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 1asd_1_A DATA FIRST_RESID 13 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE TTKNYLGIDG IPEFGRCTQE LLFGKGSALI NDKRARTAQT DATA SEQUENCE PGGTGALRVA ADFLAKNTSV KRVWVSNPSW PNHKSVFNSA GLEVREYAYY DATA SEQUENCE DAENHTLDFD ALINSLNEAQ AGDVVLFHGC CHNPTGIDPT LEQWQTLAQL DATA SEQUENCE SVEKGWLPLF DFAYQGFARG LEEDAEGLRA FAAMHKELIV ASSYSKNFGL DATA SEQUENCE YNERVGACTL VAADSETVDR AFSQMKAAIR ANYSNPPAHG ASVVATILSN DATA SEQUENCE DALRAIWEQE LTDMRQRIQR MRQLFVNTLQ EKGANRDFSF IIKQNGMFSF DATA SEQUENCE SGLTKEQVLR LREEFGVYAV ASGRVNVAGM TPDNMAPLCE AIVAVL 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 13 M HA 0.000 nan 4.480 nan 0.000 0.227 13 M C 0.000 176.286 176.300 -0.023 0.000 1.140 13 M CA 0.000 55.147 55.300 -0.255 0.000 0.988 13 M CB 0.000 32.299 32.600 -0.502 0.000 1.302 14 F N 1.072 121.021 119.950 -0.002 0.000 2.653 14 F HA 0.370 4.897 4.527 -0.000 0.000 0.304 14 F C 1.563 177.362 175.800 -0.002 0.000 1.092 14 F CA -0.136 57.862 58.000 -0.002 0.000 1.279 14 F CB -0.438 38.561 39.000 -0.002 0.000 1.044 14 F HN 0.074 nan 8.300 nan 0.000 0.564 15 E N 0.223 120.501 120.200 0.129 0.000 2.268 15 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 15 E C 1.260 177.897 176.600 0.062 0.000 0.995 15 E CA 0.898 57.344 56.400 0.076 0.000 0.836 15 E CB -0.149 29.572 29.700 0.034 0.000 0.763 15 E HN 0.159 nan 8.360 nan 0.000 0.491 16 N N -0.040 118.699 118.700 0.065 0.000 2.187 16 N HA 0.133 4.873 4.740 -0.000 0.000 0.212 16 N C -0.353 175.183 175.510 0.043 0.000 1.152 16 N CA 0.003 53.080 53.050 0.045 0.000 0.872 16 N CB 0.778 39.286 38.487 0.035 0.000 1.025 16 N HN 0.149 nan 8.380 nan 0.000 0.514 17 I N 1.471 122.076 120.570 0.059 0.000 2.494 17 I HA -0.016 4.154 4.170 -0.000 0.000 0.289 17 I C 0.925 177.050 176.117 0.015 0.000 1.106 17 I CA 0.338 61.658 61.300 0.034 0.000 1.369 17 I CB 0.383 38.397 38.000 0.022 0.000 1.410 17 I HN -0.168 nan 8.210 nan 0.000 0.523 18 T N 5.513 120.071 114.554 0.006 0.000 2.913 18 T HA 0.498 4.848 4.350 -0.000 0.000 0.287 18 T C 0.282 174.976 174.700 -0.011 0.000 1.008 18 T CA -0.609 61.491 62.100 -0.000 0.000 1.067 18 T CB 0.848 69.716 68.868 0.000 0.000 0.996 18 T HN 0.679 nan 8.240 nan 0.000 0.513 19 A N 2.774 125.587 122.820 -0.012 0.000 2.488 19 A HA 0.586 4.906 4.320 -0.000 0.000 0.249 19 A C 0.740 178.312 177.584 -0.020 0.000 1.083 19 A CA -0.163 51.863 52.037 -0.018 0.000 0.768 19 A CB -0.432 18.560 19.000 -0.014 0.000 1.017 19 A HN 1.168 nan 8.150 nan 0.000 0.496 20 A N 4.433 127.237 122.820 -0.027 0.000 2.425 20 A HA 0.560 4.880 4.320 -0.000 0.000 0.249 20 A C -1.260 176.308 177.584 -0.026 0.000 1.084 20 A CA -0.941 51.078 52.037 -0.030 0.000 0.781 20 A CB -0.529 18.449 19.000 -0.038 0.000 1.019 20 A HN 0.821 nan 8.150 nan 0.000 0.490 21 P HA 0.401 nan 4.420 nan 0.000 0.272 21 P C -0.067 177.217 177.300 -0.026 0.000 1.230 21 P CA -0.090 62.997 63.100 -0.021 0.000 0.788 21 P CB 0.697 32.384 31.700 -0.021 0.000 0.949 22 A N 1.354 124.163 122.820 -0.017 0.000 2.466 22 A HA 0.070 4.390 4.320 -0.000 0.000 0.238 22 A C 0.236 177.803 177.584 -0.029 0.000 1.074 22 A CA -0.146 51.881 52.037 -0.017 0.000 0.774 22 A CB -0.552 18.448 19.000 -0.000 0.000 1.015 22 A HN 0.665 nan 8.150 nan 0.000 0.498 23 D N 1.482 121.860 120.400 -0.035 0.000 2.390 23 D HA 0.281 4.921 4.640 -0.000 0.000 0.249 23 D C -1.080 175.194 176.300 -0.042 0.000 1.144 23 D CA -1.169 52.797 54.000 -0.057 0.000 0.880 23 D CB 0.911 41.673 40.800 -0.063 0.000 1.182 23 D HN 0.247 nan 8.370 nan 0.000 0.451 24 P HA -0.156 nan 4.420 nan 0.000 0.218 24 P C 1.019 178.305 177.300 -0.024 0.000 1.148 24 P CA 1.248 64.326 63.100 -0.037 0.000 0.822 24 P CB 0.376 32.043 31.700 -0.054 0.000 0.784 25 I N -1.650 118.896 120.570 -0.040 0.000 2.900 25 I HA -0.026 4.144 4.170 -0.000 0.000 0.251 25 I C 2.607 178.726 176.117 0.004 0.000 1.102 25 I CA 0.319 61.613 61.300 -0.011 0.000 1.457 25 I CB -0.462 37.540 38.000 0.004 0.000 1.285 25 I HN -0.224 nan 8.210 nan 0.000 0.459 26 L N 0.846 122.066 121.223 -0.005 0.000 2.141 26 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 26 L C 2.487 179.358 176.870 0.001 0.000 1.094 26 L CA 1.370 56.211 54.840 0.001 0.000 0.763 26 L CB -0.785 41.273 42.059 -0.003 0.000 0.908 26 L HN 0.337 nan 8.230 nan 0.000 0.437 27 G N -0.349 108.451 108.800 -0.001 0.000 2.535 27 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 27 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 27 G C 1.578 176.500 174.900 0.037 0.000 1.122 27 G CA 0.255 45.362 45.100 0.012 0.000 0.769 27 G HN 0.256 nan 8.290 nan 0.000 0.549 28 L N 0.133 121.383 121.223 0.044 0.000 2.179 28 L HA 0.058 4.398 4.340 -0.000 0.000 0.208 28 L C 3.258 180.141 176.870 0.021 0.000 1.096 28 L CA 0.770 55.657 54.840 0.080 0.000 0.779 28 L CB -0.210 41.904 42.059 0.091 0.000 0.922 28 L HN 0.295 nan 8.230 nan 0.000 0.443 29 A N -0.523 122.297 122.820 -0.000 0.000 1.969 29 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 29 A C 1.913 179.512 177.584 0.025 0.000 1.169 29 A CA 1.500 53.541 52.037 0.006 0.000 0.635 29 A CB -0.353 18.644 19.000 -0.005 0.000 0.810 29 A HN 0.308 nan 8.150 nan 0.000 0.445 30 D N -0.014 120.394 120.400 0.014 0.000 2.117 30 D HA -0.111 4.529 4.640 -0.000 0.000 0.197 30 D C 1.900 178.199 176.300 -0.001 0.000 0.987 30 D CA 1.132 55.136 54.000 0.007 0.000 0.829 30 D CB -0.129 40.677 40.800 0.010 0.000 0.961 30 D HN 0.443 nan 8.370 nan 0.000 0.460 31 L N -0.382 120.850 121.223 0.016 0.000 2.072 31 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 31 L C 2.315 179.121 176.870 -0.108 0.000 1.079 31 L CA 0.508 55.369 54.840 0.035 0.000 0.752 31 L CB -0.286 41.882 42.059 0.183 0.000 0.906 31 L HN -0.035 nan 8.230 nan 0.000 0.436 32 F N 0.766 120.425 119.950 -0.485 0.000 2.146 32 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 32 F C 2.421 178.027 175.800 -0.324 0.000 1.096 32 F CA 1.435 58.976 58.000 -0.765 0.000 1.275 32 F CB -0.104 38.439 39.000 -0.762 0.000 1.008 32 F HN -0.141 nan 8.300 nan 0.000 0.480 33 R N -0.274 120.109 120.500 -0.194 0.000 2.313 33 R HA 0.184 4.524 4.340 -0.000 0.000 0.199 33 R C 1.403 177.610 176.300 -0.155 0.000 0.958 33 R CA 0.541 56.529 56.100 -0.187 0.000 1.047 33 R CB -0.234 30.039 30.300 -0.045 0.000 0.955 33 R HN 0.325 nan 8.270 nan 0.000 0.481 34 A N 0.284 123.020 122.820 -0.141 0.000 2.431 34 A HA 0.035 4.355 4.320 -0.000 0.000 0.239 34 A C -0.042 177.487 177.584 -0.092 0.000 1.230 34 A CA -0.256 51.729 52.037 -0.087 0.000 0.928 34 A CB 0.389 19.366 19.000 -0.038 0.000 1.006 34 A HN 0.025 nan 8.150 nan 0.000 0.520 35 D N 0.490 120.796 120.400 -0.157 0.000 2.312 35 D HA 0.225 4.865 4.640 -0.000 0.000 0.252 35 D C 0.737 176.947 176.300 -0.150 0.000 1.150 35 D CA -0.007 53.926 54.000 -0.111 0.000 0.870 35 D CB 0.856 41.608 40.800 -0.081 0.000 1.153 35 D HN 0.238 nan 8.370 nan 0.000 0.457 36 E N 2.589 122.741 120.200 -0.080 0.000 2.442 36 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 36 E C 0.197 176.762 176.600 -0.059 0.000 1.030 36 E CA 0.082 56.440 56.400 -0.071 0.000 0.869 36 E CB 0.399 30.073 29.700 -0.043 0.000 0.857 36 E HN 0.355 nan 8.360 nan 0.000 0.505 37 R N 2.687 123.161 120.500 -0.044 0.000 2.489 37 R HA 0.044 4.384 4.340 -0.000 0.000 0.287 37 R C -1.857 174.429 176.300 -0.024 0.000 1.053 37 R CA -0.828 55.261 56.100 -0.019 0.000 1.036 37 R CB 0.133 30.442 30.300 0.015 0.000 0.966 37 R HN -0.043 nan 8.270 nan 0.000 0.432 38 P HA 0.125 nan 4.420 nan 0.000 0.220 38 P C 0.004 177.315 177.300 0.019 0.000 1.793 38 P CA 0.189 63.286 63.100 -0.005 0.000 0.917 38 P CB 0.405 32.102 31.700 -0.005 0.000 1.755 39 G N 0.697 109.519 108.800 0.037 0.000 4.260 39 G HA2 0.011 3.971 3.960 -0.000 0.000 0.204 39 G HA3 0.011 3.971 3.960 -0.000 0.000 0.204 39 G C -0.248 174.722 174.900 0.116 0.000 0.952 39 G CA -0.599 44.543 45.100 0.069 0.000 0.815 39 G HN 0.247 nan 8.290 nan 0.000 0.465 40 K N 0.971 121.449 120.400 0.130 0.000 2.401 40 K HA 0.573 4.893 4.320 -0.000 0.000 0.278 40 K C -0.310 176.537 176.600 0.413 0.000 1.018 40 K CA 0.150 56.595 56.287 0.262 0.000 0.981 40 K CB 1.100 33.717 32.500 0.195 0.000 0.933 40 K HN 0.136 nan 8.250 nan 0.000 0.477 41 I N 2.230 123.053 120.570 0.422 0.000 2.406 41 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 41 I C 1.026 177.221 176.117 0.131 0.000 0.999 41 I CA -0.585 60.866 61.300 0.253 0.000 1.124 41 I CB 1.690 39.768 38.000 0.129 0.000 1.289 41 I HN 0.829 nan 8.210 nan 0.000 0.441 42 N N 4.159 122.695 118.700 -0.273 0.000 2.132 42 N HA -0.095 4.645 4.740 -0.000 0.000 0.187 42 N C 0.980 176.338 175.510 -0.254 0.000 1.038 42 N CA 0.734 53.389 53.050 -0.659 0.000 0.846 42 N CB 0.167 38.061 38.487 -0.988 0.000 1.012 42 N HN 0.500 nan 8.380 nan 0.000 0.429 43 L N -0.499 120.628 121.223 -0.159 0.000 4.605 43 L HA -0.273 4.067 4.340 -0.000 0.000 0.441 43 L C 1.199 178.056 176.870 -0.023 0.000 1.115 43 L CA 1.415 56.211 54.840 -0.074 0.000 0.959 43 L CB -1.788 40.239 42.059 -0.054 0.000 1.867 43 L HN 0.454 nan 8.230 nan 0.000 0.980 44 G N -1.166 107.608 108.800 -0.043 0.000 2.695 44 G HA2 0.193 4.153 3.960 -0.000 0.000 0.219 44 G HA3 0.193 4.153 3.960 -0.000 0.000 0.219 44 G C 0.517 175.433 174.900 0.027 0.000 1.295 44 G CA 0.336 45.433 45.100 -0.004 0.000 0.882 44 G HN 0.231 nan 8.290 nan 0.000 0.570 45 I N 1.961 122.536 120.570 0.009 0.000 2.634 45 I HA 0.462 4.632 4.170 -0.000 0.000 0.284 45 I C 0.993 177.195 176.117 0.141 0.000 1.124 45 I CA -0.165 61.174 61.300 0.066 0.000 1.417 45 I CB 1.168 39.169 38.000 0.002 0.000 1.396 45 I HN 0.148 nan 8.210 nan 0.000 0.571 46 G N 7.257 116.234 108.800 0.296 0.000 2.865 46 G HA2 0.433 4.393 3.960 -0.000 0.000 0.292 46 G HA3 0.433 4.393 3.960 -0.000 0.000 0.292 46 G C -0.733 174.212 174.900 0.074 0.000 0.800 46 G CA -0.194 45.082 45.100 0.293 0.000 1.838 46 G HN 0.415 nan 8.290 nan 0.000 0.535 47 V N 2.851 122.733 119.914 -0.054 0.000 2.588 47 V HA 0.294 4.414 4.120 -0.000 0.000 0.304 47 V C -0.570 175.510 176.094 -0.022 0.000 1.042 47 V CA -1.210 60.961 62.300 -0.215 0.000 0.877 47 V CB 1.744 33.304 31.823 -0.439 0.000 0.996 47 V HN 0.646 nan 8.190 nan 0.000 0.425 48 Y N 4.998 125.319 120.300 0.036 0.000 2.480 48 Y HA 0.426 4.976 4.550 -0.000 0.000 0.338 48 Y C 0.181 176.102 175.900 0.035 0.000 1.220 48 Y CA 0.252 58.394 58.100 0.070 0.000 1.430 48 Y CB 0.593 39.173 38.460 0.200 0.000 1.311 48 Y HN 0.574 nan 8.280 nan 0.000 0.575 49 K N 4.254 124.212 120.400 -0.738 0.000 2.375 49 K HA 0.248 4.568 4.320 -0.000 0.000 0.249 49 K C -1.076 174.908 176.600 -1.027 0.000 0.942 49 K CA -0.978 54.927 56.287 -0.636 0.000 0.806 49 K CB 1.176 33.474 32.500 -0.336 0.000 1.227 49 K HN 0.779 nan 8.250 nan 0.000 0.430 50 D N 0.916 121.006 120.400 -0.517 0.000 2.506 50 D HA -0.038 4.602 4.640 -0.000 0.000 0.272 50 D C 0.897 177.103 176.300 -0.156 0.000 1.214 50 D CA -0.247 53.592 54.000 -0.268 0.000 1.067 50 D CB 0.426 41.224 40.800 -0.002 0.000 1.117 50 D HN 0.564 nan 8.370 nan 0.000 0.578 51 E N -0.658 119.508 120.200 -0.057 0.000 2.331 51 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 51 E C 1.237 177.817 176.600 -0.033 0.000 1.008 51 E CA 1.662 58.041 56.400 -0.037 0.000 0.843 51 E CB -1.042 28.656 29.700 -0.004 0.000 0.761 51 E HN 0.613 nan 8.360 nan 0.000 0.507 52 T N -3.674 110.861 114.554 -0.031 0.000 3.086 52 T HA 0.422 4.772 4.350 -0.000 0.000 0.250 52 T C 1.408 176.091 174.700 -0.028 0.000 1.074 52 T CA 0.386 62.475 62.100 -0.019 0.000 0.988 52 T CB 0.222 69.088 68.868 -0.004 0.000 0.988 52 T HN 0.356 nan 8.240 nan 0.000 0.530 53 G N 1.415 110.180 108.800 -0.058 0.000 2.136 53 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.242 53 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.242 53 G C -0.120 174.747 174.900 -0.054 0.000 0.989 53 G CA -0.168 44.894 45.100 -0.064 0.000 0.682 53 G HN 0.556 nan 8.290 nan 0.000 0.522 54 K N 0.512 120.883 120.400 -0.048 0.000 2.156 54 K HA 0.621 4.941 4.320 -0.000 0.000 0.254 54 K C -0.112 176.475 176.600 -0.020 0.000 0.950 54 K CA -0.401 55.875 56.287 -0.018 0.000 0.849 54 K CB 1.499 34.005 32.500 0.010 0.000 1.100 54 K HN 0.061 nan 8.250 nan 0.000 0.434 55 T N 4.874 119.437 114.554 0.014 0.000 2.910 55 T HA 0.259 4.609 4.350 -0.000 0.000 0.323 55 T C -1.873 172.907 174.700 0.133 0.000 1.091 55 T CA -1.164 60.984 62.100 0.079 0.000 0.960 55 T CB 0.524 69.424 68.868 0.055 0.000 1.024 55 T HN 0.358 nan 8.240 nan 0.000 0.509 56 P HA 0.361 nan 4.420 nan 0.000 0.279 56 P C -0.337 177.065 177.300 0.170 0.000 1.252 56 P CA -0.607 62.579 63.100 0.144 0.000 0.811 56 P CB 1.198 32.974 31.700 0.127 0.000 1.035 57 V N 4.012 124.007 119.914 0.135 0.000 2.455 57 V HA 0.125 4.245 4.120 -0.000 0.000 0.273 57 V C 0.463 176.626 176.094 0.114 0.000 1.045 57 V CA -0.595 61.784 62.300 0.132 0.000 0.976 57 V CB -0.608 31.282 31.823 0.113 0.000 0.993 57 V HN 0.360 nan 8.190 nan 0.000 0.475 58 L N 5.968 127.262 121.223 0.117 0.000 2.536 58 L HA 0.015 4.355 4.340 -0.000 0.000 0.294 58 L C 1.857 178.776 176.870 0.081 0.000 1.257 58 L CA 0.473 55.371 54.840 0.096 0.000 0.850 58 L CB 0.029 42.150 42.059 0.104 0.000 1.105 58 L HN 0.758 nan 8.230 nan 0.000 0.517 59 T N -0.673 113.920 114.554 0.064 0.000 2.821 59 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 59 T C 1.904 176.638 174.700 0.057 0.000 1.046 59 T CA 1.471 63.603 62.100 0.054 0.000 1.139 59 T CB -0.068 68.823 68.868 0.038 0.000 0.871 59 T HN 0.861 nan 8.240 nan 0.000 0.454 60 S N 1.991 117.732 115.700 0.070 0.000 2.402 60 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 60 S C 2.310 176.949 174.600 0.065 0.000 1.021 60 S CA 1.079 59.324 58.200 0.074 0.000 0.974 60 S CB -0.904 62.371 63.200 0.124 0.000 0.800 60 S HN 0.509 nan 8.310 nan 0.000 0.484 61 V N -0.738 119.224 119.914 0.081 0.000 2.788 61 V HA 0.253 4.373 4.120 -0.000 0.000 0.251 61 V C 2.326 178.449 176.094 0.049 0.000 1.068 61 V CA 1.534 63.870 62.300 0.059 0.000 1.090 61 V CB -0.834 31.038 31.823 0.082 0.000 0.710 61 V HN 0.265 nan 8.190 nan 0.000 0.467 62 K N 1.069 121.506 120.400 0.062 0.000 2.097 62 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 62 K C 2.154 178.790 176.600 0.060 0.000 1.050 62 K CA 1.625 57.950 56.287 0.064 0.000 0.938 62 K CB -0.360 32.177 32.500 0.062 0.000 0.718 62 K HN 0.557 nan 8.250 nan 0.000 0.442 63 K N -0.734 119.698 120.400 0.053 0.000 2.103 63 K HA 0.017 4.337 4.320 -0.000 0.000 0.204 63 K C 2.004 178.643 176.600 0.066 0.000 1.052 63 K CA 0.989 57.309 56.287 0.055 0.000 0.945 63 K CB -0.057 32.468 32.500 0.042 0.000 0.722 63 K HN 0.152 nan 8.250 nan 0.000 0.443 64 A N 1.652 124.493 122.820 0.035 0.000 1.930 64 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 64 A C 1.831 179.454 177.584 0.066 0.000 1.175 64 A CA 1.332 53.378 52.037 0.016 0.000 0.627 64 A CB -0.285 18.681 19.000 -0.055 0.000 0.815 64 A HN 0.260 nan 8.150 nan 0.000 0.443 65 E N -0.743 119.486 120.200 0.049 0.000 2.106 65 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 65 E C 2.227 178.893 176.600 0.110 0.000 0.984 65 E CA 0.897 57.349 56.400 0.087 0.000 0.806 65 E CB -0.116 29.660 29.700 0.126 0.000 0.750 65 E HN 0.498 nan 8.360 nan 0.000 0.458 66 Q N 0.119 119.978 119.800 0.098 0.000 2.061 66 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 66 Q C 1.961 178.015 176.000 0.091 0.000 0.984 66 Q CA 1.459 57.312 55.803 0.083 0.000 0.846 66 Q CB -0.464 28.321 28.738 0.079 0.000 0.902 66 Q HN 0.418 nan 8.270 nan 0.000 0.421 67 Y N 0.537 120.839 120.300 0.002 0.000 2.128 67 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 67 Y C 2.039 177.936 175.900 -0.005 0.000 1.154 67 Y CA 1.381 59.478 58.100 -0.005 0.000 1.149 67 Y CB -0.311 38.139 38.460 -0.016 0.000 0.976 67 Y HN 0.081 nan 8.280 nan 0.000 0.505 68 L N -0.426 120.882 121.223 0.141 0.000 2.042 68 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 68 L C 2.372 179.241 176.870 -0.001 0.000 1.076 68 L CA 1.433 56.315 54.840 0.069 0.000 0.749 68 L CB -1.444 40.674 42.059 0.099 0.000 0.893 68 L HN 0.395 nan 8.230 nan 0.000 0.432 69 L N 0.165 121.398 121.223 0.016 0.000 2.012 69 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 69 L C 2.533 179.372 176.870 -0.053 0.000 1.073 69 L CA 2.048 56.886 54.840 -0.004 0.000 0.748 69 L CB -0.740 41.327 42.059 0.012 0.000 0.891 69 L HN 0.612 nan 8.230 nan 0.000 0.431 70 E N -2.183 117.959 120.200 -0.097 0.000 2.385 70 E HA -0.095 4.255 4.350 -0.000 0.000 0.194 70 E C 1.064 177.553 176.600 -0.186 0.000 1.013 70 E CA 1.051 57.376 56.400 -0.126 0.000 0.866 70 E CB -0.287 29.339 29.700 -0.123 0.000 0.832 70 E HN 0.624 nan 8.360 nan 0.000 0.500 71 N N 0.254 118.796 118.700 -0.263 0.000 2.197 71 N HA 0.075 4.815 4.740 -0.000 0.000 0.201 71 N C -0.437 174.985 175.510 -0.147 0.000 1.148 71 N CA -0.220 52.661 53.050 -0.281 0.000 0.883 71 N CB 0.833 38.962 38.487 -0.597 0.000 1.012 71 N HN 0.092 nan 8.380 nan 0.000 0.507 72 E N -0.139 120.006 120.200 -0.091 0.000 2.366 72 E HA 0.140 4.490 4.350 -0.000 0.000 0.266 72 E C 0.132 176.706 176.600 -0.043 0.000 1.051 72 E CA 0.288 56.661 56.400 -0.044 0.000 0.884 72 E CB 1.196 30.884 29.700 -0.019 0.000 1.006 72 E HN 0.057 nan 8.360 nan 0.000 0.417 73 T N 0.547 115.082 114.554 -0.032 0.000 2.987 73 T HA 0.056 4.406 4.350 -0.000 0.000 0.248 73 T C 0.148 174.831 174.700 -0.027 0.000 0.997 73 T CA 0.315 62.397 62.100 -0.029 0.000 1.013 73 T CB 0.723 69.576 68.868 -0.025 0.000 1.077 73 T HN 0.396 nan 8.240 nan 0.000 0.483 74 T N 0.537 115.075 114.554 -0.026 0.000 2.883 74 T HA 0.424 4.774 4.350 -0.000 0.000 0.301 74 T C -0.929 173.749 174.700 -0.038 0.000 1.158 74 T CA -0.645 61.436 62.100 -0.032 0.000 1.007 74 T CB 1.384 70.237 68.868 -0.026 0.000 1.186 74 T HN -0.303 nan 8.240 nan 0.000 0.499 75 K N 2.221 122.586 120.400 -0.058 0.000 2.455 75 K HA 0.225 4.545 4.320 -0.000 0.000 0.206 75 K C 0.405 176.935 176.600 -0.117 0.000 1.027 75 K CA -0.407 55.834 56.287 -0.076 0.000 1.113 75 K CB -0.140 32.306 32.500 -0.089 0.000 0.850 75 K HN 0.442 nan 8.250 nan 0.000 0.503 76 N N 1.247 119.891 118.700 -0.094 0.000 2.412 76 N HA -0.122 4.618 4.740 -0.000 0.000 0.254 76 N C -0.565 174.920 175.510 -0.043 0.000 1.232 76 N CA 0.207 53.197 53.050 -0.101 0.000 0.880 76 N CB 0.192 38.664 38.487 -0.024 0.000 1.076 76 N HN -0.053 nan 8.380 nan 0.000 0.458 77 Y N 2.163 122.464 120.300 0.002 0.000 2.944 77 Y HA -0.118 4.432 4.550 -0.000 0.000 0.340 77 Y C 0.844 176.747 175.900 0.005 0.000 1.275 77 Y CA 0.248 58.351 58.100 0.005 0.000 1.590 77 Y CB 0.019 38.483 38.460 0.005 0.000 1.218 77 Y HN 0.388 nan 8.280 nan 0.000 0.576 78 L N 2.861 124.199 121.223 0.191 0.000 2.466 78 L HA 0.369 4.709 4.340 -0.000 0.000 0.257 78 L C 1.133 178.062 176.870 0.097 0.000 1.189 78 L CA 0.098 55.002 54.840 0.107 0.000 0.813 78 L CB 0.404 42.504 42.059 0.069 0.000 1.118 78 L HN 0.798 nan 8.230 nan 0.000 0.471 79 G N 1.703 110.543 108.800 0.067 0.000 2.667 79 G HA2 0.228 4.188 3.960 -0.000 0.000 0.250 79 G HA3 0.228 4.188 3.960 -0.000 0.000 0.250 79 G C 1.167 176.093 174.900 0.043 0.000 1.212 79 G CA -0.358 44.772 45.100 0.049 0.000 0.874 79 G HN 0.730 nan 8.290 nan 0.000 0.561 80 I N 0.278 120.855 120.570 0.012 0.000 2.248 80 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 80 I C 2.035 178.170 176.117 0.030 0.000 1.107 80 I CA 1.756 63.046 61.300 -0.018 0.000 1.373 80 I CB -0.096 37.857 38.000 -0.079 0.000 1.055 80 I HN 0.592 nan 8.210 nan 0.000 0.418 81 D N 0.287 120.739 120.400 0.087 0.000 2.340 81 D HA 0.209 4.849 4.640 -0.000 0.000 0.220 81 D C 1.049 177.441 176.300 0.154 0.000 1.039 81 D CA 0.705 54.814 54.000 0.182 0.000 0.866 81 D CB -0.237 40.781 40.800 0.364 0.000 0.913 81 D HN 0.381 nan 8.370 nan 0.000 0.523 82 G N 0.542 109.398 108.800 0.092 0.000 2.632 82 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.224 82 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.224 82 G C -0.438 174.489 174.900 0.044 0.000 1.341 82 G CA -0.385 44.736 45.100 0.036 0.000 0.880 82 G HN 0.309 nan 8.290 nan 0.000 0.566 83 I N 3.264 123.836 120.570 0.003 0.000 2.517 83 I HA 0.159 4.329 4.170 -0.000 0.000 0.285 83 I C -0.442 175.740 176.117 0.109 0.000 1.106 83 I CA -1.270 60.053 61.300 0.038 0.000 1.402 83 I CB 1.393 39.390 38.000 -0.005 0.000 1.399 83 I HN 0.421 nan 8.210 nan 0.000 0.535 84 P HA -0.128 nan 4.420 nan 0.000 0.219 84 P C 0.983 178.319 177.300 0.060 0.000 1.150 84 P CA 1.209 64.352 63.100 0.072 0.000 0.814 84 P CB 0.345 32.072 31.700 0.045 0.000 0.787 85 E N -0.405 119.826 120.200 0.051 0.000 2.051 85 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 85 E C 1.824 178.432 176.600 0.014 0.000 0.991 85 E CA 0.949 57.360 56.400 0.018 0.000 0.799 85 E CB -1.289 28.414 29.700 0.005 0.000 0.748 85 E HN 0.215 nan 8.360 nan 0.000 0.449 86 F N 0.915 120.807 119.950 -0.097 0.000 2.065 86 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 86 F C 2.219 177.973 175.800 -0.077 0.000 1.112 86 F CA 2.114 60.036 58.000 -0.129 0.000 1.212 86 F CB -0.777 38.145 39.000 -0.130 0.000 0.975 86 F HN 0.079 nan 8.300 nan 0.000 0.476 87 G N -0.006 108.847 108.800 0.088 0.000 2.440 87 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 87 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 87 G C 1.773 176.627 174.900 -0.077 0.000 1.154 87 G CA 0.982 46.087 45.100 0.009 0.000 0.767 87 G HN 0.371 nan 8.290 nan 0.000 0.552 88 R N -0.631 119.834 120.500 -0.059 0.000 2.062 88 R HA 0.002 4.342 4.340 -0.000 0.000 0.229 88 R C 2.694 178.940 176.300 -0.091 0.000 1.128 88 R CA 1.238 57.304 56.100 -0.056 0.000 0.960 88 R CB -0.780 29.498 30.300 -0.036 0.000 0.855 88 R HN 0.359 nan 8.270 nan 0.000 0.432 89 C N 0.221 119.437 119.300 -0.140 0.000 2.413 89 C HA -0.095 4.365 4.460 -0.000 0.000 0.277 89 C C 2.655 177.529 174.990 -0.193 0.000 1.265 89 C CA 1.138 60.056 59.018 -0.167 0.000 1.752 89 C CB -0.849 26.758 27.740 -0.221 0.000 1.998 89 C HN 0.557 nan 8.230 nan 0.000 0.489 90 T N 0.426 114.810 114.554 -0.282 0.000 2.701 90 T HA -0.210 4.140 4.350 -0.000 0.000 0.263 90 T C 1.822 176.399 174.700 -0.206 0.000 1.040 90 T CA 1.387 63.336 62.100 -0.251 0.000 1.147 90 T CB -0.359 68.306 68.868 -0.338 0.000 0.865 90 T HN 0.626 nan 8.240 nan 0.000 0.426 91 Q N 0.551 120.253 119.800 -0.163 0.000 2.135 91 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 91 Q C 2.403 178.355 176.000 -0.080 0.000 0.981 91 Q CA 1.182 56.910 55.803 -0.124 0.000 0.856 91 Q CB -0.115 28.658 28.738 0.058 0.000 0.902 91 Q HN 0.600 nan 8.270 nan 0.000 0.425 92 E N 0.292 120.463 120.200 -0.048 0.000 2.152 92 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 92 E C 2.027 178.606 176.600 -0.036 0.000 0.983 92 E CA 0.572 56.964 56.400 -0.013 0.000 0.818 92 E CB 0.050 29.741 29.700 -0.015 0.000 0.758 92 E HN 0.389 nan 8.360 nan 0.000 0.467 93 L N 0.514 121.692 121.223 -0.075 0.000 2.072 93 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 93 L C 2.393 179.212 176.870 -0.085 0.000 1.079 93 L CA 0.722 55.532 54.840 -0.050 0.000 0.752 93 L CB -0.129 41.910 42.059 -0.035 0.000 0.906 93 L HN 0.141 nan 8.230 nan 0.000 0.436 94 L N -1.805 119.283 121.223 -0.225 0.000 2.068 94 L HA -0.136 4.204 4.340 -0.000 0.000 0.204 94 L C 2.046 178.709 176.870 -0.346 0.000 1.076 94 L CA 1.157 55.787 54.840 -0.350 0.000 0.753 94 L CB -0.346 41.216 42.059 -0.828 0.000 0.910 94 L HN 0.151 nan 8.230 nan 0.000 0.439 95 F N -0.464 119.479 119.950 -0.012 0.000 2.717 95 F HA 0.441 4.968 4.527 -0.000 0.000 0.295 95 F C 1.149 176.934 175.800 -0.024 0.000 1.117 95 F CA -0.037 57.942 58.000 -0.036 0.000 1.361 95 F CB -0.117 38.858 39.000 -0.041 0.000 1.112 95 F HN 0.058 nan 8.300 nan 0.000 0.594 96 G N 1.133 110.003 108.800 0.117 0.000 2.742 96 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.686 96 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.686 96 G C -0.747 174.191 174.900 0.063 0.000 1.220 96 G CA -1.160 43.983 45.100 0.073 0.000 0.783 96 G HN 0.158 nan 8.290 nan 0.000 0.646 97 K N 0.774 121.196 120.400 0.037 0.000 2.382 97 K HA 0.456 4.776 4.320 -0.000 0.000 0.286 97 K C 1.340 177.955 176.600 0.025 0.000 1.062 97 K CA 1.091 57.394 56.287 0.026 0.000 1.000 97 K CB -0.272 32.237 32.500 0.016 0.000 0.954 97 K HN 2.397 nan 8.250 nan 0.000 0.470 98 G N 2.572 111.387 108.800 0.025 0.000 2.165 98 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.226 98 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.226 98 G C -0.056 174.855 174.900 0.018 0.000 1.035 98 G CA 0.289 45.399 45.100 0.017 0.000 0.744 98 G HN 0.692 nan 8.290 nan 0.000 0.501 99 S N -0.606 115.113 115.700 0.032 0.000 2.603 99 S HA 0.690 5.160 4.470 -0.000 0.000 0.268 99 S C 1.906 176.500 174.600 -0.011 0.000 1.317 99 S CA 0.640 58.853 58.200 0.022 0.000 1.012 99 S CB 1.191 64.433 63.200 0.069 0.000 0.926 99 S HN 1.671 nan 8.310 nan 0.000 0.539 100 A N 3.281 126.080 122.820 -0.036 0.000 2.015 100 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 100 A C 1.902 179.440 177.584 -0.078 0.000 1.163 100 A CA 1.103 53.110 52.037 -0.050 0.000 0.646 100 A CB -0.712 18.256 19.000 -0.054 0.000 0.806 100 A HN 0.753 nan 8.150 nan 0.000 0.448 101 L N -0.466 120.675 121.223 -0.137 0.000 2.141 101 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 101 L C 2.220 179.025 176.870 -0.107 0.000 1.094 101 L CA 1.309 56.030 54.840 -0.198 0.000 0.763 101 L CB -0.424 41.347 42.059 -0.479 0.000 0.908 101 L HN 0.381 nan 8.230 nan 0.000 0.437 102 I N -0.846 119.699 120.570 -0.043 0.000 2.406 102 I HA -0.159 4.011 4.170 -0.000 0.000 0.249 102 I C 1.761 177.871 176.117 -0.012 0.000 1.122 102 I CA 0.616 61.917 61.300 0.002 0.000 1.431 102 I CB -0.237 37.790 38.000 0.045 0.000 1.087 102 I HN 0.285 nan 8.210 nan 0.000 0.424 103 N N 0.481 119.170 118.700 -0.018 0.000 2.376 103 N HA -0.096 4.644 4.740 -0.000 0.000 0.177 103 N C 0.905 176.402 175.510 -0.022 0.000 1.024 103 N CA 0.960 54.001 53.050 -0.016 0.000 0.893 103 N CB -0.159 38.319 38.487 -0.013 0.000 0.980 103 N HN 0.256 nan 8.380 nan 0.000 0.439 104 D N 0.802 121.183 120.400 -0.032 0.000 2.340 104 D HA 0.061 4.701 4.640 -0.000 0.000 0.220 104 D C -0.015 176.267 176.300 -0.030 0.000 1.039 104 D CA 0.113 54.096 54.000 -0.030 0.000 0.866 104 D CB 0.083 40.861 40.800 -0.037 0.000 0.913 104 D HN 0.146 nan 8.370 nan 0.000 0.523 105 K N -0.063 120.318 120.400 -0.032 0.000 3.077 105 K HA -0.252 4.068 4.320 -0.000 0.000 0.264 105 K C 0.883 177.458 176.600 -0.041 0.000 1.008 105 K CA 0.216 56.483 56.287 -0.033 0.000 0.740 105 K CB -0.964 31.522 32.500 -0.024 0.000 1.273 105 K HN 0.226 nan 8.250 nan 0.000 0.477 106 R N -0.120 120.348 120.500 -0.055 0.000 2.210 106 R HA 0.123 4.463 4.340 -0.000 0.000 0.203 106 R C 0.739 176.998 176.300 -0.068 0.000 1.010 106 R CA 0.781 56.844 56.100 -0.060 0.000 1.008 106 R CB 0.483 30.734 30.300 -0.082 0.000 0.923 106 R HN 0.287 nan 8.270 nan 0.000 0.469 107 A N 1.614 124.392 122.820 -0.071 0.000 2.292 107 A HA 0.510 4.830 4.320 -0.000 0.000 0.319 107 A C -0.532 176.996 177.584 -0.093 0.000 1.206 107 A CA -0.628 51.386 52.037 -0.040 0.000 0.835 107 A CB 0.706 19.739 19.000 0.056 0.000 1.164 107 A HN -0.001 nan 8.150 nan 0.000 0.505 108 R N 1.286 121.678 120.500 -0.179 0.000 2.534 108 R HA 0.604 4.944 4.340 -0.000 0.000 0.301 108 R C -0.765 175.287 176.300 -0.413 0.000 0.961 108 R CA -0.332 55.490 56.100 -0.463 0.000 0.871 108 R CB 1.582 31.313 30.300 -0.948 0.000 1.170 108 R HN 0.735 nan 8.270 nan 0.000 0.446 109 T N 0.263 114.629 114.554 -0.313 0.000 2.824 109 T HA 0.725 5.075 4.350 -0.000 0.000 0.282 109 T C -0.907 173.874 174.700 0.135 0.000 0.993 109 T CA -0.501 61.577 62.100 -0.037 0.000 0.967 109 T CB 1.213 70.093 68.868 0.020 0.000 0.960 109 T HN 0.591 nan 8.240 nan 0.000 0.441 110 A N 4.170 127.188 122.820 0.331 0.000 2.312 110 A HA 0.628 4.948 4.320 -0.000 0.000 0.326 110 A C 0.041 177.794 177.584 0.283 0.000 1.172 110 A CA -0.742 51.519 52.037 0.373 0.000 0.821 110 A CB 1.071 20.279 19.000 0.347 0.000 1.166 110 A HN 0.862 nan 8.150 nan 0.000 0.493 111 Q N 1.289 121.230 119.800 0.234 0.000 2.288 111 Q HA 0.435 4.775 4.340 -0.000 0.000 0.258 111 Q C -0.168 175.889 176.000 0.094 0.000 0.957 111 Q CA 0.114 55.993 55.803 0.126 0.000 0.919 111 Q CB 0.576 29.235 28.738 -0.131 0.000 1.185 111 Q HN 0.857 nan 8.270 nan 0.000 0.408 112 T N 0.550 115.144 114.554 0.066 0.000 2.907 112 T HA 0.584 4.934 4.350 -0.000 0.000 0.290 112 T C -2.643 171.988 174.700 -0.116 0.000 1.066 112 T CA -2.092 60.023 62.100 0.026 0.000 1.012 112 T CB 1.699 70.621 68.868 0.091 0.000 1.184 112 T HN 0.464 nan 8.240 nan 0.000 0.522 113 P HA 0.348 nan 4.420 nan 0.000 0.256 113 P C 0.822 178.057 177.300 -0.108 0.000 1.688 113 P CA 0.690 63.657 63.100 -0.223 0.000 1.162 113 P CB -0.619 30.861 31.700 -0.367 0.000 1.870 114 G N 3.142 111.906 108.800 -0.060 0.000 2.855 114 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.352 114 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.352 114 G C 0.976 175.861 174.900 -0.026 0.000 1.415 114 G CA -0.437 44.644 45.100 -0.032 0.000 0.871 114 G HN 0.447 nan 8.290 nan 0.000 0.543 115 G N -1.556 107.208 108.800 -0.060 0.000 2.443 115 G HA2 0.092 4.052 3.960 -0.000 0.000 0.219 115 G HA3 0.092 4.052 3.960 -0.000 0.000 0.219 115 G C 1.793 176.678 174.900 -0.025 0.000 1.131 115 G CA 2.316 47.373 45.100 -0.071 0.000 0.775 115 G HN 1.171 nan 8.290 nan 0.000 0.547 116 T N 0.847 115.407 114.554 0.009 0.000 2.777 116 T HA -0.007 4.343 4.350 -0.000 0.000 0.266 116 T C 2.528 177.262 174.700 0.057 0.000 1.040 116 T CA 1.276 63.434 62.100 0.097 0.000 1.141 116 T CB -0.446 68.522 68.868 0.166 0.000 0.868 116 T HN 0.326 nan 8.240 nan 0.000 0.444 117 G N 1.141 109.957 108.800 0.028 0.000 2.422 117 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.218 117 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.218 117 G C 1.814 176.761 174.900 0.078 0.000 1.146 117 G CA 0.879 45.996 45.100 0.028 0.000 0.769 117 G HN 0.572 nan 8.290 nan 0.000 0.547 118 A N 0.206 123.069 122.820 0.071 0.000 1.930 118 A HA 0.118 4.438 4.320 -0.000 0.000 0.217 118 A C 2.320 179.975 177.584 0.119 0.000 1.175 118 A CA 1.293 53.392 52.037 0.102 0.000 0.627 118 A CB -0.366 18.686 19.000 0.087 0.000 0.815 118 A HN 0.305 nan 8.150 nan 0.000 0.443 119 L N -0.489 120.794 121.223 0.101 0.000 2.093 119 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 119 L C 2.455 179.356 176.870 0.051 0.000 1.085 119 L CA 2.031 56.935 54.840 0.107 0.000 0.755 119 L CB -0.882 41.222 42.059 0.075 0.000 0.904 119 L HN 0.458 nan 8.230 nan 0.000 0.435 120 R N -0.952 119.565 120.500 0.029 0.000 2.073 120 R HA -0.072 4.268 4.340 -0.000 0.000 0.229 120 R C 2.146 178.510 176.300 0.106 0.000 1.120 120 R CA 1.515 57.633 56.100 0.031 0.000 0.967 120 R CB -0.842 29.478 30.300 0.034 0.000 0.862 120 R HN 0.172 nan 8.270 nan 0.000 0.436 121 V N 0.969 120.965 119.914 0.137 0.000 2.332 121 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 121 V C 2.327 178.537 176.094 0.194 0.000 1.055 121 V CA 1.984 64.374 62.300 0.150 0.000 1.038 121 V CB -0.914 30.999 31.823 0.149 0.000 0.651 121 V HN 0.546 nan 8.190 nan 0.000 0.450 122 A N -0.133 122.814 122.820 0.211 0.000 1.877 122 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 122 A C 2.427 180.224 177.584 0.353 0.000 1.186 122 A CA 2.083 54.296 52.037 0.293 0.000 0.620 122 A CB -0.809 18.367 19.000 0.294 0.000 0.822 122 A HN 0.575 nan 8.150 nan 0.000 0.443 123 A N -0.218 122.790 122.820 0.313 0.000 1.933 123 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 123 A C 1.795 179.503 177.584 0.207 0.000 1.175 123 A CA 1.885 54.109 52.037 0.313 0.000 0.628 123 A CB -0.540 18.627 19.000 0.278 0.000 0.814 123 A HN 0.459 nan 8.150 nan 0.000 0.444 124 D N -1.121 119.384 120.400 0.174 0.000 2.117 124 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 124 D C 1.621 178.000 176.300 0.132 0.000 0.982 124 D CA 1.250 55.326 54.000 0.127 0.000 0.828 124 D CB -0.427 40.435 40.800 0.105 0.000 0.967 124 D HN 0.467 nan 8.370 nan 0.000 0.464 125 F N 1.624 121.611 119.950 0.061 0.000 2.046 125 F HA -0.158 4.369 4.527 0.000 0.000 0.297 125 F C 2.135 177.975 175.800 0.067 0.000 1.123 125 F CA 1.315 59.348 58.000 0.055 0.000 1.199 125 F CB -0.590 38.451 39.000 0.069 0.000 0.972 125 F HN -0.129 nan 8.300 nan 0.000 0.474 126 L N 0.169 121.337 121.223 -0.092 0.000 2.079 126 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 126 L C 2.813 179.611 176.870 -0.120 0.000 1.081 126 L CA 1.238 55.978 54.840 -0.167 0.000 0.752 126 L CB -1.256 40.857 42.059 0.090 0.000 0.896 126 L HN 0.346 nan 8.230 nan 0.000 0.433 127 A N -0.039 122.763 122.820 -0.030 0.000 1.898 127 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 127 A C 2.312 179.865 177.584 -0.051 0.000 1.181 127 A CA 1.907 53.934 52.037 -0.016 0.000 0.620 127 A CB -0.297 18.718 19.000 0.025 0.000 0.819 127 A HN 0.223 nan 8.150 nan 0.000 0.442 128 K N -0.127 120.229 120.400 -0.074 0.000 2.243 128 K HA 0.069 4.389 4.320 -0.000 0.000 0.201 128 K C 0.968 177.497 176.600 -0.118 0.000 1.051 128 K CA 1.374 57.616 56.287 -0.074 0.000 0.970 128 K CB 0.030 32.504 32.500 -0.044 0.000 0.755 128 K HN 0.492 nan 8.250 nan 0.000 0.465 129 N N -0.687 117.874 118.700 -0.232 0.000 2.171 129 N HA 0.084 4.824 4.740 -0.000 0.000 0.212 129 N C -0.599 174.769 175.510 -0.237 0.000 1.184 129 N CA 0.136 53.031 53.050 -0.258 0.000 0.888 129 N CB 1.435 39.674 38.487 -0.414 0.000 1.038 129 N HN 0.002 nan 8.380 nan 0.000 0.517 130 T N -0.514 113.917 114.554 -0.205 0.000 2.887 130 T HA 0.191 4.541 4.350 -0.000 0.000 0.292 130 T C 0.795 175.460 174.700 -0.059 0.000 1.087 130 T CA -0.518 61.509 62.100 -0.122 0.000 1.009 130 T CB 1.919 70.701 68.868 -0.142 0.000 1.203 130 T HN -0.012 nan 8.240 nan 0.000 0.518 131 S N -0.193 115.496 115.700 -0.020 0.000 2.634 131 S HA 0.201 4.671 4.470 -0.000 0.000 0.221 131 S C 0.852 175.460 174.600 0.014 0.000 0.952 131 S CA -0.617 57.583 58.200 0.001 0.000 0.930 131 S CB -0.987 62.221 63.200 0.015 0.000 0.780 131 S HN 0.682 nan 8.310 nan 0.000 0.498 132 V N -0.631 119.290 119.914 0.012 0.000 2.811 132 V HA 0.550 4.670 4.120 -0.000 0.000 0.302 132 V C 0.592 176.695 176.094 0.014 0.000 1.063 132 V CA -0.375 61.940 62.300 0.025 0.000 1.088 132 V CB 1.143 32.984 31.823 0.029 0.000 0.982 132 V HN 0.147 nan 8.190 nan 0.000 0.485 133 K N 1.558 121.966 120.400 0.014 0.000 2.485 133 K HA 0.384 4.704 4.320 -0.000 0.000 0.200 133 K C 0.416 176.998 176.600 -0.030 0.000 1.352 133 K CA -0.060 56.226 56.287 -0.002 0.000 0.953 133 K CB 0.358 32.860 32.500 0.003 0.000 1.387 133 K HN 0.676 nan 8.250 nan 0.000 0.512 134 R N 0.408 120.889 120.500 -0.032 0.000 2.407 134 R HA 0.498 4.838 4.340 -0.000 0.000 0.303 134 R C -1.073 175.146 176.300 -0.135 0.000 0.981 134 R CA -0.549 55.480 56.100 -0.120 0.000 0.905 134 R CB 1.759 31.981 30.300 -0.130 0.000 1.099 134 R HN -0.167 nan 8.270 nan 0.000 0.459 135 V N 2.790 122.538 119.914 -0.277 0.000 2.495 135 V HA 0.426 4.546 4.120 -0.000 0.000 0.298 135 V C -1.012 174.843 176.094 -0.398 0.000 1.031 135 V CA -0.859 61.242 62.300 -0.332 0.000 0.871 135 V CB 1.532 32.982 31.823 -0.622 0.000 0.988 135 V HN 0.669 nan 8.190 nan 0.000 0.432 136 W N 3.733 124.876 121.300 -0.262 0.000 2.376 136 W HA 0.714 5.374 4.660 -0.000 0.000 0.312 136 W C -0.513 175.928 176.519 -0.130 0.000 1.060 136 W CA -0.429 56.821 57.345 -0.159 0.000 1.221 136 W CB 1.799 31.137 29.460 -0.204 0.000 1.281 136 W HN 0.323 nan 8.180 nan 0.000 0.456 137 V N 2.950 122.851 119.914 -0.021 0.000 2.823 137 V HA 0.439 4.559 4.120 -0.000 0.000 0.312 137 V C 0.223 175.971 176.094 -0.578 0.000 1.072 137 V CA -1.329 60.837 62.300 -0.223 0.000 0.937 137 V CB 1.600 33.326 31.823 -0.162 0.000 1.013 137 V HN 0.542 nan 8.190 nan 0.000 0.430 138 S N 2.113 117.263 115.700 -0.916 0.000 2.573 138 S HA 0.121 4.591 4.470 -0.000 0.000 0.277 138 S C -0.005 174.357 174.600 -0.396 0.000 1.346 138 S CA -0.418 57.155 58.200 -1.044 0.000 1.034 138 S CB 0.263 62.936 63.200 -0.879 0.000 0.879 138 S HN 0.872 nan 8.310 nan 0.000 0.528 139 N N 2.681 121.243 118.700 -0.230 0.000 2.501 139 N HA 0.361 5.101 4.740 -0.000 0.000 0.245 139 N C -2.779 172.776 175.510 0.074 0.000 0.974 139 N CA -1.763 51.269 53.050 -0.030 0.000 0.941 139 N CB 1.170 39.674 38.487 0.029 0.000 1.122 139 N HN 0.459 nan 8.380 nan 0.000 0.507 140 P HA 0.362 nan 4.420 nan 0.000 0.284 140 P C -0.912 176.367 177.300 -0.036 0.000 1.287 140 P CA -0.418 62.686 63.100 0.007 0.000 0.824 140 P CB 1.995 33.708 31.700 0.022 0.000 1.180 141 S N -1.616 114.080 115.700 -0.006 0.000 2.720 141 S HA 0.461 4.931 4.470 -0.000 0.000 0.287 141 S C -1.750 172.942 174.600 0.154 0.000 1.168 141 S CA -0.610 57.638 58.200 0.081 0.000 0.832 141 S CB 0.145 63.477 63.200 0.219 0.000 1.166 141 S HN 0.445 nan 8.310 nan 0.000 0.493 142 W N 3.285 124.604 121.300 0.032 0.000 2.295 142 W HA 0.290 4.950 4.660 -0.000 0.000 0.335 142 W C -2.278 174.180 176.519 -0.102 0.000 1.351 142 W CA -1.208 56.057 57.345 -0.133 0.000 1.273 142 W CB 0.141 29.388 29.460 -0.356 0.000 1.214 142 W HN 0.523 nan 8.180 nan 0.000 0.563 143 P HA -0.238 nan 4.420 nan 0.000 0.218 143 P C 1.125 178.157 177.300 -0.446 0.000 1.148 143 P CA 1.910 64.814 63.100 -0.328 0.000 0.822 143 P CB 0.229 31.751 31.700 -0.297 0.000 0.784 144 N N -2.009 116.111 118.700 -0.967 0.000 2.521 144 N HA -0.081 4.659 4.740 -0.000 0.000 0.188 144 N C 1.355 176.491 175.510 -0.624 0.000 1.146 144 N CA 0.465 52.924 53.050 -0.986 0.000 0.893 144 N CB -0.539 36.963 38.487 -1.641 0.000 0.975 144 N HN 0.276 nan 8.380 nan 0.000 0.451 145 H N -0.689 118.229 119.070 -0.253 0.000 2.363 145 H HA -0.009 4.547 4.556 -0.000 0.000 0.301 145 H C 1.934 177.306 175.328 0.073 0.000 1.074 145 H CA 1.128 57.226 56.048 0.083 0.000 1.354 145 H CB 0.310 30.244 29.762 0.285 0.000 1.397 145 H HN 0.119 nan 8.280 nan 0.000 0.516 146 K N 0.183 120.669 120.400 0.144 0.000 2.009 146 K HA -0.178 4.142 4.320 -0.000 0.000 0.210 146 K C 2.566 179.186 176.600 0.033 0.000 1.049 146 K CA 1.414 57.762 56.287 0.101 0.000 0.929 146 K CB -0.175 32.334 32.500 0.015 0.000 0.714 146 K HN 0.053 nan 8.250 nan 0.000 0.440 147 S N -0.060 115.598 115.700 -0.070 0.000 2.374 147 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 147 S C 1.882 176.410 174.600 -0.121 0.000 1.037 147 S CA 1.505 59.641 58.200 -0.107 0.000 1.024 147 S CB -0.198 62.899 63.200 -0.170 0.000 0.861 147 S HN 0.221 nan 8.310 nan 0.000 0.456 148 V N 0.807 120.597 119.914 -0.208 0.000 2.307 148 V HA -0.085 4.035 4.120 -0.000 0.000 0.245 148 V C 2.043 177.961 176.094 -0.294 0.000 1.045 148 V CA 1.812 63.934 62.300 -0.296 0.000 1.024 148 V CB -0.792 30.763 31.823 -0.447 0.000 0.651 148 V HN 0.489 nan 8.190 nan 0.000 0.449 149 F N 0.745 120.719 119.950 0.040 0.000 2.206 149 F HA -0.055 4.472 4.527 0.000 0.000 0.298 149 F C 2.177 177.979 175.800 0.004 0.000 1.090 149 F CA 1.387 59.403 58.000 0.027 0.000 1.323 149 F CB -1.052 37.955 39.000 0.013 0.000 1.028 149 F HN 0.208 nan 8.300 nan 0.000 0.492 150 N N -0.690 118.083 118.700 0.122 0.000 2.244 150 N HA -0.151 4.589 4.740 -0.000 0.000 0.183 150 N C 1.880 177.407 175.510 0.028 0.000 1.016 150 N CA 0.946 54.030 53.050 0.057 0.000 0.866 150 N CB -0.185 38.315 38.487 0.022 0.000 0.980 150 N HN 0.063 nan 8.380 nan 0.000 0.430 151 S N 0.193 115.897 115.700 0.007 0.000 2.419 151 S HA -0.067 4.403 4.470 -0.000 0.000 0.233 151 S C 1.837 176.449 174.600 0.019 0.000 1.016 151 S CA 0.948 59.148 58.200 -0.001 0.000 0.974 151 S CB -0.049 63.138 63.200 -0.022 0.000 0.786 151 S HN 0.460 nan 8.310 nan 0.000 0.492 152 A N -0.327 122.520 122.820 0.045 0.000 2.178 152 A HA 0.505 4.825 4.320 -0.000 0.000 0.211 152 A C 1.628 179.243 177.584 0.052 0.000 1.157 152 A CA 0.981 53.054 52.037 0.060 0.000 0.780 152 A CB -0.350 18.713 19.000 0.105 0.000 0.828 152 A HN 0.832 nan 8.150 nan 0.000 0.476 153 G N -1.526 107.303 108.800 0.048 0.000 2.184 153 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.206 153 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.206 153 G C 0.029 174.948 174.900 0.033 0.000 0.995 153 G CA -0.005 45.114 45.100 0.032 0.000 0.651 153 G HN 0.376 nan 8.290 nan 0.000 0.511 154 L N 1.766 123.024 121.223 0.059 0.000 2.350 154 L HA 0.533 4.873 4.340 -0.000 0.000 0.275 154 L C 0.967 177.845 176.870 0.014 0.000 1.099 154 L CA -0.858 54.007 54.840 0.042 0.000 0.808 154 L CB 0.866 42.973 42.059 0.080 0.000 1.149 154 L HN 0.488 nan 8.230 nan 0.000 0.442 155 E N 1.805 121.982 120.200 -0.038 0.000 2.349 155 E HA 0.446 4.796 4.350 -0.000 0.000 0.265 155 E C -1.123 175.388 176.600 -0.148 0.000 1.064 155 E CA -0.860 55.492 56.400 -0.080 0.000 0.886 155 E CB 1.656 31.296 29.700 -0.100 0.000 1.036 155 E HN 0.215 nan 8.360 nan 0.000 0.413 156 V N 2.871 122.688 119.914 -0.160 0.000 2.350 156 V HA 0.307 4.427 4.120 -0.000 0.000 0.285 156 V C 0.034 175.928 176.094 -0.333 0.000 1.014 156 V CA -0.655 61.511 62.300 -0.224 0.000 0.831 156 V CB 0.891 32.662 31.823 -0.087 0.000 1.000 156 V HN 0.612 nan 8.190 nan 0.000 0.433 157 R N 2.793 122.928 120.500 -0.608 0.000 2.643 157 R HA 0.624 4.964 4.340 -0.000 0.000 0.272 157 R C -0.551 175.403 176.300 -0.578 0.000 0.995 157 R CA -0.767 54.855 56.100 -0.797 0.000 1.032 157 R CB 2.198 31.545 30.300 -1.588 0.000 1.126 157 R HN 0.650 nan 8.270 nan 0.000 0.505 158 E N 1.219 121.245 120.200 -0.290 0.000 2.179 158 E HA 0.213 4.563 4.350 -0.000 0.000 0.275 158 E C -1.468 175.325 176.600 0.320 0.000 0.945 158 E CA -0.623 55.774 56.400 -0.005 0.000 0.792 158 E CB 1.240 30.927 29.700 -0.022 0.000 1.125 158 E HN 0.390 nan 8.360 nan 0.000 0.397 159 Y N 1.149 121.589 120.300 0.234 0.000 2.377 159 Y HA 0.723 5.273 4.550 -0.000 0.000 0.339 159 Y C -0.232 175.751 175.900 0.139 0.000 1.011 159 Y CA -1.528 56.690 58.100 0.196 0.000 1.093 159 Y CB 0.780 39.302 38.460 0.104 0.000 1.201 159 Y HN 0.464 nan 8.280 nan 0.000 0.455 160 A N 3.119 126.123 122.820 0.307 0.000 2.520 160 A HA 0.227 4.547 4.320 -0.000 0.000 0.235 160 A C -0.579 177.211 177.584 0.343 0.000 1.065 160 A CA 0.575 52.753 52.037 0.235 0.000 0.764 160 A CB -0.176 18.913 19.000 0.149 0.000 1.002 160 A HN 1.084 nan 8.150 nan 0.000 0.502 161 Y N 0.444 120.810 120.300 0.111 0.000 3.189 161 Y HA 0.239 4.789 4.550 -0.000 0.000 0.213 161 Y C -0.245 175.734 175.900 0.131 0.000 1.032 161 Y CA 0.090 58.251 58.100 0.102 0.000 1.482 161 Y CB 0.164 38.611 38.460 -0.021 0.000 1.460 161 Y HN 0.662 nan 8.280 nan 0.000 0.398 162 Y N 2.398 122.763 120.300 0.109 0.000 2.334 162 Y HA 0.446 4.996 4.550 0.000 0.000 0.328 162 Y C -0.883 175.032 175.900 0.025 0.000 1.130 162 Y CA -1.313 56.817 58.100 0.051 0.000 1.163 162 Y CB 1.040 39.603 38.460 0.172 0.000 1.207 162 Y HN 0.142 nan 8.280 nan 0.000 0.471 163 D N 3.767 123.906 120.400 -0.436 0.000 2.441 163 D HA 0.391 5.031 4.640 -0.000 0.000 0.231 163 D C 0.214 176.021 176.300 -0.823 0.000 1.073 163 D CA -0.070 53.669 54.000 -0.436 0.000 0.850 163 D CB 1.348 41.964 40.800 -0.306 0.000 1.062 163 D HN 0.682 nan 8.370 nan 0.000 0.524 164 A N 3.916 126.388 122.820 -0.580 0.000 2.119 164 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 164 A C 1.820 178.993 177.584 -0.684 0.000 1.153 164 A CA 0.818 52.532 52.037 -0.537 0.000 0.692 164 A CB -0.203 18.725 19.000 -0.120 0.000 0.799 164 A HN 0.668 nan 8.150 nan 0.000 0.458 165 E N 0.046 119.913 120.200 -0.553 0.000 2.016 165 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 165 E C 1.088 177.268 176.600 -0.701 0.000 0.985 165 E CA 0.981 57.074 56.400 -0.511 0.000 0.802 165 E CB -0.110 29.415 29.700 -0.291 0.000 0.762 165 E HN 0.533 nan 8.360 nan 0.000 0.448 166 N N 0.052 118.432 118.700 -0.534 0.000 2.412 166 N HA -0.046 4.694 4.740 -0.000 0.000 0.184 166 N C -0.569 174.775 175.510 -0.277 0.000 1.101 166 N CA 0.393 53.239 53.050 -0.341 0.000 0.881 166 N CB 0.247 38.621 38.487 -0.188 0.000 0.969 166 N HN 0.243 nan 8.380 nan 0.000 0.459 167 H N -0.136 118.730 119.070 -0.339 0.000 2.819 167 H HA -0.116 4.440 4.556 0.000 0.000 0.323 167 H C -0.061 175.234 175.328 -0.055 0.000 1.243 167 H CA 1.156 57.035 56.048 -0.283 0.000 1.163 167 H CB -2.236 27.381 29.762 -0.242 0.000 1.493 167 H HN 0.312 nan 8.280 nan 0.000 0.434 168 T N -2.555 111.911 114.554 -0.146 0.000 2.887 168 T HA 0.533 4.883 4.350 -0.000 0.000 0.292 168 T C 0.136 174.795 174.700 -0.069 0.000 1.087 168 T CA -1.281 60.802 62.100 -0.028 0.000 1.009 168 T CB 2.634 71.467 68.868 -0.057 0.000 1.203 168 T HN 0.133 nan 8.240 nan 0.000 0.518 169 L N 1.978 123.162 121.223 -0.064 0.000 2.369 169 L HA 0.384 4.724 4.340 -0.000 0.000 0.279 169 L C -0.114 176.685 176.870 -0.119 0.000 1.108 169 L CA 0.048 54.772 54.840 -0.195 0.000 0.852 169 L CB -0.109 41.782 42.059 -0.280 0.000 1.169 169 L HN 0.712 nan 8.230 nan 0.000 0.452 170 D N 4.242 124.570 120.400 -0.119 0.000 2.470 170 D HA -0.053 4.587 4.640 -0.000 0.000 0.226 170 D C 0.832 177.134 176.300 0.003 0.000 1.196 170 D CA 0.105 54.075 54.000 -0.050 0.000 0.979 170 D CB 0.019 40.785 40.800 -0.057 0.000 1.059 170 D HN 0.592 nan 8.370 nan 0.000 0.515 171 F N 2.303 122.184 119.950 -0.116 0.000 2.186 171 F HA -0.090 4.437 4.527 -0.000 0.000 0.299 171 F C 1.719 177.492 175.800 -0.044 0.000 1.090 171 F CA 1.113 59.058 58.000 -0.092 0.000 1.307 171 F CB 0.161 39.108 39.000 -0.088 0.000 1.019 171 F HN 0.264 nan 8.300 nan 0.000 0.489 172 D N -0.365 120.025 120.400 -0.016 0.000 2.144 172 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 172 D C 2.239 178.481 176.300 -0.097 0.000 0.978 172 D CA 1.303 55.256 54.000 -0.078 0.000 0.833 172 D CB -0.147 40.648 40.800 -0.008 0.000 0.961 172 D HN 0.286 nan 8.370 nan 0.000 0.470 173 A N -0.028 122.757 122.820 -0.058 0.000 2.014 173 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 173 A C 1.970 179.534 177.584 -0.033 0.000 1.163 173 A CA 0.784 52.801 52.037 -0.034 0.000 0.652 173 A CB -0.526 18.472 19.000 -0.003 0.000 0.808 173 A HN 0.330 nan 8.150 nan 0.000 0.449 174 L N -0.011 121.172 121.223 -0.066 0.000 2.005 174 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 174 L C 2.012 178.778 176.870 -0.174 0.000 1.072 174 L CA 1.778 56.590 54.840 -0.046 0.000 0.744 174 L CB -0.619 41.417 42.059 -0.038 0.000 0.895 174 L HN 0.286 nan 8.230 nan 0.000 0.433 175 I N 0.613 121.004 120.570 -0.299 0.000 2.151 175 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 175 I C 2.204 178.241 176.117 -0.132 0.000 1.080 175 I CA 1.609 62.758 61.300 -0.252 0.000 1.339 175 I CB -1.640 36.167 38.000 -0.321 0.000 1.039 175 I HN 0.411 nan 8.210 nan 0.000 0.409 176 N N 0.502 119.136 118.700 -0.109 0.000 2.188 176 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 176 N C 2.049 177.527 175.510 -0.054 0.000 1.018 176 N CA 1.140 54.152 53.050 -0.063 0.000 0.858 176 N CB -0.245 38.217 38.487 -0.042 0.000 0.989 176 N HN 0.147 nan 8.380 nan 0.000 0.426 177 S N 0.070 115.739 115.700 -0.051 0.000 2.368 177 S HA -0.004 4.466 4.470 -0.000 0.000 0.225 177 S C 1.289 175.779 174.600 -0.184 0.000 1.030 177 S CA 0.607 58.792 58.200 -0.026 0.000 0.999 177 S CB -0.127 63.119 63.200 0.077 0.000 0.844 177 S HN 0.151 nan 8.310 nan 0.000 0.459 178 L N 2.267 123.312 121.223 -0.297 0.000 2.650 178 L HA 0.200 4.540 4.340 -0.000 0.000 0.235 178 L C 1.087 177.806 176.870 -0.252 0.000 1.149 178 L CA 0.734 55.245 54.840 -0.548 0.000 0.887 178 L CB -1.094 40.601 42.059 -0.607 0.000 1.021 178 L HN 0.148 nan 8.230 nan 0.000 0.441 179 N N -0.626 118.002 118.700 -0.120 0.000 2.463 179 N HA -0.103 4.637 4.740 -0.000 0.000 0.181 179 N C 1.532 177.019 175.510 -0.039 0.000 1.078 179 N CA 0.328 53.365 53.050 -0.020 0.000 0.902 179 N CB 0.206 38.685 38.487 -0.013 0.000 0.970 179 N HN 0.434 nan 8.380 nan 0.000 0.451 180 E N 0.055 120.189 120.200 -0.110 0.000 2.489 180 E HA 0.191 4.541 4.350 -0.000 0.000 0.193 180 E C -0.318 176.264 176.600 -0.030 0.000 1.057 180 E CA -0.263 56.131 56.400 -0.011 0.000 0.866 180 E CB 0.233 29.997 29.700 0.107 0.000 0.916 180 E HN 0.189 nan 8.360 nan 0.000 0.500 181 A N 1.313 123.936 122.820 -0.327 0.000 2.309 181 A HA 0.254 4.574 4.320 -0.000 0.000 0.290 181 A C -0.198 177.450 177.584 0.107 0.000 1.206 181 A CA -0.455 51.363 52.037 -0.365 0.000 0.850 181 A CB 0.576 18.827 19.000 -1.249 0.000 1.118 181 A HN 0.229 nan 8.150 nan 0.000 0.523 182 Q N 0.833 120.747 119.800 0.190 0.000 2.318 182 Q HA 0.536 4.876 4.340 -0.000 0.000 0.222 182 Q C 0.353 176.518 176.000 0.274 0.000 1.003 182 Q CA -0.345 55.583 55.803 0.208 0.000 0.936 182 Q CB 0.978 29.816 28.738 0.168 0.000 1.204 182 Q HN 0.876 nan 8.270 nan 0.000 0.524 183 A N 0.106 123.037 122.820 0.184 0.000 2.409 183 A HA 0.486 4.806 4.320 -0.000 0.000 0.262 183 A C 0.925 178.609 177.584 0.167 0.000 1.113 183 A CA 0.622 52.757 52.037 0.163 0.000 0.790 183 A CB -0.521 18.524 19.000 0.075 0.000 1.046 183 A HN 0.902 nan 8.150 nan 0.000 0.496 184 G N 2.144 111.060 108.800 0.193 0.000 2.195 184 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.224 184 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.224 184 G C -0.112 174.890 174.900 0.170 0.000 0.990 184 G CA 0.228 45.422 45.100 0.157 0.000 0.639 184 G HN 0.762 nan 8.290 nan 0.000 0.514 185 D N 0.049 120.581 120.400 0.219 0.000 2.329 185 D HA 0.547 5.187 4.640 -0.000 0.000 0.246 185 D C 0.498 176.901 176.300 0.171 0.000 1.111 185 D CA -0.189 53.930 54.000 0.199 0.000 0.941 185 D CB 1.812 42.770 40.800 0.263 0.000 1.169 185 D HN 0.136 nan 8.370 nan 0.000 0.441 186 V N 1.660 121.641 119.914 0.111 0.000 2.439 186 V HA 0.292 4.412 4.120 -0.000 0.000 0.282 186 V C -0.004 176.077 176.094 -0.022 0.000 1.039 186 V CA -0.597 61.729 62.300 0.043 0.000 0.913 186 V CB 1.643 33.446 31.823 -0.035 0.000 0.983 186 V HN 0.220 nan 8.190 nan 0.000 0.460 187 V N 6.451 126.298 119.914 -0.111 0.000 2.378 187 V HA 0.405 4.525 4.120 -0.000 0.000 0.288 187 V C -0.201 175.660 176.094 -0.388 0.000 1.016 187 V CA -0.531 61.567 62.300 -0.336 0.000 0.840 187 V CB 1.641 33.057 31.823 -0.678 0.000 0.994 187 V HN 0.714 nan 8.190 nan 0.000 0.431 188 L N 5.745 126.762 121.223 -0.342 0.000 2.290 188 L HA 0.580 4.920 4.340 -0.000 0.000 0.284 188 L C -1.105 175.560 176.870 -0.342 0.000 1.078 188 L CA 0.237 54.906 54.840 -0.285 0.000 0.815 188 L CB 0.404 42.307 42.059 -0.259 0.000 1.162 188 L HN 0.473 nan 8.230 nan 0.000 0.435 189 F N 2.988 122.831 119.950 -0.179 0.000 2.508 189 F HA 0.423 4.950 4.527 -0.000 0.000 0.325 189 F C 0.213 176.011 175.800 -0.004 0.000 1.090 189 F CA -0.579 57.338 58.000 -0.138 0.000 0.945 189 F CB 1.255 39.885 39.000 -0.616 0.000 1.156 189 F HN 0.395 nan 8.300 nan 0.000 0.463 190 H N 1.704 120.956 119.070 0.303 0.000 2.668 190 H HA 0.167 4.723 4.556 -0.000 0.000 0.303 190 H C 0.993 176.623 175.328 0.502 0.000 1.074 190 H CA 0.009 56.259 56.048 0.337 0.000 1.406 190 H CB 1.553 31.504 29.762 0.315 0.000 1.442 190 H HN 0.961 nan 8.280 nan 0.000 0.482 191 G N 3.000 112.114 108.800 0.523 0.000 2.440 191 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 191 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 191 G C 0.569 175.757 174.900 0.481 0.000 1.154 191 G CA 1.184 46.459 45.100 0.292 0.000 0.767 191 G HN 0.772 nan 8.290 nan 0.000 0.552 192 C N -5.172 114.503 119.300 0.624 0.000 3.306 192 C HA 0.525 4.985 4.460 -0.000 0.000 0.335 192 C C 0.304 175.587 174.990 0.489 0.000 1.382 192 C CA -1.032 58.320 59.018 0.556 0.000 1.254 192 C CB 0.656 28.696 27.740 0.499 0.000 1.555 192 C HN 0.901 nan 8.230 nan 0.000 0.463 193 C N 2.522 122.040 119.300 0.363 0.000 3.268 193 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 193 C C 0.601 175.729 174.990 0.230 0.000 1.259 193 C CA 1.160 60.300 59.018 0.203 0.000 2.353 193 C CB -3.168 24.576 27.740 0.007 0.000 1.482 193 C HN 1.219 nan 8.230 nan 0.000 0.513 194 H N 2.049 121.233 119.070 0.190 0.000 3.192 194 H HA 0.006 4.562 4.556 -0.000 0.000 0.295 194 H C 0.561 175.915 175.328 0.044 0.000 0.943 194 H CA 1.077 57.173 56.048 0.080 0.000 1.416 194 H CB 0.482 30.224 29.762 -0.033 0.000 1.434 194 H HN 0.691 nan 8.280 nan 0.000 0.565 195 N N 7.442 125.975 118.700 -0.279 0.000 2.457 195 N HA 0.121 4.861 4.740 -0.000 0.000 0.250 195 N C -2.015 173.273 175.510 -0.370 0.000 0.982 195 N CA -2.199 50.782 53.050 -0.114 0.000 0.941 195 N CB 1.337 39.921 38.487 0.163 0.000 1.120 195 N HN 0.439 nan 8.380 nan 0.000 0.505 196 P HA 0.082 nan 4.420 nan 0.000 0.268 196 P C 0.859 177.875 177.300 -0.474 0.000 1.248 196 P CA 0.373 63.229 63.100 -0.406 0.000 0.851 196 P CB 0.352 31.753 31.700 -0.499 0.000 1.238 197 T N -3.724 110.585 114.554 -0.408 0.000 2.904 197 T HA 0.121 4.471 4.350 -0.000 0.000 0.267 197 T C 1.763 176.452 174.700 -0.019 0.000 1.059 197 T CA 1.571 63.393 62.100 -0.465 0.000 1.137 197 T CB -1.326 67.235 68.868 -0.512 0.000 0.879 197 T HN 0.197 nan 8.240 nan 0.000 0.467 198 G N 1.088 109.964 108.800 0.127 0.000 2.176 198 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.253 198 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.253 198 G C -0.017 175.011 174.900 0.214 0.000 0.979 198 G CA 0.039 45.244 45.100 0.175 0.000 0.641 198 G HN 0.583 nan 8.290 nan 0.000 0.530 199 I N 1.949 122.657 120.570 0.231 0.000 2.315 199 I HA 0.437 4.607 4.170 -0.000 0.000 0.291 199 I C -0.484 175.773 176.117 0.233 0.000 1.006 199 I CA -0.940 60.492 61.300 0.220 0.000 1.265 199 I CB 1.123 39.256 38.000 0.222 0.000 1.387 199 I HN -0.038 nan 8.210 nan 0.000 0.475 200 D N 7.739 128.259 120.400 0.201 0.000 2.228 200 D HA 0.485 5.125 4.640 -0.000 0.000 0.247 200 D C -2.246 174.070 176.300 0.028 0.000 0.995 200 D CA -1.309 52.818 54.000 0.212 0.000 0.903 200 D CB 1.365 42.356 40.800 0.317 0.000 1.205 200 D HN 0.201 nan 8.370 nan 0.000 0.459 201 P HA 0.079 nan 4.420 nan 0.000 0.268 201 P C 0.010 177.194 177.300 -0.192 0.000 1.208 201 P CA -0.210 62.635 63.100 -0.425 0.000 0.777 201 P CB 0.251 31.334 31.700 -1.028 0.000 0.875 202 T N -0.796 113.662 114.554 -0.159 0.000 2.828 202 T HA 0.135 4.485 4.350 -0.000 0.000 0.290 202 T C 1.294 176.065 174.700 0.117 0.000 1.019 202 T CA -0.730 61.369 62.100 -0.003 0.000 1.031 202 T CB 0.281 69.110 68.868 -0.064 0.000 1.001 202 T HN 0.267 nan 8.240 nan 0.000 0.531 203 L N 0.020 121.360 121.223 0.196 0.000 2.081 203 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 203 L C 2.900 179.873 176.870 0.171 0.000 1.080 203 L CA 1.950 56.938 54.840 0.246 0.000 0.754 203 L CB -0.433 41.718 42.059 0.152 0.000 0.893 203 L HN 0.950 nan 8.230 nan 0.000 0.433 204 E N -0.713 119.525 120.200 0.062 0.000 2.072 204 E HA -0.271 4.079 4.350 -0.000 0.000 0.191 204 E C 2.131 178.713 176.600 -0.030 0.000 0.985 204 E CA 1.174 57.581 56.400 0.010 0.000 0.801 204 E CB 0.082 29.762 29.700 -0.033 0.000 0.750 204 E HN 0.572 nan 8.360 nan 0.000 0.452 205 Q N -1.005 118.703 119.800 -0.153 0.000 2.172 205 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 205 Q C 1.635 177.637 176.000 0.004 0.000 0.964 205 Q CA 1.122 56.717 55.803 -0.347 0.000 0.855 205 Q CB -0.056 28.214 28.738 -0.780 0.000 0.918 205 Q HN 0.440 nan 8.270 nan 0.000 0.444 206 W N 0.944 122.288 121.300 0.074 0.000 2.436 206 W HA -0.132 4.528 4.660 -0.000 0.000 0.284 206 W C 2.241 178.823 176.519 0.106 0.000 1.225 206 W CA 0.522 57.977 57.345 0.183 0.000 1.271 206 W CB 0.241 29.825 29.460 0.206 0.000 1.114 206 W HN 0.210 nan 8.180 nan 0.000 0.559 207 Q N -0.562 119.385 119.800 0.246 0.000 2.079 207 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 207 Q C 2.085 178.109 176.000 0.041 0.000 0.974 207 Q CA 2.179 58.037 55.803 0.092 0.000 0.840 207 Q CB -0.515 28.263 28.738 0.066 0.000 0.898 207 Q HN 0.149 nan 8.270 nan 0.000 0.430 208 T N 1.218 115.833 114.554 0.102 0.000 2.684 208 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 208 T C 1.642 176.416 174.700 0.123 0.000 1.036 208 T CA 0.960 63.137 62.100 0.128 0.000 1.148 208 T CB -0.222 68.801 68.868 0.258 0.000 0.863 208 T HN 0.065 nan 8.240 nan 0.000 0.436 209 L N 0.999 122.353 121.223 0.218 0.000 2.083 209 L HA 0.067 4.407 4.340 -0.000 0.000 0.209 209 L C 2.693 179.538 176.870 -0.041 0.000 1.083 209 L CA 1.486 56.474 54.840 0.247 0.000 0.752 209 L CB -1.323 40.985 42.059 0.415 0.000 0.899 209 L HN 0.265 nan 8.230 nan 0.000 0.433 210 A N -1.654 120.912 122.820 -0.424 0.000 1.898 210 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 210 A C 2.281 179.641 177.584 -0.375 0.000 1.181 210 A CA 1.511 53.022 52.037 -0.877 0.000 0.620 210 A CB -0.461 18.067 19.000 -0.786 0.000 0.819 210 A HN 0.473 nan 8.150 nan 0.000 0.442 211 Q N -1.201 118.465 119.800 -0.224 0.000 2.119 211 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 211 Q C 1.944 177.829 176.000 -0.191 0.000 0.972 211 Q CA 1.320 57.013 55.803 -0.184 0.000 0.847 211 Q CB -0.189 28.478 28.738 -0.118 0.000 0.903 211 Q HN 0.548 nan 8.270 nan 0.000 0.433 212 L N -0.150 120.978 121.223 -0.158 0.000 2.093 212 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 212 L C 1.999 178.585 176.870 -0.474 0.000 1.085 212 L CA 1.680 56.377 54.840 -0.238 0.000 0.755 212 L CB -0.424 41.565 42.059 -0.117 0.000 0.904 212 L HN 0.068 nan 8.230 nan 0.000 0.435 213 S N -1.245 114.298 115.700 -0.262 0.000 2.382 213 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 213 S C 1.969 176.453 174.600 -0.193 0.000 1.027 213 S CA 1.383 59.495 58.200 -0.146 0.000 0.991 213 S CB -0.460 63.116 63.200 0.627 0.000 0.823 213 S HN 0.343 nan 8.310 nan 0.000 0.469 214 V N 1.710 121.478 119.914 -0.244 0.000 2.358 214 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 214 V C 2.476 178.423 176.094 -0.244 0.000 1.047 214 V CA 1.745 63.869 62.300 -0.293 0.000 1.035 214 V CB -0.577 31.026 31.823 -0.366 0.000 0.658 214 V HN 0.484 nan 8.190 nan 0.000 0.452 215 E N 0.061 120.096 120.200 -0.275 0.000 2.077 215 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 215 E C 2.105 178.533 176.600 -0.286 0.000 0.989 215 E CA 1.197 57.450 56.400 -0.245 0.000 0.800 215 E CB 0.035 29.593 29.700 -0.235 0.000 0.746 215 E HN 0.522 nan 8.360 nan 0.000 0.452 216 K N -1.228 118.885 120.400 -0.479 0.000 2.393 216 K HA 0.091 4.411 4.320 -0.000 0.000 0.193 216 K C 0.548 176.892 176.600 -0.427 0.000 1.026 216 K CA 0.480 56.443 56.287 -0.541 0.000 1.064 216 K CB 0.906 32.841 32.500 -0.941 0.000 0.833 216 K HN 0.249 nan 8.250 nan 0.000 0.521 217 G N 1.880 110.490 108.800 -0.316 0.000 2.256 217 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.272 217 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.272 217 G C -0.596 174.384 174.900 0.134 0.000 1.076 217 G CA -0.354 44.712 45.100 -0.057 0.000 0.882 217 G HN 0.110 nan 8.290 nan 0.000 0.497 218 W N -0.918 120.464 121.300 0.137 0.000 2.381 218 W HA 0.671 5.331 4.660 -0.000 0.000 0.329 218 W C 0.271 176.910 176.519 0.200 0.000 1.157 218 W CA -1.881 55.547 57.345 0.140 0.000 1.240 218 W CB 0.842 30.377 29.460 0.125 0.000 1.199 218 W HN 0.239 nan 8.180 nan 0.000 0.579 219 L N 5.638 127.086 121.223 0.375 0.000 2.261 219 L HA 0.429 4.769 4.340 -0.000 0.000 0.289 219 L C -2.318 174.701 176.870 0.250 0.000 1.059 219 L CA -1.842 53.167 54.840 0.281 0.000 0.816 219 L CB 0.419 42.608 42.059 0.216 0.000 1.191 219 L HN -0.003 nan 8.230 nan 0.000 0.431 220 P HA 0.190 nan 4.420 nan 0.000 0.276 220 P C -1.137 176.281 177.300 0.197 0.000 1.235 220 P CA 0.030 63.277 63.100 0.245 0.000 0.772 220 P CB 0.717 32.562 31.700 0.242 0.000 0.871 221 L N 4.804 126.101 121.223 0.123 0.000 2.345 221 L HA 0.469 4.809 4.340 -0.000 0.000 0.274 221 L C -1.059 175.868 176.870 0.095 0.000 0.999 221 L CA -0.805 54.115 54.840 0.132 0.000 0.849 221 L CB 0.304 42.404 42.059 0.067 0.000 1.220 221 L HN 0.228 nan 8.230 nan 0.000 0.422 222 F N 2.899 122.882 119.950 0.055 0.000 2.411 222 F HA 0.253 4.780 4.527 -0.000 0.000 0.350 222 F C 0.573 176.409 175.800 0.061 0.000 1.114 222 F CA -0.172 57.841 58.000 0.022 0.000 1.135 222 F CB 1.036 39.945 39.000 -0.152 0.000 1.120 222 F HN 0.375 nan 8.300 nan 0.000 0.495 223 D N 4.111 124.623 120.400 0.186 0.000 2.329 223 D HA 0.159 4.799 4.640 -0.000 0.000 0.232 223 D C -1.375 175.085 176.300 0.267 0.000 1.088 223 D CA -0.104 53.984 54.000 0.147 0.000 0.835 223 D CB 0.581 41.374 40.800 -0.011 0.000 1.078 223 D HN 0.211 nan 8.370 nan 0.000 0.495 224 F N 3.411 123.371 119.950 0.017 0.000 2.660 224 F HA 0.436 4.963 4.527 0.000 0.000 0.352 224 F C 0.392 176.121 175.800 -0.117 0.000 1.257 224 F CA -1.189 56.813 58.000 0.004 0.000 1.200 224 F CB 0.801 39.797 39.000 -0.007 0.000 1.473 224 F HN 0.456 nan 8.300 nan 0.000 0.561 225 A N 2.452 125.224 122.820 -0.081 0.000 2.220 225 A HA 0.122 4.442 4.320 -0.000 0.000 0.211 225 A C -0.006 177.195 177.584 -0.640 0.000 1.176 225 A CA 0.526 52.317 52.037 -0.410 0.000 0.834 225 A CB -0.198 18.465 19.000 -0.561 0.000 0.868 225 A HN 0.442 nan 8.150 nan 0.000 0.488 226 Y N 0.339 120.607 120.300 -0.054 0.000 2.669 226 Y HA 0.321 4.871 4.550 -0.000 0.000 0.302 226 Y C 0.498 176.454 175.900 0.094 0.000 1.000 226 Y CA -0.778 57.353 58.100 0.051 0.000 1.222 226 Y CB 0.019 38.502 38.460 0.039 0.000 1.209 226 Y HN 0.355 nan 8.280 nan 0.000 0.571 227 Q N 0.357 120.086 119.800 -0.119 0.000 2.286 227 Q HA 0.403 4.743 4.340 -0.000 0.000 0.267 227 Q C 1.067 177.048 176.000 -0.032 0.000 1.028 227 Q CA 1.137 56.813 55.803 -0.210 0.000 0.901 227 Q CB 0.419 28.804 28.738 -0.589 0.000 1.183 227 Q HN 0.809 nan 8.270 nan 0.000 0.392 228 G N 3.183 111.960 108.800 -0.039 0.000 2.218 228 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 228 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 228 G C 0.191 174.929 174.900 -0.271 0.000 0.994 228 G CA 0.038 45.019 45.100 -0.198 0.000 0.637 228 G HN 0.660 nan 8.290 nan 0.000 0.505 229 F N 1.401 121.356 119.950 0.008 0.000 2.754 229 F HA 0.569 5.096 4.527 -0.000 0.000 0.297 229 F C 2.476 178.285 175.800 0.014 0.000 1.122 229 F CA 1.370 59.377 58.000 0.012 0.000 1.400 229 F CB 0.228 39.273 39.000 0.075 0.000 1.117 229 F HN 0.380 nan 8.300 nan 0.000 0.587 230 A N 0.382 123.313 122.820 0.184 0.000 1.972 230 A HA 0.152 4.472 4.320 -0.000 0.000 0.219 230 A C 2.078 179.713 177.584 0.084 0.000 1.467 230 A CA 0.647 52.773 52.037 0.147 0.000 0.631 230 A CB -0.129 18.986 19.000 0.191 0.000 1.143 230 A HN 0.207 nan 8.150 nan 0.000 0.502 231 R N -1.922 118.619 120.500 0.069 0.000 2.276 231 R HA 0.412 4.752 4.340 -0.000 0.000 0.195 231 R C 0.583 176.875 176.300 -0.013 0.000 0.908 231 R CA 0.630 56.749 56.100 0.033 0.000 1.083 231 R CB 0.951 31.284 30.300 0.055 0.000 1.182 231 R HN 0.640 nan 8.270 nan 0.000 0.608 232 G N -0.811 107.980 108.800 -0.015 0.000 2.316 232 G HA2 0.111 4.071 3.960 -0.000 0.000 0.296 232 G HA3 0.111 4.071 3.960 -0.000 0.000 0.296 232 G C -0.042 174.835 174.900 -0.040 0.000 1.399 232 G CA -0.898 44.161 45.100 -0.067 0.000 0.833 232 G HN -0.035 nan 8.290 nan 0.000 0.565 233 L N -0.091 121.088 121.223 -0.074 0.000 2.013 233 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 233 L C 2.704 179.584 176.870 0.016 0.000 1.073 233 L CA 1.600 56.418 54.840 -0.038 0.000 0.753 233 L CB -0.165 41.868 42.059 -0.043 0.000 0.890 233 L HN 0.548 nan 8.230 nan 0.000 0.432 234 E N -0.256 119.952 120.200 0.014 0.000 2.170 234 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 234 E C 2.079 178.707 176.600 0.048 0.000 0.981 234 E CA 0.697 57.116 56.400 0.032 0.000 0.830 234 E CB 0.005 29.715 29.700 0.017 0.000 0.775 234 E HN 0.492 nan 8.360 nan 0.000 0.470 235 E N 1.184 121.412 120.200 0.047 0.000 2.072 235 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 235 E C 1.556 178.216 176.600 0.102 0.000 0.985 235 E CA 1.130 57.568 56.400 0.064 0.000 0.801 235 E CB -0.122 29.612 29.700 0.057 0.000 0.750 235 E HN 0.121 nan 8.360 nan 0.000 0.452 236 D N 0.041 120.521 120.400 0.134 0.000 2.263 236 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 236 D C 1.292 177.758 176.300 0.278 0.000 0.971 236 D CA 1.222 55.359 54.000 0.229 0.000 0.867 236 D CB -0.130 40.812 40.800 0.236 0.000 0.929 236 D HN 0.223 nan 8.370 nan 0.000 0.492 237 A N 0.141 123.087 122.820 0.211 0.000 2.275 237 A HA 0.031 4.351 4.320 -0.000 0.000 0.212 237 A C 1.761 179.275 177.584 -0.117 0.000 1.201 237 A CA 0.052 52.148 52.037 0.097 0.000 0.843 237 A CB -0.174 18.915 19.000 0.149 0.000 0.873 237 A HN 0.080 nan 8.150 nan 0.000 0.492 238 E N -0.050 120.106 120.200 -0.072 0.000 2.118 238 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 238 E C 2.042 178.517 176.600 -0.209 0.000 0.992 238 E CA 1.037 57.388 56.400 -0.082 0.000 0.804 238 E CB -0.187 29.520 29.700 0.011 0.000 0.741 238 E HN 0.631 nan 8.360 nan 0.000 0.458 239 G N 1.271 109.769 108.800 -0.503 0.000 2.402 239 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.216 239 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.216 239 G C 1.483 175.936 174.900 -0.746 0.000 1.162 239 G CA 0.091 44.559 45.100 -1.053 0.000 0.777 239 G HN 0.145 nan 8.290 nan 0.000 0.539 240 L N 0.164 120.826 121.223 -0.935 0.000 2.027 240 L HA 0.050 4.390 4.340 -0.000 0.000 0.206 240 L C 2.984 179.585 176.870 -0.449 0.000 1.074 240 L CA 1.333 55.467 54.840 -1.177 0.000 0.745 240 L CB -0.375 40.951 42.059 -1.221 0.000 0.898 240 L HN 0.199 nan 8.230 nan 0.000 0.433 241 R N -0.409 119.946 120.500 -0.242 0.000 2.115 241 R HA -0.094 4.246 4.340 -0.000 0.000 0.230 241 R C 2.262 178.553 176.300 -0.014 0.000 1.111 241 R CA 1.122 57.190 56.100 -0.055 0.000 0.976 241 R CB -0.289 30.000 30.300 -0.019 0.000 0.870 241 R HN 0.461 nan 8.270 nan 0.000 0.445 242 A N 0.354 123.171 122.820 -0.006 0.000 1.930 242 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 242 A C 1.777 179.416 177.584 0.091 0.000 1.175 242 A CA 1.077 53.145 52.037 0.051 0.000 0.627 242 A CB -0.425 18.630 19.000 0.093 0.000 0.815 242 A HN 0.191 nan 8.150 nan 0.000 0.443 243 F N 0.003 119.941 119.950 -0.021 0.000 2.163 243 F HA 0.023 4.550 4.527 -0.000 0.000 0.297 243 F C 2.745 178.613 175.800 0.114 0.000 1.094 243 F CA 0.968 59.038 58.000 0.117 0.000 1.290 243 F CB -0.373 38.676 39.000 0.083 0.000 1.017 243 F HN 0.244 nan 8.300 nan 0.000 0.483 244 A N -0.234 122.681 122.820 0.158 0.000 2.019 244 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 244 A C 2.322 179.914 177.584 0.012 0.000 1.164 244 A CA 1.624 53.684 52.037 0.038 0.000 0.644 244 A CB -1.162 17.784 19.000 -0.091 0.000 0.805 244 A HN 0.306 nan 8.150 nan 0.000 0.449 245 A N -1.088 121.743 122.820 0.020 0.000 1.968 245 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 245 A C 2.130 179.707 177.584 -0.011 0.000 1.169 245 A CA 1.471 53.502 52.037 -0.009 0.000 0.638 245 A CB -0.336 18.656 19.000 -0.013 0.000 0.812 245 A HN 0.459 nan 8.150 nan 0.000 0.446 246 M N -0.832 118.770 119.600 0.003 0.000 2.476 246 M HA 0.092 4.572 4.480 -0.000 0.000 0.262 246 M C 0.077 176.289 176.300 -0.146 0.000 1.111 246 M CA 0.648 55.893 55.300 -0.092 0.000 1.127 246 M CB -0.242 32.257 32.600 -0.170 0.000 1.376 246 M HN 0.329 nan 8.290 nan 0.000 0.465 247 H N 0.393 119.471 119.070 0.014 0.000 2.463 247 H HA 0.249 4.805 4.556 -0.000 0.000 0.332 247 H C 0.415 175.759 175.328 0.027 0.000 1.127 247 H CA -0.030 56.050 56.048 0.052 0.000 1.238 247 H CB 1.944 31.791 29.762 0.142 0.000 1.478 247 H HN 0.035 nan 8.280 nan 0.000 0.499 248 K N 1.385 121.885 120.400 0.166 0.000 2.137 248 K HA 0.019 4.339 4.320 -0.000 0.000 0.202 248 K C -0.150 176.522 176.600 0.120 0.000 1.052 248 K CA 0.933 57.281 56.287 0.102 0.000 0.961 248 K CB 0.471 33.017 32.500 0.076 0.000 0.741 248 K HN 0.602 nan 8.250 nan 0.000 0.452 249 E N 0.505 120.817 120.200 0.186 0.000 2.272 249 E HA 0.422 4.772 4.350 -0.000 0.000 0.269 249 E C -1.414 175.287 176.600 0.168 0.000 0.877 249 E CA -0.757 55.741 56.400 0.163 0.000 0.755 249 E CB 2.021 31.824 29.700 0.172 0.000 1.192 249 E HN -0.040 nan 8.360 nan 0.000 0.422 250 L N -0.499 120.809 121.223 0.141 0.000 2.794 250 L HA 0.673 5.013 4.340 -0.000 0.000 0.261 250 L C -1.567 175.404 176.870 0.168 0.000 0.989 250 L CA -1.059 53.870 54.840 0.148 0.000 0.900 250 L CB 0.942 43.073 42.059 0.119 0.000 1.473 250 L HN 0.598 nan 8.230 nan 0.000 0.414 251 I N 0.823 121.510 120.570 0.195 0.000 2.545 251 I HA 0.884 5.054 4.170 -0.000 0.000 0.292 251 I C -1.427 174.816 176.117 0.210 0.000 1.040 251 I CA -0.804 60.609 61.300 0.188 0.000 1.068 251 I CB 2.169 40.280 38.000 0.186 0.000 1.251 251 I HN 0.801 nan 8.210 nan 0.000 0.424 252 V N 6.657 126.683 119.914 0.186 0.000 2.487 252 V HA 0.911 5.031 4.120 -0.000 0.000 0.298 252 V C -0.221 175.962 176.094 0.148 0.000 1.028 252 V CA -0.040 62.367 62.300 0.179 0.000 0.860 252 V CB 1.369 33.253 31.823 0.102 0.000 0.991 252 V HN 1.180 nan 8.190 nan 0.000 0.427 253 A N 5.137 128.054 122.820 0.161 0.000 2.341 253 A HA 0.716 5.036 4.320 -0.000 0.000 0.326 253 A C 0.251 177.881 177.584 0.076 0.000 1.402 253 A CA 0.099 52.207 52.037 0.119 0.000 0.957 253 A CB 0.447 19.527 19.000 0.134 0.000 1.151 253 A HN 1.331 nan 8.150 nan 0.000 0.533 254 S N 2.186 117.893 115.700 0.011 0.000 2.654 254 S HA 0.740 5.210 4.470 -0.000 0.000 0.283 254 S C 0.051 174.523 174.600 -0.215 0.000 1.180 254 S CA -0.108 58.020 58.200 -0.120 0.000 1.021 254 S CB 1.269 64.364 63.200 -0.175 0.000 1.018 254 S HN 1.111 nan 8.310 nan 0.000 0.532 255 S N 1.637 117.119 115.700 -0.363 0.000 2.549 255 S HA 0.627 5.097 4.470 -0.000 0.000 0.280 255 S C -1.397 172.930 174.600 -0.455 0.000 1.109 255 S CA -0.530 57.478 58.200 -0.319 0.000 0.905 255 S CB 0.931 63.972 63.200 -0.264 0.000 1.081 255 S HN 0.751 nan 8.310 nan 0.000 0.477 256 Y N 1.730 121.978 120.300 -0.087 0.000 2.557 256 Y HA 0.296 4.846 4.550 0.000 0.000 0.247 256 Y C 2.164 178.035 175.900 -0.049 0.000 1.164 256 Y CA -0.158 57.920 58.100 -0.036 0.000 1.218 256 Y CB 0.252 38.611 38.460 -0.170 0.000 1.210 256 Y HN 0.585 nan 8.280 nan 0.000 0.529 257 S N 0.250 115.930 115.700 -0.032 0.000 2.359 257 S HA -0.215 4.255 4.470 -0.000 0.000 0.224 257 S C 1.910 176.258 174.600 -0.419 0.000 1.035 257 S CA 1.750 59.838 58.200 -0.187 0.000 1.018 257 S CB -0.011 63.129 63.200 -0.100 0.000 0.876 257 S HN 0.308 nan 8.310 nan 0.000 0.448 258 K N 2.009 122.286 120.400 -0.205 0.000 1.975 258 K HA 0.023 4.343 4.320 -0.000 0.000 0.210 258 K C 1.732 178.452 176.600 0.199 0.000 1.041 258 K CA 1.416 57.658 56.287 -0.075 0.000 0.942 258 K CB -0.411 31.949 32.500 -0.233 0.000 0.729 258 K HN 0.429 nan 8.250 nan 0.000 0.439 259 N N -0.353 118.552 118.700 0.342 0.000 2.550 259 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 259 N C 0.730 176.417 175.510 0.295 0.000 1.110 259 N CA 1.024 54.284 53.050 0.350 0.000 0.912 259 N CB -0.199 38.492 38.487 0.340 0.000 0.968 259 N HN 0.115 nan 8.380 nan 0.000 0.448 260 F N -0.693 119.365 119.950 0.181 0.000 2.706 260 F HA 0.410 4.937 4.527 -0.000 0.000 0.313 260 F C 1.579 177.369 175.800 -0.016 0.000 1.096 260 F CA -0.014 58.053 58.000 0.111 0.000 1.219 260 F CB 0.428 39.387 39.000 -0.068 0.000 1.051 260 F HN 0.145 nan 8.300 nan 0.000 0.568 261 G N 1.471 110.252 108.800 -0.032 0.000 2.283 261 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.280 261 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.280 261 G C 0.520 175.265 174.900 -0.257 0.000 1.029 261 G CA 0.321 45.270 45.100 -0.251 0.000 0.840 261 G HN 0.401 nan 8.290 nan 0.000 0.505 262 L N -0.164 120.906 121.223 -0.255 0.000 2.912 262 L HA 0.293 4.633 4.340 -0.000 0.000 0.240 262 L C 2.100 178.921 176.870 -0.083 0.000 1.262 262 L CA -0.813 53.971 54.840 -0.094 0.000 1.058 262 L CB -0.341 41.691 42.059 -0.044 0.000 1.383 262 L HN 0.313 nan 8.230 nan 0.000 0.512 263 Y N 0.720 121.067 120.300 0.079 0.000 2.029 263 Y HA -0.393 4.157 4.550 -0.000 0.000 0.269 263 Y C 2.481 178.401 175.900 0.033 0.000 1.201 263 Y CA 2.056 60.187 58.100 0.051 0.000 1.115 263 Y CB -0.663 37.830 38.460 0.055 0.000 0.945 263 Y HN 0.564 nan 8.280 nan 0.000 0.497 264 N N -0.500 118.319 118.700 0.198 0.000 2.398 264 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 264 N C 0.801 176.349 175.510 0.062 0.000 1.122 264 N CA 0.791 53.908 53.050 0.112 0.000 0.866 264 N CB -0.288 38.260 38.487 0.101 0.000 0.970 264 N HN 0.361 nan 8.380 nan 0.000 0.462 265 E N 0.778 121.009 120.200 0.053 0.000 2.478 265 E HA 0.072 4.422 4.350 -0.000 0.000 0.194 265 E C -0.218 176.371 176.600 -0.019 0.000 1.045 265 E CA -0.058 56.358 56.400 0.025 0.000 0.868 265 E CB 0.101 29.824 29.700 0.039 0.000 0.885 265 E HN 0.219 nan 8.360 nan 0.000 0.505 266 R N 0.039 120.528 120.500 -0.018 0.000 3.076 266 R HA -0.128 4.212 4.340 -0.000 0.000 0.261 266 R C -0.487 175.770 176.300 -0.073 0.000 0.930 266 R CA 0.291 56.365 56.100 -0.044 0.000 0.649 266 R CB -2.729 27.530 30.300 -0.068 0.000 1.350 266 R HN 0.096 nan 8.270 nan 0.000 0.453 267 V N 0.048 119.937 119.914 -0.042 0.000 2.444 267 V HA 0.923 5.043 4.120 -0.000 0.000 0.294 267 V C 0.383 176.551 176.094 0.123 0.000 1.022 267 V CA 0.543 62.827 62.300 -0.027 0.000 0.850 267 V CB 1.865 33.628 31.823 -0.099 0.000 0.992 267 V HN 0.697 nan 8.190 nan 0.000 0.426 268 G N 4.269 113.162 108.800 0.154 0.000 2.682 268 G HA2 0.944 4.904 3.960 -0.000 0.000 0.303 268 G HA3 0.944 4.904 3.960 -0.000 0.000 0.303 268 G C -1.198 173.872 174.900 0.284 0.000 1.341 268 G CA -0.274 44.935 45.100 0.181 0.000 0.784 268 G HN 1.689 nan 8.290 nan 0.000 0.497 269 A N -1.606 121.320 122.820 0.177 0.000 2.547 269 A HA 0.607 4.927 4.320 -0.000 0.000 0.297 269 A C -1.173 176.489 177.584 0.130 0.000 1.056 269 A CA -0.302 51.864 52.037 0.216 0.000 0.688 269 A CB 1.386 20.512 19.000 0.211 0.000 1.282 269 A HN 1.787 nan 8.150 nan 0.000 0.400 270 C N 2.393 121.787 119.300 0.158 0.000 2.291 270 C HA 0.762 5.222 4.460 -0.000 0.000 0.322 270 C C 0.074 175.151 174.990 0.146 0.000 1.205 270 C CA 0.042 59.146 59.018 0.142 0.000 1.495 270 C CB -0.723 27.106 27.740 0.147 0.000 2.127 270 C HN 0.791 nan 8.230 nan 0.000 0.452 271 T N 6.622 121.246 114.554 0.117 0.000 2.771 271 T HA 0.462 4.812 4.350 -0.000 0.000 0.281 271 T C -0.571 174.201 174.700 0.120 0.000 0.982 271 T CA -0.221 61.944 62.100 0.110 0.000 0.978 271 T CB 1.144 70.077 68.868 0.108 0.000 0.930 271 T HN 0.592 nan 8.240 nan 0.000 0.447 272 L N 5.666 126.937 121.223 0.081 0.000 2.296 272 L HA 0.765 5.105 4.340 -0.000 0.000 0.286 272 L C -0.473 176.430 176.870 0.055 0.000 1.023 272 L CA -0.604 54.270 54.840 0.056 0.000 0.812 272 L CB 1.190 43.259 42.059 0.017 0.000 1.223 272 L HN 0.522 nan 8.230 nan 0.000 0.421 273 V N 3.223 123.180 119.914 0.071 0.000 2.823 273 V HA 1.064 5.184 4.120 -0.000 0.000 0.312 273 V C -0.586 175.540 176.094 0.053 0.000 1.072 273 V CA 0.247 62.562 62.300 0.026 0.000 0.937 273 V CB 1.348 33.142 31.823 -0.048 0.000 1.013 273 V HN 1.112 nan 8.190 nan 0.000 0.430 274 A N 3.589 126.431 122.820 0.037 0.000 2.507 274 A HA 0.980 5.300 4.320 -0.000 0.000 0.284 274 A C 1.093 178.697 177.584 0.034 0.000 1.281 274 A CA -0.211 51.862 52.037 0.061 0.000 0.744 274 A CB 0.885 19.933 19.000 0.080 0.000 1.332 274 A HN 2.130 nan 8.150 nan 0.000 0.454 275 A N -0.699 122.146 122.820 0.041 0.000 1.930 275 A HA 0.281 4.601 4.320 -0.000 0.000 0.217 275 A C 0.517 178.106 177.584 0.008 0.000 1.175 275 A CA 2.326 54.378 52.037 0.024 0.000 0.627 275 A CB -0.774 18.244 19.000 0.031 0.000 0.815 275 A HN 1.055 nan 8.150 nan 0.000 0.443 276 D N -4.702 115.706 120.400 0.014 0.000 2.615 276 D HA 0.391 5.031 4.640 -0.000 0.000 0.267 276 D C 0.541 176.846 176.300 0.009 0.000 1.236 276 D CA 0.058 54.061 54.000 0.006 0.000 0.839 276 D CB 0.639 41.445 40.800 0.010 0.000 1.380 276 D HN -0.140 nan 8.370 nan 0.000 0.433 277 S N -0.664 115.037 115.700 0.003 0.000 2.368 277 S HA -0.307 4.163 4.470 -0.000 0.000 0.226 277 S C 1.536 176.148 174.600 0.019 0.000 1.044 277 S CA 1.924 60.126 58.200 0.004 0.000 1.062 277 S CB -0.482 62.718 63.200 -0.000 0.000 0.931 277 S HN 0.539 nan 8.310 nan 0.000 0.440 278 E N -0.310 119.905 120.200 0.025 0.000 2.077 278 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 278 E C 2.031 178.662 176.600 0.051 0.000 0.989 278 E CA 1.712 58.133 56.400 0.035 0.000 0.800 278 E CB -0.442 29.276 29.700 0.030 0.000 0.746 278 E HN 0.641 nan 8.360 nan 0.000 0.452 279 T N 0.554 115.140 114.554 0.052 0.000 2.770 279 T HA -0.096 4.254 4.350 -0.000 0.000 0.263 279 T C 1.940 176.694 174.700 0.091 0.000 1.039 279 T CA 1.071 63.214 62.100 0.071 0.000 1.142 279 T CB -0.392 68.516 68.868 0.066 0.000 0.868 279 T HN 0.031 nan 8.240 nan 0.000 0.435 280 V N 2.039 121.996 119.914 0.073 0.000 2.490 280 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 280 V C 1.895 178.053 176.094 0.106 0.000 1.061 280 V CA 1.957 64.303 62.300 0.078 0.000 1.064 280 V CB -0.548 31.289 31.823 0.023 0.000 0.670 280 V HN 0.376 nan 8.190 nan 0.000 0.461 281 D N -0.579 119.874 120.400 0.089 0.000 2.178 281 D HA -0.117 4.523 4.640 -0.000 0.000 0.202 281 D C 2.336 178.730 176.300 0.157 0.000 0.974 281 D CA 1.010 55.084 54.000 0.123 0.000 0.841 281 D CB -0.228 40.619 40.800 0.079 0.000 0.953 281 D HN 0.361 nan 8.370 nan 0.000 0.478 282 R N 0.309 120.885 120.500 0.127 0.000 2.075 282 R HA -0.017 4.323 4.340 -0.000 0.000 0.232 282 R C 2.141 178.538 176.300 0.161 0.000 1.126 282 R CA 1.309 57.483 56.100 0.122 0.000 0.963 282 R CB -0.124 30.235 30.300 0.100 0.000 0.858 282 R HN 0.114 nan 8.270 nan 0.000 0.435 283 A N -0.069 122.871 122.820 0.199 0.000 1.898 283 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 283 A C 1.917 179.648 177.584 0.246 0.000 1.181 283 A CA 1.029 53.238 52.037 0.288 0.000 0.620 283 A CB -0.620 18.558 19.000 0.297 0.000 0.819 283 A HN 0.414 nan 8.150 nan 0.000 0.442 284 F N 1.828 121.794 119.950 0.027 0.000 2.293 284 F HA -0.129 4.398 4.527 -0.000 0.000 0.300 284 F C 2.660 178.469 175.800 0.015 0.000 1.086 284 F CA 1.479 59.461 58.000 -0.030 0.000 1.375 284 F CB -0.166 38.821 39.000 -0.022 0.000 1.045 284 F HN 0.327 nan 8.300 nan 0.000 0.516 285 S N -0.907 114.822 115.700 0.049 0.000 2.423 285 S HA -0.168 4.302 4.470 -0.000 0.000 0.231 285 S C 1.838 176.408 174.600 -0.050 0.000 1.014 285 S CA 0.706 58.889 58.200 -0.030 0.000 0.965 285 S CB -0.449 62.777 63.200 0.044 0.000 0.785 285 S HN 0.419 nan 8.310 nan 0.000 0.495 286 Q N 0.595 120.421 119.800 0.043 0.000 2.187 286 Q HA 0.153 4.493 4.340 -0.000 0.000 0.199 286 Q C 2.077 178.136 176.000 0.099 0.000 0.957 286 Q CA 1.098 56.963 55.803 0.102 0.000 0.857 286 Q CB -0.417 28.455 28.738 0.225 0.000 0.929 286 Q HN 0.704 nan 8.270 nan 0.000 0.453 287 M N 0.452 120.052 119.600 -0.001 0.000 2.175 287 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 287 M C 1.738 177.869 176.300 -0.281 0.000 1.063 287 M CA 1.367 56.578 55.300 -0.149 0.000 1.119 287 M CB 0.148 32.482 32.600 -0.443 0.000 1.377 287 M HN -0.034 nan 8.290 nan 0.000 0.415 288 K N 0.012 120.149 120.400 -0.439 0.000 2.097 288 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 288 K C 1.964 178.443 176.600 -0.201 0.000 1.050 288 K CA 1.389 57.460 56.287 -0.361 0.000 0.938 288 K CB -0.254 32.032 32.500 -0.357 0.000 0.718 288 K HN 0.422 nan 8.250 nan 0.000 0.442 289 A N 1.502 124.242 122.820 -0.133 0.000 1.930 289 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 289 A C 2.347 179.882 177.584 -0.082 0.000 1.175 289 A CA 1.681 53.665 52.037 -0.088 0.000 0.627 289 A CB -0.468 18.505 19.000 -0.045 0.000 0.815 289 A HN 0.317 nan 8.150 nan 0.000 0.443 290 A N -0.139 122.648 122.820 -0.056 0.000 1.930 290 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 290 A C 2.078 179.599 177.584 -0.105 0.000 1.175 290 A CA 1.380 53.395 52.037 -0.036 0.000 0.627 290 A CB -0.525 18.502 19.000 0.045 0.000 0.815 290 A HN 0.491 nan 8.150 nan 0.000 0.443 291 I N -1.012 119.454 120.570 -0.174 0.000 2.202 291 I HA -0.211 3.959 4.170 -0.000 0.000 0.242 291 I C 2.627 178.505 176.117 -0.399 0.000 1.091 291 I CA 1.567 62.663 61.300 -0.341 0.000 1.368 291 I CB -0.201 37.608 38.000 -0.317 0.000 1.058 291 I HN 0.264 nan 8.210 nan 0.000 0.410 292 R N 1.999 122.342 120.500 -0.261 0.000 2.120 292 R HA -0.070 4.270 4.340 -0.000 0.000 0.234 292 R C 1.778 177.975 176.300 -0.170 0.000 1.123 292 R CA 1.718 57.689 56.100 -0.215 0.000 0.975 292 R CB -0.645 29.562 30.300 -0.154 0.000 0.866 292 R HN 0.333 nan 8.270 nan 0.000 0.446 293 A N -0.125 122.614 122.820 -0.136 0.000 2.276 293 A HA 0.097 4.417 4.320 -0.000 0.000 0.212 293 A C 1.219 178.753 177.584 -0.082 0.000 1.230 293 A CA 0.470 52.455 52.037 -0.087 0.000 0.844 293 A CB -0.541 18.424 19.000 -0.057 0.000 0.860 293 A HN 0.457 nan 8.150 nan 0.000 0.486 294 N N -0.760 117.856 118.700 -0.140 0.000 3.039 294 N HA 0.168 4.908 4.740 -0.000 0.000 0.188 294 N C 0.152 175.643 175.510 -0.032 0.000 1.310 294 N CA 0.507 53.514 53.050 -0.072 0.000 1.111 294 N CB -0.049 38.398 38.487 -0.067 0.000 1.311 294 N HN 0.311 nan 8.380 nan 0.000 0.490 295 Y N -0.627 119.670 120.300 -0.005 0.000 2.480 295 Y HA 0.646 5.196 4.550 -0.000 0.000 0.323 295 Y C 1.612 177.505 175.900 -0.012 0.000 1.267 295 Y CA -0.698 57.401 58.100 -0.002 0.000 1.336 295 Y CB 0.267 38.728 38.460 0.003 0.000 1.361 295 Y HN 0.086 nan 8.280 nan 0.000 0.518 296 S N -0.396 115.279 115.700 -0.041 0.000 2.468 296 S HA 0.178 4.648 4.470 -0.000 0.000 0.226 296 S C -0.186 174.315 174.600 -0.166 0.000 1.051 296 S CA 0.317 58.421 58.200 -0.160 0.000 0.943 296 S CB -0.592 62.541 63.200 -0.111 0.000 0.810 296 S HN 0.874 nan 8.310 nan 0.000 0.509 297 N N 0.277 118.994 118.700 0.028 0.000 2.927 297 N HA 0.411 5.151 4.740 -0.000 0.000 0.248 297 N C -3.550 172.142 175.510 0.303 0.000 1.443 297 N CA -1.367 51.749 53.050 0.111 0.000 0.870 297 N CB 1.063 39.591 38.487 0.067 0.000 1.444 297 N HN -0.028 nan 8.380 nan 0.000 0.519 298 P HA 0.440 nan 4.420 nan 0.000 0.285 298 P C -2.680 174.630 177.300 0.018 0.000 1.269 298 P CA -1.440 61.736 63.100 0.126 0.000 0.844 298 P CB 0.061 31.798 31.700 0.062 0.000 1.094 299 P HA 0.066 nan 4.420 nan 0.000 0.266 299 P C 0.181 177.434 177.300 -0.077 0.000 1.215 299 P CA 0.136 63.204 63.100 -0.053 0.000 0.763 299 P CB 0.676 32.333 31.700 -0.071 0.000 0.806 300 A N 3.453 126.247 122.820 -0.044 0.000 1.929 300 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 300 A C 2.131 179.678 177.584 -0.062 0.000 1.176 300 A CA 1.395 53.392 52.037 -0.066 0.000 0.628 300 A CB -1.439 17.543 19.000 -0.030 0.000 0.816 300 A HN 0.614 nan 8.150 nan 0.000 0.444 301 H N -0.064 118.945 119.070 -0.101 0.000 2.265 301 H HA -0.124 4.432 4.556 -0.000 0.000 0.295 301 H C 2.245 177.501 175.328 -0.120 0.000 1.084 301 H CA 2.357 58.350 56.048 -0.090 0.000 1.261 301 H CB -0.610 29.113 29.762 -0.065 0.000 1.360 301 H HN 0.349 nan 8.280 nan 0.000 0.487 302 G N -0.598 108.120 108.800 -0.137 0.000 2.418 302 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 302 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 302 G C 1.860 176.564 174.900 -0.326 0.000 1.158 302 G CA 0.931 45.898 45.100 -0.222 0.000 0.771 302 G HN 0.622 nan 8.290 nan 0.000 0.545 303 A N 1.081 123.689 122.820 -0.353 0.000 1.968 303 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 303 A C 2.638 180.013 177.584 -0.349 0.000 1.169 303 A CA 2.190 53.918 52.037 -0.514 0.000 0.638 303 A CB -0.435 18.093 19.000 -0.786 0.000 0.812 303 A HN 0.645 nan 8.150 nan 0.000 0.446 304 S N -0.886 114.650 115.700 -0.273 0.000 2.496 304 S HA 0.027 4.497 4.470 -0.000 0.000 0.224 304 S C 1.571 176.034 174.600 -0.228 0.000 0.996 304 S CA 0.850 58.934 58.200 -0.193 0.000 0.927 304 S CB -0.274 62.850 63.200 -0.126 0.000 0.774 304 S HN 0.175 nan 8.310 nan 0.000 0.524 305 V N 1.719 121.442 119.914 -0.319 0.000 2.307 305 V HA -0.112 4.008 4.120 -0.000 0.000 0.245 305 V C 2.601 178.484 176.094 -0.352 0.000 1.045 305 V CA 1.491 63.607 62.300 -0.306 0.000 1.024 305 V CB -0.696 30.926 31.823 -0.335 0.000 0.651 305 V HN 0.435 nan 8.190 nan 0.000 0.449 306 V N 0.439 120.034 119.914 -0.531 0.000 2.287 306 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 306 V C 2.709 178.496 176.094 -0.512 0.000 1.053 306 V CA 2.296 64.081 62.300 -0.857 0.000 1.027 306 V CB -1.133 30.041 31.823 -1.081 0.000 0.646 306 V HN 0.574 nan 8.190 nan 0.000 0.447 307 A N -0.665 121.987 122.820 -0.280 0.000 1.933 307 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 307 A C 2.379 179.854 177.584 -0.182 0.000 1.175 307 A CA 2.396 54.328 52.037 -0.175 0.000 0.628 307 A CB -0.929 18.037 19.000 -0.057 0.000 0.814 307 A HN 0.510 nan 8.150 nan 0.000 0.444 308 T N 0.241 114.680 114.554 -0.192 0.000 2.788 308 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 308 T C 1.761 176.336 174.700 -0.208 0.000 1.044 308 T CA 1.501 63.472 62.100 -0.215 0.000 1.139 308 T CB -0.354 68.382 68.868 -0.220 0.000 0.867 308 T HN 0.439 nan 8.240 nan 0.000 0.454 309 I N 0.265 120.724 120.570 -0.184 0.000 2.233 309 I HA -0.070 4.100 4.170 -0.000 0.000 0.243 309 I C 2.057 178.106 176.117 -0.114 0.000 1.093 309 I CA 0.711 61.935 61.300 -0.126 0.000 1.380 309 I CB -0.238 37.713 38.000 -0.082 0.000 1.067 309 I HN 0.141 nan 8.210 nan 0.000 0.413 310 L N 0.278 121.402 121.223 -0.166 0.000 2.265 310 L HA -0.141 4.199 4.340 -0.000 0.000 0.215 310 L C 2.429 179.243 176.870 -0.094 0.000 1.117 310 L CA 1.635 56.394 54.840 -0.134 0.000 0.782 310 L CB -0.773 41.158 42.059 -0.214 0.000 0.914 310 L HN 0.108 nan 8.230 nan 0.000 0.441 311 S N -1.552 114.081 115.700 -0.110 0.000 2.478 311 S HA 0.014 4.484 4.470 -0.000 0.000 0.222 311 S C 0.890 175.439 174.600 -0.084 0.000 1.008 311 S CA 0.027 58.172 58.200 -0.092 0.000 0.928 311 S CB -0.234 62.903 63.200 -0.105 0.000 0.781 311 S HN 0.477 nan 8.310 nan 0.000 0.518 312 N N 1.112 119.755 118.700 -0.095 0.000 2.424 312 N HA 0.178 4.918 4.740 -0.000 0.000 0.271 312 N C -0.039 175.443 175.510 -0.047 0.000 0.985 312 N CA -0.259 52.739 53.050 -0.088 0.000 0.921 312 N CB 0.978 39.382 38.487 -0.138 0.000 1.149 312 N HN -0.189 nan 8.380 nan 0.000 0.492 313 D N 2.480 122.861 120.400 -0.032 0.000 2.149 313 D HA -0.173 4.467 4.640 -0.000 0.000 0.198 313 D C 1.480 177.776 176.300 -0.006 0.000 0.990 313 D CA 1.178 55.170 54.000 -0.013 0.000 0.839 313 D CB -0.046 40.746 40.800 -0.013 0.000 0.948 313 D HN 0.658 nan 8.370 nan 0.000 0.460 314 A N 0.630 123.442 122.820 -0.014 0.000 1.854 314 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 314 A C 2.150 179.735 177.584 0.001 0.000 1.192 314 A CA 0.635 52.667 52.037 -0.008 0.000 0.611 314 A CB -0.646 18.347 19.000 -0.012 0.000 0.832 314 A HN 0.122 nan 8.150 nan 0.000 0.442 315 L N -0.209 121.009 121.223 -0.009 0.000 2.131 315 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 315 L C 2.496 179.403 176.870 0.061 0.000 1.092 315 L CA 1.803 56.647 54.840 0.006 0.000 0.759 315 L CB -0.670 41.363 42.059 -0.043 0.000 0.903 315 L HN 0.448 nan 8.230 nan 0.000 0.435 316 R N -1.110 119.429 120.500 0.066 0.000 2.090 316 R HA -0.087 4.253 4.340 -0.000 0.000 0.228 316 R C 2.158 178.548 176.300 0.150 0.000 1.110 316 R CA 1.109 57.305 56.100 0.159 0.000 0.973 316 R CB -0.113 30.255 30.300 0.113 0.000 0.869 316 R HN 0.366 nan 8.270 nan 0.000 0.440 317 A N 0.885 123.739 122.820 0.056 0.000 1.930 317 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 317 A C 2.056 179.629 177.584 -0.019 0.000 1.175 317 A CA 1.100 53.140 52.037 0.005 0.000 0.627 317 A CB -0.360 18.636 19.000 -0.006 0.000 0.815 317 A HN 0.312 nan 8.150 nan 0.000 0.443 318 I N -2.436 118.140 120.570 0.009 0.000 2.353 318 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 318 I C 2.368 178.476 176.117 -0.016 0.000 1.119 318 I CA 1.286 62.582 61.300 -0.006 0.000 1.417 318 I CB -0.281 37.729 38.000 0.017 0.000 1.078 318 I HN 0.731 nan 8.210 nan 0.000 0.421 319 W N 2.761 123.977 121.300 -0.140 0.000 2.379 319 W HA -0.198 4.462 4.660 -0.000 0.000 0.307 319 W C 2.330 178.696 176.519 -0.255 0.000 1.200 319 W CA 1.618 58.828 57.345 -0.224 0.000 1.297 319 W CB -0.224 29.064 29.460 -0.287 0.000 1.140 319 W HN 0.183 nan 8.180 nan 0.000 0.507 320 E N -0.167 119.646 120.200 -0.644 0.000 2.482 320 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 320 E C 1.770 178.042 176.600 -0.547 0.000 1.047 320 E CA 0.917 56.782 56.400 -0.892 0.000 0.869 320 E CB -0.334 28.991 29.700 -0.625 0.000 0.836 320 E HN 0.303 nan 8.360 nan 0.000 0.520 321 Q N 1.732 121.314 119.800 -0.364 0.000 2.123 321 Q HA -0.068 4.272 4.340 -0.000 0.000 0.196 321 Q C 1.655 177.484 176.000 -0.286 0.000 0.958 321 Q CA 1.393 57.039 55.803 -0.262 0.000 0.841 321 Q CB 0.188 28.829 28.738 -0.162 0.000 0.915 321 Q HN 0.370 nan 8.270 nan 0.000 0.455 322 E N -0.255 119.765 120.200 -0.301 0.000 2.153 322 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 322 E C 1.716 178.076 176.600 -0.399 0.000 0.988 322 E CA 0.989 57.227 56.400 -0.272 0.000 0.811 322 E CB -0.086 29.496 29.700 -0.195 0.000 0.746 322 E HN 0.250 nan 8.360 nan 0.000 0.466 323 L N 1.041 121.899 121.223 -0.610 0.000 2.131 323 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 323 L C 2.398 178.921 176.870 -0.578 0.000 1.087 323 L CA 1.998 56.418 54.840 -0.700 0.000 0.767 323 L CB -0.633 40.823 42.059 -1.006 0.000 0.917 323 L HN 0.112 nan 8.230 nan 0.000 0.441 324 T N -4.514 109.762 114.554 -0.463 0.000 2.995 324 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 324 T C 1.564 176.116 174.700 -0.246 0.000 1.091 324 T CA 0.992 62.893 62.100 -0.331 0.000 1.128 324 T CB -0.504 68.209 68.868 -0.259 0.000 0.891 324 T HN 0.271 nan 8.240 nan 0.000 0.492 325 D N 1.248 121.507 120.400 -0.234 0.000 2.144 325 D HA 0.050 4.690 4.640 -0.000 0.000 0.200 325 D C 2.109 178.328 176.300 -0.135 0.000 0.978 325 D CA 0.960 54.873 54.000 -0.146 0.000 0.833 325 D CB -0.250 40.481 40.800 -0.115 0.000 0.961 325 D HN 0.424 nan 8.370 nan 0.000 0.470 326 M N 0.013 119.437 119.600 -0.292 0.000 2.099 326 M HA -0.110 4.370 4.480 -0.000 0.000 0.262 326 M C 2.382 178.598 176.300 -0.140 0.000 1.067 326 M CA 1.111 56.160 55.300 -0.420 0.000 1.124 326 M CB -0.211 31.925 32.600 -0.774 0.000 1.353 326 M HN -0.103 nan 8.290 nan 0.000 0.410 327 R N 0.535 120.903 120.500 -0.220 0.000 2.081 327 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 327 R C 2.028 178.316 176.300 -0.020 0.000 1.131 327 R CA 1.692 57.731 56.100 -0.102 0.000 0.960 327 R CB -0.080 30.091 30.300 -0.214 0.000 0.856 327 R HN 0.459 nan 8.270 nan 0.000 0.436 328 Q N -0.492 119.280 119.800 -0.047 0.000 2.167 328 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 328 Q C 2.174 178.191 176.000 0.028 0.000 0.970 328 Q CA 1.183 56.978 55.803 -0.013 0.000 0.855 328 Q CB -0.015 28.704 28.738 -0.032 0.000 0.911 328 Q HN 0.271 nan 8.270 nan 0.000 0.438 329 R N 0.611 121.151 120.500 0.066 0.000 2.075 329 R HA -0.098 4.242 4.340 -0.000 0.000 0.232 329 R C 2.088 178.453 176.300 0.108 0.000 1.126 329 R CA 1.088 57.253 56.100 0.108 0.000 0.963 329 R CB -0.128 30.296 30.300 0.207 0.000 0.858 329 R HN 0.252 nan 8.270 nan 0.000 0.435 330 I N 0.500 121.155 120.570 0.141 0.000 2.286 330 I HA -0.285 3.885 4.170 -0.000 0.000 0.248 330 I C 2.453 178.604 176.117 0.058 0.000 1.115 330 I CA 1.214 62.575 61.300 0.102 0.000 1.392 330 I CB -0.262 37.818 38.000 0.133 0.000 1.065 330 I HN 0.242 nan 8.210 nan 0.000 0.418 331 Q N 0.886 120.719 119.800 0.055 0.000 2.084 331 Q HA -0.181 4.159 4.340 -0.000 0.000 0.202 331 Q C 2.317 178.340 176.000 0.038 0.000 0.978 331 Q CA 1.683 57.512 55.803 0.042 0.000 0.844 331 Q CB 0.005 28.762 28.738 0.032 0.000 0.898 331 Q HN 0.354 nan 8.270 nan 0.000 0.426 332 R N -1.083 119.438 120.500 0.036 0.000 2.090 332 R HA -0.025 4.315 4.340 -0.000 0.000 0.228 332 R C 2.066 178.386 176.300 0.034 0.000 1.110 332 R CA 1.292 57.410 56.100 0.031 0.000 0.973 332 R CB -0.088 30.228 30.300 0.027 0.000 0.869 332 R HN 0.307 nan 8.270 nan 0.000 0.440 333 M N 0.056 119.675 119.600 0.031 0.000 2.296 333 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 333 M C 2.092 178.420 176.300 0.047 0.000 1.064 333 M CA 1.335 56.650 55.300 0.024 0.000 1.109 333 M CB -0.641 31.955 32.600 -0.008 0.000 1.396 333 M HN 0.102 nan 8.290 nan 0.000 0.430 334 R N -0.041 120.489 120.500 0.049 0.000 2.075 334 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 334 R C 2.260 178.620 176.300 0.101 0.000 1.126 334 R CA 1.120 57.268 56.100 0.081 0.000 0.963 334 R CB 0.117 30.452 30.300 0.058 0.000 0.858 334 R HN 0.304 nan 8.270 nan 0.000 0.435 335 Q N 0.510 120.349 119.800 0.064 0.000 2.050 335 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 335 Q C 2.190 178.217 176.000 0.045 0.000 0.980 335 Q CA 1.264 57.094 55.803 0.046 0.000 0.840 335 Q CB -0.275 28.483 28.738 0.033 0.000 0.898 335 Q HN 0.290 nan 8.270 nan 0.000 0.424 336 L N 0.098 121.354 121.223 0.055 0.000 2.131 336 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 336 L C 2.167 179.086 176.870 0.081 0.000 1.092 336 L CA 1.163 56.033 54.840 0.050 0.000 0.759 336 L CB -0.427 41.659 42.059 0.045 0.000 0.903 336 L HN 0.127 nan 8.230 nan 0.000 0.435 337 F N -1.198 118.712 119.950 -0.067 0.000 2.146 337 F HA -0.151 4.376 4.527 -0.000 0.000 0.298 337 F C 2.133 177.857 175.800 -0.126 0.000 1.096 337 F CA 1.568 59.504 58.000 -0.107 0.000 1.275 337 F CB -0.482 38.443 39.000 -0.124 0.000 1.008 337 F HN -0.144 nan 8.300 nan 0.000 0.480 338 V N 0.772 120.613 119.914 -0.122 0.000 2.453 338 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 338 V C 2.161 178.172 176.094 -0.139 0.000 1.048 338 V CA 1.968 64.148 62.300 -0.201 0.000 1.049 338 V CB -0.736 31.041 31.823 -0.077 0.000 0.672 338 V HN 0.328 nan 8.190 nan 0.000 0.457 339 N N 0.028 118.685 118.700 -0.071 0.000 2.188 339 N HA -0.107 4.632 4.740 -0.000 0.000 0.184 339 N C 1.845 177.318 175.510 -0.061 0.000 1.018 339 N CA 1.830 54.852 53.050 -0.047 0.000 0.858 339 N CB -0.425 38.052 38.487 -0.018 0.000 0.989 339 N HN 0.428 nan 8.380 nan 0.000 0.426 340 T N 1.139 115.646 114.554 -0.077 0.000 3.043 340 T HA 0.179 4.529 4.350 -0.000 0.000 0.263 340 T C 2.045 176.672 174.700 -0.121 0.000 1.094 340 T CA 0.126 62.183 62.100 -0.071 0.000 1.127 340 T CB 0.120 68.967 68.868 -0.034 0.000 0.905 340 T HN 0.100 nan 8.240 nan 0.000 0.490 341 L N 0.772 121.858 121.223 -0.229 0.000 2.141 341 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 341 L C 2.936 179.735 176.870 -0.118 0.000 1.094 341 L CA 1.070 55.751 54.840 -0.264 0.000 0.763 341 L CB -0.442 41.301 42.059 -0.528 0.000 0.908 341 L HN 0.253 nan 8.230 nan 0.000 0.437 342 Q N 0.229 119.979 119.800 -0.083 0.000 2.046 342 Q HA -0.219 4.121 4.340 -0.000 0.000 0.200 342 Q C 1.921 177.904 176.000 -0.028 0.000 0.975 342 Q CA 1.794 57.577 55.803 -0.033 0.000 0.836 342 Q CB -0.025 28.699 28.738 -0.024 0.000 0.896 342 Q HN 0.676 nan 8.270 nan 0.000 0.428 343 E N -0.095 120.085 120.200 -0.033 0.000 2.481 343 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 343 E C 1.165 177.752 176.600 -0.022 0.000 1.047 343 E CA 0.499 56.886 56.400 -0.022 0.000 0.867 343 E CB 0.132 29.821 29.700 -0.018 0.000 0.858 343 E HN -0.055 nan 8.360 nan 0.000 0.513 344 K N 0.293 120.672 120.400 -0.034 0.000 2.374 344 K HA 0.170 4.490 4.320 -0.000 0.000 0.196 344 K C 0.704 177.290 176.600 -0.024 0.000 1.023 344 K CA 0.659 56.926 56.287 -0.032 0.000 1.103 344 K CB 0.863 33.332 32.500 -0.053 0.000 0.848 344 K HN 0.299 nan 8.250 nan 0.000 0.528 345 G N 0.061 108.851 108.800 -0.017 0.000 2.207 345 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 345 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 345 G C -0.104 174.801 174.900 0.008 0.000 1.053 345 G CA -0.086 45.013 45.100 -0.003 0.000 0.764 345 G HN 0.397 nan 8.290 nan 0.000 0.495 346 A N -0.150 122.680 122.820 0.017 0.000 2.362 346 A HA 0.693 5.013 4.320 -0.000 0.000 0.276 346 A C 0.321 177.945 177.584 0.066 0.000 1.153 346 A CA -0.111 51.965 52.037 0.065 0.000 0.813 346 A CB 0.365 19.444 19.000 0.131 0.000 1.081 346 A HN 0.500 nan 8.150 nan 0.000 0.507 347 N N 1.157 119.887 118.700 0.049 0.000 2.817 347 N HA 0.518 5.258 4.740 -0.000 0.000 0.234 347 N C -0.660 174.845 175.510 -0.009 0.000 1.066 347 N CA -0.237 52.824 53.050 0.019 0.000 0.926 347 N CB 0.294 38.787 38.487 0.010 0.000 1.176 347 N HN 0.653 nan 8.380 nan 0.000 0.506 348 R N 1.573 122.052 120.500 -0.035 0.000 3.737 348 R HA 0.099 4.439 4.340 -0.000 0.000 0.240 348 R C -2.327 173.883 176.300 -0.151 0.000 1.044 348 R CA -0.637 55.356 56.100 -0.179 0.000 1.164 348 R CB 0.275 30.317 30.300 -0.431 0.000 1.244 348 R HN 0.163 nan 8.270 nan 0.000 0.537 349 D N 4.178 124.505 120.400 -0.122 0.000 2.365 349 D HA 0.199 4.839 4.640 -0.000 0.000 0.237 349 D C -0.131 176.143 176.300 -0.044 0.000 1.190 349 D CA -0.033 53.952 54.000 -0.026 0.000 0.867 349 D CB 0.315 41.126 40.800 0.018 0.000 1.050 349 D HN 0.481 nan 8.370 nan 0.000 0.491 350 F N 1.502 121.415 119.950 -0.062 0.000 2.664 350 F HA 0.060 4.587 4.527 0.000 0.000 0.301 350 F C 2.233 177.795 175.800 -0.397 0.000 1.126 350 F CA -0.094 57.732 58.000 -0.291 0.000 1.373 350 F CB 0.163 38.932 39.000 -0.384 0.000 1.042 350 F HN 0.260 nan 8.300 nan 0.000 0.535 351 S N 0.165 115.862 115.700 -0.004 0.000 2.469 351 S HA -0.197 4.273 4.470 -0.000 0.000 0.238 351 S C 1.910 176.521 174.600 0.019 0.000 0.998 351 S CA 0.960 59.163 58.200 0.006 0.000 0.957 351 S CB -0.620 62.617 63.200 0.060 0.000 0.764 351 S HN 0.622 nan 8.310 nan 0.000 0.514 352 F N 2.138 122.098 119.950 0.017 0.000 2.365 352 F HA 0.041 4.568 4.527 0.000 0.000 0.300 352 F C 1.651 177.516 175.800 0.107 0.000 1.090 352 F CA 0.253 58.270 58.000 0.029 0.000 1.408 352 F CB -1.052 37.870 39.000 -0.130 0.000 1.060 352 F HN 0.267 nan 8.300 nan 0.000 0.534 353 I N -2.010 118.382 120.570 -0.297 0.000 2.928 353 I HA -0.029 4.141 4.170 -0.000 0.000 0.266 353 I C 1.943 178.092 176.117 0.052 0.000 1.234 353 I CA 0.903 62.158 61.300 -0.074 0.000 1.483 353 I CB -0.566 37.377 38.000 -0.095 0.000 1.097 353 I HN 0.099 nan 8.210 nan 0.000 0.455 354 I N 1.772 122.367 120.570 0.042 0.000 2.614 354 I HA -0.136 4.034 4.170 -0.000 0.000 0.258 354 I C 1.997 178.170 176.117 0.092 0.000 1.189 354 I CA 1.410 62.749 61.300 0.066 0.000 1.462 354 I CB -0.552 37.477 38.000 0.049 0.000 1.092 354 I HN 0.406 nan 8.210 nan 0.000 0.442 355 K N -0.054 120.421 120.400 0.125 0.000 2.400 355 K HA 0.040 4.360 4.320 -0.000 0.000 0.194 355 K C 0.523 177.220 176.600 0.163 0.000 1.033 355 K CA -0.014 56.358 56.287 0.142 0.000 1.021 355 K CB 0.189 32.789 32.500 0.166 0.000 0.808 355 K HN 0.411 nan 8.250 nan 0.000 0.505 356 Q N 1.688 121.594 119.800 0.176 0.000 2.293 356 Q HA 0.105 4.445 4.340 -0.000 0.000 0.251 356 Q C -0.696 175.383 176.000 0.132 0.000 0.930 356 Q CA -0.391 55.522 55.803 0.182 0.000 0.893 356 Q CB 1.010 29.876 28.738 0.214 0.000 1.215 356 Q HN 0.189 nan 8.270 nan 0.000 0.425 357 N N 0.019 118.792 118.700 0.122 0.000 2.312 357 N HA 0.826 5.566 4.740 -0.000 0.000 0.296 357 N C -0.238 175.286 175.510 0.023 0.000 1.193 357 N CA -0.163 52.938 53.050 0.086 0.000 0.773 357 N CB 1.947 40.501 38.487 0.112 0.000 1.435 357 N HN 0.729 nan 8.380 nan 0.000 0.484 358 G N -0.531 108.254 108.800 -0.026 0.000 2.337 358 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.197 358 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.197 358 G C -0.062 174.649 174.900 -0.316 0.000 1.238 358 G CA -0.206 44.756 45.100 -0.231 0.000 1.119 358 G HN 0.535 nan 8.290 nan 0.000 0.514 359 M N -0.125 119.045 119.600 -0.717 0.000 2.514 359 M HA 0.330 4.810 4.480 -0.000 0.000 0.258 359 M C 0.106 176.035 176.300 -0.619 0.000 1.119 359 M CA 0.937 55.803 55.300 -0.723 0.000 1.111 359 M CB 0.021 31.985 32.600 -1.061 0.000 1.390 359 M HN 0.244 nan 8.290 nan 0.000 0.475 360 F N -1.196 118.674 119.950 -0.133 0.000 2.557 360 F HA 0.514 5.041 4.527 -0.000 0.000 0.336 360 F C 0.330 176.121 175.800 -0.015 0.000 1.058 360 F CA -1.643 56.314 58.000 -0.072 0.000 0.988 360 F CB 1.306 40.276 39.000 -0.050 0.000 1.275 360 F HN -0.353 nan 8.300 nan 0.000 0.488 361 S N 0.922 116.775 115.700 0.255 0.000 2.594 361 S HA 0.537 5.007 4.470 -0.000 0.000 0.296 361 S C -1.618 173.178 174.600 0.326 0.000 1.124 361 S CA -0.354 57.975 58.200 0.216 0.000 1.011 361 S CB 0.364 63.607 63.200 0.072 0.000 1.016 361 S HN 0.442 nan 8.310 nan 0.000 0.485 362 F N 5.433 125.495 119.950 0.186 0.000 2.300 362 F HA 0.337 4.864 4.527 -0.000 0.000 0.364 362 F C 1.493 177.507 175.800 0.357 0.000 1.090 362 F CA -0.844 57.270 58.000 0.189 0.000 1.200 362 F CB 0.598 39.661 39.000 0.105 0.000 1.493 362 F HN 0.727 nan 8.300 nan 0.000 0.518 363 S N 2.351 118.195 115.700 0.240 0.000 2.442 363 S HA 0.032 4.502 4.470 -0.000 0.000 0.236 363 S C 1.764 176.616 174.600 0.421 0.000 1.007 363 S CA 0.747 59.170 58.200 0.372 0.000 0.965 363 S CB -0.698 62.678 63.200 0.293 0.000 0.773 363 S HN 1.474 nan 8.310 nan 0.000 0.504 364 G N 0.337 109.179 108.800 0.070 0.000 2.137 364 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.237 364 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.237 364 G C -0.202 174.725 174.900 0.046 0.000 1.002 364 G CA 0.141 45.255 45.100 0.024 0.000 0.702 364 G HN 0.466 nan 8.290 nan 0.000 0.515 365 L N 1.612 122.863 121.223 0.047 0.000 2.452 365 L HA 0.575 4.915 4.340 -0.000 0.000 0.267 365 L C 1.660 178.535 176.870 0.008 0.000 1.188 365 L CA 0.469 55.344 54.840 0.057 0.000 0.821 365 L CB 0.767 42.864 42.059 0.062 0.000 1.102 365 L HN 0.472 nan 8.230 nan 0.000 0.470 366 T N -1.031 113.535 114.554 0.021 0.000 2.849 366 T HA 0.265 4.615 4.350 -0.000 0.000 0.284 366 T C 1.089 175.796 174.700 0.012 0.000 1.004 366 T CA -0.329 61.778 62.100 0.012 0.000 1.021 366 T CB 0.577 69.456 68.868 0.018 0.000 1.013 366 T HN 0.681 nan 8.240 nan 0.000 0.527 367 K N 0.508 120.916 120.400 0.012 0.000 2.147 367 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 367 K C 1.679 178.288 176.600 0.014 0.000 1.049 367 K CA 1.527 57.822 56.287 0.013 0.000 0.936 367 K CB -0.251 32.258 32.500 0.014 0.000 0.722 367 K HN 0.615 nan 8.250 nan 0.000 0.446 368 E N 1.368 121.578 120.200 0.017 0.000 2.106 368 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 368 E C 2.146 178.762 176.600 0.027 0.000 0.984 368 E CA 1.269 57.681 56.400 0.020 0.000 0.806 368 E CB -0.042 29.670 29.700 0.021 0.000 0.750 368 E HN 0.396 nan 8.360 nan 0.000 0.458 369 Q N -0.016 119.802 119.800 0.030 0.000 2.084 369 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 369 Q C 2.224 178.242 176.000 0.030 0.000 0.978 369 Q CA 1.351 57.177 55.803 0.038 0.000 0.844 369 Q CB -0.013 28.748 28.738 0.039 0.000 0.898 369 Q HN 0.164 nan 8.270 nan 0.000 0.426 370 V N 0.801 120.726 119.914 0.017 0.000 2.343 370 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 370 V C 2.116 178.204 176.094 -0.011 0.000 1.051 370 V CA 1.397 63.699 62.300 0.003 0.000 1.036 370 V CB -0.462 31.363 31.823 0.003 0.000 0.654 370 V HN 0.317 nan 8.190 nan 0.000 0.451 371 L N 0.032 121.253 121.223 -0.003 0.000 2.093 371 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 371 L C 2.513 179.381 176.870 -0.004 0.000 1.085 371 L CA 1.899 56.732 54.840 -0.013 0.000 0.755 371 L CB -0.736 41.323 42.059 0.000 0.000 0.904 371 L HN 0.175 nan 8.230 nan 0.000 0.435 372 R N -1.031 119.489 120.500 0.034 0.000 2.090 372 R HA -0.084 4.256 4.340 -0.000 0.000 0.228 372 R C 2.299 178.688 176.300 0.148 0.000 1.110 372 R CA 1.239 57.385 56.100 0.077 0.000 0.973 372 R CB -0.231 30.136 30.300 0.112 0.000 0.869 372 R HN 0.382 nan 8.270 nan 0.000 0.440 373 L N 0.821 122.122 121.223 0.130 0.000 2.079 373 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 373 L C 2.629 179.528 176.870 0.048 0.000 1.081 373 L CA 1.769 56.700 54.840 0.151 0.000 0.752 373 L CB -0.349 41.722 42.059 0.019 0.000 0.896 373 L HN 0.295 nan 8.230 nan 0.000 0.433 374 R N -0.790 119.629 120.500 -0.136 0.000 2.075 374 R HA -0.054 4.286 4.340 -0.000 0.000 0.226 374 R C 1.692 177.885 176.300 -0.179 0.000 1.114 374 R CA 0.755 56.632 56.100 -0.370 0.000 0.972 374 R CB -0.457 29.398 30.300 -0.741 0.000 0.869 374 R HN 0.219 nan 8.270 nan 0.000 0.437 375 E N 0.711 120.857 120.200 -0.090 0.000 2.418 375 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 375 E C 1.179 177.732 176.600 -0.078 0.000 1.026 375 E CA 0.808 57.172 56.400 -0.059 0.000 0.862 375 E CB 0.285 29.961 29.700 -0.040 0.000 0.799 375 E HN 0.560 nan 8.360 nan 0.000 0.518 376 E N -1.494 118.643 120.200 -0.104 0.000 2.467 376 E HA 0.072 4.422 4.350 -0.000 0.000 0.213 376 E C 0.603 176.940 176.600 -0.438 0.000 0.823 376 E CA 0.005 56.212 56.400 -0.322 0.000 1.233 376 E CB 0.494 29.888 29.700 -0.510 0.000 1.233 376 E HN 0.100 nan 8.360 nan 0.000 0.585 377 F N -0.412 119.526 119.950 -0.019 0.000 2.728 377 F HA 0.342 4.869 4.527 -0.000 0.000 0.314 377 F C 1.309 177.118 175.800 0.015 0.000 1.094 377 F CA 0.469 58.468 58.000 -0.001 0.000 1.217 377 F CB 1.443 40.442 39.000 -0.002 0.000 1.056 377 F HN 0.107 nan 8.300 nan 0.000 0.577 378 G N 1.892 110.774 108.800 0.137 0.000 2.225 378 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.267 378 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.267 378 G C 0.037 175.059 174.900 0.204 0.000 1.024 378 G CA 0.382 45.570 45.100 0.146 0.000 0.784 378 G HN 0.574 nan 8.290 nan 0.000 0.507 379 V N -2.042 117.933 119.914 0.103 0.000 2.427 379 V HA 0.812 4.932 4.120 -0.000 0.000 0.286 379 V C -0.198 175.901 176.094 0.008 0.000 1.034 379 V CA -1.837 60.547 62.300 0.140 0.000 0.893 379 V CB 1.170 33.037 31.823 0.075 0.000 0.982 379 V HN 0.256 nan 8.190 nan 0.000 0.452 380 Y N 4.432 124.776 120.300 0.073 0.000 2.335 380 Y HA 0.807 5.357 4.550 -0.000 0.000 0.339 380 Y C 0.613 176.506 175.900 -0.011 0.000 0.987 380 Y CA 0.436 58.563 58.100 0.045 0.000 1.140 380 Y CB 1.580 40.075 38.460 0.059 0.000 1.173 380 Y HN 1.125 nan 8.280 nan 0.000 0.486 381 A N 2.380 125.238 122.820 0.062 0.000 2.527 381 A HA 0.809 5.129 4.320 -0.000 0.000 0.293 381 A C -1.244 176.358 177.584 0.030 0.000 1.117 381 A CA -0.803 51.253 52.037 0.032 0.000 0.723 381 A CB 0.868 19.874 19.000 0.009 0.000 1.313 381 A HN 0.427 nan 8.150 nan 0.000 0.411 382 V N 0.970 120.890 119.914 0.010 0.000 2.881 382 V HA 0.363 4.483 4.120 -0.000 0.000 0.303 382 V C 1.702 177.806 176.094 0.017 0.000 1.070 382 V CA 0.643 62.947 62.300 0.006 0.000 1.074 382 V CB 1.338 33.142 31.823 -0.031 0.000 1.012 382 V HN 1.277 nan 8.190 nan 0.000 0.482 383 A N 2.704 125.535 122.820 0.018 0.000 2.178 383 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 383 A C 2.096 179.697 177.584 0.028 0.000 1.157 383 A CA 1.429 53.477 52.037 0.019 0.000 0.689 383 A CB -0.470 18.539 19.000 0.016 0.000 0.787 383 A HN 1.016 nan 8.150 nan 0.000 0.465 384 S N -2.220 113.512 115.700 0.054 0.000 2.562 384 S HA 0.361 4.831 4.470 -0.000 0.000 0.221 384 S C 1.430 176.032 174.600 0.002 0.000 0.975 384 S CA 0.939 59.196 58.200 0.094 0.000 0.918 384 S CB -0.189 63.149 63.200 0.231 0.000 0.772 384 S HN 1.780 nan 8.310 nan 0.000 0.531 385 G N 1.340 110.135 108.800 -0.008 0.000 2.176 385 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.232 385 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.232 385 G C 0.091 174.996 174.900 0.009 0.000 0.986 385 G CA -0.119 44.947 45.100 -0.057 0.000 0.643 385 G HN 0.628 nan 8.290 nan 0.000 0.522 386 R N 0.716 121.290 120.500 0.124 0.000 2.421 386 R HA 0.437 4.777 4.340 -0.000 0.000 0.305 386 R C 0.544 176.867 176.300 0.038 0.000 1.039 386 R CA 0.545 56.738 56.100 0.154 0.000 1.003 386 R CB 0.381 30.668 30.300 -0.022 0.000 0.959 386 R HN 0.624 nan 8.270 nan 0.000 0.427 387 V N 1.908 121.864 119.914 0.071 0.000 2.628 387 V HA 0.384 4.504 4.120 -0.000 0.000 0.306 387 V C -0.422 175.743 176.094 0.118 0.000 1.045 387 V CA -1.323 60.990 62.300 0.022 0.000 0.905 387 V CB 1.846 33.615 31.823 -0.090 0.000 0.997 387 V HN 0.673 nan 8.190 nan 0.000 0.436 388 N N 2.952 121.721 118.700 0.116 0.000 2.415 388 N HA 0.264 5.004 4.740 -0.000 0.000 0.246 388 N C 0.598 176.069 175.510 -0.065 0.000 1.078 388 N CA -0.090 53.055 53.050 0.158 0.000 0.942 388 N CB 1.395 39.967 38.487 0.141 0.000 1.140 388 N HN 0.568 nan 8.380 nan 0.000 0.501 389 V N 3.316 123.163 119.914 -0.111 0.000 2.515 389 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 389 V C 2.045 178.063 176.094 -0.127 0.000 1.058 389 V CA 2.047 64.241 62.300 -0.176 0.000 1.064 389 V CB -0.853 30.887 31.823 -0.139 0.000 0.675 389 V HN 0.790 nan 8.190 nan 0.000 0.461 390 A N 0.291 123.047 122.820 -0.106 0.000 2.168 390 A HA 0.103 4.423 4.320 -0.000 0.000 0.215 390 A C 2.151 179.642 177.584 -0.155 0.000 1.152 390 A CA 1.210 53.204 52.037 -0.072 0.000 0.716 390 A CB -0.566 18.446 19.000 0.021 0.000 0.794 390 A HN 0.535 nan 8.150 nan 0.000 0.465 391 G N -1.130 107.587 108.800 -0.138 0.000 2.985 391 G HA2 0.310 4.270 3.960 -0.000 0.000 0.209 391 G HA3 0.310 4.270 3.960 -0.000 0.000 0.209 391 G C 0.521 175.338 174.900 -0.137 0.000 1.165 391 G CA -0.264 44.747 45.100 -0.148 0.000 0.776 391 G HN 0.450 nan 8.290 nan 0.000 0.541 392 M N 1.848 121.367 119.600 -0.135 0.000 2.233 392 M HA 0.406 4.886 4.480 -0.000 0.000 0.355 392 M C 0.145 176.393 176.300 -0.086 0.000 1.191 392 M CA -0.209 55.024 55.300 -0.111 0.000 1.101 392 M CB 1.848 34.368 32.600 -0.133 0.000 1.592 392 M HN 0.090 nan 8.290 nan 0.000 0.461 393 T N -0.879 113.639 114.554 -0.059 0.000 2.907 393 T HA 0.516 4.866 4.350 -0.000 0.000 0.290 393 T C -2.531 172.159 174.700 -0.018 0.000 1.066 393 T CA -1.833 60.242 62.100 -0.043 0.000 1.012 393 T CB 1.689 70.530 68.868 -0.044 0.000 1.184 393 T HN 0.281 nan 8.240 nan 0.000 0.522 394 P HA 0.050 nan 4.420 nan 0.000 0.226 394 P C 0.792 178.094 177.300 0.004 0.000 1.153 394 P CA 0.677 63.778 63.100 0.002 0.000 0.777 394 P CB 0.134 31.835 31.700 0.003 0.000 0.794 395 D N -1.145 119.255 120.400 0.001 0.000 2.213 395 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 395 D C 1.346 177.653 176.300 0.011 0.000 0.961 395 D CA 0.873 54.877 54.000 0.006 0.000 0.853 395 D CB -0.206 40.597 40.800 0.005 0.000 0.967 395 D HN 0.451 nan 8.370 nan 0.000 0.496 396 N N -0.057 118.648 118.700 0.007 0.000 2.280 396 N HA -0.016 4.724 4.740 -0.000 0.000 0.192 396 N C 1.751 177.270 175.510 0.015 0.000 1.109 396 N CA -0.136 52.923 53.050 0.015 0.000 0.855 396 N CB 0.150 38.645 38.487 0.014 0.000 0.974 396 N HN -0.083 nan 8.380 nan 0.000 0.482 397 M N 1.679 121.288 119.600 0.014 0.000 2.159 397 M HA 0.041 4.521 4.480 -0.000 0.000 0.263 397 M C 2.108 178.426 176.300 0.030 0.000 1.063 397 M CA 1.334 56.652 55.300 0.029 0.000 1.110 397 M CB -0.142 32.477 32.600 0.031 0.000 1.374 397 M HN 0.354 nan 8.290 nan 0.000 0.411 398 A N 0.489 123.321 122.820 0.019 0.000 1.874 398 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 398 A C -0.365 177.225 177.584 0.011 0.000 1.189 398 A CA 1.017 53.060 52.037 0.011 0.000 0.615 398 A CB -2.121 16.885 19.000 0.010 0.000 0.830 398 A HN 0.454 nan 8.150 nan 0.000 0.443 399 P HA -0.170 nan 4.420 nan 0.000 0.216 399 P C 1.742 179.050 177.300 0.013 0.000 1.150 399 P CA 0.794 63.912 63.100 0.031 0.000 0.837 399 P CB -0.156 31.573 31.700 0.049 0.000 0.786 400 L N 0.039 121.271 121.223 0.014 0.000 1.994 400 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 400 L C 2.249 179.110 176.870 -0.017 0.000 1.071 400 L CA 2.129 56.972 54.840 0.006 0.000 0.745 400 L CB -1.338 40.736 42.059 0.025 0.000 0.892 400 L HN 0.051 nan 8.230 nan 0.000 0.431 401 C N -0.038 119.259 119.300 -0.004 0.000 2.432 401 C HA -0.087 4.373 4.460 -0.000 0.000 0.280 401 C C 2.527 177.456 174.990 -0.101 0.000 1.353 401 C CA 0.228 59.213 59.018 -0.056 0.000 1.766 401 C CB -0.698 26.999 27.740 -0.071 0.000 1.924 401 C HN 0.532 nan 8.230 nan 0.000 0.509 402 E N 1.041 121.193 120.200 -0.080 0.000 2.106 402 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 402 E C 2.353 178.827 176.600 -0.210 0.000 0.984 402 E CA 1.302 57.647 56.400 -0.091 0.000 0.806 402 E CB -0.154 29.527 29.700 -0.031 0.000 0.750 402 E HN 0.676 nan 8.360 nan 0.000 0.458 403 A N 0.863 123.503 122.820 -0.299 0.000 1.898 403 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 403 A C 2.116 179.332 177.584 -0.613 0.000 1.181 403 A CA 0.948 52.546 52.037 -0.730 0.000 0.620 403 A CB -0.446 18.247 19.000 -0.511 0.000 0.819 403 A HN 0.145 nan 8.150 nan 0.000 0.442 404 I N 0.443 120.833 120.570 -0.301 0.000 2.315 404 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 404 I C 2.435 178.459 176.117 -0.154 0.000 1.117 404 I CA 1.447 62.629 61.300 -0.197 0.000 1.404 404 I CB -0.216 37.707 38.000 -0.128 0.000 1.071 404 I HN 0.333 nan 8.210 nan 0.000 0.419 405 V N -0.979 118.850 119.914 -0.143 0.000 2.626 405 V HA -0.060 4.060 4.120 -0.000 0.000 0.252 405 V C 2.426 178.485 176.094 -0.058 0.000 1.067 405 V CA 1.462 63.721 62.300 -0.069 0.000 1.081 405 V CB -1.205 30.585 31.823 -0.054 0.000 0.686 405 V HN 0.315 nan 8.190 nan 0.000 0.468 406 A N -0.471 122.279 122.820 -0.118 0.000 2.119 406 A HA 0.124 4.444 4.320 -0.000 0.000 0.217 406 A C 2.208 179.798 177.584 0.010 0.000 1.153 406 A CA 1.563 53.575 52.037 -0.041 0.000 0.692 406 A CB -0.273 18.713 19.000 -0.023 0.000 0.799 406 A HN 0.454 nan 8.150 nan 0.000 0.458 407 V N -0.495 119.388 119.914 -0.052 0.000 3.565 407 V HA 0.139 4.259 4.120 -0.000 0.000 0.260 407 V C 0.707 176.821 176.094 0.033 0.000 1.231 407 V CA 0.121 62.430 62.300 0.017 0.000 1.100 407 V CB -0.226 31.572 31.823 -0.042 0.000 0.807 407 V HN 0.362 nan 8.190 nan 0.000 0.454 408 L N 0.000 121.241 121.223 0.029 0.000 2.949 408 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 408 L CA 0.000 54.871 54.840 0.052 0.000 0.813 408 L CB 0.000 42.104 42.059 0.076 0.000 0.961 408 L HN 0.000 nan 8.230 nan 0.000 0.502