.605 62.300 -0.023 0.000 1.051 139 V CB -0.525 31.303 31.823 0.009 0.000 0.658 139 V HN 0.283 nan 8.190 nan 0.000 0.455 140 L N 0.027 121.270 121.223 0.034 0.000 1.993 140 L HA -0.087 4.254 4.340 0.001 0.000 0.206 140 L C 2.332 179.312 176.870 0.185 0.000 1.074 140 L CA 1.941 56.843 54.840 0.104 0.000 0.746 140 L CB -0.761 41.395 42.059 0.162 0.000 0.896 140 L HN 0.263 nan 8.230 nan 0.000 0.435 141 I N -1.220 119.462 120.570 0.187 0.000 2.151 141 I HA -0.297 3.873 4.170 0.001 0.000 0.243 141 I C 2.540 178.806 176.117 0.248 0.000 1.080 141 I CA 1.687 63.146 61.300 0.265 0.000 1.339 141 I CB -2.246 35.806 38.000 0.087 0.000 1.039 141 I HN 0.409 nan 8.210 nan 0.000 0.409 142 S N 2.274 118.027 115.700 0.089 0.000 2.377 142 S HA -0.185 4.285 4.470 0.001 0.000 0.224 142 S C 2.297 176.888 174.600 -0.016 0.000 1.042 142 S CA 1.391 59.597 58.200 0.011 0.000 1.086 142 S CB -1.793 61.372 63.200 -0.060 0.000 0.995 142 S HN 0.535 nan 8.310 nan 0.000 0.428 143 G N 1.951 110.732 108.800 -0.032 0.000 2.721 143 G HA2 -0.297 3.664 3.960 0.001 0.000 0.218 143 G HA3 -0.297 3.664 3.960 0.001 0.000 0.218 143 G C 1.092 175.967 174.900 -0.041 0.000 1.265 143 G CA 1.311 46.368 45.100 -0.072 0.000 0.796 143 G HN 0.528 nan 8.290 nan 0.000 0.620 144 F N 2.704 122.624 119.950 -0.050 0.000 2.064 144 F HA -0.362 4.166 4.527 0.001 0.000 0.292 144 F C 2.416 178.211 175.800 -0.008 0.000 1.107 144 F CA 2.662 60.654 58.000 -0.013 0.000 1.243 144 F CB -0.747 38.384 39.000 0.218 0.000 0.949 144 F HN 0.181 nan 8.300 nan 0.000 0.506 145 N N 0.813 119.408 118.700 -0.176 0.000 1.997 145 N HA -0.227 4.513 4.740 0.001 0.000 0.198 145 N C 2.075 177.375 175.510 -0.349 0.000 1.063 145 N CA 1.899 54.773 53.050 -0.293 0.000 0.860 145 N CB -1.317 37.167 38.487 -0.005 0.000 1.063 145 N HN 0.366 nan 8.380 nan 0.000 0.424 146 V N 1.513 121.296 119.914 -0.219 0.000 2.257 146 V HA -0.298 3.822 4.120 0.001 0.000 0.257 146 V C 2.386 178.368 176.094 -0.187 0.000 1.077 146 V CA 1.975 64.165 62.300 -0.183 0.000 1.063 146 V CB -0.483 31.234 31.823 -0.176 0.000 0.664 146 V HN 0.157 nan 8.190 nan 0.000 0.450 147 V N -0.687 119.090 119.914 -0.228 0.000 2.237 147 V HA -0.252 3.868 4.120 0.001 0.000 0.245 147 V C 2.451 178.396 176.094 -0.249 0.000 1.046 147 V CA 2.264 64.435 62.300 -0.214 0.000 1.007 147 V CB -1.177 30.515 31.823 -0.218 0.000 0.638 147 V HN 0.618 nan 8.190 nan 0.000 0.445 148 S N 0.582 116.022 115.700 -0.434 0.000 2.408 148 S HA -0.246 4.224 4.470 0.001 0.000 0.241 148 S C 1.799 176.271 174.600 -0.213 0.000 1.080 148 S CA 2.042 60.003 58.200 -0.399 0.000 1.109 148 S CB -0.482 62.334 63.200 -0.640 0.000 0.966 148 S HN 0.379 nan 8.310 nan 0.000 0.449 149 L N 0.826 121.913 121.223 -0.227 0.000 2.013 149 L HA 0.076 4.416 4.340 0.001 0.000 0.204 149 L C 2.387 179.232 176.870 -0.042 0.000 1.081 149 L CA 1.219 55.966 54.840 -0.156 0.000 0.751 149 L CB -1.814 40.061 42.059 -0.307 0.000 0.901 149 L HN 0.299 nan 8.230 nan 0.000 0.440 150 L N 0.600 121.805 121.223 -0.029 0.000 2.119 150 L HA -0.249 4.092 4.340 0.001 0.000 0.226 150 L C 2.069 179.052 176.870 0.189 0.000 1.093 150 L CA 2.116 56.999 54.840 0.071 0.000 0.806 150 L CB -0.780 41.263 42.059 -0.025 0.000 0.902 150 L HN 0.351 nan 8.230 nan 0.000 0.444 151 V N -2.846 117.137 119.914 0.116 0.000 3.416 151 V HA 0.122 4.243 4.120 0.001 0.000 0.334 151 V C 0.855 176.994 176.094 0.074 0.000 1.271 151 V CA -0.081 62.260 62.300 0.070 0.000 1.274 151 V CB -0.326 31.523 31.823 0.044 0.000 1.153 151 V HN 0.239 nan 8.190 nan 0.000 0.433 152 Q N 2.143 122.029 119.800 0.143 0.000 2.259 152 Q HA 0.240 4.581 4.340 0.001 0.000 0.249 152 Q C 1.374 177.486 176.000 0.187 0.000 0.914 152 Q CA 0.689 56.575 55.803 0.139 0.000 0.904 152 Q CB 1.558 30.346 28.738 0.083 0.000 1.213 152 Q HN 0.806 nan 8.270 nan 0.000 0.428 153 N N 1.538 120.302 118.700 0.106 0.000 2.006 153 N HA -0.298 4.442 4.740 0.001 0.000 0.147 153 N C 0.605 176.079 175.510 -0.060 0.000 0.608 153 N CA 2.423 55.498 53.050 0.041 0.000 0.854 153 N CB -0.634 37.870 38.487 0.029 0.000 0.873 153 N HN 0.685 nan 8.380 nan 0.000 1.238 154 G N -2.750 106.018 108.800 -0.054 0.000 5.072 154 G HA2 0.548 4.508 3.960 0.001 0.000 0.208 154 G HA3 0.548 4.508 3.960 0.001 0.000 0.208 154 G C -0.127 174.754 174.900 -0.032 0.000 0.804 154 G CA -0.295 44.707 45.100 -0.162 0.000 0.619 154 G HN 0.217 nan 8.290 nan 0.000 0.427 155 L N 0.016 121.302 121.223 0.104 0.000 2.858 155 L HA 0.326 4.666 4.340 0.001 0.000 0.251 155 L C 0.522 177.539 176.870 0.246 0.000 1.149 155 L CA -0.620 54.314 54.840 0.157 0.000 0.955 155 L CB 0.051 42.196 42.059 0.143 0.000 1.289 155 L HN 0.189 nan 8.230 nan 0.000 0.542 156 H N 1.638 120.742 119.070 0.058 0.000 3.212 156 H HA -0.084 4.473 4.556 0.001 0.000 0.292 156 H C 0.387 175.802 175.328 0.145 0.000 0.922 156 H CA 0.670 56.777 56.048 0.099 0.000 1.389 156 H CB -0.170 29.550 29.762 -0.071 0.000 1.321 156 H HN 0.044 nan 8.280 nan 0.000 0.563 157 N N 3.174 122.083 118.700 0.348 0.000 2.884 157 N HA -0.013 4.728 4.740 0.001 0.000 0.211 157 N C 0.851 176.421 175.510 0.100 0.000 1.442 157 N CA 0.091 53.242 53.050 0.169 0.000 0.757 157 N CB 0.035 38.565 38.487 0.071 0.000 1.461 157 N HN 0.337 nan 8.380 nan 0.000 0.557 158 V N 2.423 122.451 119.914 0.189 0.000 2.250 158 V HA -0.261 3.859 4.120 0.001 0.000 0.250 158 V C 2.397 178.467 176.094 -0.041 0.000 1.060 158 V CA 2.620 64.971 62.300 0.085 0.000 1.030 158 V CB -0.419 31.501 31.823 0.160 0.000 0.643 158 V HN 0.617 nan 8.190 nan 0.000 0.445 159 K N -0.166 120.216 120.400 -0.031 0.000 2.097 159 K HA -0.260 4.060 4.320 0.001 0.000 0.214 159 K C 2.134 178.617 176.600 -0.196 0.000 1.052 159 K CA 2.844 59.081 56.287 -0.084 0.000 0.932 159 K CB -0.730 31.726 32.500 -0.073 0.000 0.716 159 K HN 0.674 nan 8.250 nan 0.000 0.455 160 L N 0.527 121.571 121.223 -0.300 0.000 1.956 160 L HA -0.235 4.106 4.340 0.001 0.000 0.216 160 L C 2.733 179.399 176.870 -0.341 0.000 1.073 160 L CA 1.679 56.169 54.840 -0.582 0.000 0.762 160 L CB -0.883 40.840 42.059 -0.561 0.000 0.889 160 L HN 0.032 nan 8.230 nan 0.000 0.433 161 V N 0.293 120.048 119.914 -0.264 0.000 2.231 161 V HA -0.374 3.746 4.120 0.001 0.000 0.250 161 V C 2.586 178.571 176.094 -0.182 0.000 1.058 161 V CA 2.350 64.482 62.300 -0.280 0.000 1.022 161 V CB -0.605 30.907 31.823 -0.518 0.000 0.640 161 V HN 0.536 nan 8.190 nan 0.000 0.445 162 E N 0.240 120.359 120.200 -0.134 0.000 2.136 162 E HA -0.277 4.073 4.350 0.001 0.000 0.202 162 E C 2.040 178.574 176.600 -0.109 0.000 1.019 162 E CA 2.049 58.404 56.400 -0.074 0.000 0.819 162 E CB -0.209 29.482 29.700 -0.014 0.000 0.739 162 E HN 0.646 nan 8.360 nan 0.000 0.458 163 K N 0.321 120.656 120.400 -0.109 0.000 1.965 163 K HA -0.091 4.229 4.320 0.001 0.000 0.214 163 K C 2.445 179.072 176.600 0.045 0.000 1.042 163 K CA 1.500 57.764 56.287 -0.039 0.000 0.950 163 K CB -0.816 31.631 32.500 -0.087 0.000 0.733 163 K HN 0.336 nan 8.250 nan 0.000 0.441 164 L N 0.840 122.179 121.223 0.194 0.000 2.197 164 L HA -0.196 4.145 4.340 0.001 0.000 0.215 164 L C 2.072 178.918 176.870 -0.041 0.000 1.095 164 L CA 1.160 56.080 54.840 0.132 0.000 0.764 164 L CB -0.373 41.777 42.059 0.152 0.000 0.897 164 L HN 0.093 nan 8.230 nan 0.000 0.436 165 L N 1.120 122.264 121.223 -0.133 0.000 2.083 165 L HA -0.159 4.182 4.340 0.001 0.000 0.209 165 L C 2.536 179.256 176.870 -0.249 0.000 1.083 165 L CA 2.071 56.763 54.840 -0.246 0.000 0.752 165 L CB -0.800 40.993 42.059 -0.443 0.000 0.899 165 L HN 0.551 nan 8.230 nan 0.000 0.433 166 K N -1.225 119.057 120.400 -0.198 0.000 2.374 166 K HA 0.051 4.372 4.320 0.001 0.000 0.196 166 K C 0.670 177.251 176.600 -0.032 0.000 1.023 166 K CA -0.153 56.068 56.287 -0.109 0.000 1.103 166 K CB -0.280 32.183 32.500 -0.063 0.000 0.848 166 K HN 0.264 nan 8.250 nan 0.000 0.528 167 N N 1.409 120.098 118.700 -0.017 0.000 2.479 167 N HA -0.029 4.711 4.740 0.001 0.000 0.257 167 N C 0.340 175.848 175.510 -0.004 0.000 1.232 167 N CA -0.112 52.941 53.050 0.004 0.000 0.920 167 N CB 0.624 39.115 38.487 0.006 0.000 1.105 167 N HN 0.073 nan 8.380 nan 0.000 0.444 168 N N 2.625 121.327 118.700 0.004 0.000 2.220 168 N HA -0.112 4.629 4.740 0.001 0.000 0.193 168 N C 0.643 176.157 175.510 0.007 0.000 1.052 168 N CA 0.559 53.613 53.050 0.007 0.000 0.898 168 N CB -0.642 37.852 38.487 0.012 0.000 1.080 168 N HN 0.609 nan 8.380 nan 0.000 0.467 169 N N 1.995 120.701 118.700 0.009 0.000 2.090 169 N HA -0.270 4.471 4.740 0.001 0.000 0.156 169 N C 1.898 177.419 175.510 0.018 0.000 0.679 169 N CA 2.036 55.096 53.050 0.016 0.000 0.868 169 N CB -1.002 37.490 38.487 0.008 0.000 0.926 169 N HN 0.387 nan 8.380 nan 0.000 1.155 170 L N -0.377 120.846 121.223 -0.001 0.000 2.044 170 L HA -0.038 4.302 4.340 0.001 0.000 0.205 170 L C 2.285 179.156 176.870 0.002 0.000 1.075 170 L CA 0.951 55.789 54.840 -0.003 0.000 0.747 170 L CB -0.268 41.772 42.059 -0.032 0.000 0.903 170 L HN -0.078 nan 8.230 nan 0.000 0.435 171 I N 1.846 122.416 120.570 0.000 0.000 2.118 171 I HA -0.304 3.867 4.170 0.001 0.000 0.241 171 I C 2.379 178.509 176.117 0.023 0.000 1.070 171 I CA 1.279 62.588 61.300 0.015 0.000 1.327 171 I CB -1.404 36.607 38.000 0.019 0.000 1.034 171 I HN 0.427 nan 8.210 nan 0.000 0.405 172 N N 0.539 119.251 118.700 0.021 0.000 2.094 172 N HA -0.189 4.551 4.740 0.001 0.000 0.191 172 N C 2.035 177.559 175.510 0.022 0.000 1.023 172 N CA 1.417 54.480 53.050 0.021 0.000 0.857 172 N CB -0.468 38.031 38.487 0.020 0.000 1.013 172 N HN 0.376 nan 8.380 nan 0.000 0.426 173 I N 0.802 121.390 120.570 0.030 0.000 2.208 173 I HA -0.257 3.913 4.170 0.001 0.000 0.245 173 I C 2.332 178.466 176.117 0.029 0.000 1.097 173 I CA 0.761 62.083 61.300 0.037 0.000 1.363 173 I CB -0.184 37.853 38.000 0.063 0.000 1.051 173 I HN 0.127 nan 8.210 nan 0.000 0.413 174 L N 0.354 121.592 121.223 0.025 0.000 2.046 174 L HA -0.266 4.074 4.340 0.001 0.000 0.208 174 L C 2.483 179.374 176.870 0.034 0.000 1.077 174 L CA 1.595 56.450 54.840 0.026 0.000 0.747 174 L CB -0.287 41.784 42.059 0.021 0.000 0.896 174 L HN 0.221 nan 8.230 nan 0.000 0.432 175 Q N 0.219 120.038 119.800 0.032 0.000 2.079 175 Q HA -0.121 4.219 4.340 0.001 0.000 0.200 175 Q C 0.812 176.825 176.000 0.021 0.000 0.974 175 Q CA 0.933 56.754 55.803 0.030 0.000 0.840 175 Q CB -0.398 28.356 28.738 0.026 0.000 0.898 175 Q HN 0.513 nan 8.270 nan 0.000 0.430 176 N N 1.540 120.248 118.700 0.012 0.000 2.406 176 N HA -0.054 4.687 4.740 0.001 0.000 0.274 176 N C 0.361 175.875 175.510 0.006 0.000 1.249 176 N CA 0.126 53.177 53.050 0.001 0.000 0.951 176 N CB 0.489 38.966 38.487 -0.017 0.000 1.241 176 N HN 0.251 nan 8.380 nan 0.000 0.485 177 I N 2.160 122.737 120.570 0.011 0.000 2.761 177 I HA -0.145 4.026 4.170 0.001 0.000 0.261 177 I C 1.365 177.486 176.117 0.007 0.000 1.198 177 I CA 0.448 61.759 61.300 0.018 0.000 1.482 177 I CB -0.117 37.897 38.000 0.023 0.000 1.100 177 I HN 0.432 nan 8.210 nan 0.000 0.445 178 E N 1.005 121.201 120.200 -0.007 0.000 2.160 178 E HA -0.178 4.172 4.350 0.001 0.000 0.195 178 E C 1.254 177.837 176.600 -0.027 0.000 0.991 178 E CA 0.903 57.292 56.400 -0.019 0.000 0.810 178 E CB -0.078 29.606 29.700 -0.026 0.000 0.742 178 E HN 0.382 nan 8.360 nan 0.000 0.466 179 Q N 0.338 120.119 119.800 -0.032 0.000 2.810 179 Q HA 0.156 4.497 4.340 0.001 0.000 0.236 179 Q C 0.574 176.581 176.000 0.011 0.000 1.278 179 Q CA -0.279 55.501 55.803 -0.038 0.000 1.065 179 Q CB 0.230 28.908 28.738 -0.101 0.000 1.364 179 Q HN 0.319 nan 8.270 nan 0.000 0.570 180 M N 0.661 120.269 119.600 0.014 0.000 2.163 180 M HA -0.300 4.180 4.480 0.001 0.000 0.258 180 M C 1.480 177.852 176.300 0.120 0.000 1.071 180 M CA 2.116 57.442 55.300 0.044 0.000 1.093 180 M CB -0.713 31.876 32.600 -0.018 0.000 1.285 180 M HN 0.527 nan 8.290 nan 0.000 0.420 181 D N 0.315 120.777 120.400 0.102 0.000 2.268 181 D HA -0.253 4.387 4.640 0.001 0.000 0.189 181 D C 1.734 178.208 176.300 0.290 0.000 1.010 181 D CA 2.849 56.980 54.000 0.219 0.000 0.862 181 D CB -1.454 39.470 40.800 0.207 0.000 0.943 181 D HN 0.565 nan 8.370 nan 0.000 0.451 182 T N -1.151 113.523 114.554 0.199 0.000 2.571 182 T HA -0.232 4.119 4.350 0.001 0.000 0.255 182 T C 2.347 177.121 174.700 0.124 0.000 1.100 182 T CA 2.257 64.463 62.100 0.177 0.000 1.199 182 T CB -1.188 67.775 68.868 0.159 0.000 0.870 182 T HN 0.459 nan 8.240 nan 0.000 0.399 183 C N 0.785 120.141 119.300 0.093 0.000 2.316 183 C HA -0.281 4.179 4.460 0.001 0.000 0.261 183 C C 2.315 177.362 174.990 0.094 0.000 1.098 183 C CA 1.756 60.820 59.018 0.076 0.000 1.829 183 C CB -2.084 25.701 27.740 0.076 0.000 2.062 183 C HN 0.691 nan 8.230 nan 0.000 0.428 184 Y N 1.227 121.539 120.300 0.021 0.000 1.956 184 Y HA -0.259 4.291 4.550 0.001 0.000 0.258 184 Y C 2.295 178.179 175.900 -0.027 0.000 1.152 184 Y CA 2.656 60.769 58.100 0.021 0.000 1.093 184 Y CB -1.271 37.222 38.460 0.056 0.000 0.945 184 Y HN 0.287 nan 8.280 nan 0.000 0.488 185 V N -0.019 119.768 119.914 -0.213 0.000 2.238 185 V HA -0.535 3.585 4.120 0.001 0.000 0.253 185 V C 2.758 178.646 176.094 -0.343 0.000 1.050 185 V CA 2.221 64.280 62.300 -0.402 0.000 1.045 185 V CB -1.588 30.086 31.823 -0.247 0.000 0.670 185 V HN 0.857 nan 8.190 nan 0.000 0.469 186 C N -0.468 118.726 119.300 -0.176 0.000 2.260 186 C HA -0.334 4.127 4.460 0.001 0.000 0.258 186 C C 2.478 177.360 174.990 -0.181 0.000 1.091 186 C CA 1.907 60.842 59.018 -0.139 0.000 1.816 186 C CB -1.308 26.394 27.740 -0.062 0.000 1.941 186 C HN 0.577 nan 8.230 nan 0.000 0.412 187 I N -0.297 120.180 120.570 -0.156 0.000 2.091 187 I HA -0.322 3.848 4.170 0.001 0.000 0.240 187 I C 2.783 178.765 176.117 -0.225 0.000 1.046 187 I CA 2.091 63.298 61.300 -0.153 0.000 1.306 187 I CB -0.983 36.971 38.000 -0.077 0.000 1.018 187 I HN 0.480 nan 8.210 nan 0.000 0.404 188 R N 0.480 120.761 120.500 -0.366 0.000 2.112 188 R HA -0.218 4.123 4.340 0.001 0.000 0.242 188 R C 2.308 178.435 176.300 -0.289 0.000 1.137 188 R CA 1.636 57.486 56.100 -0.418 0.000 0.944 188 R CB -0.584 29.298 30.300 -0.698 0.000 0.857 188 R HN 0.372 nan 8.270 nan 0.000 0.435 189 L N 0.615 121.666 121.223 -0.286 0.000 1.952 189 L HA -0.317 4.024 4.340 0.001 0.000 0.231 189 L C 2.594 179.346 176.870 -0.195 0.000 1.088 189 L CA 1.597 56.305 54.840 -0.220 0.000 0.802 189 L CB -1.023 40.917 42.059 -0.199 0.000 0.903 189 L HN 0.303 nan 8.230 nan 0.000 0.439 190 L N -0.414 120.683 121.223 -0.209 0.000 2.056 190 L HA -0.409 3.931 4.340 0.001 0.000 0.237 190 L C 2.970 179.715 176.870 -0.208 0.000 1.106 190 L CA 2.159 56.852 54.840 -0.246 0.000 0.829 190 L CB -0.588 41.279 42.059 -0.319 0.000 0.924 190 L HN 0.562 nan 8.230 nan 0.000 0.447 191 Q N -0.424 119.269 119.800 -0.179 0.000 2.197 191 Q HA -0.293 4.047 4.340 0.001 0.000 0.211 191 Q C 1.872 177.831 176.000 -0.068 0.000 0.993 191 Q CA 2.207 57.947 55.803 -0.106 0.000 0.883 191 Q CB -0.233 28.466 28.738 -0.065 0.000 0.916 191 Q HN 0.614 nan 8.270 nan 0.000 0.418 192 E N 0.350 120.499 120.200 -0.086 0.000 2.153 192 E HA -0.126 4.224 4.350 0.001 0.000 0.194 192 E C 2.257 178.849 176.600 -0.014 0.000 0.988 192 E CA 0.757 57.126 56.400 -0.053 0.000 0.811 192 E CB -0.234 29.420 29.700 -0.077 0.000 0.746 192 E HN 0.452 nan 8.360 nan 0.000 0.466 193 L N 0.382 121.592 121.223 -0.022 0.000 2.027 193 L HA -0.113 4.227 4.340 0.001 0.000 0.206 193 L C 2.565 179.531 176.870 0.160 0.000 1.074 193 L CA 1.052 55.947 54.840 0.091 0.000 0.745 193 L CB -0.608 41.387 42.059 -0.107 0.000 0.898 193 L HN 0.044 nan 8.230 nan 0.000 0.433 194 A N -0.145 122.693 122.820 0.031 0.000 2.032 194 A HA -0.164 4.157 4.320 0.001 0.000 0.221 194 A C 2.305 179.910 177.584 0.035 0.000 1.165 194 A CA 1.648 53.707 52.037 0.036 0.000 0.645 194 A CB -0.863 18.132 19.000 -0.008 0.000 0.807 194 A HN 0.244 nan 8.150 nan 0.000 0.453 195 V N 0.060 119.987 119.914 0.021 0.000 2.469 195 V HA -0.190 3.931 4.120 0.001 0.000 0.251 195 V C 0.834 176.902 176.094 -0.043 0.000 1.064 195 V CA 0.917 63.216 62.300 -0.002 0.000 1.066 195 V CB -0.806 31.017 31.823 -0.001 0.000 0.667 195 V HN 0.471 nan 8.190 nan 0.000 0.461 196 I N 1.929 122.456 120.570 -0.071 0.000 2.278 196 I HA 0.166 4.336 4.170 0.001 0.000 0.300 196 I C -0.909 175.106 176.117 -0.170 0.000 1.174 196 I CA -3.426 57.715 61.300 -0.266 0.000 1.347 196 I CB -0.158 37.376 38.000 -0.776 0.000 1.473 196 I HN 0.124 nan 8.210 nan 0.000 0.595 197 P HA -0.308 nan 4.420 nan 0.000 0.224 197 P C 1.405 178.713 177.300 0.013 0.000 1.153 197 P CA 1.873 64.960 63.100 -0.022 0.000 0.947 197 P CB 0.021 31.707 31.700 -0.023 0.000 0.790 198 E N -1.096 119.071 120.200 -0.054 0.000 2.049 198 E HA -0.248 4.103 4.350 0.001 0.000 0.198 198 E C 2.133 178.812 176.600 0.132 0.000 1.007 198 E CA 1.665 58.068 56.400 0.006 0.000 0.809 198 E CB -1.808 27.867 29.700 -0.041 0.000 0.749 198 E HN 0.314 nan 8.360 nan 0.000 0.450 199 Y N 1.869 122.173 120.300 0.007 0.000 2.151 199 Y HA -0.145 4.406 4.550 0.001 0.000 0.284 199 Y C 2.645 178.579 175.900 0.055 0.000 1.166 199 Y CA 1.083 59.184 58.100 0.001 0.000 1.163 199 Y CB -0.947 37.473 38.460 -0.066 0.000 0.974 199 Y HN 0.065 nan 8.280 nan 0.000 0.511 200 R N 0.248 120.889 120.500 0.236 0.000 2.165 200 R HA -0.271 4.070 4.340 0.001 0.000 0.254 200 R C 1.633 178.093 176.300 0.266 0.000 1.153 200 R CA 2.146 58.377 56.100 0.219 0.000 0.971 200 R CB -0.737 29.687 30.300 0.206 0.000 0.878 200 R HN 0.434 nan 8.270 nan 0.000 0.449 201 D N 0.028 120.615 120.400 0.311 0.000 2.084 201 D HA -0.120 4.521 4.640 0.001 0.000 0.196 201 D C 2.000 178.452 176.300 0.253 0.000 0.985 201 D CA 1.408 55.621 54.000 0.355 0.000 0.826 201 D CB -0.342 40.665 40.800 0.344 0.000 0.978 201 D HN 0.047 nan 8.370 nan 0.000 0.456 202 V N 1.588 121.638 119.914 0.226 0.000 2.231 202 V HA -0.321 3.799 4.120 0.001 0.000 0.250 202 V C 2.427 178.694 176.094 0.287 0.000 1.058 202 V CA 1.549 63.980 62.300 0.218 0.000 1.022 202 V CB -0.926 30.997 31.823 0.166 0.000 0.640 202 V HN 0.229 nan 8.190 nan 0.000 0.445 203 I N -0.762 119.944 120.570 0.227 0.000 2.053 203 I HA -0.360 3.810 4.170 0.001 0.000 0.236 203 I C 2.530 178.900 176.117 0.420 0.000 1.038 203 I CA 2.794 64.238 61.300 0.240 0.000 1.304 203 I CB -0.754 37.296 38.000 0.083 0.000 1.023 203 I HN 0.534 nan 8.210 nan 0.000 0.395 204 W N 2.132 123.456 121.300 0.041 0.000 2.308 204 W HA -0.296 4.365 4.660 0.001 0.000 0.301 204 W C 2.489 178.944 176.519 -0.107 0.000 1.220 204 W CA 1.353 58.610 57.345 -0.146 0.000 1.240 204 W CB -0.145 28.768 29.460 -0.911 0.000 1.142 204 W HN 0.215 nan 8.180 nan 0.000 0.521 205 L N 0.871 122.058 121.223 -0.059 0.000 2.263 205 L HA -0.226 4.115 4.340 0.001 0.000 0.216 205 L C 1.475 178.035 176.870 -0.516 0.000 1.111 205 L CA 2.089 56.753 54.840 -0.292 0.000 0.773 205 L CB -1.081 40.848 42.059 -0.217 0.000 0.906 205 L HN 0.082 nan 8.230 nan 0.000 0.439 206 H N -1.269 117.742 119.070 -0.099 0.000 2.510 206 H HA 0.165 4.721 4.556 0.001 0.000 0.266 206 H C 1.131 176.284 175.328 -0.290 0.000 1.146 206 H CA 0.577 56.563 56.048 -0.103 0.000 0.993 206 H CB 0.205 29.997 29.762 0.050 0.000 1.727 206 H HN 0.482 nan 8.280 nan 0.000 0.590 207 E N 1.641 121.503 120.200 -0.562 0.000 2.208 207 E HA -0.268 4.083 4.350 0.001 0.000 0.202 207 E C 1.334 177.368 176.600 -0.943 0.000 1.014 207 E CA 1.375 57.028 56.400 -1.245 0.000 0.819 207 E CB -0.192 28.698 29.700 -1.349 0.000 0.735 207 E HN 0.203 nan 8.360 nan 0.000 0.469 208 K N 1.035 121.150 120.400 -0.475 0.000 2.520 208 K HA -0.136 4.185 4.320 0.001 0.000 0.197 208 K C 1.293 177.791 176.600 -0.170 0.000 1.044 208 K CA 1.632 57.788 56.287 -0.219 0.000 0.938 208 K CB -0.191 32.219 32.500 -0.149 0.000 0.767 208 K HN 0.382 nan 8.250 nan 0.000 0.481 209 K N -0.729 119.531 120.400 -0.233 0.000 2.344 209 K HA 0.143 4.464 4.320 0.001 0.000 0.200 209 K C 1.655 178.245 176.600 -0.018 0.000 1.132 209 K CA 0.563 56.816 56.287 -0.055 0.000 0.935 209 K CB -0.015 32.532 32.500 0.079 0.000 1.089 209 K HN 0.226 nan 8.250 nan 0.000 0.496 210 F N -0.184 119.752 119.950 -0.024 0.000 2.317 210 F HA 0.254 4.781 4.527 0.001 0.000 0.290 210 F C 2.156 177.905 175.800 -0.086 0.000 1.075 210 F CA -0.310 57.664 58.000 -0.044 0.000 1.380 210 F CB -0.661 38.316 39.000 -0.039 0.000 1.093 210 F HN -0.267 nan 8.300 nan 0.000 0.524 211 M N 1.825 121.088 119.600 -0.562 0.000 2.352 211 M HA -0.135 4.346 4.480 0.001 0.000 0.260 211 M C -0.713 175.382 176.300 -0.341 0.000 1.068 211 M CA 2.075 57.082 55.300 -0.488 0.000 1.082 211 M CB -2.075 30.175 32.600 -0.582 0.000 1.262 211 M HN -0.034 nan 8.290 nan 0.000 0.444 212 P HA -0.173 nan 4.420 nan 0.000 0.214 212 P C 1.520 178.832 177.300 0.020 0.000 1.172 212 P CA 2.426 65.517 63.100 -0.014 0.000 0.925 212 P CB -0.620 31.087 31.700 0.012 0.000 0.793 213 T N 0.484 115.032 114.554 -0.009 0.000 2.620 213 T HA -0.215 4.136 4.350 0.001 0.000 0.267 213 T C 1.823 176.515 174.700 -0.013 0.000 1.044 213 T CA 1.468 63.575 62.100 0.012 0.000 1.161 213 T CB -1.135 67.751 68.868 0.030 0.000 0.862 213 T HN 0.048 nan 8.240 nan 0.000 0.438 214 L N -0.428 120.735 121.223 -0.101 0.000 1.997 214 L HA -0.189 4.151 4.340 0.001 0.000 0.216 214 L C 2.442 179.186 176.870 -0.210 0.000 1.074 214 L CA 1.847 56.562 54.840 -0.208 0.000 0.763 214 L CB -0.806 41.024 42.059 -0.381 0.000 0.890 214 L HN 0.263 nan 8.230 nan 0.000 0.434 215 F N 0.213 120.141 119.950 -0.037 0.000 2.084 215 F HA -0.169 4.358 4.527 0.001 0.000 0.296 215 F C 2.581 178.380 175.800 -0.001 0.000 1.111 215 F CA 1.159 59.145 58.000 -0.023 0.000 1.224 215 F CB -0.725 38.241 39.000 -0.057 0.000 0.991 215 F HN -0.065 nan 8.300 nan 0.000 0.471 216 K N 0.466 120.971 120.400 0.174 0.000 2.089 216 K HA -0.228 4.093 4.320 0.001 0.000 0.210 216 K C 1.947 178.597 176.600 0.084 0.000 1.048 216 K CA 2.022 58.372 56.287 0.105 0.000 0.926 216 K CB -0.876 31.665 32.500 0.068 0.000 0.714 216 K HN 0.311 nan 8.250 nan 0.000 0.448 217 I N 1.083 121.694 120.570 0.069 0.000 2.567 217 I HA -0.238 3.933 4.170 0.001 0.000 0.257 217 I C 1.875 178.034 176.117 0.070 0.000 1.184 217 I CA 1.030 62.365 61.300 0.057 0.000 1.451 217 I CB -0.162 37.867 38.000 0.047 0.000 1.089 217 I HN 0.071 nan 8.210 nan 0.000 0.441 218 L N -1.101 120.183 121.223 0.101 0.000 2.354 218 L HA -0.028 4.312 4.340 0.001 0.000 0.212 218 L C 2.347 179.280 176.870 0.104 0.000 1.091 218 L CA 0.429 55.340 54.840 0.118 0.000 0.828 218 L CB -0.441 41.728 42.059 0.183 0.000 0.973 218 L HN 0.074 nan 8.230 nan 0.000 0.461 219 Q N 0.411 120.270 119.800 0.100 0.000 1.969 219 Q HA -0.068 4.272 4.340 0.001 0.000 0.198 219 Q C 2.209 178.239 176.000 0.050 0.000 0.978 219 Q CA 1.316 57.160 55.803 0.069 0.000 0.830 219 Q CB -0.349 28.424 28.738 0.057 0.000 0.896 219 Q HN 0.196 nan 8.270 nan 0.000 0.431 220 R N 0.297 120.824 120.500 0.045 0.000 2.227 220 R HA -0.301 4.040 4.340 0.001 0.000 0.259 220 R C 2.114 178.429 176.300 0.026 0.000 1.139 220 R CA 1.681 57.799 56.100 0.030 0.000 0.969 220 R CB -0.891 29.427 30.300 0.029 0.000 0.903 220 R HN 0.331 nan 8.270 nan 0.000 0.452 221 A N 0.077 122.919 122.820 0.036 0.000 1.854 221 A HA -0.134 4.187 4.320 0.001 0.000 0.214 221 A C 2.210 179.811 177.584 0.029 0.000 1.192 221 A CA 1.793 53.848 52.037 0.031 0.000 0.611 221 A CB -0.959 18.066 19.000 0.042 0.000 0.832 221 A HN 0.331 nan 8.150 nan 0.000 0.442 222 T N 0.458 115.036 114.554 0.039 0.000 2.883 222 T HA -0.133 4.218 4.350 0.001 0.000 0.266 222 T C 0.254 174.968 174.700 0.023 0.000 1.103 222 T CA 1.601 63.721 62.100 0.034 0.000 1.125 222 T CB -0.685 68.208 68.868 0.042 0.000 0.819 222 T HN 0.696 nan 8.240 nan 0.000 0.536 238 L N 1.414 122.521 121.223 -0.193 0.000 2.027 238 L HA 0.061 4.402 4.340 0.001 0.000 0.206 238 L C 2.624 179.334 176.870 -0.266 0.000 1.074 238 L CA 1.840 56.456 54.840 -0.375 0.000 0.745 238 L CB -0.521 41.261 42.059 -0.462 0.000 0.898 238 L HN 0.353 nan 8.230 nan 0.000 0.433 239 G N 0.081 108.774 108.800 -0.179 0.000 2.598 239 G HA2 -0.036 3.925 3.960 0.001 0.000 0.215 239 G HA3 -0.036 3.925 3.960 0.001 0.000 0.215 239 G C 1.217 176.099 174.900 -0.030 0.000 1.131 239 G CA 0.100 45.145 45.100 -0.091 0.000 0.785 239 G HN 0.410 nan 8.290 nan 0.000 0.539 240 I N -0.756 119.795 120.570 -0.032 0.000 3.889 240 I HA 0.340 4.510 4.170 0.001 0.000 0.332 240 I C 1.514 177.676 176.117 0.076 0.000 1.493 240 I CA 0.082 61.390 61.300 0.014 0.000 1.158 240 I CB 0.922 38.919 38.000 -0.006 0.000 1.117 240 I HN 0.014 nan 8.210 nan 0.000 0.411 241 Q N -0.106 119.772 119.800 0.129 0.000 2.519 241 Q HA 0.252 4.593 4.340 0.001 0.000 0.248 241 Q C 1.888 178.196 176.000 0.514 0.000 0.804 241 Q CA 0.078 56.081 55.803 0.332 0.000 0.979 241 Q CB 0.464 29.332 28.738 0.216 0.000 1.282 241 Q HN 0.335 nan 8.270 nan 0.000 0.558 242 L N 0.992 122.413 121.223 0.329 0.000 2.012 242 L HA -0.258 4.082 4.340 0.001 0.000 0.210 242 L C 1.928 178.951 176.870 0.254 0.000 1.073 242 L CA 1.975 57.036 54.840 0.369 0.000 0.748 242 L CB -0.389 41.787 42.059 0.196 0.000 0.891 242 L HN 0.451 nan 8.230 nan 0.000 0.431 243 Q N -1.422 118.487 119.800 0.182 0.000 2.014 243 Q HA -0.298 4.042 4.340 0.001 0.000 0.207 243 Q C 2.033 178.136 176.000 0.172 0.000 0.993 243 Q CA 2.346 58.234 55.803 0.141 0.000 0.850 243 Q CB -0.422 28.379 28.738 0.106 0.000 0.916 243 Q HN 0.418 nan 8.270 nan 0.000 0.417 244 Y N 1.151 121.458 120.300 0.011 0.000 2.006 244 Y HA -0.339 4.211 4.550 0.001 0.000 0.266 244 Y C 2.314 178.157 175.900 -0.096 0.000 1.133 244 Y CA 2.053 60.101 58.100 -0.086 0.000 1.098 244 Y CB -0.914 37.438 38.460 -0.181 0.000 0.969 244 Y HN 0.267 nan 8.280 nan 0.000 0.482 245 H N -0.245 118.821 119.070 -0.007 0.000 2.330 245 H HA -0.202 4.355 4.556 0.001 0.000 0.290 245 H C 2.308 177.572 175.328 -0.107 0.000 1.111 245 H CA 2.149 58.108 56.048 -0.149 0.000 1.226 245 H CB -0.881 28.862 29.762 -0.032 0.000 1.355 245 H HN 0.423 nan 8.280 nan 0.000 0.485 246 S N 1.098 116.843 115.700 0.076 0.000 2.370 246 S HA -0.115 4.356 4.470 0.001 0.000 0.226 246 S C 2.519 177.118 174.600 -0.001 0.000 1.033 246 S CA 0.893 59.108 58.200 0.026 0.000 1.011 246 S CB -0.612 62.599 63.200 0.018 0.000 0.852 246 S HN 0.237 nan 8.310 nan 0.000 0.457 247 L N 0.670 121.894 121.223 0.001 0.000 1.955 247 L HA -0.142 4.199 4.340 0.001 0.000 0.213 247 L C 2.561 179.464 176.870 0.055 0.000 1.072 247 L CA 1.172 56.036 54.840 0.040 0.000 0.755 247 L CB -0.842 41.255 42.059 0.065 0.000 0.888 247 L HN 0.272 nan 8.230 nan 0.000 0.432 248 L N 0.133 121.302 121.223 -0.091 0.000 1.997 248 L HA -0.327 4.013 4.340 0.001 0.000 0.227 248 L C 2.456 179.381 176.870 0.091 0.000 1.087 248 L CA 1.872 56.670 54.840 -0.070 0.000 0.797 248 L CB -1.102 40.734 42.059 -0.371 0.000 0.902 248 L HN 0.208 nan 8.230 nan 0.000 0.441 249 L N -1.360 119.876 121.223 0.021 0.000 2.010 249 L HA -0.343 3.997 4.340 0.001 0.000 0.219 249 L C 2.548 179.482 176.870 0.107 0.000 1.077 249 L CA 2.386 57.249 54.840 0.039 0.000 0.773 249 L CB -0.307 41.746 42.059 -0.009 0.000 0.892 249 L HN 0.370 nan 8.230 nan 0.000 0.436 250 I N -1.026 119.620 120.570 0.127 0.000 2.032 250 I HA -0.380 3.790 4.170 0.001 0.000 0.231 250 I C 2.188 178.413 176.117 0.180 0.000 1.035 250 I CA 2.367 63.763 61.300 0.159 0.000 1.312 250 I CB -0.828 37.261 38.000 0.148 0.000 1.041 250 I HN 0.490 nan 8.210 nan 0.000 0.390 251 W N 1.254 122.586 121.300 0.054 0.000 2.231 251 W HA -0.355 4.306 4.660 0.001 0.000 0.323 251 W C 2.281 178.850 176.519 0.084 0.000 1.306 251 W CA 2.099 59.486 57.345 0.070 0.000 1.323 251 W CB -0.641 28.844 29.460 0.041 0.000 1.120 251 W HN 0.112 nan 8.180 nan 0.000 0.503 252 L N -0.219 121.066 121.223 0.104 0.000 1.924 252 L HA -0.339 4.001 4.340 0.001 0.000 0.222 252 L C 2.689 179.475 176.870 -0.141 0.000 1.081 252 L CA 2.287 57.063 54.840 -0.105 0.000 0.780 252 L CB -1.453 40.638 42.059 0.053 0.000 0.891 252 L HN 0.080 nan 8.230 nan 0.000 0.434 253 L N -0.846 120.366 121.223 -0.020 0.000 2.021 253 L HA -0.256 4.084 4.340 0.001 0.000 0.215 253 L C 2.552 179.412 176.870 -0.017 0.000 1.074 253 L CA 2.061 56.907 54.840 0.010 0.000 0.760 253 L CB -2.051 39.968 42.059 -0.065 0.000 0.889 253 L HN 0.457 nan 8.230 nan 0.000 0.433 254 T N -0.485 113.996 114.554 -0.123 0.000 2.836 254 T HA -0.285 4.065 4.350 0.001 0.000 0.268 254 T C 1.546 176.151 174.700 -0.159 0.000 1.080 254 T CA 1.515 63.526 62.100 -0.148 0.000 1.128 254 T CB -0.823 67.995 68.868 -0.084 0.000 0.839 254 T HN 0.256 nan 8.240 nan 0.000 0.507 255 F N 3.282 123.029 119.950 -0.338 0.000 2.411 255 F HA -0.045 4.483 4.527 0.001 0.000 0.299 255 F C 0.821 176.478 175.800 -0.237 0.000 1.077 255 F CA 0.430 58.220 58.000 -0.350 0.000 1.439 255 F CB -0.453 38.291 39.000 -0.425 0.000 1.085 255 F HN 0.175 nan 8.300 nan 0.000 0.564 256 N N 0.643 119.165 118.700 -0.296 0.000 2.546 256 N HA 0.241 4.982 4.740 0.001 0.000 0.238 256 N C -1.971 173.284 175.510 -0.425 0.000 0.984 256 N CA -2.500 50.276 53.050 -0.457 0.000 0.935 256 N CB 1.231 39.348 38.487 -0.617 0.000 1.122 256 N HN -0.232 nan 8.380 nan 0.000 0.510 257 P HA -0.390 nan 4.420 nan 0.000 0.235 257 P C 1.113 178.284 177.300 -0.215 0.000 1.116 257 P CA 1.674 64.619 63.100 -0.258 0.000 0.991 257 P CB 0.059 31.623 31.700 -0.227 0.000 0.764 258 V N -2.264 117.478 119.914 -0.287 0.000 2.244 258 V HA -0.233 3.888 4.120 0.001 0.000 0.244 258 V C 2.343 178.390 176.094 -0.077 0.000 1.042 258 V CA 2.060 64.242 62.300 -0.198 0.000 1.006 258 V CB -1.687 29.979 31.823 -0.261 0.000 0.641 258 V HN -0.100 nan 8.190 nan 0.000 0.446 259 F N 1.532 121.314 119.950 -0.280 0.000 2.085 259 F HA -0.270 4.258 4.527 0.001 0.000 0.299 259 F C 2.626 178.148 175.800 -0.464 0.000 1.096 259 F CA 1.371 59.011 58.000 -0.602 0.000 1.227 259 F CB -1.695 36.757 39.000 -0.913 0.000 0.983 259 F HN 0.151 nan 8.300 nan 0.000 0.482 260 A N -0.044 122.690 122.820 -0.144 0.000 1.883 260 A HA -0.264 4.056 4.320 0.001 0.000 0.217 260 A C 2.247 179.767 177.584 -0.107 0.000 1.186 260 A CA 1.932 53.888 52.037 -0.134 0.000 0.624 260 A CB -1.071 17.852 19.000 -0.127 0.000 0.822 260 A HN 0.400 nan 8.150 nan 0.000 0.444 261 N N 0.001 118.655 118.700 -0.078 0.000 2.005 261 N HA -0.228 4.513 4.740 0.001 0.000 0.199 261 N C 1.612 177.112 175.510 -0.018 0.000 1.054 261 N CA 2.222 55.241 53.050 -0.051 0.000 0.864 261 N CB -0.586 37.883 38.487 -0.031 0.000 1.063 261 N HN 0.659 nan 8.380 nan 0.000 0.428 262 E N 0.781 121.032 120.200 0.085 0.000 2.055 262 E HA -0.239 4.111 4.350 0.001 0.000 0.209 262 E C 2.138 178.840 176.600 0.170 0.000 1.036 262 E CA 1.467 57.980 56.400 0.189 0.000 0.849 262 E CB -0.544 29.434 29.700 0.464 0.000 0.767 262 E HN 0.337 nan 8.360 nan 0.000 0.461 263 L N 0.815 122.203 121.223 0.275 0.000 1.987 263 L HA -0.340 4.001 4.340 0.001 0.000 0.230 263 L C 2.413 179.312 176.870 0.048 0.000 1.089 263 L CA 1.810 56.842 54.840 0.319 0.000 0.802 263 L CB -0.500 41.704 42.059 0.241 0.000 0.905 263 L HN 0.098 nan 8.230 nan 0.000 0.441 264 V N -0.791 118.976 119.914 -0.244 0.000 2.233 264 V HA -0.390 3.730 4.120 0.001 0.000 0.252 264 V C 1.734 177.692 176.094 -0.227 0.000 1.063 264 V CA 2.171 64.142 62.300 -0.548 0.000 1.032 264 V CB -0.648 30.705 31.823 -0.784 0.000 0.645 264 V HN 0.562 nan 8.190 nan 0.000 0.446 265 Q N -0.628 119.088 119.800 -0.141 0.000 2.620 265 Q HA 0.149 4.489 4.340 0.001 0.000 0.333 265 Q C 1.203 177.141 176.000 -0.105 0.000 1.017 265 Q CA 0.180 55.927 55.803 -0.093 0.000 0.962 265 Q CB 0.221 28.917 28.738 -0.070 0.000 1.297 265 Q HN 0.663 nan 8.270 nan 0.000 0.419 266 K N -1.302 119.014 120.400 -0.141 0.000 2.706 266 K HA 0.035 4.356 4.320 0.001 0.000 0.179 266 K C -0.327 176.045 176.600 -0.380 0.000 1.768 266 K CA 0.089 56.198 56.287 -0.297 0.000 1.281 266 K CB 0.801 33.047 32.500 -0.422 0.000 1.819 266 K HN 0.039 nan 8.250 nan 0.000 0.602 267 Y N 1.720 122.006 120.300 -0.023 0.000 2.699 267 Y HA 0.231 4.781 4.550 0.001 0.000 0.282 267 Y C 0.861 176.680 175.900 -0.133 0.000 1.058 267 Y CA -0.983 57.047 58.100 -0.116 0.000 1.194 267 Y CB 0.586 39.047 38.460 0.003 0.000 1.193 267 Y HN 0.079 nan 8.280 nan 0.000 0.562 268 L N 0.562 121.814 121.223 0.049 0.000 1.941 268 L HA -0.280 4.060 4.340 0.001 0.000 0.224 268 L C 2.177 179.113 176.870 0.109 0.000 1.081 268 L CA 2.454 57.350 54.840 0.094 0.000 0.784 268 L CB -1.145 40.941 42.059 0.047 0.000 0.894 268 L HN 0.322 nan 8.230 nan 0.000 0.436 269 S N 0.112 115.828 115.700 0.027 0.000 2.427 269 S HA -0.379 4.091 4.470 0.001 0.000 0.261 269 S C 1.535 176.123 174.600 -0.020 0.000 1.091 269 S CA 1.916 60.116 58.200 -0.000 0.000 1.251 269 S CB -1.815 61.367 63.200 -0.030 0.000 1.160 269 S HN 0.677 nan 8.310 nan 0.000 0.436 270 D N 1.503 121.812 120.400 -0.152 0.000 2.133 270 D HA -0.129 4.511 4.640 0.001 0.000 0.192 270 D C 1.441 177.734 176.300 -0.012 0.000 1.001 270 D CA 1.259 55.112 54.000 -0.243 0.000 0.844 270 D CB -0.548 39.687 40.800 -0.941 0.000 0.944 270 D HN 0.301 nan 8.370 nan 0.000 0.447 271 F N 1.481 121.368 119.950 -0.105 0.000 2.052 271 F HA -0.324 4.204 4.527 0.001 0.000 0.297 271 F C 1.981 177.824 175.800 0.070 0.000 1.166 271 F CA 1.570 59.613 58.000 0.073 0.000 1.218 271 F CB -0.936 38.112 39.000 0.080 0.000 0.943 271 F HN -0.065 nan 8.300 nan 0.000 0.521 272 L N 0.067 121.284 121.223 -0.010 0.000 2.230 272 L HA -0.323 4.018 4.340 0.001 0.000 0.217 272 L C 1.964 178.778 176.870 -0.092 0.000 1.090 272 L CA 1.813 56.584 54.840 -0.115 0.000 0.771 272 L CB -1.066 40.998 42.059 0.008 0.000 0.892 272 L HN 0.245 nan 8.230 nan 0.000 0.438 273 D N -0.636 119.746 120.400 -0.029 0.000 2.144 273 D HA -0.117 4.524 4.640 0.001 0.000 0.200 273 D C 2.135 178.438 176.300 0.005 0.000 0.978 273 D CA 0.601 54.602 54.000 0.001 0.000 0.833 273 D CB -0.153 40.668 40.800 0.036 0.000 0.961 273 D HN 0.021 nan 8.370 nan 0.000 0.470 274 L N 0.626 121.853 121.223 0.007 0.000 2.058 274 L HA -0.270 4.071 4.340 0.001 0.000 0.226 274 L C 2.325 179.189 176.870 -0.011 0.000 1.089 274 L CA 1.454 56.306 54.840 0.019 0.000 0.799 274 L CB -1.363 40.688 42.059 -0.014 0.000 0.900 274 L HN 0.161 nan 8.230 nan 0.000 0.442 275 L N -1.194 119.995 121.223 -0.058 0.000 1.997 275 L HA -0.373 3.967 4.340 0.001 0.000 0.227 275 L C 2.524 179.388 176.870 -0.010 0.000 1.087 275 L CA 1.941 56.756 54.840 -0.041 0.000 0.797 275 L CB -0.716 41.310 42.059 -0.055 0.000 0.902 275 L HN 0.221 nan 8.230 nan 0.000 0.441 276 K N -0.348 120.050 120.400 -0.004 0.000 2.049 276 K HA -0.259 4.062 4.320 0.001 0.000 0.219 276 K C 1.834 178.444 176.600 0.017 0.000 1.056 276 K CA 2.011 58.304 56.287 0.009 0.000 0.946 276 K CB -0.527 31.981 32.500 0.014 0.000 0.723 276 K HN 0.102 nan 8.250 nan 0.000 0.453 277 L N -0.009 121.229 121.223 0.025 0.000 2.056 277 L HA -0.142 4.198 4.340 0.001 0.000 0.207 277 L C 2.184 179.066 176.870 0.021 0.000 1.078 277 L CA 1.148 56.006 54.840 0.029 0.000 0.749 277 L CB -0.882 41.203 42.059 0.044 0.000 0.901 277 L HN -0.041 nan 8.230 nan 0.000 0.433 278 V N -0.243 119.680 119.914 0.014 0.000 2.363 278 V HA -0.388 3.732 4.120 0.001 0.000 0.254 278 V C 2.595 178.698 176.094 0.015 0.000 1.074 278 V CA 1.941 64.244 62.300 0.004 0.000 1.069 278 V CB -0.785 31.032 31.823 -0.011 0.000 0.659 278 V HN 0.449 nan 8.190 nan 0.000 0.455 279 K N -0.262 120.150 120.400 0.019 0.000 1.979 279 K HA 0.002 4.322 4.320 0.001 0.000 0.213 279 K C 2.014 178.632 176.600 0.031 0.000 1.036 279 K CA 1.627 57.931 56.287 0.029 0.000 0.954 279 K CB -0.391 32.122 32.500 0.021 0.000 0.743 279 K HN 0.317 nan 8.250 nan 0.000 0.443 280 I N 1.575 122.159 120.570 0.022 0.000 2.597 280 I HA -0.230 3.941 4.170 0.001 0.000 0.262 280 I C 0.892 177.020 176.117 0.019 0.000 1.194 280 I CA 0.780 62.091 61.300 0.019 0.000 1.437 280 I CB -0.609 37.401 38.000 0.016 0.000 1.096 280 I HN 0.197 nan 8.210 nan 0.000 0.451 281 T N 2.581 117.148 114.554 0.021 0.000 2.882 281 T HA 0.604 4.955 4.350 0.001 0.000 0.287 281 T C -0.123 174.590 174.700 0.021 0.000 1.014 281 T CA -0.120 61.990 62.100 0.017 0.000 1.049 281 T CB 1.692 70.568 68.868 0.013 0.000 1.001 281 T HN 0.267 nan 8.240 nan 0.000 0.525 282 I N -0.594 119.981 120.570 0.009 0.000 2.718 282 I HA 0.343 4.514 4.170 0.001 0.000 0.287 282 I C -1.030 175.081 176.117 -0.010 0.000 1.645 282 I CA -1.039 60.264 61.300 0.004 0.000 1.030 282 I CB 1.233 39.244 38.000 0.018 0.000 1.470 282 I HN 0.460 nan 8.210 nan 0.000 0.455 283 K N 4.550 124.933 120.400 -0.029 0.000 2.188 283 K HA 0.155 4.476 4.320 0.001 0.000 0.246 283 K C 0.018 176.585 176.600 -0.055 0.000 1.026 283 K CA -0.083 56.179 56.287 -0.043 0.000 0.871 283 K CB 0.307 32.764 32.500 -0.072 0.000 1.042 283 K HN 0.609 nan 8.250 nan 0.000 0.509 284 E N 0.867 121.033 120.200 -0.056 0.000 2.368 284 E HA -0.020 4.330 4.350 0.001 0.000 0.188 284 E C 0.283 176.806 176.600 -0.130 0.000 1.061 284 E CA 0.114 56.475 56.400 -0.064 0.000 0.933 284 E CB 0.183 29.873 29.700 -0.016 0.000 1.091 284 E HN 0.324 nan 8.360 nan 0.000 0.458 285 K N -0.064 120.219 120.400 -0.196 0.000 2.356 285 K HA 0.052 4.373 4.320 0.001 0.000 0.195 285 K C 1.600 178.038 176.600 -0.269 0.000 1.037 285 K CA 0.338 56.431 56.287 -0.323 0.000 1.014 285 K CB 0.570 32.737 32.500 -0.555 0.000 0.815 285 K HN -0.005 nan 8.250 nan 0.000 0.507 286 V N 1.689 121.507 119.914 -0.159 0.000 2.326 286 V HA -0.215 3.906 4.120 0.001 0.000 0.237 286 V C 2.371 178.454 176.094 -0.019 0.000 1.044 286 V CA 1.729 64.015 62.300 -0.023 0.000 1.035 286 V CB -0.682 31.135 31.823 -0.011 0.000 0.675 286 V HN 0.324 nan 8.190 nan 0.000 0.470 287 S N 1.217 116.892 115.700 -0.043 0.000 2.435 287 S HA -0.423 4.048 4.470 0.001 0.000 0.250 287 S C 2.025 176.578 174.600 -0.078 0.000 1.065 287 S CA 2.047 60.213 58.200 -0.058 0.000 1.243 287 S CB -0.945 62.202 63.200 -0.088 0.000 1.158 287 S HN 0.396 nan 8.310 nan 0.000 0.430 288 R N 1.307 121.733 120.500 -0.122 0.000 2.261 288 R HA -0.203 4.137 4.340 0.001 0.000 0.241 288 R C 2.401 178.638 176.300 -0.106 0.000 1.113 288 R CA 2.338 58.358 56.100 -0.133 0.000 0.908 288 R CB -1.593 28.619 30.300 -0.147 0.000 0.938 288 R HN 0.629 nan 8.270 nan 0.000 0.427 289 L N -0.107 121.060 121.223 -0.093 0.000 1.991 289 L HA -0.380 3.961 4.340 0.001 0.000 0.221 289 L C 2.874 179.759 176.870 0.024 0.000 1.079 289 L CA 2.147 56.935 54.840 -0.087 0.000 0.778 289 L CB -0.771 41.296 42.059 0.013 0.000 0.893 289 L HN 0.397 nan 8.230 nan 0.000 0.437 290 C N -0.338 118.985 119.300 0.039 0.000 2.437 290 C HA -0.235 4.226 4.460 0.001 0.000 0.284 290 C C 2.603 177.624 174.990 0.052 0.000 1.208 290 C CA 0.442 59.495 59.018 0.058 0.000 1.764 290 C CB -0.865 26.887 27.740 0.020 0.000 2.039 290 C HN 0.445 nan 8.230 nan 0.000 0.444 291 I N 1.001 121.572 120.570 0.002 0.000 2.130 291 I HA -0.264 3.907 4.170 0.001 0.000 0.241 291 I C 2.656 178.808 176.117 0.058 0.000 1.023 291 I CA 1.887 63.184 61.300 -0.004 0.000 1.293 291 I CB -1.753 36.211 38.000 -0.060 0.000 1.001 291 I HN 0.382 nan 8.210 nan 0.000 0.407 292 S N 0.160 115.905 115.700 0.075 0.000 2.398 292 S HA -0.209 4.262 4.470 0.001 0.000 0.220 292 S C 2.063 176.852 174.600 0.316 0.000 1.038 292 S CA 1.890 60.206 58.200 0.195 0.000 1.080 292 S CB -0.477 62.827 63.200 0.174 0.000 1.039 292 S HN 0.323 nan 8.310 nan 0.000 0.419 293 I N 1.408 122.229 120.570 0.417 0.000 2.141 293 I HA -0.324 3.847 4.170 0.001 0.000 0.243 293 I C 2.078 178.395 176.117 0.333 0.000 1.035 293 I CA 1.725 63.275 61.300 0.417 0.000 1.302 293 I CB -0.571 37.657 38.000 0.380 0.000 1.006 293 I HN 0.349 nan 8.210 nan 0.000 0.413 294 I N -0.247 120.466 120.570 0.238 0.000 2.087 294 I HA -0.374 3.797 4.170 0.001 0.000 0.240 294 I C 2.426 178.672 176.117 0.215 0.000 1.054 294 I CA 1.862 63.266 61.300 0.173 0.000 1.311 294 I CB -0.470 37.536 38.000 0.011 0.000 1.024 294 I HN 0.197 nan 8.210 nan 0.000 0.402 295 L N -0.456 120.862 121.223 0.157 0.000 1.989 295 L HA -0.305 4.036 4.340 0.001 0.000 0.211 295 L C 2.674 179.617 176.870 0.121 0.000 1.071 295 L CA 1.566 56.481 54.840 0.125 0.000 0.749 295 L CB -0.768 41.357 42.059 0.109 0.000 0.890 295 L HN 0.349 nan 8.230 nan 0.000 0.431 296 Q N -0.763 119.129 119.800 0.152 0.000 2.173 296 Q HA -0.273 4.068 4.340 0.001 0.000 0.208 296 Q C 2.324 178.352 176.000 0.047 0.000 0.989 296 Q CA 1.998 57.848 55.803 0.079 0.000 0.872 296 Q CB -0.310 28.474 28.738 0.076 0.000 0.909 296 Q HN 0.634 nan 8.270 nan 0.000 0.420 297 C N -1.106 118.281 119.300 0.144 0.000 2.472 297 C HA -0.012 4.448 4.460 0.001 0.000 0.278 297 C C 2.039 177.114 174.990 0.143 0.000 1.447 297 C CA -0.159 58.944 59.018 0.143 0.000 1.773 297 C CB -0.863 27.037 27.740 0.267 0.000 1.793 297 C HN 0.597 nan 8.230 nan 0.000 0.544 298 C N -0.752 118.623 119.300 0.125 0.000 3.336 298 C HA 0.208 4.669 4.460 0.001 0.000 0.291 298 C C 1.321 176.264 174.990 -0.077 0.000 1.363 298 C CA -0.513 58.563 59.018 0.098 0.000 1.737 298 C CB -1.707 26.096 27.740 0.104 0.000 2.274 298 C HN 0.566 nan 8.230 nan 0.000 0.663 299 S N 1.810 117.466 115.700 -0.073 0.000 2.542 299 S HA -0.040 4.430 4.470 0.001 0.000 0.287 299 S C 1.534 175.936 174.600 -0.329 0.000 1.315 299 S CA 0.855 58.963 58.200 -0.153 0.000 1.037 299 S CB 0.544 63.670 63.200 -0.123 0.000 0.822 299 S HN 0.629 nan 8.310 nan 0.000 0.513 300 T N 5.000 119.359 114.554 -0.326 0.000 2.760 300 T HA -0.209 4.142 4.350 0.001 0.000 0.269 300 T C 1.762 176.354 174.700 -0.179 0.000 1.047 300 T CA 1.956 63.830 62.100 -0.376 0.000 1.139 300 T CB -0.302 68.468 68.868 -0.164 0.000 0.855 300 T HN 0.734 nan 8.240 nan 0.000 0.471 301 R N 1.323 121.749 120.500 -0.123 0.000 2.062 301 R HA 0.105 4.446 4.340 0.001 0.000 0.229 301 R C 0.941 177.235 176.300 -0.010 0.000 1.128 301 R CA 0.391 56.446 56.100 -0.074 0.000 0.960 301 R CB -0.999 29.207 30.300 -0.157 0.000 0.855 301 R HN 0.303 nan 8.270 nan 0.000 0.432 302 V N 3.638 123.556 119.914 0.007 0.000 2.557 302 V HA -0.035 4.085 4.120 0.001 0.000 0.301 302 V C 0.399 176.592 176.094 0.166 0.000 1.026 302 V CA -0.361 61.964 62.300 0.043 0.000 1.137 302 V CB -0.074 31.770 31.823 0.034 0.000 0.917 302 V HN 0.234 nan 8.190 nan 0.000 0.484 303 K N 4.273 124.687 120.400 0.023 0.000 2.447 303 K HA 0.167 4.488 4.320 0.001 0.000 0.281 303 K C 0.408 176.930 176.600 -0.130 0.000 1.031 303 K CA -0.059 56.203 56.287 -0.041 0.000 1.019 303 K CB -0.017 32.451 32.500 -0.054 0.000 0.918 303 K HN 0.864 nan 8.250 nan 0.000 0.476 304 Q N 0.344 119.959 119.800 -0.308 0.000 2.435 304 Q HA -0.229 4.111 4.340 0.001 0.000 0.312 304 Q C 0.673 176.473 176.000 -0.334 0.000 1.333 304 Q CA 1.482 57.055 55.803 -0.382 0.000 0.883 304 Q CB -2.306 26.321 28.738 -0.185 0.000 1.170 304 Q HN 0.851 nan 8.270 nan 0.000 0.443 305 H N 0.117 119.182 119.070 -0.008 0.000 2.390 305 H HA -0.163 4.394 4.556 0.001 0.000 0.298 305 H C 1.706 177.049 175.328 0.024 0.000 1.106 305 H CA 1.442 57.495 56.048 0.008 0.000 1.297 305 H CB -0.144 29.626 29.762 0.013 0.000 1.375 305 H HN 0.416 nan 8.280 nan 0.000 0.509 306 K N 0.974 121.308 120.400 -0.109 0.000 2.056 306 K HA -0.245 4.076 4.320 0.001 0.000 0.225 306 K C 2.390 179.002 176.600 0.020 0.000 1.053 306 K CA 2.247 58.531 56.287 -0.005 0.000 0.966 306 K CB -0.025 32.428 32.500 -0.077 0.000 0.735 306 K HN -0.006 nan 8.250 nan 0.000 0.455 307 K N 0.382 120.769 120.400 -0.021 0.000 2.032 307 K HA -0.206 4.115 4.320 0.001 0.000 0.218 307 K C 2.014 178.644 176.600 0.051 0.000 1.054 307 K CA 2.020 58.310 56.287 0.004 0.000 0.941 307 K CB -0.950 31.541 32.500 -0.015 0.000 0.720 307 K HN 0.169 nan 8.250 nan 0.000 0.449 308 V N 3.106 123.064 119.914 0.075 0.000 2.222 308 V HA -0.358 3.763 4.120 0.001 0.000 0.252 308 V C 2.446 178.637 176.094 0.162 0.000 1.060 308 V CA 2.461 64.850 62.300 0.149 0.000 1.027 308 V CB -1.000 30.934 31.823 0.185 0.000 0.644 308 V HN 0.230 nan 8.190 nan 0.000 0.448 309 I N -0.329 120.330 120.570 0.149 0.000 2.091 309 I HA -0.323 3.848 4.170 0.001 0.000 0.240 309 I C 2.483 178.659 176.117 0.098 0.000 1.046 309 I CA 2.298 63.674 61.300 0.127 0.000 1.306 309 I CB -1.451 36.623 38.000 0.124 0.000 1.018 309 I HN 0.281 nan 8.210 nan 0.000 0.404 310 K N 1.365 121.809 120.400 0.072 0.000 1.986 310 K HA -0.256 4.065 4.320 0.001 0.000 0.230 310 K C 2.135 178.766 176.600 0.051 0.000 1.048 310 K CA 2.104 58.416 56.287 0.042 0.000 1.008 310 K CB -0.977 31.535 32.500 0.020 0.000 0.737 310 K HN 0.500 nan 8.250 nan 0.000 0.447 311 Q N 0.092 119.927 119.800 0.059 0.000 2.066 311 Q HA -0.293 4.047 4.340 0.001 0.000 0.216 311 Q C 2.154 178.203 176.000 0.082 0.000 1.035 311 Q CA 2.498 58.345 55.803 0.073 0.000 0.897 311 Q CB -0.870 27.935 28.738 0.113 0.000 1.010 311 Q HN 0.241 nan 8.270 nan 0.000 0.416 312 L N -0.223 121.064 121.223 0.106 0.000 1.978 312 L HA -0.276 4.065 4.340 0.001 0.000 0.218 312 L C 2.411 179.314 176.870 0.055 0.000 1.075 312 L CA 1.070 55.950 54.840 0.066 0.000 0.767 312 L CB -0.820 41.276 42.059 0.062 0.000 0.890 312 L HN 0.213 nan 8.230 nan 0.000 0.434 313 L N -0.651 120.617 121.223 0.075 0.000 1.956 313 L HA -0.236 4.105 4.340 0.001 0.000 0.216 313 L C 2.435 179.348 176.870 0.071 0.000 1.073 313 L CA 1.842 56.739 54.840 0.095 0.000 0.762 313 L CB -1.030 41.097 42.059 0.114 0.000 0.889 313 L HN 0.175 nan 8.230 nan 0.000 0.433 314 L N -1.383 119.865 121.223 0.042 0.000 1.976 314 L HA -0.222 4.119 4.340 0.001 0.000 0.209 314 L C 2.264 179.140 176.870 0.011 0.000 1.071 314 L CA 1.492 56.340 54.840 0.012 0.000 0.746 314 L CB -0.453 41.598 42.059 -0.014 0.000 0.890 314 L HN 0.275 nan 8.230 nan 0.000 0.432 315 L N -1.535 119.698 121.223 0.017 0.000 2.529 315 L HA 0.145 4.486 4.340 0.001 0.000 0.223 315 L C 1.611 178.492 176.870 0.018 0.000 1.113 315 L CA 0.551 55.398 54.840 0.013 0.000 0.861 315 L CB -0.069 41.997 42.059 0.012 0.000 1.012 315 L HN 0.209 nan 8.230 nan 0.000 0.461 316 G N -1.698 107.116 108.800 0.023 0.000 3.829 316 G HA2 0.060 4.021 3.960 0.001 0.000 0.279 316 G HA3 0.060 4.021 3.960 0.001 0.000 0.279 316 G C 0.017 174.923 174.900 0.010 0.000 1.008 316 G CA -0.369 44.737 45.100 0.010 0.000 0.840 316 G HN 0.223 nan 8.290 nan 0.000 0.474 317 N N 0.160 118.875 118.700 0.025 0.000 2.714 317 N HA -0.271 4.470 4.740 0.001 0.000 0.252 317 N C 1.515 177.040 175.510 0.026 0.000 1.014 317 N CA 0.846 53.916 53.050 0.033 0.000 0.735 317 N CB -1.505 36.997 38.487 0.025 0.000 0.924 317 N HN 0.543 nan 8.380 nan 0.000 0.540 318 A N 0.777 123.613 122.820 0.027 0.000 1.849 318 A HA -0.170 4.150 4.320 0.001 0.000 0.217 318 A C 2.176 179.774 177.584 0.024 0.000 1.202 318 A CA 1.649 53.695 52.037 0.015 0.000 0.629 318 A CB -0.569 18.445 19.000 0.023 0.000 0.834 318 A HN 0.381 nan 8.150 nan 0.000 0.447 319 L N -0.132 121.116 121.223 0.043 0.000 2.091 319 L HA -0.288 4.052 4.340 0.001 0.000 0.246 319 L C -0.150 176.726 176.870 0.009 0.000 1.105 319 L CA 2.998 57.855 54.840 0.028 0.000 0.840 319 L CB -1.701 40.376 42.059 0.029 0.000 0.938 319 L HN 0.275 nan 8.230 nan 0.000 0.443 320 P HA -0.244 nan 4.420 nan 0.000 0.219 320 P C 1.500 178.804 177.300 0.008 0.000 1.159 320 P CA 2.842 65.943 63.100 0.002 0.000 0.944 320 P CB -0.544 31.162 31.700 0.010 0.000 0.792 321 T N -0.035 114.526 114.554 0.012 0.000 2.624 321 T HA -0.179 4.171 4.350 0.001 0.000 0.266 321 T C 1.888 176.600 174.700 0.020 0.000 1.050 321 T CA 2.396 64.504 62.100 0.013 0.000 1.163 321 T CB -1.306 67.567 68.868 0.007 0.000 0.861 321 T HN -0.046 nan 8.240 nan 0.000 0.443 322 V N 1.423 121.348 119.914 0.018 0.000 2.379 322 V HA -0.163 3.957 4.120 0.001 0.000 0.245 322 V C 2.615 178.729 176.094 0.034 0.000 1.044 322 V CA 1.466 63.781 62.300 0.025 0.000 1.036 322 V CB -0.852 30.982 31.823 0.018 0.000 0.664 322 V HN 0.491 nan 8.190 nan 0.000 0.453 323 Q N 0.922 120.733 119.800 0.018 0.000 2.077 323 Q HA -0.221 4.119 4.340 0.001 0.000 0.206 323 Q C 2.504 178.518 176.000 0.024 0.000 0.989 323 Q CA 2.330 58.140 55.803 0.012 0.000 0.853 323 Q CB -0.427 28.306 28.738 -0.008 0.000 0.907 323 Q HN 0.754 nan 8.270 nan 0.000 0.418 324 S N 1.403 117.117 115.700 0.023 0.000 2.359 324 S HA -0.169 4.301 4.470 0.001 0.000 0.224 324 S C 2.064 176.694 174.600 0.050 0.000 1.035 324 S CA 1.288 59.503 58.200 0.024 0.000 1.018 324 S CB -0.559 62.653 63.200 0.020 0.000 0.876 324 S HN 0.231 nan 8.310 nan 0.000 0.448 325 L N 2.471 123.749 121.223 0.091 0.000 2.005 325 L HA -0.115 4.226 4.340 0.001 0.000 0.207 325 L C 2.914 179.936 176.870 0.253 0.000 1.072 325 L CA 1.363 56.325 54.840 0.204 0.000 0.744 325 L CB -1.376 40.808 42.059 0.208 0.000 0.895 325 L HN 0.488 nan 8.230 nan 0.000 0.433 326 S N 0.726 116.531 115.700 0.176 0.000 2.441 326 S HA -0.288 4.182 4.470 0.001 0.000 0.249 326 S C 0.663 175.345 174.600 0.136 0.000 1.097 326 S CA 1.798 60.093 58.200 0.160 0.000 1.080 326 S CB -1.139 62.108 63.200 0.077 0.000 0.914 326 S HN 0.672 nan 8.310 nan 0.000 0.464 327 E N 1.032 121.262 120.200 0.051 0.000 2.101 327 E HA 0.776 5.127 4.350 0.001 0.000 0.260 327 E C -0.015 176.497 176.600 -0.146 0.000 0.897 327 E CA -0.782 55.598 56.400 -0.034 0.000 0.744 327 E CB 1.235 30.920 29.700 -0.026 0.000 1.140 327 E HN 0.302 nan 8.360 nan 0.000 0.419 328 R N 1.236 121.539 120.500 -0.329 0.000 3.340 328 R HA 0.157 4.497 4.340 0.001 0.000 0.264 328 R C -1.191 174.706 176.300 -0.672 0.000 0.954 328 R CA -0.956 54.829 56.100 -0.525 0.000 0.808 328 R CB 0.793 30.720 30.300 -0.621 0.000 1.619 328 R HN 0.401 nan 8.270 nan 0.000 0.428 329 K N 1.988 121.996 120.400 -0.654 0.000 2.219 329 K HA 0.289 4.610 4.320 0.001 0.000 0.280 329 K C -1.060 175.320 176.600 -0.368 0.000 1.104 329 K CA 0.081 56.130 56.287 -0.396 0.000 0.925 329 K CB 0.247 32.635 32.500 -0.187 0.000 1.261 329 K HN 0.386 nan 8.250 nan 0.000 0.445 330 Y N 1.031 121.322 120.300 -0.015 0.000 2.511 330 Y HA 0.130 4.680 4.550 0.001 0.000 0.356 330 Y C 1.107 176.996 175.900 -0.018 0.000 1.002 330 Y CA -1.322 56.768 58.100 -0.018 0.000 1.127 330 Y CB 0.711 39.161 38.460 -0.016 0.000 1.137 330 Y HN 0.492 nan 8.280 nan 0.000 0.652 331 S N -0.607 115.156 115.700 0.105 0.000 2.421 331 S HA -0.244 4.227 4.470 0.001 0.000 0.239 331 S C 0.862 175.496 174.600 0.057 0.000 1.054 331 S CA 1.815 60.048 58.200 0.056 0.000 1.035 331 S CB -0.084 63.133 63.200 0.029 0.000 0.840 331 S HN 0.617 nan 8.310 nan 0.000 0.475 332 D N 1.715 122.156 120.400 0.068 0.000 2.508 332 D HA 0.120 4.761 4.640 0.001 0.000 0.224 332 D C 1.084 177.406 176.300 0.037 0.000 1.171 332 D CA -0.142 53.876 54.000 0.030 0.000 1.006 332 D CB 0.002 40.798 40.800 -0.007 0.000 1.073 332 D HN -0.031 nan 8.370 nan 0.000 0.513 333 E N 2.254 122.479 120.200 0.042 0.000 2.223 333 E HA -0.305 4.046 4.350 0.001 0.000 0.249 333 E C 1.405 178.016 176.600 0.019 0.000 1.008 333 E CA 1.236 57.661 56.400 0.043 0.000 0.975 333 E CB -0.102 29.615 29.700 0.027 0.000 0.901 333 E HN 0.539 nan 8.360 nan 0.000 0.537 334 E N 0.466 120.665 120.200 -0.001 0.000 2.370 334 E HA -0.279 4.071 4.350 0.001 0.000 0.232 334 E C 2.225 178.793 176.600 -0.054 0.000 1.117 334 E CA 1.359 57.747 56.400 -0.019 0.000 0.963 334 E CB -0.805 28.879 29.700 -0.026 0.000 0.810 334 E HN 0.382 nan 8.360 nan 0.000 0.464 335 L N 0.695 121.864 121.223 -0.091 0.000 1.971 335 L HA -0.286 4.055 4.340 0.001 0.000 0.215 335 L C 2.746 179.455 176.870 -0.268 0.000 1.072 335 L CA 2.002 56.711 54.840 -0.218 0.000 0.758 335 L CB -0.210 41.671 42.059 -0.297 0.000 0.889 335 L HN 0.203 nan 8.230 nan 0.000 0.433 336 R N -0.925 119.513 120.500 -0.104 0.000 2.083 336 R HA -0.209 4.131 4.340 0.001 0.000 0.237 336 R C 2.127 178.439 176.300 0.019 0.000 1.137 336 R CA 1.144 57.289 56.100 0.075 0.000 0.951 336 R CB -0.856 29.593 30.300 0.248 0.000 0.851 336 R HN 0.434 nan 8.270 nan 0.000 0.434 337 Q N 1.550 121.357 119.800 0.012 0.000 1.906 337 Q HA -0.197 4.144 4.340 0.001 0.000 0.221 337 Q C 1.842 177.839 176.000 -0.006 0.000 1.021 337 Q CA 1.911 57.719 55.803 0.010 0.000 0.880 337 Q CB -0.883 27.860 28.738 0.007 0.000 0.966 337 Q HN 0.296 nan 8.270 nan 0.000 0.418 338 D N -0.032 120.352 120.400 -0.027 0.000 2.192 338 D HA -0.208 4.432 4.640 0.001 0.000 0.189 338 D C 2.066 178.348 176.300 -0.029 0.000 1.007 338 D CA 1.492 55.477 54.000 -0.024 0.000 0.859 338 D CB -0.469 40.308 40.800 -0.038 0.000 0.936 338 D HN 0.313 nan 8.370 nan 0.000 0.447 339 I N 0.528 121.055 120.570 -0.071 0.000 2.091 339 I HA -0.318 3.853 4.170 0.001 0.000 0.239 339 I C 2.642 178.765 176.117 0.009 0.000 1.061 339 I CA 1.322 62.594 61.300 -0.046 0.000 1.317 339 I CB -0.622 37.334 38.000 -0.075 0.000 1.031 339 I HN 0.001 nan 8.210 nan 0.000 0.401 340 S N 1.175 116.892 115.700 0.027 0.000 2.372 340 S HA -0.262 4.208 4.470 0.001 0.000 0.227 340 S C 1.941 176.556 174.600 0.025 0.000 1.044 340 S CA 2.051 60.273 58.200 0.036 0.000 1.050 340 S CB -0.428 62.796 63.200 0.040 0.000 0.901 340 S HN 0.402 nan 8.310 nan 0.000 0.447 341 N N 1.140 119.852 118.700 0.020 0.000 2.069 341 N HA -0.079 4.662 4.740 0.001 0.000 0.191 341 N C 1.872 177.395 175.510 0.022 0.000 1.031 341 N CA 1.453 54.515 53.050 0.020 0.000 0.852 341 N CB -0.686 37.813 38.487 0.020 0.000 1.018 341 N HN 0.426 nan 8.380 nan 0.000 0.423 342 L N 1.627 122.863 121.223 0.021 0.000 1.990 342 L HA -0.252 4.089 4.340 0.001 0.000 0.213 342 L C 2.535 179.422 176.870 0.028 0.000 1.072 342 L CA 1.549 56.405 54.840 0.025 0.000 0.755 342 L CB -0.349 41.720 42.059 0.017 0.000 0.889 342 L HN 0.204 nan 8.230 nan 0.000 0.432 343 K N 0.125 120.540 120.400 0.024 0.000 2.030 343 K HA -0.329 3.991 4.320 0.001 0.000 0.222 343 K C 1.910 178.525 176.600 0.025 0.000 1.056 343 K CA 2.702 59.003 56.287 0.023 0.000 0.957 343 K CB -0.372 32.142 32.500 0.023 0.000 0.727 343 K HN 0.602 nan 8.250 nan 0.000 0.452 344 E N 0.512 120.727 120.200 0.025 0.000 2.035 344 E HA -0.288 4.062 4.350 0.001 0.000 0.204 344 E C 2.027 178.650 176.600 0.038 0.000 1.025 344 E CA 2.060 58.477 56.400 0.027 0.000 0.835 344 E CB -0.716 28.999 29.700 0.024 0.000 0.764 344 E HN 0.368 nan 8.360 nan 0.000 0.457 345 I N 1.613 122.206 120.570 0.039 0.000 2.094 345 I HA -0.395 3.776 4.170 0.001 0.000 0.236 345 I C 2.792 178.951 176.117 0.070 0.000 1.016 345 I CA 1.966 63.296 61.300 0.050 0.000 1.294 345 I CB -0.659 37.369 38.000 0.048 0.000 1.006 345 I HN 0.225 nan 8.210 nan 0.000 0.397 346 L N -0.438 120.827 121.223 0.071 0.000 1.941 346 L HA -0.329 4.012 4.340 0.001 0.000 0.224 346 L C 2.482 179.422 176.870 0.118 0.000 1.081 346 L CA 1.896 56.793 54.840 0.094 0.000 0.784 346 L CB -1.029 41.075 42.059 0.075 0.000 0.894 346 L HN 0.321 nan 8.230 nan 0.000 0.436 347 E N 0.173 120.416 120.200 0.071 0.000 2.160 347 E HA -0.321 4.030 4.350 0.001 0.000 0.237 347 E C 1.814 178.487 176.600 0.123 0.000 1.069 347 E CA 2.212 58.646 56.400 0.057 0.000 0.950 347 E CB -0.270 29.436 29.700 0.011 0.000 0.832 347 E HN 0.518 nan 8.360 nan 0.000 0.496 348 N N 0.637 119.392 118.700 0.091 0.000 2.019 348 N HA -0.285 4.456 4.740 0.001 0.000 0.198 348 N C 1.794 177.379 175.510 0.125 0.000 1.065 348 N CA 1.623 54.731 53.050 0.097 0.000 0.881 348 N CB -1.010 37.518 38.487 0.068 0.000 1.079 348 N HN 0.123 nan 8.380 nan 0.000 0.460 349 E N 0.460 120.726 120.200 0.109 0.000 2.217 349 E HA -0.292 4.059 4.350 0.001 0.000 0.219 349 E C 1.883 178.552 176.600 0.115 0.000 1.070 349 E CA 1.495 57.956 56.400 0.102 0.000 0.889 349 E CB -0.829 28.930 29.700 0.099 0.000 0.768 349 E HN 0.531 nan 8.360 nan 0.000 0.465 350 Y N 0.917 121.238 120.300 0.035 0.000 1.993 350 Y HA -0.386 4.165 4.550 0.001 0.000 0.267 350 Y C 2.634 178.552 175.900 0.030 0.000 1.155 350 Y CA 3.067 61.186 58.100 0.031 0.000 1.105 350 Y CB -1.197 37.280 38.460 0.028 0.000 0.960 350 Y HN 0.273 nan 8.280 nan 0.000 0.486 351 Q N 0.769 120.788 119.800 0.366 0.000 2.065 351 Q HA -0.326 4.015 4.340 0.001 0.000 0.213 351 Q C 1.498 177.540 176.000 0.071 0.000 1.012 351 Q CA 2.747 58.683 55.803 0.222 0.000 0.876 351 Q CB -0.638 28.192 28.738 0.154 0.000 0.954 351 Q HN 0.663 nan 8.270 nan 0.000 0.413 352 E N 0.147 120.377 120.200 0.050 0.000 2.499 352 E HA -0.019 4.331 4.350 0.001 0.000 0.207 352 E C -0.546 176.040 176.600 -0.024 0.000 1.175 352 E CA 0.009 56.418 56.400 0.016 0.000 0.932 352 E CB -0.265 29.450 29.700 0.026 0.000 0.906 352 E HN 0.353 nan 8.360 nan 0.000 0.556 353 L N 1.014 122.185 121.223 -0.087 0.000 2.265 353 L HA 0.226 4.566 4.340 0.001 0.000 0.288 353 L C 0.444 177.255 176.870 -0.097 0.000 1.058 353 L CA -0.129 54.618 54.840 -0.154 0.000 0.809 353 L CB 1.236 43.060 42.059 -0.393 0.000 1.179 353 L HN -0.028 nan 8.230 nan 0.000 0.429 354 T N 0.874 115.409 114.554 -0.031 0.000 2.928 354 T HA 0.164 4.514 4.350 0.001 0.000 0.284 354 T C 1.250 175.983 174.700 0.055 0.000 1.008 354 T CA -0.351 61.766 62.100 0.027 0.000 1.057 354 T CB 1.561 70.468 68.868 0.064 0.000 1.018 354 T HN 0.669 nan 8.240 nan 0.000 0.493 355 S N 2.327 118.086 115.700 0.098 0.000 2.419 355 S HA -0.071 4.400 4.470 0.001 0.000 0.233 355 S C 1.588 176.286 174.600 0.164 0.000 1.016 355 S CA 0.775 59.035 58.200 0.100 0.000 0.974 355 S CB -0.430 62.842 63.200 0.121 0.000 0.786 355 S HN 0.706 nan 8.310 nan 0.000 0.492 356 F N 3.081 123.112 119.950 0.134 0.000 2.095 356 F HA -0.193 4.335 4.527 0.001 0.000 0.298 356 F C 1.772 177.632 175.800 0.100 0.000 1.104 356 F CA 1.569 59.680 58.000 0.185 0.000 1.232 356 F CB -0.499 38.524 39.000 0.038 0.000 0.987 356 F HN 0.103 nan 8.300 nan 0.000 0.475 357 D N 0.292 120.775 120.400 0.138 0.000 2.127 357 D HA -0.289 4.352 4.640 0.001 0.000 0.190 357 D C 2.086 178.315 176.300 -0.117 0.000 1.000 357 D CA 1.811 55.811 54.000 -0.001 0.000 0.839 357 D CB -0.867 39.938 40.800 0.007 0.000 0.955 357 D HN 0.422 nan 8.370 nan 0.000 0.446 358 E N -0.088 120.056 120.200 -0.092 0.000 2.108 358 E HA -0.292 4.058 4.350 0.001 0.000 0.203 358 E C 2.118 178.599 176.600 -0.200 0.000 1.022 358 E CA 1.313 57.639 56.400 -0.123 0.000 0.823 358 E CB -0.691 28.949 29.700 -0.099 0.000 0.744 358 E HN 0.429 nan 8.360 nan 0.000 0.456 359 Y N 0.575 120.640 120.300 -0.392 0.000 2.014 359 Y HA -0.325 4.225 4.550 0.001 0.000 0.272 359 Y C 2.240 177.862 175.900 -0.464 0.000 1.164 359 Y CA 2.528 60.313 58.100 -0.525 0.000 1.114 359 Y CB -0.793 37.213 38.460 -0.757 0.000 0.961 359 Y HN 0.062 nan 8.280 nan 0.000 0.489 360 V N 0.443 120.061 119.914 -0.493 0.000 2.215 360 V HA -0.395 3.726 4.120 0.001 0.000 0.249 360 V C 2.639 178.555 176.094 -0.297 0.000 1.054 360 V CA 2.228 64.299 62.300 -0.382 0.000 1.012 360 V CB -2.183 29.480 31.823 -0.267 0.000 0.639 360 V HN 0.589 nan 8.190 nan 0.000 0.448 361 A N 1.046 123.739 122.820 -0.213 0.000 1.900 361 A HA -0.429 3.891 4.320 0.001 0.000 0.225 361 A C 2.144 179.614 177.584 -0.190 0.000 1.414 361 A CA 3.287 55.229 52.037 -0.158 0.000 0.702 361 A CB -1.098 17.829 19.000 -0.122 0.000 0.845 361 A HN 0.804 nan 8.150 nan 0.000 0.478 362 E N -0.401 119.650 120.200 -0.249 0.000 2.049 362 E HA -0.204 4.147 4.350 0.001 0.000 0.198 362 E C 2.155 178.587 176.600 -0.280 0.000 1.007 362 E CA 1.241 57.488 56.400 -0.255 0.000 0.809 362 E CB -0.516 29.020 29.700 -0.273 0.000 0.749 362 E HN 0.612 nan 8.360 nan 0.000 0.450 363 L N 1.380 122.352 121.223 -0.417 0.000 1.956 363 L HA -0.269 4.071 4.340 0.001 0.000 0.216 363 L C 2.087 178.854 176.870 -0.172 0.000 1.073 363 L CA 2.073 56.728 54.840 -0.308 0.000 0.762 363 L CB -0.460 41.402 42.059 -0.329 0.000 0.889 363 L HN 0.122 nan 8.230 nan 0.000 0.433 364 D N -0.184 120.122 120.400 -0.157 0.000 2.242 364 D HA -0.266 4.375 4.640 0.001 0.000 0.193 364 D C 2.205 178.454 176.300 -0.086 0.000 1.005 364 D CA 2.144 56.084 54.000 -0.100 0.000 0.856 364 D CB -0.311 40.435 40.800 -0.090 0.000 1.001 364 D HN 0.431 nan 8.370 nan 0.000 0.452 365 S N -0.156 115.489 115.700 -0.092 0.000 2.520 365 S HA -0.218 4.253 4.470 0.001 0.000 0.249 365 S C 0.633 175.187 174.600 -0.076 0.000 0.983 365 S CA 1.338 59.493 58.200 -0.074 0.000 0.958 365 S CB -0.460 62.697 63.200 -0.072 0.000 0.750 365 S HN 0.392 nan 8.310 nan 0.000 0.527 366 K N -0.390 119.955 120.400 -0.092 0.000 3.230 366 K HA -0.091 4.230 4.320 0.001 0.000 0.285 366 K C -0.701 175.846 176.600 -0.090 0.000 1.196 366 K CA 0.671 56.908 56.287 -0.083 0.000 0.838 366 K CB -1.826 30.639 32.500 -0.059 0.000 1.262 366 K HN 0.396 nan 8.250 nan 0.000 0.492 367 L N 2.042 123.197 121.223 -0.114 0.000 2.556 367 L HA 0.254 4.595 4.340 0.001 0.000 0.243 367 L C -0.465 176.307 176.870 -0.164 0.000 1.331 367 L CA -0.720 54.050 54.840 -0.117 0.000 0.927 367 L CB 0.637 42.641 42.059 -0.092 0.000 1.219 367 L HN 0.054 nan 8.230 nan 0.000 0.490 368 L N 0.803 121.911 121.223 -0.193 0.000 2.455 368 L HA 0.158 4.498 4.340 0.001 0.000 0.272 368 L C 0.689 177.328 176.870 -0.385 0.000 1.174 368 L CA 0.612 55.285 54.840 -0.279 0.000 0.869 368 L CB 0.832 42.736 42.059 -0.258 0.000 1.130 368 L HN 0.490 nan 8.230 nan 0.000 0.474 369 C N 1.891 120.883 119.300 -0.512 0.000 3.319 369 C HA 0.558 5.018 4.460 0.001 0.000 0.344 369 C C -0.781 173.690 174.990 -0.866 0.000 3.068 369 C CA -0.850 57.874 59.018 -0.489 0.000 1.790 369 C CB 1.240 28.851 27.740 -0.215 0.000 3.186 369 C HN 0.818 nan 8.230 nan 0.000 0.483 370 W N 1.260 122.403 121.300 -0.263 0.000 2.521 370 W HA 0.538 5.199 4.660 0.001 0.000 0.310 370 W C -0.685 175.780 176.519 -0.091 0.000 1.000 370 W CA 0.073 57.298 57.345 -0.200 0.000 1.353 370 W CB 1.251 30.654 29.460 -0.096 0.000 1.276 370 W HN 0.560 nan 8.180 nan 0.000 0.417 371 S N 2.932 118.749 115.700 0.194 0.000 2.546 371 S HA 0.397 4.868 4.470 0.001 0.000 0.272 371 S C -1.918 172.799 174.600 0.196 0.000 1.140 371 S CA -1.349 56.957 58.200 0.177 0.000 0.920 371 S CB 2.203 65.469 63.200 0.111 0.000 1.083 371 S HN 0.174 nan 8.310 nan 0.000 0.476 372 P HA -0.284 nan 4.420 nan 0.000 0.221 372 P C -1.524 175.824 177.300 0.081 0.000 0.967 372 P CA 2.516 65.684 63.100 0.113 0.000 1.038 372 P CB -2.064 29.682 31.700 0.076 0.000 0.731 373 P HA -0.242 nan 4.420 nan 0.000 0.220 373 P C 1.427 178.428 177.300 -0.499 0.000 1.155 373 P CA 2.123 65.002 63.100 -0.369 0.000 0.880 373 P CB -0.871 30.381 31.700 -0.747 0.000 0.790 374 H N -0.277 118.638 119.070 -0.259 0.000 2.289 374 H HA -0.106 4.450 4.556 0.001 0.000 0.296 374 H C 1.457 176.970 175.328 0.309 0.000 1.091 374 H CA 2.063 58.128 56.048 0.029 0.000 1.274 374 H CB -0.903 28.917 29.762 0.097 0.000 1.364 374 H HN 0.068 nan 8.280 nan 0.000 0.490 375 V N -1.040 119.111 119.914 0.395 0.000 3.415 375 V HA 0.127 4.247 4.120 0.001 0.000 0.325 375 V C -0.012 176.284 176.094 0.336 0.000 1.313 375 V CA 0.091 62.614 62.300 0.372 0.000 1.228 375 V CB -0.060 31.954 31.823 0.319 0.000 1.131 375 V HN 0.188 nan 8.190 nan 0.000 0.433 376 D N 1.133 121.752 120.400 0.365 0.000 2.477 376 D HA 0.280 4.920 4.640 0.001 0.000 0.239 376 D C 0.981 177.570 176.300 0.481 0.000 1.102 376 D CA -0.271 53.931 54.000 0.338 0.000 0.901 376 D CB 0.520 41.459 40.800 0.232 0.000 1.026 376 D HN 0.415 nan 8.370 nan 0.000 0.515 377 N N 1.367 120.326 118.700 0.431 0.000 2.182 377 N HA -0.215 4.525 4.740 0.001 0.000 0.192 377 N C 1.895 177.580 175.510 0.291 0.000 1.007 377 N CA 1.399 54.691 53.050 0.403 0.000 0.873 377 N CB 0.006 38.637 38.487 0.240 0.000 0.998 377 N HN 0.446 nan 8.380 nan 0.000 0.436 378 G N 0.619 109.547 108.800 0.212 0.000 2.433 378 G HA2 -0.292 3.668 3.960 0.001 0.000 0.216 378 G HA3 -0.292 3.668 3.960 0.001 0.000 0.216 378 G C 1.284 176.230 174.900 0.077 0.000 1.186 378 G CA 0.707 45.880 45.100 0.122 0.000 0.779 378 G HN 0.400 nan 8.290 nan 0.000 0.543 379 F N 0.469 120.408 119.950 -0.017 0.000 2.091 379 F HA -0.151 4.377 4.527 0.001 0.000 0.299 379 F C 2.368 178.028 175.800 -0.232 0.000 1.103 379 F CA 1.765 59.668 58.000 -0.162 0.000 1.228 379 F CB -0.422 38.404 39.000 -0.289 0.000 0.984 379 F HN 0.218 nan 8.300 nan 0.000 0.477 380 W N 0.885 122.007 121.300 -0.295 0.000 2.355 380 W HA -0.146 4.515 4.660 0.001 0.000 0.309 380 W C 2.766 179.077 176.519 -0.347 0.000 1.206 380 W CA 1.707 58.793 57.345 -0.432 0.000 1.284 380 W CB -1.016 28.389 29.460 -0.091 0.000 1.145 380 W HN -0.086 nan 8.180 nan 0.000 0.502 381 S N 0.126 115.842 115.700 0.026 0.000 2.493 381 S HA -0.160 4.310 4.470 0.001 0.000 0.243 381 S C 0.840 175.378 174.600 -0.103 0.000 0.991 381 S CA 1.598 59.787 58.200 -0.019 0.000 0.957 381 S CB -0.414 62.800 63.200 0.022 0.000 0.756 381 S HN 0.393 nan 8.310 nan 0.000 0.521 382 D N 0.031 120.309 120.400 -0.203 0.000 2.469 382 D HA 0.089 4.729 4.640 0.001 0.000 0.240 382 D C 0.693 176.805 176.300 -0.314 0.000 1.087 382 D CA 0.083 53.954 54.000 -0.214 0.000 0.876 382 D CB -0.389 40.312 40.800 -0.164 0.000 1.160 382 D HN 0.261 nan 8.370 nan 0.000 0.497 383 N N 0.784 119.191 118.700 -0.489 0.000 2.230 383 N HA 0.100 4.841 4.740 0.001 0.000 0.202 383 N C 1.680 177.011 175.510 -0.298 0.000 1.119 383 N CA -0.095 52.620 53.050 -0.557 0.000 0.851 383 N CB 1.395 39.459 38.487 -0.705 0.000 0.990 383 N HN 0.134 nan 8.380 nan 0.000 0.497 384 I N 1.949 122.397 120.570 -0.203 0.000 2.099 384 I HA -0.286 3.885 4.170 0.001 0.000 0.239 384 I C 1.610 177.707 176.117 -0.032 0.000 1.066 384 I CA 1.778 63.045 61.300 -0.054 0.000 1.324 384 I CB -0.088 37.845 38.000 -0.111 0.000 1.037 384 I HN -0.071 nan 8.210 nan 0.000 0.401 385 D N 0.484 120.808 120.400 -0.128 0.000 2.191 385 D HA -0.294 4.347 4.640 0.001 0.000 0.190 385 D C 2.084 178.303 176.300 -0.135 0.000 1.007 385 D CA 1.818 55.736 54.000 -0.138 0.000 0.865 385 D CB -0.363 40.351 40.800 -0.144 0.000 0.929 385 D HN 0.441 nan 8.370 nan 0.000 0.447 386 E N -0.667 119.401 120.200 -0.221 0.000 2.233 386 E HA -0.174 4.177 4.350 0.001 0.000 0.199 386 E C 1.906 178.406 176.600 -0.166 0.000 1.004 386 E CA 0.719 56.917 56.400 -0.337 0.000 0.819 386 E CB -0.276 28.873 29.700 -0.918 0.000 0.738 386 E HN 0.362 nan 8.360 nan 0.000 0.478 387 F N 0.328 120.198 119.950 -0.134 0.000 2.293 387 F HA 0.020 4.548 4.527 0.001 0.000 0.297 387 F C 1.547 177.261 175.800 -0.143 0.000 1.089 387 F CA 0.663 58.640 58.000 -0.038 0.000 1.377 387 F CB 0.089 39.047 39.000 -0.069 0.000 1.051 387 F HN -0.207 nan 8.300 nan 0.000 0.511 388 K N 1.760 122.063 120.400 -0.162 0.000 2.187 388 K HA 0.097 4.418 4.320 0.001 0.000 0.242 388 K C -0.197 176.379 176.600 -0.041 0.000 1.179 388 K CA 0.189 56.212 56.287 -0.439 0.000 1.097 388 K CB -0.016 32.155 32.500 -0.549 0.000 1.634 388 K HN -0.004 nan 8.250 nan 0.000 0.335 389 K N 0.568 121.041 120.400 0.121 0.000 3.705 389 K HA 0.216 4.537 4.320 0.001 0.000 0.259 389 K C -0.477 176.223 176.600 0.168 0.000 0.995 389 K CA -0.253 56.094 56.287 0.101 0.000 1.722 389 K CB -0.277 32.254 32.500 0.052 0.000 3.149 389 K HN 0.287 nan 8.250 nan 0.000 0.897 390 D N 2.398 122.872 120.400 0.123 0.000 2.540 390 D HA 0.048 4.688 4.640 0.001 0.000 0.237 390 D C -0.498 175.884 176.300 0.136 0.000 1.181 390 D CA 0.325 54.386 54.000 0.103 0.000 1.119 390 D CB -1.009 39.829 40.800 0.063 0.000 1.119 390 D HN 0.326 nan 8.370 nan 0.000 0.498 391 N N 1.879 120.683 118.700 0.173 0.000 2.727 391 N HA -0.275 4.466 4.740 0.001 0.000 0.251 391 N C -0.675 174.999 175.510 0.273 0.000 1.040 391 N CA 0.155 53.276 53.050 0.117 0.000 0.712 391 N CB -1.253 37.237 38.487 0.005 0.000 0.912 391 N HN 0.307 nan 8.380 nan 0.000 0.545 392 Y N -2.713 117.665 120.300 0.130 0.000 3.617 392 Y HA -0.374 4.177 4.550 0.001 0.000 0.215 392 Y C 1.731 177.755 175.900 0.206 0.000 1.178 392 Y CA 1.163 59.391 58.100 0.213 0.000 1.517 392 Y CB -2.149 36.511 38.460 0.333 0.000 1.457 392 Y HN 0.430 nan 8.280 nan 0.000 0.615 393 K N 0.394 120.955 120.400 0.268 0.000 2.066 393 K HA -0.274 4.047 4.320 0.001 0.000 0.221 393 K C 1.661 178.379 176.600 0.197 0.000 1.056 393 K CA 2.882 59.274 56.287 0.175 0.000 0.950 393 K CB -0.321 32.242 32.500 0.105 0.000 0.726 393 K HN 0.413 nan 8.250 nan 0.000 0.456 394 I N -0.117 120.572 120.570 0.198 0.000 2.145 394 I HA -0.274 3.897 4.170 0.001 0.000 0.244 394 I C 2.169 178.516 176.117 0.384 0.000 1.075 394 I CA 1.445 62.856 61.300 0.185 0.000 1.332 394 I CB -0.906 37.107 38.000 0.022 0.000 1.033 394 I HN 0.129 nan 8.210 nan 0.000 0.410 395 F N 2.391 122.541 119.950 0.335 0.000 2.051 395 F HA -0.179 4.348 4.527 0.001 0.000 0.296 395 F C 2.707 178.669 175.800 0.270 0.000 1.122 395 F CA 1.603 59.846 58.000 0.406 0.000 1.201 395 F CB -0.739 38.518 39.000 0.428 0.000 0.978 395 F HN -0.019 nan 8.300 nan 0.000 0.472 396 R N 0.012 120.623 120.500 0.186 0.000 2.119 396 R HA -0.276 4.065 4.340 0.001 0.000 0.246 396 R C 2.238 178.538 176.300 0.000 0.000 1.146 396 R CA 1.890 57.981 56.100 -0.015 0.000 0.962 396 R CB -1.084 29.239 30.300 0.039 0.000 0.863 396 R HN 0.497 nan 8.270 nan 0.000 0.442 397 Q N 1.217 121.070 119.800 0.087 0.000 2.002 397 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 397 Q C 2.239 178.286 176.000 0.078 0.000 0.988 397 Q CA 1.532 57.379 55.803 0.073 0.000 0.843 397 Q CB -0.137 28.654 28.738 0.088 0.000 0.908 397 Q HN 0.432 nan 8.270 nan 0.000 0.420 398 L N 0.456 121.785 121.223 0.178 0.000 1.963 398 L HA -0.291 4.049 4.340 0.001 0.000 0.220 398 L C 2.447 179.364 176.870 0.078 0.000 1.076 398 L CA 1.917 56.894 54.840 0.229 0.000 0.772 398 L CB -0.535 41.838 42.059 0.522 0.000 0.892 398 L HN 0.428 nan 8.230 nan 0.000 0.435 399 I N 0.059 120.593 120.570 -0.059 0.000 2.087 399 I HA -0.391 3.779 4.170 0.001 0.000 0.240 399 I C 2.402 178.479 176.117 -0.068 0.000 1.054 399 I CA 2.008 63.219 61.300 -0.148 0.000 1.311 399 I CB -0.368 37.435 38.000 -0.329 0.000 1.024 399 I HN 0.370 nan 8.210 nan 0.000 0.402 400 E N 0.886 121.055 120.200 -0.051 0.000 2.045 400 E HA -0.304 4.046 4.350 0.001 0.000 0.212 400 E C 2.207 178.795 176.600 -0.019 0.000 1.039 400 E CA 1.684 58.065 56.400 -0.032 0.000 0.860 400 E CB -0.657 29.031 29.700 -0.021 0.000 0.776 400 E HN 0.388 nan 8.360 nan 0.000 0.467 401 L N 0.838 122.056 121.223 -0.009 0.000 2.026 401 L HA -0.297 4.043 4.340 0.001 0.000 0.231 401 L C 2.485 179.351 176.870 -0.006 0.000 1.095 401 L CA 1.832 56.667 54.840 -0.009 0.000 0.810 401 L CB -0.535 41.521 42.059 -0.005 0.000 0.909 401 L HN 0.372 nan 8.230 nan 0.000 0.444 402 L N -0.220 121.005 121.223 0.003 0.000 1.997 402 L HA -0.359 3.982 4.340 0.001 0.000 0.216 402 L C 2.479 179.352 176.870 0.005 0.000 1.074 402 L CA 2.275 57.121 54.840 0.009 0.000 0.763 402 L CB -0.887 41.184 42.059 0.020 0.000 0.890 402 L HN 0.534 nan 8.230 nan 0.000 0.434 403 Q N -0.677 119.119 119.800 -0.007 0.000 2.014 403 Q HA -0.244 4.097 4.340 0.001 0.000 0.207 403 Q C 2.219 178.216 176.000 -0.004 0.000 0.993 403 Q CA 2.561 58.359 55.803 -0.008 0.000 0.850 403 Q CB -0.269 28.457 28.738 -0.020 0.000 0.916 403 Q HN 0.719 nan 8.270 nan 0.000 0.417 404 A N 1.123 123.937 122.820 -0.009 0.000 1.862 404 A HA -0.362 3.959 4.320 0.001 0.000 0.217 404 A C 1.890 179.470 177.584 -0.006 0.000 1.251 404 A CA 2.310 54.341 52.037 -0.010 0.000 0.673 404 A CB -0.896 18.095 19.000 -0.014 0.000 0.843 404 A HN 0.264 nan 8.150 nan 0.000 0.458 405 K N -0.664 119.732 120.400 -0.007 0.000 2.169 405 K HA -0.252 4.069 4.320 0.001 0.000 0.213 405 K C 1.934 178.534 176.600 -0.000 0.000 1.050 405 K CA 1.839 58.122 56.287 -0.006 0.000 0.935 405 K CB -1.552 30.945 32.500 -0.006 0.000 0.722 405 K HN 0.816 nan 8.250 nan 0.000 0.468 406 V N 0.547 120.467 119.914 0.010 0.000 2.214 406 V HA -0.380 3.740 4.120 0.001 0.000 0.247 406 V C 2.249 178.349 176.094 0.009 0.000 1.051 406 V CA 2.530 64.842 62.300 0.020 0.000 1.003 406 V CB -0.635 31.209 31.823 0.035 0.000 0.635 406 V HN 0.494 nan 8.190 nan 0.000 0.447 407 R N 2.170 122.673 120.500 0.005 0.000 2.048 407 R HA 0.030 4.370 4.340 0.001 0.000 0.224 407 R C 1.488 177.786 176.300 -0.004 0.000 1.163 407 R CA 0.632 56.732 56.100 0.001 0.000 0.956 407 R CB -1.408 28.892 30.300 0.000 0.000 0.849 407 R HN 0.729 nan 8.270 nan 0.000 0.435 408 N N 1.907 120.604 118.700 -0.006 0.000 2.036 408 N HA -0.162 4.578 4.740 0.001 0.000 0.288 408 N C 0.882 176.386 175.510 -0.010 0.000 1.293 408 N CA 1.749 54.794 53.050 -0.009 0.000 0.808 408 N CB 0.548 39.028 38.487 -0.012 0.000 1.040 408 N HN 0.639 nan 8.380 nan 0.000 0.489 409 G N 3.609 112.402 108.800 -0.010 0.000 3.403 409 G HA2 -0.465 3.495 3.960 0.001 0.000 0.226 409 G HA3 -0.465 3.495 3.960 0.001 0.000 0.226 409 G C 0.130 175.023 174.900 -0.012 0.000 1.312 409 G CA 1.717 46.810 45.100 -0.011 0.000 1.060 409 G HN 1.666 nan 8.290 nan 0.000 0.574 410 D N -0.867 119.525 120.400 -0.013 0.000 2.828 410 D HA -0.054 4.586 4.640 0.001 0.000 0.241 410 D C -0.379 175.906 176.300 -0.024 0.000 1.142 410 D CA 0.843 54.833 54.000 -0.017 0.000 0.755 410 D CB -1.544 39.249 40.800 -0.012 0.000 1.014 410 D HN 1.110 nan 8.370 nan 0.000 0.420 411 V N 2.008 121.906 119.914 -0.026 0.000 2.769 411 V HA 0.368 4.488 4.120 0.001 0.000 0.312 411 V C 0.962 177.034 176.094 -0.037 0.000 1.061 411 V CA -0.833 61.450 62.300 -0.028 0.000 0.931 411 V CB 1.888 33.700 31.823 -0.019 0.000 1.010 411 V HN 0.337 nan 8.190 nan 0.000 0.433 412 N N 1.894 120.570 118.700 -0.040 0.000 2.203 412 N HA 0.167 4.907 4.740 0.001 0.000 0.207 412 N C 0.567 176.066 175.510 -0.019 0.000 1.130 412 N CA 0.116 53.139 53.050 -0.044 0.000 0.861 412 N CB 0.891 39.338 38.487 -0.067 0.000 1.005 412 N HN 0.775 nan 8.380 nan 0.000 0.507 413 A N 1.806 124.618 122.820 -0.013 0.000 2.540 413 A HA -0.024 4.297 4.320 0.001 0.000 0.264 413 A C 1.293 178.878 177.584 0.003 0.000 1.080 413 A CA 0.051 52.085 52.037 -0.004 0.000 0.776 413 A CB 0.026 19.022 19.000 -0.005 0.000 1.011 413 A HN 0.208 nan 8.150 nan 0.000 0.514 414 K N 1.748 122.156 120.400 0.012 0.000 2.200 414 K HA -0.410 3.911 4.320 0.001 0.000 0.206 414 K C 1.833 178.447 176.600 0.023 0.000 0.782 414 K CA 2.793 59.096 56.287 0.026 0.000 1.047 414 K CB -0.762 31.756 32.500 0.030 0.000 0.989 414 K HN 0.935 nan 8.250 nan 0.000 0.595 415 Q N 0.266 120.073 119.800 0.012 0.000 1.803 415 Q HA -0.297 4.044 4.340 0.001 0.000 0.292 415 Q C 2.195 178.190 176.000 -0.008 0.000 1.038 415 Q CA 2.237 58.039 55.803 -0.001 0.000 0.889 415 Q CB -0.445 28.288 28.738 -0.009 0.000 0.979 415 Q HN 0.467 nan 8.270 nan 0.000 0.415 416 E N 0.839 121.032 120.200 -0.012 0.000 2.172 416 E HA -0.331 4.019 4.350 0.001 0.000 0.213 416 E C 1.981 178.575 176.600 -0.009 0.000 1.051 416 E CA 2.039 58.429 56.400 -0.016 0.000 0.860 416 E CB -0.144 29.546 29.700 -0.017 0.000 0.755 416 E HN 0.259 nan 8.360 nan 0.000 0.462 417 K N -0.198 120.202 120.400 -0.001 0.000 2.360 417 K HA -0.168 4.153 4.320 0.001 0.000 0.201 417 K C 1.735 178.360 176.600 0.042 0.000 1.046 417 K CA 1.021 57.317 56.287 0.014 0.000 0.945 417 K CB 0.018 32.526 32.500 0.012 0.000 0.750 417 K HN 0.156 nan 8.250 nan 0.000 0.464 418 I N 1.889 122.477 120.570 0.029 0.000 2.260 418 I HA -0.190 3.980 4.170 0.001 0.000 0.237 418 I C 2.098 178.181 176.117 -0.057 0.000 1.075 418 I CA 0.473 61.791 61.300 0.030 0.000 1.376 418 I CB -0.503 37.510 38.000 0.023 0.000 1.107 418 I HN 0.066 nan 8.210 nan 0.000 0.420 419 I N 1.146 121.664 120.570 -0.086 0.000 2.191 419 I HA -0.397 3.773 4.170 0.001 0.000 0.248 419 I C 2.433 178.503 176.117 -0.078 0.000 1.061 419 I CA 1.663 62.895 61.300 -0.113 0.000 1.329 419 I CB -1.307 36.647 38.000 -0.077 0.000 1.024 419 I HN 0.201 nan 8.210 nan 0.000 0.423 420 I N 1.569 122.125 120.570 -0.022 0.000 2.043 420 I HA -0.364 3.806 4.170 0.001 0.000 0.231 420 I C 2.946 179.077 176.117 0.024 0.000 1.024 420 I CA 2.277 63.590 61.300 0.021 0.000 1.309 420 I CB -1.542 36.493 38.000 0.059 0.000 1.030 420 I HN 0.453 nan 8.210 nan 0.000 0.389 421 Q N 1.475 121.308 119.800 0.054 0.000 2.029 421 Q HA -0.197 4.144 4.340 0.001 0.000 0.209 421 Q C 2.271 178.263 176.000 -0.013 0.000 0.999 421 Q CA 2.270 58.127 55.803 0.089 0.000 0.857 421 Q CB -1.402 27.483 28.738 0.244 0.000 0.926 421 Q HN 0.445 nan 8.270 nan 0.000 0.415 422 V N 2.156 121.924 119.914 -0.245 0.000 2.277 422 V HA -0.363 3.757 4.120 0.001 0.000 0.253 422 V C 2.650 178.682 176.094 -0.103 0.000 1.067 422 V CA 2.251 64.252 62.300 -0.498 0.000 1.047 422 V CB -1.420 29.957 31.823 -0.742 0.000 0.649 422 V HN 0.569 nan 8.190 nan 0.000 0.447 423 A N 0.097 122.900 122.820 -0.029 0.000 1.858 423 A HA -0.150 4.171 4.320 0.001 0.000 0.216 423 A C 2.190 179.840 177.584 0.111 0.000 1.190 423 A CA 2.038 54.125 52.037 0.084 0.000 0.617 423 A CB -0.684 18.353 19.000 0.062 0.000 0.827 423 A HN 0.491 nan 8.150 nan 0.000 0.443 424 L N 0.635 121.901 121.223 0.071 0.000 2.129 424 L HA -0.268 4.072 4.340 0.001 0.000 0.212 424 L C 2.547 179.459 176.870 0.069 0.000 1.087 424 L CA 1.648 56.527 54.840 0.065 0.000 0.757 424 L CB -0.785 41.297 42.059 0.040 0.000 0.896 424 L HN 0.597 nan 8.230 nan 0.000 0.434 425 N N 0.346 119.105 118.700 0.098 0.000 2.047 425 N HA -0.204 4.536 4.740 0.001 0.000 0.193 425 N C 1.453 177.069 175.510 0.176 0.000 1.055 425 N CA 2.145 55.292 53.050 0.162 0.000 0.847 425 N CB -0.221 38.413 38.487 0.244 0.000 1.038 425 N HN 0.213 nan 8.380 nan 0.000 0.427 426 D N 1.052 121.599 120.400 0.246 0.000 2.149 426 D HA -0.149 4.492 4.640 0.001 0.000 0.194 426 D C 2.131 178.446 176.300 0.024 0.000 1.001 426 D CA 0.752 54.909 54.000 0.261 0.000 0.849 426 D CB -0.488 40.765 40.800 0.755 0.000 0.939 426 D HN 0.414 nan 8.370 nan 0.000 0.449 427 I N 0.799 121.483 120.570 0.189 0.000 2.091 427 I HA -0.331 3.840 4.170 0.001 0.000 0.239 427 I C 2.314 178.427 176.117 -0.006 0.000 1.061 427 I CA 1.447 62.894 61.300 0.245 0.000 1.317 427 I CB -0.426 37.733 38.000 0.264 0.000 1.031 427 I HN 0.030 nan 8.210 nan 0.000 0.401 428 T N -0.259 114.266 114.554 -0.048 0.000 2.536 428 T HA -0.310 4.041 4.350 0.001 0.000 0.263 428 T C 1.743 176.230 174.700 -0.355 0.000 1.115 428 T CA 1.954 63.952 62.100 -0.170 0.000 1.180 428 T CB -0.798 67.965 68.868 -0.174 0.000 0.864 428 T HN 0.404 nan 8.240 nan 0.000 0.419 429 H N -0.053 118.642 119.070 -0.625 0.000 2.261 429 H HA -0.134 4.423 4.556 0.001 0.000 0.290 429 H C 2.531 177.397 175.328 -0.770 0.000 1.081 429 H CA 1.867 57.367 56.048 -0.912 0.000 1.196 429 H CB -0.956 27.626 29.762 -1.967 0.000 1.350 429 H HN 0.107 nan 8.280 nan 0.000 0.498 430 V N 0.686 120.166 119.914 -0.722 0.000 2.313 430 V HA -0.275 3.846 4.120 0.001 0.000 0.253 430 V C 2.778 178.546 176.094 -0.543 0.000 1.070 430 V CA 1.718 63.620 62.300 -0.662 0.000 1.057 430 V CB -0.636 30.632 31.823 -0.926 0.000 0.653 430 V HN 0.185 nan 8.190 nan 0.000 0.450 431 V N 0.111 119.764 119.914 -0.434 0.000 2.231 431 V HA -0.331 3.790 4.120 0.001 0.000 0.248 431 V C 2.401 178.211 176.094 -0.473 0.000 1.054 431 V CA 2.684 64.771 62.300 -0.355 0.000 1.015 431 V CB -0.666 31.017 31.823 -0.234 0.000 0.638 431 V HN 0.752 nan 8.190 nan 0.000 0.444 432 E N -0.520 119.405 120.200 -0.459 0.000 2.204 432 E HA -0.217 4.134 4.350 0.001 0.000 0.195 432 E C 2.084 178.483 176.600 -0.334 0.000 0.990 432 E CA 1.058 57.184 56.400 -0.456 0.000 0.821 432 E CB -0.211 29.311 29.700 -0.298 0.000 0.750 432 E HN 0.423 nan 8.360 nan 0.000 0.477 433 L N 0.287 121.326 121.223 -0.307 0.000 2.049 433 L HA -0.050 4.291 4.340 0.001 0.000 0.203 433 L C 1.460 178.213 176.870 -0.196 0.000 1.074 433 L CA 1.191 55.902 54.840 -0.215 0.000 0.749 433 L CB 0.008 41.942 42.059 -0.208 0.000 0.907 433 L HN 0.067 nan 8.230 nan 0.000 0.439 434 L N 0.774 121.842 121.223 -0.258 0.000 2.828 434 L HA 0.211 4.552 4.340 0.001 0.000 0.233 434 L C -1.434 175.335 176.870 -0.169 0.000 1.250 434 L CA -1.235 53.485 54.840 -0.201 0.000 1.125 434 L CB 0.074 41.964 42.059 -0.282 0.000 1.432 434 L HN 0.041 nan 8.230 nan 0.000 0.444 435 P HA -0.236 nan 4.420 nan 0.000 0.219 435 P C 1.105 178.397 177.300 -0.012 0.000 1.149 435 P CA 1.218 64.200 63.100 -0.196 0.000 0.835 435 P CB 0.351 32.097 31.700 0.077 0.000 0.778 436 E N -0.623 119.607 120.200 0.049 0.000 2.511 436 E HA -0.041 4.310 4.350 0.001 0.000 0.196 436 E C 1.851 178.568 176.600 0.194 0.000 1.066 436 E CA 0.537 57.006 56.400 0.115 0.000 0.871 436 E CB -0.766 29.009 29.700 0.125 0.000 0.863 436 E HN 0.352 nan 8.360 nan 0.000 0.520 437 S N -0.552 115.267 115.700 0.200 0.000 2.461 437 S HA -0.016 4.455 4.470 0.001 0.000 0.228 437 S C 1.995 176.779 174.600 0.307 0.000 1.005 437 S CA 0.076 58.506 58.200 0.384 0.000 0.942 437 S CB -0.281 62.987 63.200 0.113 0.000 0.776 437 S HN 0.229 nan 8.310 nan 0.000 0.514 438 I N 3.247 123.903 120.570 0.143 0.000 2.145 438 I HA -0.281 3.889 4.170 0.001 0.000 0.244 438 I C 2.210 178.382 176.117 0.091 0.000 1.075 438 I CA 1.993 63.355 61.300 0.102 0.000 1.332 438 I CB -0.988 37.042 38.000 0.051 0.000 1.033 438 I HN 0.418 nan 8.210 nan 0.000 0.410 439 D N 1.459 121.901 120.400 0.071 0.000 2.120 439 D HA -0.178 4.463 4.640 0.001 0.000 0.191 439 D C 2.230 178.542 176.300 0.020 0.000 0.994 439 D CA 1.472 55.488 54.000 0.026 0.000 0.838 439 D CB -1.027 39.773 40.800 -0.001 0.000 0.976 439 D HN 0.237 nan 8.370 nan 0.000 0.447 440 V N 1.213 121.141 119.914 0.023 0.000 2.311 440 V HA -0.279 3.841 4.120 0.001 0.000 0.256 440 V C 2.650 178.738 176.094 -0.011 0.000 1.077 440 V CA 1.521 63.818 62.300 -0.006 0.000 1.067 440 V CB -0.713 31.124 31.823 0.022 0.000 0.659 440 V HN 0.101 nan 8.190 nan 0.000 0.451 441 L N 0.218 121.472 121.223 0.051 0.000 2.012 441 L HA -0.184 4.157 4.340 0.001 0.000 0.210 441 L C 2.252 179.114 176.870 -0.013 0.000 1.073 441 L CA 2.058 56.900 54.840 0.003 0.000 0.748 441 L CB -1.199 40.908 42.059 0.080 0.000 0.891 441 L HN 0.386 nan 8.230 nan 0.000 0.431 442 D N -0.426 119.975 120.400 0.001 0.000 2.087 442 D HA -0.213 4.428 4.640 0.001 0.000 0.192 442 D C 2.024 178.310 176.300 -0.023 0.000 0.993 442 D CA 1.578 55.571 54.000 -0.012 0.000 0.828 442 D CB -0.038 40.754 40.800 -0.013 0.000 0.968 442 D HN 0.413 nan 8.370 nan 0.000 0.448 443 K N 0.493 120.876 120.400 -0.027 0.000 1.977 443 K HA -0.152 4.169 4.320 0.001 0.000 0.218 443 K C 2.330 178.907 176.600 -0.039 0.000 1.051 443 K CA 2.009 58.276 56.287 -0.033 0.000 0.953 443 K CB -0.996 31.480 32.500 -0.040 0.000 0.727 443 K HN 0.194 nan 8.250 nan 0.000 0.445 444 T N -1.735 112.787 114.554 -0.053 0.000 2.649 444 T HA -0.195 4.156 4.350 0.001 0.000 0.268 444 T C 1.850 176.521 174.700 -0.049 0.000 1.036 444 T CA 1.790 63.852 62.100 -0.063 0.000 1.157 444 T CB -0.722 68.084 68.868 -0.103 0.000 0.861 444 T HN 0.593 nan 8.240 nan 0.000 0.445 445 G N -0.057 108.717 108.800 -0.044 0.000 2.617 445 G HA2 -0.057 3.903 3.960 0.001 0.000 0.197 445 G HA3 -0.057 3.903 3.960 0.001 0.000 0.197 445 G C 1.276 176.160 174.900 -0.027 0.000 1.017 445 G CA 0.290 45.373 45.100 -0.030 0.000 0.713 445 G HN 0.873 nan 8.290 nan 0.000 0.481 446 G N 1.530 110.306 108.800 -0.040 0.000 2.556 446 G HA2 -0.325 3.636 3.960 0.001 0.000 0.220 446 G HA3 -0.325 3.636 3.960 0.001 0.000 0.220 446 G C 1.686 176.577 174.900 -0.015 0.000 1.156 446 G CA 2.196 47.277 45.100 -0.032 0.000 0.766 446 G HN 0.683 nan 8.290 nan 0.000 0.583 447 K N 1.163 121.555 120.400 -0.014 0.000 2.148 447 K HA -0.243 4.077 4.320 0.001 0.000 0.213 447 K C 2.597 179.196 176.600 -0.002 0.000 1.050 447 K CA 2.179 58.466 56.287 -0.001 0.000 0.932 447 K CB -0.854 31.644 32.500 -0.003 0.000 0.717 447 K HN 0.357 nan 8.250 nan 0.000 0.462 448 A N 0.487 123.304 122.820 -0.006 0.000 1.844 448 A HA -0.070 4.250 4.320 0.001 0.000 0.212 448 A C 1.837 179.420 177.584 -0.003 0.000 1.221 448 A CA 1.465 53.499 52.037 -0.004 0.000 0.607 448 A CB -0.807 18.190 19.000 -0.005 0.000 0.878 448 A HN 0.396 nan 8.150 nan 0.000 0.451 449 D N 0.615 121.014 120.400 -0.001 0.000 2.347 449 D HA -0.269 4.372 4.640 0.001 0.000 0.189 449 D C 1.693 177.996 176.300 0.005 0.000 1.020 449 D CA 2.238 56.242 54.000 0.007 0.000 0.875 449 D CB -0.463 40.341 40.800 0.007 0.000 0.928 449 D HN 0.534 nan 8.370 nan 0.000 0.454 450 I N 0.291 120.862 120.570 0.001 0.000 2.069 450 I HA -0.338 3.832 4.170 0.001 0.000 0.237 450 I C 2.486 178.585 176.117 -0.031 0.000 1.053 450 I CA 1.229 62.524 61.300 -0.008 0.000 1.311 450 I CB -0.642 37.359 38.000 0.002 0.000 1.030 450 I HN 0.102 nan 8.210 nan 0.000 0.398 451 M N 0.796 120.385 119.600 -0.019 0.000 2.168 451 M HA -0.267 4.213 4.480 0.001 0.000 0.248 451 M C 2.018 178.294 176.300 -0.041 0.000 1.086 451 M CA 2.115 57.403 55.300 -0.021 0.000 1.070 451 M CB -1.275 31.322 32.600 -0.006 0.000 1.332 451 M HN 0.458 nan 8.290 nan 0.000 0.399 452 E N 0.562 120.738 120.200 -0.040 0.000 2.318 452 E HA -0.007 4.344 4.350 0.001 0.000 0.193 452 E C 1.968 178.482 176.600 -0.144 0.000 0.998 452 E CA 0.597 56.970 56.400 -0.046 0.000 0.859 452 E CB -0.829 28.873 29.700 0.003 0.000 0.812 452 E HN 0.444 nan 8.360 nan 0.000 0.492 453 L N 0.980 122.093 121.223 -0.183 0.000 2.447 453 L HA -0.104 4.237 4.340 0.001 0.000 0.225 453 L C 2.272 178.644 176.870 -0.830 0.000 1.148 453 L CA 0.878 55.422 54.840 -0.492 0.000 0.808 453 L CB -0.343 41.630 42.059 -0.144 0.000 0.928 453 L HN 0.085 nan 8.230 nan 0.000 0.448 454 L N -1.470 119.536 121.223 -0.362 0.000 2.291 454 L HA -0.085 4.255 4.340 0.001 0.000 0.214 454 L C 0.787 177.547 176.870 -0.185 0.000 1.120 454 L CA 0.417 55.127 54.840 -0.217 0.000 0.799 454 L CB -0.530 41.482 42.059 -0.079 0.000 0.925 454 L HN 0.238 nan 8.230 nan 0.000 0.446 455 N N 0.406 118.989 118.700 -0.194 0.000 3.245 455 N HA 0.102 4.843 4.740 0.001 0.000 0.296 455 N C -0.444 175.190 175.510 0.208 0.000 1.254 455 N CA 0.109 53.156 53.050 -0.005 0.000 1.190 455 N CB 0.196 38.702 38.487 0.032 0.000 1.460 455 N HN 0.256 nan 8.380 nan 0.000 0.538 456 H N -0.636 118.458 119.070 0.040 0.000 2.771 456 H HA 0.367 4.923 4.556 0.001 0.000 0.344 456 H C 1.169 176.519 175.328 0.037 0.000 1.260 456 H CA -1.005 55.067 56.048 0.040 0.000 1.276 456 H CB 1.149 30.942 29.762 0.052 0.000 1.881 456 H HN 0.071 nan 8.280 nan 0.000 0.615 457 S N -1.026 114.770 115.700 0.160 0.000 2.412 457 S HA -0.025 4.445 4.470 0.001 0.000 0.223 457 S C 0.497 175.147 174.600 0.082 0.000 1.048 457 S CA 0.167 58.410 58.200 0.070 0.000 0.954 457 S CB 0.446 63.646 63.200 -0.001 0.000 0.840 457 S HN 0.609 nan 8.310 nan 0.000 0.503 458 D N 2.175 122.633 120.400 0.096 0.000 2.313 458 D HA 0.307 4.948 4.640 0.001 0.000 0.239 458 D C 0.987 177.382 176.300 0.158 0.000 1.142 458 D CA 0.047 54.111 54.000 0.106 0.000 0.847 458 D CB 1.561 42.411 40.800 0.083 0.000 1.082 458 D HN 0.196 nan 8.370 nan 0.000 0.480 459 S N 5.069 120.845 115.700 0.127 0.000 2.452 459 S HA -0.360 4.111 4.470 0.001 0.000 0.253 459 S C 1.871 176.625 174.600 0.256 0.000 1.061 459 S CA 1.148 59.433 58.200 0.142 0.000 1.273 459 S CB -0.443 62.804 63.200 0.079 0.000 1.191 459 S HN 0.640 nan 8.310 nan 0.000 0.430 460 R N 0.769 121.435 120.500 0.277 0.000 2.165 460 R HA -0.166 4.174 4.340 0.001 0.000 0.254 460 R C 2.224 178.678 176.300 0.256 0.000 1.153 460 R CA 1.966 58.270 56.100 0.341 0.000 0.971 460 R CB -0.991 29.458 30.300 0.247 0.000 0.878 460 R HN 0.493 nan 8.270 nan 0.000 0.449 461 V N 1.524 121.582 119.914 0.240 0.000 2.221 461 V HA -0.298 3.822 4.120 0.001 0.000 0.242 461 V C 2.426 178.651 176.094 0.218 0.000 1.041 461 V CA 2.167 64.617 62.300 0.250 0.000 0.995 461 V CB -0.851 31.168 31.823 0.327 0.000 0.635 461 V HN 0.452 nan 8.190 nan 0.000 0.448 462 K N 0.147 120.677 120.400 0.216 0.000 2.044 462 K HA -0.299 4.022 4.320 0.001 0.000 0.210 462 K C 2.284 178.966 176.600 0.136 0.000 1.049 462 K CA 2.418 58.728 56.287 0.038 0.000 0.927 462 K CB -0.891 31.624 32.500 0.024 0.000 0.713 462 K HN 0.460 nan 8.250 nan 0.000 0.443 463 Y N 2.823 123.150 120.300 0.045 0.000 1.974 463 Y HA -0.277 4.273 4.550 0.001 0.000 0.255 463 Y C 2.270 178.204 175.900 0.056 0.000 1.125 463 Y CA 2.205 60.332 58.100 0.045 0.000 1.085 463 Y CB -0.955 37.537 38.460 0.054 0.000 0.957 463 Y HN 0.161 nan 8.280 nan 0.000 0.484 464 E N 0.510 120.538 120.200 -0.287 0.000 2.149 464 E HA -0.332 4.019 4.350 0.001 0.000 0.215 464 E C 2.355 178.889 176.600 -0.109 0.000 1.055 464 E CA 1.826 58.049 56.400 -0.295 0.000 0.870 464 E CB -1.208 28.454 29.700 -0.063 0.000 0.764 464 E HN 0.592 nan 8.360 nan 0.000 0.463 465 A N 1.507 124.318 122.820 -0.014 0.000 1.940 465 A HA -0.167 4.154 4.320 0.001 0.000 0.219 465 A C 2.184 179.769 177.584 0.002 0.000 1.176 465 A CA 1.555 53.589 52.037 -0.004 0.000 0.631 465 A CB -0.547 18.437 19.000 -0.028 0.000 0.814 465 A HN 0.311 nan 8.150 nan 0.000 0.446 466 L N -0.262 120.985 121.223 0.040 0.000 1.973 466 L HA -0.123 4.218 4.340 0.001 0.000 0.208 466 L C 2.189 179.098 176.870 0.065 0.000 1.073 466 L CA 2.707 57.594 54.840 0.078 0.000 0.746 466 L CB -1.074 41.089 42.059 0.174 0.000 0.891 466 L HN 0.465 nan 8.230 nan 0.000 0.433 467 K N -0.093 120.342 120.400 0.059 0.000 2.160 467 K HA -0.190 4.130 4.320 0.001 0.000 0.206 467 K C 1.901 178.484 176.600 -0.028 0.000 1.047 467 K CA 1.506 57.800 56.287 0.012 0.000 0.930 467 K CB -0.036 32.401 32.500 -0.106 0.000 0.720 467 K HN 0.537 nan 8.250 nan 0.000 0.450 468 A N 0.416 123.215 122.820 -0.037 0.000 2.015 468 A HA -0.121 4.200 4.320 0.001 0.000 0.219 468 A C 2.060 179.639 177.584 -0.008 0.000 1.163 468 A CA 2.036 54.055 52.037 -0.029 0.000 0.646 468 A CB -0.595 18.398 19.000 -0.012 0.000 0.806 468 A HN 0.609 nan 8.150 nan 0.000 0.448 469 T N -1.815 112.744 114.554 0.009 0.000 2.939 469 T HA -0.077 4.274 4.350 0.001 0.000 0.254 469 T C 1.784 176.505 174.700 0.036 0.000 1.041 469 T CA 0.933 63.045 62.100 0.020 0.000 1.142 469 T CB -0.503 68.376 68.868 0.019 0.000 0.874 469 T HN 0.572 nan 8.240 nan 0.000 0.452 470 Q N 1.885 121.710 119.800 0.041 0.000 2.364 470 Q HA 0.291 4.632 4.340 0.001 0.000 0.209 470 Q C 2.314 178.354 176.000 0.066 0.000 0.977 470 Q CA 1.162 56.997 55.803 0.053 0.000 0.885 470 Q CB -0.706 28.064 28.738 0.054 0.000 0.941 470 Q HN 0.661 nan 8.270 nan 0.000 0.464 471 A N 1.522 124.371 122.820 0.048 0.000 1.840 471 A HA -0.083 4.237 4.320 0.001 0.000 0.214 471 A C 2.125 179.790 177.584 0.134 0.000 1.198 471 A CA 1.181 53.252 52.037 0.056 0.000 0.608 471 A CB -0.637 18.338 19.000 -0.042 0.000 0.839 471 A HN 0.342 nan 8.150 nan 0.000 0.443 472 I N -0.533 120.079 120.570 0.070 0.000 2.118 472 I HA -0.293 3.877 4.170 0.001 0.000 0.241 472 I C 2.239 178.453 176.117 0.162 0.000 1.070 472 I CA 1.267 62.622 61.300 0.092 0.000 1.327 472 I CB -0.599 37.425 38.000 0.040 0.000 1.034 472 I HN 0.210 nan 8.210 nan 0.000 0.405 473 I N 1.677 122.313 120.570 0.111 0.000 2.141 473 I HA -0.346 3.824 4.170 0.001 0.000 0.243 473 I C 2.554 178.755 176.117 0.139 0.000 1.035 473 I CA 2.125 63.491 61.300 0.110 0.000 1.302 473 I CB -1.410 36.647 38.000 0.095 0.000 1.006 473 I HN 0.314 nan 8.210 nan 0.000 0.413 474 G N -1.643 107.252 108.800 0.158 0.000 2.442 474 G HA2 -0.273 3.687 3.960 0.001 0.000 0.219 474 G HA3 -0.273 3.687 3.960 0.001 0.000 0.219 474 G C 1.171 176.034 174.900 -0.062 0.000 1.141 474 G CA 0.843 45.973 45.100 0.050 0.000 0.763 474 G HN 0.470 nan 8.290 nan 0.000 0.554 475 Y N 1.209 121.517 120.300 0.013 0.000 2.493 475 Y HA 0.194 4.745 4.550 0.001 0.000 0.275 475 Y C 2.510 178.386 175.900 -0.040 0.000 1.183 475 Y CA 0.380 58.479 58.100 -0.001 0.000 1.258 475 Y CB -0.346 38.109 38.460 -0.009 0.000 1.108 475 Y HN 0.177 nan 8.280 nan 0.000 0.521 476 T N -3.113 111.460 114.554 0.033 0.000 3.043 476 T HA 0.073 4.423 4.350 0.001 0.000 0.263 476 T C 0.589 175.019 174.700 -0.450 0.000 1.094 476 T CA 0.566 62.543 62.100 -0.204 0.000 1.127 476 T CB -0.166 68.531 68.868 -0.284 0.000 0.905 476 T HN -0.051 nan 8.240 nan 0.000 0.490 477 F N 1.136 121.097 119.950 0.017 0.000 2.511 477 F HA 0.599 5.126 4.527 0.001 0.000 0.340 477 F C 0.890 176.685 175.800 -0.009 0.000 1.094 477 F CA -1.856 56.144 58.000 -0.001 0.000 1.119 477 F CB 0.116 39.109 39.000 -0.012 0.000 1.775 477 F HN -0.147 nan 8.300 nan 0.000 0.536 478 K N 0.000 120.576 120.400 0.293 0.000 2.780 478 K HA 0.000 4.321 4.320 0.001 0.000 0.191 478 K CA 0.000 56.366 56.287 0.131 0.000 0.838 478 K CB 0.000 32.542 32.500 0.071 0.000 1.064 478 K HN 0.000 nan 8.250 nan 0.000 0.543