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 1sqp_1_B DATA FIRST_RESID 17 DATA SEQUENCE VPPHPQDLEF TRLPNGLVIA SLENYAPASR IGLFIKAGSR YENSNNLGTS DATA SEQUENCE HLLRLASSLT TKGASSFKIT RGIEAVGGKL SVTSTRENMA YTVECLRDDV DATA SEQUENCE DILMEFLLNV TTAPEFRRWE VAALQPQLRI DKAVALQNPQ AHVIENLHAA DATA SEQUENCE AYRNALANSL YCPDYRIGKV TPVELHDYVQ NHFTSARMAL IGLGVSHPVL DATA SEQUENCE KQVAEQFLNI RGGLGLSGAK AKYHGGEIRE QNGDSLVHAA LVAESAAIGS DATA SEQUENCE AEANAFSVLQ HVLGAGPHVK RGSNATSSLY QAVAKGVHQP FDVSAFNASY DATA SEQUENCE SDSGLFGFYT ISQAASAGDV IKAAYNQVKT IAQGNLSNPD VQAAKNKLKA DATA SEQUENCE GYLMSVESSE GFLDEVGSQA LAAGSYTPPS TVLQQIDAVA DADVINAAKK DATA SEQUENCE FVSGRKSMAA SGNLGHTPFI DEL 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.063 176.094 -0.052 0.000 1.182 17 V CA 0.000 62.269 62.300 -0.052 0.000 1.235 17 V CB 0.000 31.800 31.823 -0.039 0.000 1.184 18 P HA 0.869 nan 4.420 nan 0.000 0.314 18 P C -2.886 174.380 177.300 -0.057 0.000 1.306 18 P CA -1.474 61.594 63.100 -0.055 0.000 0.782 18 P CB 0.118 31.786 31.700 -0.053 0.000 1.337 19 P HA 0.199 nan 4.420 nan 0.000 0.275 19 P C -0.632 176.677 177.300 0.015 0.000 1.227 19 P CA -0.092 62.992 63.100 -0.027 0.000 0.781 19 P CB 0.147 31.819 31.700 -0.046 0.000 0.906 20 H N 3.536 122.598 119.070 -0.014 0.000 3.046 20 H HA 0.094 4.650 4.556 -0.000 0.000 0.303 20 H C -1.432 173.917 175.328 0.034 0.000 1.002 20 H CA -1.054 54.998 56.048 0.007 0.000 1.460 20 H CB 0.040 29.805 29.762 0.005 0.000 1.493 20 H HN 0.337 nan 8.280 nan 0.000 0.559 21 P HA -0.017 nan 4.420 nan 0.000 0.271 21 P C -0.384 176.996 177.300 0.134 0.000 1.216 21 P CA -0.304 62.877 63.100 0.134 0.000 0.771 21 P CB 0.973 32.717 31.700 0.073 0.000 0.864 22 Q N 1.439 121.313 119.800 0.122 0.000 2.584 22 Q HA 0.146 4.486 4.340 -0.000 0.000 0.218 22 Q C -0.128 175.896 176.000 0.041 0.000 1.079 22 Q CA 0.343 56.195 55.803 0.082 0.000 1.008 22 Q CB 0.506 29.279 28.738 0.057 0.000 1.267 22 Q HN 0.481 nan 8.270 nan 0.000 0.586 23 D N 0.783 121.200 120.400 0.028 0.000 2.198 23 D HA 0.279 4.919 4.640 -0.000 0.000 0.247 23 D C -0.464 175.837 176.300 0.001 0.000 1.010 23 D CA -0.635 53.383 54.000 0.030 0.000 0.880 23 D CB 1.359 42.181 40.800 0.037 0.000 1.209 23 D HN 0.297 nan 8.370 nan 0.000 0.451 24 L N 2.064 123.293 121.223 0.011 0.000 2.499 24 L HA 0.047 4.387 4.340 -0.000 0.000 0.273 24 L C 0.169 177.012 176.870 -0.045 0.000 1.195 24 L CA 0.147 54.965 54.840 -0.036 0.000 0.882 24 L CB 0.295 42.277 42.059 -0.128 0.000 1.133 24 L HN 0.151 nan 8.230 nan 0.000 0.483 25 E N 5.267 125.372 120.200 -0.159 0.000 2.249 25 E HA 0.246 4.596 4.350 -0.000 0.000 0.280 25 E C -1.236 175.235 176.600 -0.215 0.000 1.016 25 E CA -0.132 56.056 56.400 -0.354 0.000 0.830 25 E CB 1.789 30.922 29.700 -0.945 0.000 1.081 25 E HN 0.456 nan 8.360 nan 0.000 0.395 26 F N 0.754 120.592 119.950 -0.187 0.000 2.565 26 F HA 0.381 4.908 4.527 -0.000 0.000 0.313 26 F C -0.729 175.143 175.800 0.119 0.000 1.091 26 F CA -0.255 57.753 58.000 0.014 0.000 0.915 26 F CB 2.183 41.210 39.000 0.045 0.000 1.208 26 F HN 0.150 nan 8.300 nan 0.000 0.453 27 T N 4.968 119.485 114.554 -0.063 0.000 3.237 27 T HA 0.359 4.709 4.350 -0.000 0.000 0.319 27 T C -1.062 173.559 174.700 -0.131 0.000 1.037 27 T CA -0.829 61.300 62.100 0.047 0.000 1.048 27 T CB 1.329 70.261 68.868 0.106 0.000 1.081 27 T HN 0.451 nan 8.240 nan 0.000 0.455 28 R N 2.810 123.336 120.500 0.043 0.000 2.221 28 R HA 0.497 4.837 4.340 -0.000 0.000 0.327 28 R C -0.104 176.204 176.300 0.013 0.000 1.033 28 R CA -0.659 55.457 56.100 0.026 0.000 0.887 28 R CB 1.065 31.434 30.300 0.114 0.000 1.057 28 R HN 0.490 nan 8.270 nan 0.000 0.455 29 L N 4.638 125.850 121.223 -0.019 0.000 2.436 29 L HA 0.159 4.499 4.340 -0.000 0.000 0.265 29 L C -0.935 175.936 176.870 0.001 0.000 1.168 29 L CA -1.831 53.000 54.840 -0.014 0.000 0.815 29 L CB 0.539 42.579 42.059 -0.033 0.000 1.109 29 L HN 0.318 nan 8.230 nan 0.000 0.462 30 P HA -0.207 nan 4.420 nan 0.000 0.216 30 P C 0.808 178.110 177.300 0.004 0.000 1.154 30 P CA 1.514 64.618 63.100 0.006 0.000 0.865 30 P CB -0.238 31.463 31.700 0.001 0.000 0.789 31 N N -0.804 117.894 118.700 -0.003 0.000 2.573 31 N HA -0.043 4.697 4.740 -0.000 0.000 0.187 31 N C 1.371 176.882 175.510 0.001 0.000 1.107 31 N CA 1.563 54.611 53.050 -0.003 0.000 0.918 31 N CB -0.996 37.485 38.487 -0.010 0.000 0.966 31 N HN 0.309 nan 8.380 nan 0.000 0.448 32 G N -0.698 108.105 108.800 0.005 0.000 2.238 32 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 32 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 32 G C -0.189 174.713 174.900 0.004 0.000 0.996 32 G CA 0.076 45.183 45.100 0.012 0.000 0.632 32 G HN 0.463 nan 8.290 nan 0.000 0.503 33 L N 1.405 122.622 121.223 -0.011 0.000 2.483 33 L HA 0.590 4.930 4.340 -0.000 0.000 0.275 33 L C 0.368 177.202 176.870 -0.059 0.000 1.220 33 L CA 0.052 54.876 54.840 -0.027 0.000 0.833 33 L CB 1.184 43.224 42.059 -0.030 0.000 1.102 33 L HN 0.098 nan 8.230 nan 0.000 0.490 34 V N 5.412 125.270 119.914 -0.094 0.000 2.588 34 V HA 0.461 4.581 4.120 -0.000 0.000 0.304 34 V C -0.384 175.561 176.094 -0.249 0.000 1.042 34 V CA -0.466 61.705 62.300 -0.216 0.000 0.877 34 V CB 1.878 33.570 31.823 -0.218 0.000 0.996 34 V HN 0.538 nan 8.190 nan 0.000 0.425 35 I N 3.955 124.322 120.570 -0.339 0.000 2.406 35 I HA 0.816 4.986 4.170 -0.000 0.000 0.290 35 I C 0.053 176.023 176.117 -0.244 0.000 0.999 35 I CA -0.312 60.851 61.300 -0.229 0.000 1.124 35 I CB 1.973 39.848 38.000 -0.208 0.000 1.289 35 I HN 0.676 nan 8.210 nan 0.000 0.441 36 A N 4.422 127.167 122.820 -0.126 0.000 2.398 36 A HA 0.878 5.198 4.320 -0.000 0.000 0.301 36 A C -0.558 177.054 177.584 0.047 0.000 1.041 36 A CA -0.479 51.533 52.037 -0.042 0.000 0.711 36 A CB 1.488 20.450 19.000 -0.064 0.000 1.240 36 A HN 0.673 nan 8.150 nan 0.000 0.420 37 S N 1.751 117.488 115.700 0.062 0.000 2.599 37 S HA 0.864 5.334 4.470 -0.000 0.000 0.287 37 S C -1.031 173.570 174.600 0.003 0.000 1.105 37 S CA -0.734 57.507 58.200 0.068 0.000 0.899 37 S CB 1.800 65.104 63.200 0.173 0.000 1.100 37 S HN 1.212 nan 8.310 nan 0.000 0.482 38 L N 1.542 122.774 121.223 0.015 0.000 2.528 38 L HA 0.493 4.833 4.340 -0.000 0.000 0.267 38 L C -1.302 175.511 176.870 -0.094 0.000 0.961 38 L CA -0.316 54.508 54.840 -0.026 0.000 0.866 38 L CB 1.930 44.008 42.059 0.032 0.000 1.248 38 L HN 0.948 nan 8.230 nan 0.000 0.404 39 E N 3.362 123.454 120.200 -0.179 0.000 1.865 39 E HA 0.085 4.435 4.350 -0.000 0.000 0.269 39 E C 0.543 176.861 176.600 -0.470 0.000 1.177 39 E CA -0.142 56.031 56.400 -0.378 0.000 0.932 39 E CB 0.386 29.790 29.700 -0.493 0.000 1.066 39 E HN 0.598 nan 8.360 nan 0.000 0.405 40 N N 3.312 121.828 118.700 -0.308 0.000 2.336 40 N HA -0.097 4.643 4.740 -0.000 0.000 0.189 40 N C -0.328 175.165 175.510 -0.029 0.000 1.113 40 N CA -0.219 52.739 53.050 -0.154 0.000 0.858 40 N CB -0.438 37.971 38.487 -0.130 0.000 0.970 40 N HN 0.427 nan 8.380 nan 0.000 0.471 41 Y N -1.217 119.074 120.300 -0.015 0.000 4.324 41 Y HA -0.300 4.250 4.550 -0.000 0.000 0.224 41 Y C 0.852 176.745 175.900 -0.011 0.000 1.113 41 Y CA 0.119 58.214 58.100 -0.009 0.000 1.887 41 Y CB -2.406 36.050 38.460 -0.007 0.000 1.602 41 Y HN 0.404 nan 8.280 nan 0.000 0.654 42 A N 0.183 123.036 122.820 0.056 0.000 2.445 42 A HA 0.389 4.709 4.320 -0.000 0.000 0.242 42 A C -0.783 176.825 177.584 0.039 0.000 1.075 42 A CA -0.563 51.495 52.037 0.035 0.000 0.777 42 A CB 0.255 19.256 19.000 0.003 0.000 1.013 42 A HN 0.104 nan 8.150 nan 0.000 0.493 43 P HA 0.057 nan 4.420 nan 0.000 0.223 43 P C 0.397 177.710 177.300 0.023 0.000 1.151 43 P CA 1.611 64.729 63.100 0.030 0.000 0.787 43 P CB 0.189 31.903 31.700 0.023 0.000 0.788 44 A N -1.443 121.388 122.820 0.018 0.000 2.284 44 A HA 0.725 5.045 4.320 -0.000 0.000 0.317 44 A C -0.131 177.462 177.584 0.014 0.000 1.120 44 A CA -0.319 51.727 52.037 0.016 0.000 0.900 44 A CB 0.939 19.949 19.000 0.016 0.000 1.319 44 A HN -0.086 nan 8.150 nan 0.000 0.494 45 S N -0.910 114.801 115.700 0.018 0.000 2.549 45 S HA 0.682 5.152 4.470 -0.000 0.000 0.280 45 S C -0.782 173.836 174.600 0.030 0.000 1.109 45 S CA -0.565 57.647 58.200 0.019 0.000 0.905 45 S CB 1.603 64.813 63.200 0.015 0.000 1.081 45 S HN 0.632 nan 8.310 nan 0.000 0.477 46 R N 2.036 122.561 120.500 0.041 0.000 2.538 46 R HA 0.628 4.968 4.340 -0.000 0.000 0.292 46 R C -1.856 174.483 176.300 0.065 0.000 1.008 46 R CA -0.443 55.690 56.100 0.055 0.000 0.896 46 R CB 0.937 31.280 30.300 0.072 0.000 1.187 46 R HN 0.588 nan 8.270 nan 0.000 0.440 47 I N 2.173 122.777 120.570 0.058 0.000 2.436 47 I HA 0.445 4.615 4.170 -0.000 0.000 0.289 47 I C 0.173 176.326 176.117 0.060 0.000 1.010 47 I CA -0.574 60.764 61.300 0.063 0.000 1.098 47 I CB 2.401 40.426 38.000 0.042 0.000 1.266 47 I HN 0.668 nan 8.210 nan 0.000 0.434 48 G N 5.988 114.851 108.800 0.104 0.000 2.557 48 G HA2 0.598 4.558 3.960 -0.000 0.000 0.310 48 G HA3 0.598 4.558 3.960 -0.000 0.000 0.310 48 G C -1.521 173.427 174.900 0.080 0.000 1.328 48 G CA -0.528 44.589 45.100 0.029 0.000 0.945 48 G HN 0.424 nan 8.290 nan 0.000 0.494 49 L N 2.957 124.155 121.223 -0.042 0.000 2.261 49 L HA 0.638 4.978 4.340 -0.000 0.000 0.289 49 L C -1.110 175.697 176.870 -0.104 0.000 1.059 49 L CA -0.638 54.200 54.840 -0.002 0.000 0.816 49 L CB -0.056 41.970 42.059 -0.055 0.000 1.191 49 L HN 0.337 nan 8.230 nan 0.000 0.431 50 F N 5.896 125.836 119.950 -0.017 0.000 2.420 50 F HA 0.575 5.102 4.527 -0.000 0.000 0.342 50 F C 0.100 175.861 175.800 -0.064 0.000 1.113 50 F CA -0.338 57.651 58.000 -0.019 0.000 1.059 50 F CB 1.123 40.119 39.000 -0.006 0.000 1.128 50 F HN 0.234 nan 8.300 nan 0.000 0.475 51 I N 2.992 123.590 120.570 0.048 0.000 2.582 51 I HA 0.281 4.451 4.170 -0.000 0.000 0.292 51 I C -0.440 175.680 176.117 0.004 0.000 1.066 51 I CA -1.057 60.200 61.300 -0.071 0.000 1.053 51 I CB 1.988 39.746 38.000 -0.403 0.000 1.241 51 I HN 0.383 nan 8.210 nan 0.000 0.421 52 K N 5.180 125.581 120.400 0.001 0.000 2.054 52 K HA 0.348 4.668 4.320 -0.000 0.000 0.242 52 K C 0.390 176.903 176.600 -0.147 0.000 1.157 52 K CA 0.046 56.338 56.287 0.008 0.000 1.079 52 K CB 0.244 32.720 32.500 -0.041 0.000 1.331 52 K HN 0.799 nan 8.250 nan 0.000 0.317 53 A N 1.806 124.661 122.820 0.058 0.000 2.665 53 A HA 0.201 4.521 4.320 -0.000 0.000 0.268 53 A C 0.787 178.591 177.584 0.366 0.000 1.044 53 A CA -0.246 51.863 52.037 0.120 0.000 0.993 53 A CB 0.439 19.619 19.000 0.300 0.000 1.229 53 A HN 0.603 nan 8.150 nan 0.000 0.576 54 G N 0.245 109.241 108.800 0.325 0.000 2.661 54 G HA2 0.278 4.238 3.960 -0.000 0.000 0.272 54 G HA3 0.278 4.238 3.960 -0.000 0.000 0.272 54 G C 1.379 176.373 174.900 0.156 0.000 1.296 54 G CA 0.565 45.775 45.100 0.184 0.000 0.998 54 G HN 0.990 nan 8.290 nan 0.000 0.553 55 S N -0.522 115.176 115.700 -0.004 0.000 2.402 55 S HA -0.252 4.218 4.470 -0.000 0.000 0.233 55 S C 2.151 176.697 174.600 -0.089 0.000 1.030 55 S CA 1.714 59.884 58.200 -0.050 0.000 1.003 55 S CB -0.405 62.719 63.200 -0.127 0.000 0.813 55 S HN 0.841 nan 8.310 nan 0.000 0.477 56 R N 0.120 120.477 120.500 -0.239 0.000 2.159 56 R HA -0.103 4.237 4.340 -0.000 0.000 0.237 56 R C 1.229 177.273 176.300 -0.428 0.000 1.131 56 R CA 1.583 57.438 56.100 -0.409 0.000 0.982 56 R CB -0.848 29.092 30.300 -0.600 0.000 0.868 56 R HN 0.561 nan 8.270 nan 0.000 0.453 57 Y N 1.444 121.704 120.300 -0.067 0.000 2.529 57 Y HA 0.225 4.775 4.550 -0.000 0.000 0.290 57 Y C 0.233 176.156 175.900 0.039 0.000 1.177 57 Y CA -0.245 57.788 58.100 -0.112 0.000 1.305 57 Y CB -0.030 38.142 38.460 -0.480 0.000 1.047 57 Y HN 0.129 nan 8.280 nan 0.000 0.522 58 E N 1.324 121.645 120.200 0.201 0.000 2.373 58 E HA 0.135 4.485 4.350 -0.000 0.000 0.263 58 E C -0.179 176.497 176.600 0.127 0.000 1.073 58 E CA -0.365 56.167 56.400 0.221 0.000 0.894 58 E CB 0.557 30.334 29.700 0.128 0.000 1.008 58 E HN 0.397 nan 8.360 nan 0.000 0.420 59 N N -1.574 117.205 118.700 0.131 0.000 2.619 59 N HA 0.077 4.817 4.740 -0.000 0.000 0.294 59 N C 0.308 175.868 175.510 0.084 0.000 1.279 59 N CA -0.464 52.642 53.050 0.093 0.000 0.867 59 N CB 1.116 39.661 38.487 0.095 0.000 1.329 59 N HN 0.265 nan 8.380 nan 0.000 0.557 60 S N -0.847 114.897 115.700 0.074 0.000 2.537 60 S HA -0.070 4.400 4.470 -0.000 0.000 0.240 60 S C 0.443 175.105 174.600 0.102 0.000 0.981 60 S CA 0.606 58.857 58.200 0.084 0.000 0.948 60 S CB -0.695 62.541 63.200 0.061 0.000 0.759 60 S HN 0.590 nan 8.310 nan 0.000 0.531 61 N N 2.418 121.171 118.700 0.088 0.000 2.322 61 N HA 0.083 4.823 4.740 -0.000 0.000 0.181 61 N C 0.271 175.827 175.510 0.075 0.000 1.088 61 N CA 0.578 53.678 53.050 0.085 0.000 0.885 61 N CB 0.059 38.585 38.487 0.065 0.000 1.013 61 N HN 0.796 nan 8.380 nan 0.000 0.472 62 N N 0.421 119.164 118.700 0.072 0.000 2.517 62 N HA 0.033 4.773 4.740 -0.000 0.000 0.285 62 N C -0.766 174.750 175.510 0.009 0.000 1.528 62 N CA -0.263 52.812 53.050 0.041 0.000 0.892 62 N CB -0.075 38.457 38.487 0.075 0.000 1.356 62 N HN -0.189 nan 8.380 nan 0.000 0.495 63 L N 0.990 122.215 121.223 0.003 0.000 2.485 63 L HA 0.318 4.658 4.340 -0.000 0.000 0.275 63 L C 1.740 178.554 176.870 -0.095 0.000 1.207 63 L CA 1.786 56.610 54.840 -0.026 0.000 0.855 63 L CB -0.436 41.624 42.059 0.002 0.000 1.114 63 L HN 0.680 nan 8.230 nan 0.000 0.485 64 G N 2.342 111.096 108.800 -0.077 0.000 2.179 64 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.260 64 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.260 64 G C 1.000 175.819 174.900 -0.135 0.000 0.977 64 G CA 0.682 45.737 45.100 -0.074 0.000 0.641 64 G HN 0.593 nan 8.290 nan 0.000 0.533 65 T N 1.107 115.541 114.554 -0.201 0.000 2.788 65 T HA -0.060 4.290 4.350 -0.000 0.000 0.268 65 T C 2.681 177.103 174.700 -0.463 0.000 1.044 65 T CA 2.470 64.380 62.100 -0.317 0.000 1.139 65 T CB -0.301 68.384 68.868 -0.305 0.000 0.867 65 T HN 1.198 nan 8.240 nan 0.000 0.454 66 S N 0.252 115.628 115.700 -0.540 0.000 2.522 66 S HA -0.029 4.441 4.470 -0.000 0.000 0.227 66 S C 1.665 176.176 174.600 -0.148 0.000 0.986 66 S CA 0.477 58.397 58.200 -0.467 0.000 0.929 66 S CB -0.558 62.402 63.200 -0.400 0.000 0.769 66 S HN 0.739 nan 8.310 nan 0.000 0.529 67 H N 0.294 119.227 119.070 -0.228 0.000 2.276 67 H HA 0.102 4.658 4.556 -0.000 0.000 0.307 67 H C 2.121 177.370 175.328 -0.132 0.000 1.061 67 H CA 1.038 56.984 56.048 -0.170 0.000 1.336 67 H CB -0.198 29.480 29.762 -0.141 0.000 1.396 67 H HN 0.350 nan 8.280 nan 0.000 0.503 68 L N 1.396 122.523 121.223 -0.159 0.000 2.081 68 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 68 L C 2.390 179.201 176.870 -0.098 0.000 1.080 68 L CA 1.200 55.924 54.840 -0.193 0.000 0.754 68 L CB -0.870 41.062 42.059 -0.211 0.000 0.893 68 L HN 0.428 nan 8.230 nan 0.000 0.433 69 L N -0.537 120.622 121.223 -0.107 0.000 2.042 69 L HA -0.270 4.070 4.340 -0.000 0.000 0.210 69 L C 2.784 179.714 176.870 0.100 0.000 1.076 69 L CA 1.997 56.836 54.840 -0.002 0.000 0.749 69 L CB -0.356 41.671 42.059 -0.054 0.000 0.893 69 L HN 0.414 nan 8.230 nan 0.000 0.432 70 R N -0.009 120.515 120.500 0.040 0.000 2.115 70 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 70 R C 2.070 178.375 176.300 0.008 0.000 1.111 70 R CA 1.175 57.271 56.100 -0.006 0.000 0.976 70 R CB -0.163 30.119 30.300 -0.030 0.000 0.870 70 R HN 0.392 nan 8.270 nan 0.000 0.445 71 L N 0.159 121.398 121.223 0.027 0.000 2.492 71 L HA 0.120 4.460 4.340 -0.000 0.000 0.223 71 L C 1.903 178.788 176.870 0.026 0.000 1.132 71 L CA 0.586 55.433 54.840 0.011 0.000 0.850 71 L CB -0.093 41.941 42.059 -0.042 0.000 0.966 71 L HN 0.301 nan 8.230 nan 0.000 0.454 72 A N -0.462 122.401 122.820 0.071 0.000 2.307 72 A HA -0.004 4.316 4.320 -0.000 0.000 0.218 72 A C 2.242 179.895 177.584 0.115 0.000 1.228 72 A CA 0.681 52.784 52.037 0.111 0.000 0.857 72 A CB -0.222 18.907 19.000 0.214 0.000 0.897 72 A HN 0.403 nan 8.150 nan 0.000 0.495 73 S N 0.529 116.300 115.700 0.119 0.000 2.440 73 S HA -0.147 4.323 4.470 -0.000 0.000 0.238 73 S C 1.543 176.179 174.600 0.060 0.000 1.010 73 S CA 1.748 60.039 58.200 0.152 0.000 0.972 73 S CB -0.534 62.766 63.200 0.166 0.000 0.774 73 S HN 1.015 nan 8.310 nan 0.000 0.501 74 S N 0.241 115.948 115.700 0.012 0.000 2.664 74 S HA 0.459 4.929 4.470 -0.000 0.000 0.245 74 S C 0.299 174.883 174.600 -0.027 0.000 1.019 74 S CA -0.882 57.297 58.200 -0.034 0.000 0.996 74 S CB -0.436 62.723 63.200 -0.068 0.000 0.878 74 S HN 0.455 nan 8.310 nan 0.000 0.493 75 L N 1.481 122.690 121.223 -0.022 0.000 2.475 75 L HA 0.310 4.650 4.340 -0.000 0.000 0.250 75 L C 0.704 177.533 176.870 -0.069 0.000 1.224 75 L CA -0.504 54.315 54.840 -0.036 0.000 0.821 75 L CB -0.004 42.029 42.059 -0.044 0.000 1.141 75 L HN 0.118 nan 8.230 nan 0.000 0.494 76 T N 0.416 114.931 114.554 -0.065 0.000 2.870 76 T HA 0.250 4.600 4.350 -0.000 0.000 0.300 76 T C 0.251 174.890 174.700 -0.101 0.000 0.989 76 T CA -0.348 61.727 62.100 -0.042 0.000 1.139 76 T CB 0.532 69.405 68.868 0.009 0.000 0.920 76 T HN 0.753 nan 8.240 nan 0.000 0.537 77 T N 0.483 115.004 114.554 -0.056 0.000 2.950 77 T HA 0.504 4.854 4.350 -0.000 0.000 0.288 77 T C -0.430 174.255 174.700 -0.025 0.000 1.035 77 T CA -1.335 60.723 62.100 -0.070 0.000 1.028 77 T CB 0.957 69.794 68.868 -0.052 0.000 1.109 77 T HN 0.431 nan 8.240 nan 0.000 0.514 78 K N 1.081 121.463 120.400 -0.030 0.000 2.378 78 K HA 0.439 4.759 4.320 -0.000 0.000 0.288 78 K C 1.209 177.808 176.600 -0.002 0.000 1.057 78 K CA 0.242 56.526 56.287 -0.006 0.000 0.971 78 K CB 0.288 32.785 32.500 -0.005 0.000 0.975 78 K HN 1.084 nan 8.250 nan 0.000 0.475 79 G N 1.513 110.319 108.800 0.010 0.000 2.232 79 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.226 79 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.226 79 G C -0.078 174.835 174.900 0.022 0.000 0.996 79 G CA -0.183 44.918 45.100 0.002 0.000 0.626 79 G HN 0.913 nan 8.290 nan 0.000 0.509 80 A N -0.100 122.757 122.820 0.061 0.000 2.485 80 A HA 0.837 5.157 4.320 -0.000 0.000 0.285 80 A C 0.085 177.738 177.584 0.116 0.000 1.045 80 A CA 0.920 53.040 52.037 0.137 0.000 0.792 80 A CB 0.710 19.875 19.000 0.274 0.000 1.307 80 A HN 1.979 nan 8.150 nan 0.000 0.406 81 S N 1.759 117.536 115.700 0.129 0.000 2.600 81 S HA 0.368 4.838 4.470 -0.000 0.000 0.265 81 S C 1.490 176.154 174.600 0.106 0.000 1.325 81 S CA 0.583 58.855 58.200 0.120 0.000 1.002 81 S CB 1.285 64.578 63.200 0.156 0.000 0.921 81 S HN 1.639 nan 8.310 nan 0.000 0.554 82 S N 1.211 116.969 115.700 0.096 0.000 2.369 82 S HA -0.217 4.253 4.470 -0.000 0.000 0.225 82 S C 1.506 176.154 174.600 0.082 0.000 1.043 82 S CA 1.986 60.228 58.200 0.070 0.000 1.074 82 S CB -1.069 62.187 63.200 0.093 0.000 0.962 82 S HN 0.779 nan 8.310 nan 0.000 0.433 83 F N 2.065 122.013 119.950 -0.002 0.000 2.161 83 F HA -0.072 4.455 4.527 -0.000 0.000 0.300 83 F C 2.334 178.124 175.800 -0.017 0.000 1.089 83 F CA 2.180 60.176 58.000 -0.007 0.000 1.282 83 F CB -0.374 38.634 39.000 0.013 0.000 1.010 83 F HN 0.180 nan 8.300 nan 0.000 0.485 84 K N 0.530 120.962 120.400 0.054 0.000 2.025 84 K HA -0.163 4.157 4.320 -0.000 0.000 0.207 84 K C 2.156 178.636 176.600 -0.200 0.000 1.049 84 K CA 1.921 58.208 56.287 0.001 0.000 0.933 84 K CB -0.365 32.264 32.500 0.214 0.000 0.714 84 K HN 0.360 nan 8.250 nan 0.000 0.438 85 I N 0.717 121.107 120.570 -0.300 0.000 2.163 85 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 85 I C 2.194 177.918 176.117 -0.655 0.000 1.085 85 I CA 1.580 62.424 61.300 -0.761 0.000 1.347 85 I CB -0.480 37.277 38.000 -0.405 0.000 1.044 85 I HN 0.245 nan 8.210 nan 0.000 0.408 86 T N 0.480 114.803 114.554 -0.385 0.000 2.639 86 T HA -0.117 4.233 4.350 -0.000 0.000 0.261 86 T C 2.034 176.532 174.700 -0.336 0.000 1.053 86 T CA 0.978 62.891 62.100 -0.312 0.000 1.158 86 T CB -0.226 68.508 68.868 -0.222 0.000 0.863 86 T HN 0.176 nan 8.240 nan 0.000 0.413 87 R N 1.017 121.256 120.500 -0.435 0.000 2.120 87 R HA 0.038 4.378 4.340 -0.000 0.000 0.234 87 R C 2.741 178.910 176.300 -0.220 0.000 1.123 87 R CA 1.293 57.158 56.100 -0.391 0.000 0.975 87 R CB -1.381 28.520 30.300 -0.665 0.000 0.866 87 R HN 0.536 nan 8.270 nan 0.000 0.446 88 G N 1.056 109.745 108.800 -0.186 0.000 2.414 88 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 88 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 88 G C 1.627 176.545 174.900 0.030 0.000 1.188 88 G CA 0.370 45.500 45.100 0.050 0.000 0.783 88 G HN 0.212 nan 8.290 nan 0.000 0.537 89 I N 0.597 121.046 120.570 -0.200 0.000 2.226 89 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 89 I C 2.766 178.838 176.117 -0.075 0.000 1.100 89 I CA 1.144 62.372 61.300 -0.120 0.000 1.374 89 I CB -0.189 37.664 38.000 -0.244 0.000 1.057 89 I HN 0.235 nan 8.210 nan 0.000 0.413 90 E N 0.859 120.990 120.200 -0.114 0.000 2.110 90 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 90 E C 2.361 178.931 176.600 -0.051 0.000 0.988 90 E CA 1.161 57.512 56.400 -0.082 0.000 0.804 90 E CB -0.183 29.457 29.700 -0.101 0.000 0.745 90 E HN 0.522 nan 8.360 nan 0.000 0.458 91 A N 1.285 124.077 122.820 -0.046 0.000 1.940 91 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 91 A C 2.415 179.999 177.584 -0.000 0.000 1.176 91 A CA 1.814 53.840 52.037 -0.018 0.000 0.631 91 A CB -0.525 18.471 19.000 -0.007 0.000 0.814 91 A HN 0.233 nan 8.150 nan 0.000 0.446 92 V N -4.197 115.723 119.914 0.011 0.000 3.647 92 V HA 0.529 4.649 4.120 -0.000 0.000 0.279 92 V C 1.412 177.511 176.094 0.009 0.000 1.314 92 V CA 0.547 62.858 62.300 0.018 0.000 1.125 92 V CB -0.852 30.993 31.823 0.037 0.000 0.907 92 V HN 1.487 nan 8.190 nan 0.000 0.434 93 G N -0.007 108.791 108.800 -0.003 0.000 2.147 93 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.244 93 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.244 93 G C 0.500 175.397 174.900 -0.005 0.000 1.005 93 G CA 0.236 45.331 45.100 -0.008 0.000 0.713 93 G HN 1.257 nan 8.290 nan 0.000 0.515 94 G N -0.907 107.891 108.800 -0.003 0.000 2.543 94 G HA2 0.684 4.644 3.960 -0.000 0.000 0.290 94 G HA3 0.684 4.644 3.960 -0.000 0.000 0.290 94 G C -0.090 174.800 174.900 -0.016 0.000 1.310 94 G CA -0.471 44.629 45.100 0.001 0.000 1.025 94 G HN 0.495 nan 8.290 nan 0.000 0.502 95 K N -1.303 119.091 120.400 -0.011 0.000 2.395 95 K HA 0.609 4.929 4.320 -0.000 0.000 0.247 95 K C -1.558 175.030 176.600 -0.021 0.000 0.973 95 K CA -0.745 55.528 56.287 -0.024 0.000 0.828 95 K CB 2.528 35.018 32.500 -0.017 0.000 1.272 95 K HN 0.274 nan 8.250 nan 0.000 0.439 96 L N 0.657 121.860 121.223 -0.035 0.000 2.372 96 L HA 0.483 4.823 4.340 -0.000 0.000 0.273 96 L C -1.438 175.413 176.870 -0.031 0.000 0.989 96 L CA 0.119 54.947 54.840 -0.021 0.000 0.841 96 L CB 1.777 43.817 42.059 -0.031 0.000 1.225 96 L HN 0.557 nan 8.230 nan 0.000 0.414 97 S N 3.180 118.856 115.700 -0.040 0.000 2.532 97 S HA 0.812 5.282 4.470 -0.000 0.000 0.301 97 S C -1.131 173.377 174.600 -0.152 0.000 1.083 97 S CA -0.531 57.623 58.200 -0.077 0.000 1.025 97 S CB 2.141 65.302 63.200 -0.066 0.000 1.056 97 S HN 0.710 nan 8.310 nan 0.000 0.494 98 V N 2.481 122.266 119.914 -0.215 0.000 2.482 98 V HA 0.790 4.910 4.120 -0.000 0.000 0.295 98 V C -0.433 175.492 176.094 -0.281 0.000 1.026 98 V CA -0.268 61.797 62.300 -0.392 0.000 0.856 98 V CB 1.221 32.590 31.823 -0.758 0.000 1.001 98 V HN 0.911 nan 8.190 nan 0.000 0.424 99 T N 3.838 118.230 114.554 -0.270 0.000 2.821 99 T HA 0.572 4.922 4.350 -0.000 0.000 0.307 99 T C 0.028 174.635 174.700 -0.156 0.000 1.034 99 T CA -0.203 61.792 62.100 -0.175 0.000 0.953 99 T CB 0.724 69.531 68.868 -0.101 0.000 0.968 99 T HN 0.827 nan 8.240 nan 0.000 0.462 100 S N 3.584 119.197 115.700 -0.146 0.000 2.586 100 S HA 0.702 5.172 4.470 -0.000 0.000 0.274 100 S C 0.649 175.200 174.600 -0.083 0.000 1.281 100 S CA -0.678 57.456 58.200 -0.110 0.000 1.035 100 S CB 1.227 64.341 63.200 -0.143 0.000 0.962 100 S HN 1.067 nan 8.310 nan 0.000 0.512 101 T N -0.438 114.094 114.554 -0.035 0.000 2.831 101 T HA 0.484 4.834 4.350 -0.000 0.000 0.287 101 T C 0.699 175.376 174.700 -0.039 0.000 1.070 101 T CA -0.992 61.100 62.100 -0.015 0.000 1.010 101 T CB 1.044 69.950 68.868 0.063 0.000 1.264 101 T HN 0.377 nan 8.240 nan 0.000 0.532 102 R N 0.049 120.511 120.500 -0.064 0.000 2.241 102 R HA -0.005 4.335 4.340 -0.000 0.000 0.224 102 R C 1.844 178.052 176.300 -0.153 0.000 1.101 102 R CA 1.540 57.531 56.100 -0.183 0.000 0.995 102 R CB 0.004 30.073 30.300 -0.386 0.000 0.870 102 R HN 0.687 nan 8.270 nan 0.000 0.463 103 E N -0.982 119.208 120.200 -0.017 0.000 2.306 103 E HA 0.064 4.414 4.350 -0.000 0.000 0.201 103 E C -0.064 176.646 176.600 0.183 0.000 0.874 103 E CA 0.277 56.716 56.400 0.066 0.000 0.972 103 E CB 0.421 30.188 29.700 0.112 0.000 0.957 103 E HN 0.365 nan 8.360 nan 0.000 0.492 104 N N 0.544 119.329 118.700 0.141 0.000 2.335 104 N HA 0.437 5.177 4.740 -0.000 0.000 0.304 104 N C -0.748 174.814 175.510 0.087 0.000 1.135 104 N CA -0.417 52.720 53.050 0.145 0.000 0.817 104 N CB 2.015 40.617 38.487 0.192 0.000 1.294 104 N HN -0.163 nan 8.380 nan 0.000 0.497 105 M N 1.284 120.919 119.600 0.059 0.000 2.508 105 M HA 0.622 5.102 4.480 -0.000 0.000 0.327 105 M C -1.004 175.237 176.300 -0.098 0.000 1.160 105 M CA -0.774 54.509 55.300 -0.028 0.000 0.980 105 M CB 1.975 34.602 32.600 0.044 0.000 1.693 105 M HN 0.638 nan 8.290 nan 0.000 0.452 106 A N 2.882 125.546 122.820 -0.260 0.000 2.411 106 A HA 0.638 4.958 4.320 -0.000 0.000 0.285 106 A C -1.906 175.417 177.584 -0.434 0.000 1.129 106 A CA -0.499 51.237 52.037 -0.502 0.000 0.736 106 A CB 0.544 19.120 19.000 -0.706 0.000 1.186 106 A HN 0.738 nan 8.150 nan 0.000 0.445 107 Y N 1.663 121.730 120.300 -0.388 0.000 2.367 107 Y HA 0.493 5.043 4.550 -0.000 0.000 0.342 107 Y C 0.850 176.604 175.900 -0.243 0.000 0.979 107 Y CA 0.317 58.279 58.100 -0.230 0.000 1.161 107 Y CB 1.706 40.080 38.460 -0.143 0.000 1.155 107 Y HN 0.572 nan 8.280 nan 0.000 0.503 108 T N 3.387 117.896 114.554 -0.076 0.000 2.885 108 T HA 0.638 4.988 4.350 -0.000 0.000 0.285 108 T C -1.127 173.570 174.700 -0.004 0.000 1.019 108 T CA -0.703 61.361 62.100 -0.061 0.000 1.010 108 T CB 1.729 70.543 68.868 -0.091 0.000 1.022 108 T HN 0.305 nan 8.240 nan 0.000 0.466 109 V N 2.388 122.310 119.914 0.014 0.000 2.668 109 V HA 0.479 4.599 4.120 -0.000 0.000 0.304 109 V C -0.792 175.319 176.094 0.029 0.000 1.071 109 V CA -0.592 61.725 62.300 0.028 0.000 0.894 109 V CB 1.933 33.784 31.823 0.047 0.000 1.008 109 V HN 0.900 nan 8.190 nan 0.000 0.425 110 E N 4.005 124.219 120.200 0.024 0.000 2.256 110 E HA 0.846 5.196 4.350 -0.000 0.000 0.267 110 E C -1.169 175.445 176.600 0.024 0.000 0.892 110 E CA -0.381 56.033 56.400 0.024 0.000 0.775 110 E CB 2.132 31.843 29.700 0.018 0.000 1.207 110 E HN 0.976 nan 8.360 nan 0.000 0.420 111 C N 0.544 119.858 119.300 0.024 0.000 3.165 111 C HA 0.413 4.873 4.460 -0.000 0.000 0.345 111 C C -0.979 174.023 174.990 0.020 0.000 1.367 111 C CA -1.202 57.830 59.018 0.023 0.000 1.205 111 C CB -0.485 27.274 27.740 0.031 0.000 1.447 111 C HN 0.717 nan 8.230 nan 0.000 0.451 112 L N 1.771 123.005 121.223 0.018 0.000 2.461 112 L HA 0.308 4.648 4.340 -0.000 0.000 0.272 112 L C 2.135 179.015 176.870 0.017 0.000 1.197 112 L CA -0.072 54.779 54.840 0.017 0.000 0.836 112 L CB 0.213 42.282 42.059 0.016 0.000 1.105 112 L HN 0.952 nan 8.230 nan 0.000 0.477 113 R N 1.113 121.623 120.500 0.018 0.000 2.159 113 R HA -0.242 4.098 4.340 -0.000 0.000 0.249 113 R C 1.260 177.568 176.300 0.015 0.000 1.136 113 R CA 2.484 58.594 56.100 0.017 0.000 0.951 113 R CB -0.071 30.242 30.300 0.023 0.000 0.876 113 R HN 0.720 nan 8.270 nan 0.000 0.440 114 D N -0.102 120.307 120.400 0.015 0.000 2.351 114 D HA -0.108 4.532 4.640 -0.000 0.000 0.216 114 D C 0.398 176.703 176.300 0.008 0.000 0.968 114 D CA 1.026 55.033 54.000 0.012 0.000 0.899 114 D CB -0.030 40.778 40.800 0.013 0.000 0.907 114 D HN 0.374 nan 8.370 nan 0.000 0.514 115 D N -0.626 119.780 120.400 0.010 0.000 2.469 115 D HA -0.003 4.637 4.640 -0.000 0.000 0.215 115 D C 2.185 178.491 176.300 0.009 0.000 1.154 115 D CA 0.087 54.094 54.000 0.011 0.000 0.832 115 D CB 0.989 41.802 40.800 0.021 0.000 1.008 115 D HN 0.108 nan 8.370 nan 0.000 0.506 116 V N -0.509 119.409 119.914 0.006 0.000 2.370 116 V HA -0.288 3.832 4.120 -0.000 0.000 0.252 116 V C 1.707 177.791 176.094 -0.016 0.000 1.068 116 V CA 1.777 64.078 62.300 0.003 0.000 1.061 116 V CB -0.485 31.339 31.823 0.002 0.000 0.656 116 V HN -0.074 nan 8.190 nan 0.000 0.455 117 D N 1.146 121.528 120.400 -0.031 0.000 2.084 117 D HA -0.091 4.549 4.640 -0.000 0.000 0.194 117 D C 2.125 178.355 176.300 -0.116 0.000 0.990 117 D CA 2.224 56.185 54.000 -0.064 0.000 0.826 117 D CB -0.337 40.430 40.800 -0.056 0.000 0.971 117 D HN 0.598 nan 8.370 nan 0.000 0.453 118 I N 0.192 120.692 120.570 -0.116 0.000 2.286 118 I HA -0.215 3.954 4.170 -0.000 0.000 0.248 118 I C 2.312 178.300 176.117 -0.216 0.000 1.115 118 I CA 0.709 61.869 61.300 -0.234 0.000 1.392 118 I CB -0.310 37.594 38.000 -0.160 0.000 1.065 118 I HN -0.088 nan 8.210 nan 0.000 0.418 119 L N -0.395 120.844 121.223 0.027 0.000 2.109 119 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 119 L C 2.554 179.470 176.870 0.076 0.000 1.086 119 L CA 1.272 56.212 54.840 0.166 0.000 0.760 119 L CB -0.446 41.691 42.059 0.131 0.000 0.910 119 L HN 0.265 nan 8.230 nan 0.000 0.437 120 M N 0.111 119.700 119.600 -0.018 0.000 2.080 120 M HA -0.256 4.224 4.480 -0.000 0.000 0.260 120 M C 2.243 178.467 176.300 -0.126 0.000 1.068 120 M CA 2.028 57.293 55.300 -0.057 0.000 1.109 120 M CB -0.406 32.151 32.600 -0.071 0.000 1.342 120 M HN 0.311 nan 8.290 nan 0.000 0.405 121 E N -0.839 119.228 120.200 -0.221 0.000 2.085 121 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 121 E C 1.765 178.227 176.600 -0.231 0.000 0.994 121 E CA 1.806 58.005 56.400 -0.334 0.000 0.801 121 E CB -0.351 29.089 29.700 -0.433 0.000 0.743 121 E HN 0.525 nan 8.360 nan 0.000 0.453 122 F N 1.082 120.964 119.950 -0.114 0.000 2.102 122 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 122 F C 2.336 178.082 175.800 -0.090 0.000 1.105 122 F CA 1.006 58.953 58.000 -0.089 0.000 1.239 122 F CB -0.755 38.208 39.000 -0.061 0.000 0.991 122 F HN 0.118 nan 8.300 nan 0.000 0.474 123 L N -0.364 120.930 121.223 0.118 0.000 1.990 123 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 123 L C 2.359 179.201 176.870 -0.048 0.000 1.072 123 L CA 1.692 56.549 54.840 0.029 0.000 0.755 123 L CB -0.584 41.481 42.059 0.009 0.000 0.889 123 L HN 0.186 nan 8.230 nan 0.000 0.432 124 L N -0.625 120.542 121.223 -0.093 0.000 2.083 124 L HA -0.247 4.093 4.340 -0.000 0.000 0.209 124 L C 2.089 178.897 176.870 -0.104 0.000 1.083 124 L CA 1.661 56.423 54.840 -0.130 0.000 0.752 124 L CB -0.570 41.330 42.059 -0.265 0.000 0.899 124 L HN 0.386 nan 8.230 nan 0.000 0.433 125 N N -0.719 117.927 118.700 -0.090 0.000 2.058 125 N HA -0.165 4.575 4.740 -0.000 0.000 0.191 125 N C 1.816 177.287 175.510 -0.064 0.000 1.037 125 N CA 1.244 54.258 53.050 -0.059 0.000 0.848 125 N CB -0.146 38.335 38.487 -0.009 0.000 1.021 125 N HN -0.010 nan 8.380 nan 0.000 0.422 126 V N 0.730 120.616 119.914 -0.046 0.000 2.392 126 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 126 V C 2.361 178.382 176.094 -0.123 0.000 1.059 126 V CA 2.256 64.516 62.300 -0.066 0.000 1.051 126 V CB -1.076 30.749 31.823 0.003 0.000 0.658 126 V HN 0.629 nan 8.190 nan 0.000 0.455 127 T N -3.114 111.348 114.554 -0.153 0.000 3.044 127 T HA -0.045 4.305 4.350 -0.000 0.000 0.255 127 T C 1.598 176.334 174.700 0.059 0.000 1.073 127 T CA 1.218 63.249 62.100 -0.114 0.000 1.125 127 T CB 0.033 68.747 68.868 -0.256 0.000 0.908 127 T HN 0.603 nan 8.240 nan 0.000 0.480 128 T N -1.525 113.027 114.554 -0.003 0.000 2.964 128 T HA 0.576 4.926 4.350 -0.000 0.000 0.249 128 T C 1.382 176.083 174.700 0.001 0.000 1.000 128 T CA 0.241 62.360 62.100 0.030 0.000 0.992 128 T CB 0.004 68.905 68.868 0.055 0.000 1.087 128 T HN 0.390 nan 8.240 nan 0.000 0.489 129 A N 2.754 125.549 122.820 -0.042 0.000 2.793 129 A HA 0.578 4.898 4.320 -0.000 0.000 0.301 129 A C -2.714 174.783 177.584 -0.145 0.000 1.172 129 A CA -1.294 50.708 52.037 -0.057 0.000 0.973 129 A CB 0.028 19.008 19.000 -0.034 0.000 1.164 129 A HN 0.406 nan 8.150 nan 0.000 0.542 130 P HA 0.177 nan 4.420 nan 0.000 0.276 130 P C 0.113 177.044 177.300 -0.615 0.000 1.235 130 P CA 0.264 63.006 63.100 -0.597 0.000 0.772 130 P CB 1.232 32.318 31.700 -1.022 0.000 0.871 131 E N 1.537 121.447 120.200 -0.484 0.000 2.385 131 E HA 0.048 4.398 4.350 -0.000 0.000 0.194 131 E C -0.239 176.276 176.600 -0.143 0.000 1.013 131 E CA -0.074 56.210 56.400 -0.193 0.000 0.866 131 E CB -0.338 29.294 29.700 -0.114 0.000 0.832 131 E HN 0.350 nan 8.360 nan 0.000 0.500 132 F N 1.486 121.317 119.950 -0.197 0.000 2.594 132 F HA -0.265 4.262 4.527 -0.000 0.000 0.208 132 F C 0.235 175.902 175.800 -0.223 0.000 1.032 132 F CA 0.459 58.301 58.000 -0.263 0.000 0.877 132 F CB -1.654 37.059 39.000 -0.479 0.000 0.814 132 F HN -0.088 nan 8.300 nan 0.000 0.844 133 R N 1.209 121.578 120.500 -0.219 0.000 2.442 133 R HA 0.193 4.533 4.340 -0.000 0.000 0.291 133 R C 1.668 177.594 176.300 -0.624 0.000 1.069 133 R CA -0.495 55.258 56.100 -0.579 0.000 1.022 133 R CB 0.483 30.209 30.300 -0.958 0.000 0.976 133 R HN 0.457 nan 8.270 nan 0.000 0.443 134 R N 2.254 122.413 120.500 -0.570 0.000 2.162 134 R HA -0.260 4.080 4.340 -0.000 0.000 0.245 134 R C 1.662 177.872 176.300 -0.150 0.000 1.129 134 R CA 2.857 58.803 56.100 -0.257 0.000 0.940 134 R CB -0.206 30.040 30.300 -0.090 0.000 0.875 134 R HN 0.808 nan 8.270 nan 0.000 0.437 135 W N 0.030 121.352 121.300 0.036 0.000 2.476 135 W HA 0.068 4.728 4.660 -0.000 0.000 0.281 135 W C 1.368 177.901 176.519 0.024 0.000 1.230 135 W CA 0.462 57.822 57.345 0.024 0.000 1.287 135 W CB -0.424 29.048 29.460 0.019 0.000 1.108 135 W HN 0.052 nan 8.180 nan 0.000 0.567 136 E N 1.047 121.148 120.200 -0.166 0.000 2.072 136 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 136 E C 2.289 178.878 176.600 -0.018 0.000 0.985 136 E CA 1.559 57.945 56.400 -0.023 0.000 0.801 136 E CB -0.387 29.245 29.700 -0.114 0.000 0.750 136 E HN 0.196 nan 8.360 nan 0.000 0.452 137 V N 1.531 121.404 119.914 -0.067 0.000 2.307 137 V HA -0.263 3.857 4.120 -0.000 0.000 0.245 137 V C 2.389 178.471 176.094 -0.020 0.000 1.045 137 V CA 1.805 64.082 62.300 -0.038 0.000 1.024 137 V CB -0.664 31.125 31.823 -0.057 0.000 0.651 137 V HN 0.296 nan 8.190 nan 0.000 0.449 138 A N 0.112 122.934 122.820 0.004 0.000 1.903 138 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 138 A C 2.369 179.973 177.584 0.034 0.000 1.191 138 A CA 2.607 54.662 52.037 0.030 0.000 0.638 138 A CB -0.967 18.076 19.000 0.072 0.000 0.823 138 A HN 0.652 nan 8.150 nan 0.000 0.451 139 A N -1.366 121.490 122.820 0.059 0.000 2.067 139 A HA 0.110 4.430 4.320 -0.000 0.000 0.219 139 A C 2.056 179.655 177.584 0.025 0.000 1.158 139 A CA 1.570 53.639 52.037 0.053 0.000 0.661 139 A CB -0.387 18.664 19.000 0.086 0.000 0.801 139 A HN 0.806 nan 8.150 nan 0.000 0.452 140 L N -1.189 120.039 121.223 0.009 0.000 2.416 140 L HA 0.020 4.360 4.340 -0.000 0.000 0.216 140 L C 2.151 178.996 176.870 -0.042 0.000 1.098 140 L CA 0.969 55.802 54.840 -0.013 0.000 0.840 140 L CB -0.345 41.707 42.059 -0.012 0.000 0.981 140 L HN 0.309 nan 8.230 nan 0.000 0.462 141 Q N 0.633 120.406 119.800 -0.046 0.000 2.118 141 Q HA -0.220 4.120 4.340 -0.000 0.000 0.211 141 Q C -0.292 175.668 176.000 -0.066 0.000 0.998 141 Q CA 2.497 58.260 55.803 -0.068 0.000 0.872 141 Q CB -1.931 26.775 28.738 -0.054 0.000 0.925 141 Q HN 0.468 nan 8.270 nan 0.000 0.414 142 P HA -0.128 nan 4.420 nan 0.000 0.225 142 P C 1.144 178.421 177.300 -0.038 0.000 1.148 142 P CA 1.098 64.178 63.100 -0.033 0.000 0.779 142 P CB -0.061 31.630 31.700 -0.016 0.000 0.780 143 Q N -0.446 119.326 119.800 -0.046 0.000 2.291 143 Q HA -0.076 4.264 4.340 -0.000 0.000 0.205 143 Q C 1.765 177.724 176.000 -0.068 0.000 0.970 143 Q CA 1.135 56.913 55.803 -0.043 0.000 0.876 143 Q CB -1.086 27.630 28.738 -0.036 0.000 0.935 143 Q HN 0.213 nan 8.270 nan 0.000 0.455 144 L N -0.620 120.524 121.223 -0.131 0.000 2.056 144 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 144 L C 2.493 179.338 176.870 -0.041 0.000 1.078 144 L CA 1.573 56.290 54.840 -0.204 0.000 0.749 144 L CB -0.325 41.569 42.059 -0.275 0.000 0.901 144 L HN 0.168 nan 8.230 nan 0.000 0.433 145 R N 0.630 121.110 120.500 -0.034 0.000 2.066 145 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 145 R C 2.195 178.491 176.300 -0.006 0.000 1.131 145 R CA 1.391 57.483 56.100 -0.013 0.000 0.955 145 R CB -0.286 30.002 30.300 -0.021 0.000 0.851 145 R HN 0.174 nan 8.270 nan 0.000 0.432 146 I N 0.751 121.318 120.570 -0.005 0.000 2.113 146 I HA -0.261 3.909 4.170 -0.000 0.000 0.238 146 I C 2.058 178.185 176.117 0.017 0.000 1.070 146 I CA 1.933 63.232 61.300 -0.001 0.000 1.332 146 I CB -0.508 37.492 38.000 0.000 0.000 1.044 146 I HN 0.270 nan 8.210 nan 0.000 0.402 147 D N 0.818 121.253 120.400 0.059 0.000 2.126 147 D HA -0.282 4.358 4.640 -0.000 0.000 0.190 147 D C 2.201 178.567 176.300 0.110 0.000 1.001 147 D CA 1.724 55.809 54.000 0.142 0.000 0.841 147 D CB -0.032 40.940 40.800 0.286 0.000 0.949 147 D HN 0.121 nan 8.370 nan 0.000 0.446 148 K N -0.525 119.953 120.400 0.130 0.000 2.026 148 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 148 K C 2.077 178.574 176.600 -0.171 0.000 1.048 148 K CA 1.224 57.478 56.287 -0.054 0.000 0.929 148 K CB -0.226 32.309 32.500 0.058 0.000 0.713 148 K HN 0.169 nan 8.250 nan 0.000 0.439 149 A N 0.472 123.238 122.820 -0.089 0.000 1.940 149 A HA -0.126 4.193 4.320 -0.000 0.000 0.219 149 A C 2.204 179.726 177.584 -0.103 0.000 1.176 149 A CA 1.636 53.615 52.037 -0.096 0.000 0.631 149 A CB -0.543 18.422 19.000 -0.058 0.000 0.814 149 A HN 0.177 nan 8.150 nan 0.000 0.446 150 V N -0.426 119.439 119.914 -0.082 0.000 2.379 150 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 150 V C 3.007 179.039 176.094 -0.102 0.000 1.044 150 V CA 1.769 64.029 62.300 -0.066 0.000 1.036 150 V CB -1.126 30.682 31.823 -0.025 0.000 0.664 150 V HN 0.620 nan 8.190 nan 0.000 0.453 151 A N -0.132 122.577 122.820 -0.185 0.000 1.855 151 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 151 A C 2.016 179.448 177.584 -0.253 0.000 1.191 151 A CA 1.586 53.462 52.037 -0.267 0.000 0.613 151 A CB -0.677 17.959 19.000 -0.606 0.000 0.829 151 A HN 0.413 nan 8.150 nan 0.000 0.442 152 L N 0.806 121.843 121.223 -0.311 0.000 2.551 152 L HA -0.198 4.142 4.340 -0.000 0.000 0.230 152 L C 2.558 179.337 176.870 -0.151 0.000 1.163 152 L CA 1.819 56.519 54.840 -0.233 0.000 0.826 152 L CB -0.601 41.293 42.059 -0.274 0.000 0.943 152 L HN 0.736 nan 8.230 nan 0.000 0.452 153 Q N -1.176 118.552 119.800 -0.120 0.000 2.515 153 Q HA -0.041 4.299 4.340 -0.000 0.000 0.212 153 Q C -0.261 175.703 176.000 -0.061 0.000 0.970 153 Q CA 0.343 56.099 55.803 -0.079 0.000 0.941 153 Q CB -0.260 28.443 28.738 -0.059 0.000 0.998 153 Q HN 0.445 nan 8.270 nan 0.000 0.518 154 N N 2.502 121.162 118.700 -0.067 0.000 2.437 154 N HA 0.160 4.900 4.740 -0.000 0.000 0.259 154 N C -2.093 173.369 175.510 -0.080 0.000 0.983 154 N CA -1.648 51.373 53.050 -0.048 0.000 0.937 154 N CB 1.602 40.076 38.487 -0.021 0.000 1.122 154 N HN 0.014 nan 8.380 nan 0.000 0.499 155 P HA -0.180 nan 4.420 nan 0.000 0.218 155 P C 0.761 177.947 177.300 -0.190 0.000 1.146 155 P CA 1.445 64.367 63.100 -0.298 0.000 0.813 155 P CB 0.494 31.735 31.700 -0.766 0.000 0.778 156 Q N 0.057 119.818 119.800 -0.064 0.000 2.170 156 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 156 Q C 2.343 178.411 176.000 0.113 0.000 0.976 156 Q CA 1.863 57.732 55.803 0.110 0.000 0.858 156 Q CB -1.305 27.455 28.738 0.037 0.000 0.907 156 Q HN 0.241 nan 8.270 nan 0.000 0.433 157 A N 0.214 123.074 122.820 0.067 0.000 1.898 157 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 157 A C 1.901 179.577 177.584 0.155 0.000 1.181 157 A CA 1.703 53.796 52.037 0.094 0.000 0.620 157 A CB -0.653 18.347 19.000 -0.000 0.000 0.819 157 A HN 0.389 nan 8.150 nan 0.000 0.442 158 H N -0.292 118.776 119.070 -0.004 0.000 2.395 158 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 158 H C 1.992 177.340 175.328 0.033 0.000 1.070 158 H CA 1.544 57.594 56.048 0.005 0.000 1.356 158 H CB -0.284 29.459 29.762 -0.032 0.000 1.401 158 H HN 0.141 nan 8.280 nan 0.000 0.524 159 V N 0.315 120.269 119.914 0.067 0.000 2.332 159 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 159 V C 2.455 178.578 176.094 0.047 0.000 1.055 159 V CA 2.013 64.326 62.300 0.022 0.000 1.038 159 V CB -0.481 31.413 31.823 0.119 0.000 0.651 159 V HN 0.337 nan 8.190 nan 0.000 0.450 160 I N -0.689 119.969 120.570 0.146 0.000 2.500 160 I HA -0.127 4.043 4.170 -0.000 0.000 0.252 160 I C 2.449 178.744 176.117 0.296 0.000 1.142 160 I CA 1.030 62.466 61.300 0.226 0.000 1.451 160 I CB -0.368 37.812 38.000 0.299 0.000 1.093 160 I HN 0.316 nan 8.210 nan 0.000 0.430 161 E N 1.030 121.345 120.200 0.191 0.000 2.021 161 E HA -0.272 4.078 4.350 -0.000 0.000 0.200 161 E C 1.861 178.523 176.600 0.104 0.000 1.015 161 E CA 1.823 58.318 56.400 0.158 0.000 0.824 161 E CB -0.359 29.442 29.700 0.168 0.000 0.762 161 E HN 0.580 nan 8.360 nan 0.000 0.454 162 N N 0.674 119.351 118.700 -0.037 0.000 2.104 162 N HA -0.144 4.596 4.740 -0.000 0.000 0.190 162 N C 2.069 177.549 175.510 -0.050 0.000 1.024 162 N CA 0.351 53.341 53.050 -0.100 0.000 0.853 162 N CB -0.077 38.268 38.487 -0.237 0.000 1.008 162 N HN 0.088 nan 8.380 nan 0.000 0.424 163 L N 0.646 121.844 121.223 -0.041 0.000 2.042 163 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 163 L C 1.806 178.612 176.870 -0.107 0.000 1.076 163 L CA 1.830 56.601 54.840 -0.114 0.000 0.749 163 L CB -0.387 41.568 42.059 -0.172 0.000 0.893 163 L HN 0.330 nan 8.230 nan 0.000 0.432 164 H N -0.999 118.112 119.070 0.068 0.000 2.343 164 H HA 0.002 4.558 4.556 -0.000 0.000 0.303 164 H C 2.214 177.621 175.328 0.131 0.000 1.068 164 H CA 1.293 57.444 56.048 0.171 0.000 1.359 164 H CB -0.163 29.714 29.762 0.193 0.000 1.402 164 H HN 0.406 nan 8.280 nan 0.000 0.515 165 A N 0.722 123.648 122.820 0.176 0.000 1.986 165 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 165 A C 2.408 180.024 177.584 0.053 0.000 1.171 165 A CA 1.877 53.977 52.037 0.104 0.000 0.640 165 A CB -0.931 18.109 19.000 0.066 0.000 0.811 165 A HN 0.490 nan 8.150 nan 0.000 0.451 166 A N -0.805 122.003 122.820 -0.021 0.000 1.943 166 A HA 0.420 4.740 4.320 -0.000 0.000 0.213 166 A C 2.440 179.880 177.584 -0.240 0.000 1.181 166 A CA 1.400 53.375 52.037 -0.103 0.000 0.653 166 A CB -0.821 18.092 19.000 -0.145 0.000 0.833 166 A HN 0.924 nan 8.150 nan 0.000 0.451 167 A N -0.990 121.645 122.820 -0.310 0.000 1.858 167 A HA 0.139 4.459 4.320 -0.000 0.000 0.216 167 A C 0.702 177.809 177.584 -0.794 0.000 1.190 167 A CA 0.855 52.482 52.037 -0.683 0.000 0.617 167 A CB -0.495 18.074 19.000 -0.717 0.000 0.827 167 A HN 0.477 nan 8.150 nan 0.000 0.443 168 Y N -0.988 119.254 120.300 -0.095 0.000 2.387 168 Y HA 0.454 5.004 4.550 -0.000 0.000 0.336 168 Y C 1.292 177.209 175.900 0.029 0.000 1.067 168 Y CA -0.860 57.227 58.100 -0.022 0.000 1.114 168 Y CB 1.118 39.596 38.460 0.030 0.000 1.208 168 Y HN 0.299 nan 8.280 nan 0.000 0.458 169 R N 0.524 121.118 120.500 0.157 0.000 2.320 169 R HA 0.125 4.465 4.340 -0.000 0.000 0.211 169 R C -0.711 175.608 176.300 0.033 0.000 0.931 169 R CA 0.586 56.693 56.100 0.012 0.000 1.071 169 R CB -0.157 30.037 30.300 -0.177 0.000 1.025 169 R HN 0.703 nan 8.270 nan 0.000 0.495 170 N N 0.053 118.807 118.700 0.089 0.000 2.342 170 N HA 0.319 5.059 4.740 -0.000 0.000 0.128 170 N C 0.536 176.041 175.510 -0.008 0.000 1.745 170 N CA 0.683 53.756 53.050 0.038 0.000 1.221 170 N CB 0.191 38.706 38.487 0.047 0.000 1.349 170 N HN -0.006 nan 8.380 nan 0.000 0.294 171 A N -0.049 122.718 122.820 -0.089 0.000 1.963 171 A HA 0.339 4.659 4.320 -0.000 0.000 0.207 171 A C 1.793 179.231 177.584 -0.244 0.000 1.243 171 A CA 0.366 52.301 52.037 -0.170 0.000 0.728 171 A CB -0.621 18.238 19.000 -0.235 0.000 0.895 171 A HN 0.362 nan 8.150 nan 0.000 0.467 172 L N -0.046 120.957 121.223 -0.367 0.000 2.465 172 L HA -0.023 4.317 4.340 -0.000 0.000 0.224 172 L C 2.723 179.553 176.870 -0.067 0.000 1.145 172 L CA 0.563 55.137 54.840 -0.443 0.000 0.834 172 L CB -0.313 41.164 42.059 -0.971 0.000 0.944 172 L HN 0.422 nan 8.230 nan 0.000 0.451 173 A N 0.138 122.992 122.820 0.055 0.000 1.972 173 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 173 A C 0.911 178.542 177.584 0.079 0.000 1.169 173 A CA 0.618 52.748 52.037 0.155 0.000 0.635 173 A CB -0.778 18.305 19.000 0.138 0.000 0.810 173 A HN 0.501 nan 8.150 nan 0.000 0.446 174 N N 0.384 119.084 118.700 0.000 0.000 2.458 174 N HA 0.243 4.983 4.740 -0.000 0.000 0.258 174 N C -0.158 175.330 175.510 -0.037 0.000 1.219 174 N CA -0.010 53.032 53.050 -0.013 0.000 0.902 174 N CB 0.494 38.953 38.487 -0.046 0.000 1.076 174 N HN 0.228 nan 8.380 nan 0.000 0.455 175 S N 1.079 116.777 115.700 -0.004 0.000 2.616 175 S HA 0.240 4.710 4.470 -0.000 0.000 0.277 175 S C 1.172 175.712 174.600 -0.100 0.000 1.234 175 S CA -0.888 57.304 58.200 -0.013 0.000 1.028 175 S CB 0.515 63.767 63.200 0.086 0.000 0.988 175 S HN 0.465 nan 8.310 nan 0.000 0.522 176 L N 2.561 123.662 121.223 -0.205 0.000 2.551 176 L HA 0.225 4.565 4.340 -0.000 0.000 0.228 176 L C -0.288 176.093 176.870 -0.815 0.000 1.153 176 L CA 0.627 55.186 54.840 -0.468 0.000 0.851 176 L CB -0.922 40.806 42.059 -0.552 0.000 0.959 176 L HN 0.473 nan 8.230 nan 0.000 0.451 177 Y N -1.255 118.919 120.300 -0.211 0.000 2.487 177 Y HA 0.417 4.967 4.550 -0.000 0.000 0.337 177 Y C 0.349 176.256 175.900 0.011 0.000 1.076 177 Y CA -1.597 56.357 58.100 -0.244 0.000 1.115 177 Y CB 1.088 39.458 38.460 -0.149 0.000 1.235 177 Y HN -0.148 nan 8.280 nan 0.000 0.468 178 C N 6.605 126.144 119.300 0.399 0.000 2.566 178 C HA 0.371 4.831 4.460 -0.000 0.000 0.393 178 C C -2.130 172.913 174.990 0.088 0.000 1.309 178 C CA -2.073 57.056 59.018 0.186 0.000 1.801 178 C CB -0.790 27.031 27.740 0.134 0.000 2.493 178 C HN 0.500 nan 8.230 nan 0.000 0.575 179 P HA 0.052 nan 4.420 nan 0.000 0.264 179 P C 0.418 177.678 177.300 -0.066 0.000 1.183 179 P CA 0.588 63.695 63.100 0.013 0.000 0.763 179 P CB 0.560 32.272 31.700 0.021 0.000 0.807 180 D N 2.315 122.737 120.400 0.037 0.000 2.149 180 D HA -0.235 4.405 4.640 -0.000 0.000 0.194 180 D C 1.724 178.038 176.300 0.022 0.000 1.001 180 D CA 1.855 55.872 54.000 0.030 0.000 0.849 180 D CB -1.062 39.775 40.800 0.061 0.000 0.939 180 D HN 0.638 nan 8.370 nan 0.000 0.449 181 Y N 0.075 120.385 120.300 0.017 0.000 2.483 181 Y HA 0.014 4.564 4.550 -0.000 0.000 0.291 181 Y C 1.723 177.627 175.900 0.007 0.000 1.143 181 Y CA 0.801 58.908 58.100 0.011 0.000 1.289 181 Y CB -0.120 38.348 38.460 0.013 0.000 0.983 181 Y HN -0.206 nan 8.280 nan 0.000 0.556 182 R N 1.056 121.185 120.500 -0.618 0.000 2.246 182 R HA 0.245 4.585 4.340 -0.000 0.000 0.199 182 R C 0.218 176.385 176.300 -0.221 0.000 0.984 182 R CA 0.028 55.833 56.100 -0.491 0.000 1.015 182 R CB -0.203 29.744 30.300 -0.587 0.000 0.930 182 R HN 0.393 nan 8.270 nan 0.000 0.475 183 I N 1.280 121.760 120.570 -0.150 0.000 2.581 183 I HA -0.042 4.128 4.170 -0.000 0.000 0.285 183 I C 1.161 177.236 176.117 -0.071 0.000 1.129 183 I CA 0.923 62.162 61.300 -0.101 0.000 1.397 183 I CB 0.404 38.361 38.000 -0.071 0.000 1.399 183 I HN 0.407 nan 8.210 nan 0.000 0.537 184 G N 5.058 113.814 108.800 -0.074 0.000 2.176 184 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 184 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 184 G C 0.862 175.735 174.900 -0.045 0.000 0.979 184 G CA 0.043 45.113 45.100 -0.049 0.000 0.641 184 G HN 0.654 nan 8.290 nan 0.000 0.530 185 K N -0.453 119.909 120.400 -0.065 0.000 2.360 185 K HA 0.355 4.675 4.320 -0.000 0.000 0.196 185 K C 0.884 177.443 176.600 -0.068 0.000 1.049 185 K CA 0.209 56.465 56.287 -0.052 0.000 1.049 185 K CB 1.016 33.495 32.500 -0.035 0.000 0.881 185 K HN 0.252 nan 8.250 nan 0.000 0.542 186 V N 3.502 123.355 119.914 -0.100 0.000 2.479 186 V HA -0.008 4.112 4.120 -0.000 0.000 0.281 186 V C 0.563 176.593 176.094 -0.108 0.000 1.031 186 V CA -0.151 62.078 62.300 -0.117 0.000 1.038 186 V CB 0.416 32.145 31.823 -0.156 0.000 0.981 186 V HN 0.297 nan 8.190 nan 0.000 0.478 187 T N 4.386 118.883 114.554 -0.096 0.000 2.909 187 T HA 0.333 4.683 4.350 -0.000 0.000 0.289 187 T C -1.293 173.333 174.700 -0.123 0.000 1.005 187 T CA -1.923 60.129 62.100 -0.080 0.000 1.084 187 T CB 1.575 70.417 68.868 -0.042 0.000 0.975 187 T HN 0.465 nan 8.240 nan 0.000 0.509 188 P HA -0.198 nan 4.420 nan 0.000 0.217 188 P C 1.773 179.055 177.300 -0.031 0.000 1.151 188 P CA 1.106 64.155 63.100 -0.085 0.000 0.849 188 P CB -0.206 31.502 31.700 0.014 0.000 0.787 189 V N 0.027 119.951 119.914 0.017 0.000 2.427 189 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 189 V C 2.209 178.299 176.094 -0.008 0.000 1.051 189 V CA 1.902 64.235 62.300 0.055 0.000 1.048 189 V CB -1.266 30.573 31.823 0.027 0.000 0.666 189 V HN -0.011 nan 8.190 nan 0.000 0.456 190 E N 0.052 120.210 120.200 -0.070 0.000 2.160 190 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 190 E C 2.063 178.579 176.600 -0.140 0.000 0.991 190 E CA 2.006 58.360 56.400 -0.076 0.000 0.810 190 E CB -0.236 29.413 29.700 -0.085 0.000 0.742 190 E HN 0.697 nan 8.360 nan 0.000 0.466 191 L N -0.414 120.580 121.223 -0.382 0.000 2.127 191 L HA -0.080 4.260 4.340 -0.000 0.000 0.203 191 L C 2.396 178.903 176.870 -0.605 0.000 1.080 191 L CA 0.663 55.067 54.840 -0.727 0.000 0.768 191 L CB -0.476 40.619 42.059 -1.606 0.000 0.924 191 L HN 0.158 nan 8.230 nan 0.000 0.444 192 H N 0.504 119.346 119.070 -0.380 0.000 2.319 192 H HA -0.189 4.367 4.556 -0.000 0.000 0.297 192 H C 1.754 177.056 175.328 -0.044 0.000 1.097 192 H CA 1.878 57.920 56.048 -0.010 0.000 1.285 192 H CB -0.085 29.708 29.762 0.052 0.000 1.368 192 H HN 0.336 nan 8.280 nan 0.000 0.495 193 D N -0.197 120.238 120.400 0.058 0.000 2.144 193 D HA -0.145 4.495 4.640 -0.000 0.000 0.199 193 D C 2.113 178.395 176.300 -0.030 0.000 0.984 193 D CA 0.720 54.725 54.000 0.010 0.000 0.834 193 D CB -0.537 40.270 40.800 0.013 0.000 0.955 193 D HN 0.350 nan 8.370 nan 0.000 0.465 194 Y N 0.896 121.130 120.300 -0.109 0.000 2.242 194 Y HA -0.174 4.376 4.550 -0.000 0.000 0.291 194 Y C 2.262 178.107 175.900 -0.091 0.000 1.137 194 Y CA 0.973 59.062 58.100 -0.018 0.000 1.181 194 Y CB -0.047 38.414 38.460 0.002 0.000 0.989 194 Y HN -0.206 nan 8.280 nan 0.000 0.527 195 V N -0.305 119.532 119.914 -0.128 0.000 2.379 195 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 195 V C 2.002 177.995 176.094 -0.169 0.000 1.044 195 V CA 2.089 64.135 62.300 -0.424 0.000 1.036 195 V CB -0.533 31.032 31.823 -0.431 0.000 0.664 195 V HN 0.345 nan 8.190 nan 0.000 0.453 196 Q N 0.607 120.352 119.800 -0.093 0.000 2.167 196 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 196 Q C 1.894 177.826 176.000 -0.114 0.000 0.970 196 Q CA 1.647 57.416 55.803 -0.058 0.000 0.855 196 Q CB -0.139 28.582 28.738 -0.029 0.000 0.911 196 Q HN 0.902 nan 8.270 nan 0.000 0.438 197 N N -1.976 116.573 118.700 -0.253 0.000 2.205 197 N HA -0.030 4.710 4.740 -0.000 0.000 0.201 197 N C 0.432 175.619 175.510 -0.538 0.000 1.128 197 N CA 0.208 53.031 53.050 -0.379 0.000 0.867 197 N CB 0.314 38.568 38.487 -0.387 0.000 0.996 197 N HN 0.344 nan 8.380 nan 0.000 0.503 198 H N -1.032 117.973 119.070 -0.108 0.000 2.927 198 H HA 0.263 4.819 4.556 -0.000 0.000 0.255 198 H C -0.298 175.144 175.328 0.189 0.000 0.974 198 H CA -0.263 55.744 56.048 -0.068 0.000 1.199 198 H CB 0.283 29.907 29.762 -0.231 0.000 1.447 198 H HN 0.046 nan 8.280 nan 0.000 0.467 199 F N 3.360 123.320 119.950 0.016 0.000 2.660 199 F HA 0.209 4.736 4.527 -0.000 0.000 0.342 199 F C 0.694 176.490 175.800 -0.006 0.000 1.195 199 F CA -0.659 57.354 58.000 0.023 0.000 1.300 199 F CB -0.715 38.307 39.000 0.037 0.000 1.616 199 F HN 0.002 nan 8.300 nan 0.000 0.592 200 T N -4.178 110.454 114.554 0.129 0.000 2.932 200 T HA 0.342 4.692 4.350 -0.000 0.000 0.289 200 T C 1.359 176.077 174.700 0.030 0.000 1.039 200 T CA -0.581 61.554 62.100 0.059 0.000 1.024 200 T CB 1.783 70.663 68.868 0.020 0.000 1.090 200 T HN 0.033 nan 8.240 nan 0.000 0.496 201 S N 1.301 117.013 115.700 0.020 0.000 2.378 201 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 201 S C 2.353 176.955 174.600 0.004 0.000 1.052 201 S CA 1.789 59.994 58.200 0.008 0.000 1.084 201 S CB -1.024 62.178 63.200 0.002 0.000 0.950 201 S HN 1.005 nan 8.310 nan 0.000 0.440 202 A N 0.752 123.575 122.820 0.004 0.000 2.168 202 A HA 0.026 4.346 4.320 -0.000 0.000 0.215 202 A C 1.754 179.342 177.584 0.005 0.000 1.152 202 A CA 0.683 52.724 52.037 0.006 0.000 0.716 202 A CB -0.203 18.800 19.000 0.006 0.000 0.794 202 A HN 0.468 nan 8.150 nan 0.000 0.465 203 R N -1.402 119.096 120.500 -0.003 0.000 2.552 203 R HA 0.460 4.800 4.340 -0.000 0.000 0.314 203 R C -0.493 175.803 176.300 -0.007 0.000 1.041 203 R CA 0.002 56.093 56.100 -0.015 0.000 1.076 203 R CB 0.278 30.550 30.300 -0.046 0.000 1.290 203 R HN 0.405 nan 8.270 nan 0.000 0.563 204 M N 0.022 119.625 119.600 0.004 0.000 2.550 204 M HA 0.601 5.081 4.480 -0.000 0.000 0.292 204 M C -1.456 174.856 176.300 0.020 0.000 1.221 204 M CA -0.859 54.445 55.300 0.006 0.000 0.873 204 M CB 2.777 35.371 32.600 -0.009 0.000 1.727 204 M HN 0.013 nan 8.290 nan 0.000 0.459 205 A N 2.272 125.124 122.820 0.054 0.000 2.427 205 A HA 0.780 5.100 4.320 -0.000 0.000 0.298 205 A C -2.026 175.614 177.584 0.094 0.000 1.036 205 A CA -0.552 51.511 52.037 0.042 0.000 0.701 205 A CB 1.504 20.525 19.000 0.035 0.000 1.250 205 A HN 0.717 nan 8.150 nan 0.000 0.412 206 L N 4.574 125.816 121.223 0.030 0.000 2.301 206 L HA 0.598 4.938 4.340 -0.000 0.000 0.278 206 L C -1.180 175.717 176.870 0.046 0.000 1.022 206 L CA -0.359 54.511 54.840 0.050 0.000 0.854 206 L CB 0.622 42.685 42.059 0.006 0.000 1.226 206 L HN 0.539 nan 8.230 nan 0.000 0.429 207 I N 3.974 124.618 120.570 0.123 0.000 2.412 207 I HA 0.667 4.837 4.170 -0.000 0.000 0.296 207 I C 0.650 176.829 176.117 0.104 0.000 0.987 207 I CA -0.598 60.758 61.300 0.095 0.000 1.180 207 I CB 1.202 39.266 38.000 0.108 0.000 1.340 207 I HN 0.666 nan 8.210 nan 0.000 0.455 208 G N 6.070 114.915 108.800 0.076 0.000 2.666 208 G HA2 0.655 4.615 3.960 -0.000 0.000 0.303 208 G HA3 0.655 4.615 3.960 -0.000 0.000 0.303 208 G C -1.591 173.353 174.900 0.073 0.000 1.412 208 G CA -0.333 44.810 45.100 0.071 0.000 0.979 208 G HN 0.360 nan 8.290 nan 0.000 0.507 209 L N 1.657 122.925 121.223 0.074 0.000 2.333 209 L HA 0.670 5.010 4.340 -0.000 0.000 0.280 209 L C 1.052 177.932 176.870 0.017 0.000 1.004 209 L CA 0.694 55.571 54.840 0.062 0.000 0.820 209 L CB 2.027 44.152 42.059 0.110 0.000 1.247 209 L HN 1.123 nan 8.230 nan 0.000 0.416 210 G N 2.731 111.513 108.800 -0.031 0.000 2.147 210 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.244 210 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.244 210 G C -0.234 174.640 174.900 -0.043 0.000 1.005 210 G CA 0.229 45.295 45.100 -0.056 0.000 0.713 210 G HN 0.503 nan 8.290 nan 0.000 0.515 211 V N -0.417 119.478 119.914 -0.031 0.000 3.126 211 V HA 0.896 5.016 4.120 -0.000 0.000 0.314 211 V C 0.649 176.736 176.094 -0.012 0.000 1.138 211 V CA -0.345 61.948 62.300 -0.012 0.000 1.034 211 V CB 1.925 33.755 31.823 0.012 0.000 1.075 211 V HN 1.076 nan 8.190 nan 0.000 0.442 212 S N -0.989 114.715 115.700 0.007 0.000 2.617 212 S HA 0.405 4.875 4.470 -0.000 0.000 0.283 212 S C 0.692 175.341 174.600 0.081 0.000 1.189 212 S CA -0.106 58.113 58.200 0.031 0.000 1.036 212 S CB 1.182 64.397 63.200 0.024 0.000 1.014 212 S HN 0.776 nan 8.310 nan 0.000 0.522 213 H N 2.669 121.728 119.070 -0.019 0.000 2.353 213 H HA 0.118 4.673 4.556 -0.000 0.000 0.300 213 H C -1.246 174.075 175.328 -0.011 0.000 1.090 213 H CA 1.946 57.985 56.048 -0.015 0.000 1.327 213 H CB -1.242 28.515 29.762 -0.009 0.000 1.383 213 H HN 0.539 nan 8.280 nan 0.000 0.508 214 P HA -0.157 nan 4.420 nan 0.000 0.216 214 P C 1.693 178.967 177.300 -0.043 0.000 1.150 214 P CA 1.178 64.265 63.100 -0.022 0.000 0.837 214 P CB 0.093 31.801 31.700 0.014 0.000 0.786 215 V N -0.726 119.176 119.914 -0.020 0.000 2.323 215 V HA -0.186 3.934 4.120 -0.000 0.000 0.244 215 V C 2.461 178.540 176.094 -0.025 0.000 1.041 215 V CA 1.431 63.724 62.300 -0.011 0.000 1.025 215 V CB -1.099 30.726 31.823 0.004 0.000 0.656 215 V HN 0.069 nan 8.190 nan 0.000 0.451 216 L N -0.303 120.890 121.223 -0.050 0.000 1.989 216 L HA -0.242 4.098 4.340 -0.000 0.000 0.211 216 L C 2.660 179.458 176.870 -0.120 0.000 1.071 216 L CA 1.952 56.750 54.840 -0.071 0.000 0.749 216 L CB -0.617 41.397 42.059 -0.074 0.000 0.890 216 L HN 0.305 nan 8.230 nan 0.000 0.431 217 K N -0.349 119.919 120.400 -0.220 0.000 2.103 217 K HA -0.283 4.037 4.320 -0.000 0.000 0.207 217 K C 2.125 178.662 176.600 -0.106 0.000 1.048 217 K CA 1.705 57.866 56.287 -0.210 0.000 0.930 217 K CB 0.047 32.386 32.500 -0.269 0.000 0.716 217 K HN 0.171 nan 8.250 nan 0.000 0.444 218 Q N 0.377 120.135 119.800 -0.070 0.000 1.993 218 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 218 Q C 1.946 177.944 176.000 -0.003 0.000 0.984 218 Q CA 2.307 58.088 55.803 -0.036 0.000 0.837 218 Q CB -0.115 28.616 28.738 -0.012 0.000 0.902 218 Q HN 0.274 nan 8.270 nan 0.000 0.423 219 V N -1.365 118.585 119.914 0.060 0.000 2.490 219 V HA -0.145 3.975 4.120 -0.000 0.000 0.250 219 V C 2.139 178.313 176.094 0.134 0.000 1.061 219 V CA 1.732 64.148 62.300 0.194 0.000 1.064 219 V CB -1.671 30.266 31.823 0.190 0.000 0.670 219 V HN 0.392 nan 8.190 nan 0.000 0.461 220 A N 0.411 123.248 122.820 0.029 0.000 1.877 220 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 220 A C 2.206 179.773 177.584 -0.029 0.000 1.186 220 A CA 2.084 54.119 52.037 -0.005 0.000 0.620 220 A CB -0.714 18.255 19.000 -0.053 0.000 0.822 220 A HN 0.609 nan 8.150 nan 0.000 0.443 221 E N -0.805 119.360 120.200 -0.060 0.000 2.110 221 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 221 E C 2.315 178.831 176.600 -0.140 0.000 0.988 221 E CA 1.429 57.778 56.400 -0.086 0.000 0.804 221 E CB -0.070 29.579 29.700 -0.085 0.000 0.745 221 E HN 0.733 nan 8.360 nan 0.000 0.458 222 Q N -1.352 118.322 119.800 -0.209 0.000 2.033 222 Q HA -0.043 4.297 4.340 -0.000 0.000 0.196 222 Q C 1.258 176.897 176.000 -0.601 0.000 0.970 222 Q CA 1.080 56.581 55.803 -0.503 0.000 0.828 222 Q CB 0.203 28.476 28.738 -0.775 0.000 0.895 222 Q HN 0.289 nan 8.270 nan 0.000 0.440 223 F N -1.267 118.664 119.950 -0.032 0.000 2.694 223 F HA 0.179 4.706 4.527 -0.000 0.000 0.292 223 F C 1.265 177.051 175.800 -0.023 0.000 1.121 223 F CA 0.199 58.183 58.000 -0.028 0.000 1.352 223 F CB 0.599 39.580 39.000 -0.031 0.000 1.107 223 F HN -0.086 nan 8.300 nan 0.000 0.597 224 L N -0.230 121.059 121.223 0.109 0.000 2.769 224 L HA 0.215 4.555 4.340 -0.000 0.000 0.240 224 L C 0.373 177.258 176.870 0.024 0.000 1.163 224 L CA -0.076 54.803 54.840 0.065 0.000 0.962 224 L CB -0.254 41.834 42.059 0.049 0.000 1.258 224 L HN -0.083 nan 8.230 nan 0.000 0.513 225 N N 2.236 120.937 118.700 0.002 0.000 2.895 225 N HA 0.163 4.903 4.740 -0.000 0.000 0.277 225 N C -0.724 174.787 175.510 0.001 0.000 1.185 225 N CA 0.160 53.204 53.050 -0.010 0.000 1.106 225 N CB 0.032 38.500 38.487 -0.032 0.000 1.422 225 N HN 0.135 nan 8.380 nan 0.000 0.521 226 I N 1.434 122.013 120.570 0.015 0.000 2.378 226 I HA 0.467 4.636 4.170 -0.000 0.000 0.291 226 I C 0.225 176.350 176.117 0.012 0.000 0.992 226 I CA -0.671 60.641 61.300 0.020 0.000 1.154 226 I CB 1.482 39.509 38.000 0.045 0.000 1.315 226 I HN 0.021 nan 8.210 nan 0.000 0.448 227 R N 3.796 124.298 120.500 0.003 0.000 2.508 227 R HA 0.534 4.874 4.340 -0.000 0.000 0.283 227 R C -0.325 175.969 176.300 -0.010 0.000 1.120 227 R CA -0.455 55.643 56.100 -0.003 0.000 0.958 227 R CB 2.208 32.505 30.300 -0.004 0.000 1.215 227 R HN 0.984 nan 8.270 nan 0.000 0.427 228 G N 1.184 109.973 108.800 -0.019 0.000 5.005 228 G HA2 0.227 4.187 3.960 -0.000 0.000 0.222 228 G HA3 0.227 4.187 3.960 -0.000 0.000 0.222 228 G C -0.182 174.690 174.900 -0.046 0.000 1.437 228 G CA 0.236 45.320 45.100 -0.027 0.000 0.894 228 G HN 0.765 nan 8.290 nan 0.000 0.394 229 G N -0.491 108.275 108.800 -0.057 0.000 3.264 229 G HA2 0.633 4.593 3.960 -0.000 0.000 0.168 229 G HA3 0.633 4.593 3.960 -0.000 0.000 0.168 229 G C -0.413 174.439 174.900 -0.079 0.000 1.145 229 G CA -0.763 44.279 45.100 -0.097 0.000 0.855 229 G HN 0.188 nan 8.290 nan 0.000 0.629 230 L N 0.726 121.889 121.223 -0.101 0.000 2.466 230 L HA 0.411 4.751 4.340 -0.000 0.000 0.257 230 L C 1.715 178.571 176.870 -0.024 0.000 1.189 230 L CA 0.987 55.800 54.840 -0.045 0.000 0.813 230 L CB 1.077 43.126 42.059 -0.017 0.000 1.118 230 L HN 0.717 nan 8.230 nan 0.000 0.471 231 G N 1.386 110.188 108.800 0.003 0.000 2.865 231 G HA2 0.123 4.083 3.960 -0.000 0.000 0.204 231 G HA3 0.123 4.083 3.960 -0.000 0.000 0.204 231 G C 0.121 175.039 174.900 0.030 0.000 1.140 231 G CA -0.197 44.910 45.100 0.011 0.000 0.842 231 G HN 0.379 nan 8.290 nan 0.000 0.631 232 L N 1.814 123.071 121.223 0.057 0.000 2.534 232 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 232 L C 1.609 178.568 176.870 0.148 0.000 1.178 232 L CA 0.138 55.032 54.840 0.089 0.000 0.907 232 L CB 0.682 42.796 42.059 0.091 0.000 1.164 232 L HN 0.031 nan 8.230 nan 0.000 0.482 233 S N 2.202 117.986 115.700 0.141 0.000 2.447 233 S HA 0.021 4.491 4.470 -0.000 0.000 0.233 233 S C 1.136 175.853 174.600 0.196 0.000 1.006 233 S CA 0.944 59.270 58.200 0.209 0.000 0.957 233 S CB -0.297 62.987 63.200 0.140 0.000 0.773 233 S HN 0.967 nan 8.310 nan 0.000 0.507 234 G N -0.018 108.860 108.800 0.130 0.000 4.190 234 G HA2 0.585 4.545 3.960 -0.000 0.000 0.328 234 G HA3 0.585 4.545 3.960 -0.000 0.000 0.328 234 G C 0.680 175.629 174.900 0.082 0.000 1.364 234 G CA 0.158 45.307 45.100 0.082 0.000 1.259 234 G HN 0.352 nan 8.290 nan 0.000 0.525 235 A N 1.217 124.097 122.820 0.101 0.000 2.131 235 A HA 0.249 4.569 4.320 -0.000 0.000 0.220 235 A C 1.250 178.850 177.584 0.027 0.000 1.158 235 A CA 1.325 53.407 52.037 0.075 0.000 0.665 235 A CB -0.271 18.791 19.000 0.103 0.000 0.795 235 A HN 0.890 nan 8.150 nan 0.000 0.460 236 K N -2.689 117.712 120.400 0.002 0.000 4.005 236 K HA -0.003 4.317 4.320 -0.000 0.000 0.970 236 K C -0.462 176.141 176.600 0.004 0.000 1.537 236 K CA 0.546 56.839 56.287 0.011 0.000 1.265 236 K CB -1.494 31.029 32.500 0.039 0.000 3.073 236 K HN 0.944 nan 8.250 nan 0.000 0.165 237 A N 4.931 127.745 122.820 -0.009 0.000 2.410 237 A HA 0.272 4.592 4.320 -0.000 0.000 0.292 237 A C -0.005 177.679 177.584 0.168 0.000 1.232 237 A CA -0.072 51.965 52.037 -0.001 0.000 0.893 237 A CB 0.341 19.251 19.000 -0.150 0.000 1.131 237 A HN 0.334 nan 8.150 nan 0.000 0.530 238 K N 3.008 123.517 120.400 0.182 0.000 2.219 238 K HA 0.100 4.420 4.320 -0.000 0.000 0.280 238 K C -0.719 176.073 176.600 0.320 0.000 1.104 238 K CA -0.147 56.266 56.287 0.211 0.000 0.925 238 K CB -0.015 32.555 32.500 0.117 0.000 1.261 238 K HN 0.703 nan 8.250 nan 0.000 0.445 239 Y N 3.489 123.947 120.300 0.262 0.000 2.526 239 Y HA -0.103 4.446 4.550 -0.000 0.000 0.330 239 Y C 1.526 177.484 175.900 0.096 0.000 1.156 239 Y CA 0.967 59.141 58.100 0.123 0.000 1.419 239 Y CB 0.450 38.936 38.460 0.043 0.000 1.250 239 Y HN 0.697 nan 8.280 nan 0.000 0.540 240 H N 3.714 122.331 119.070 -0.755 0.000 2.067 240 H HA 0.421 4.977 4.556 -0.000 0.000 0.220 240 H C 0.604 175.598 175.328 -0.556 0.000 0.883 240 H CA 0.741 56.525 56.048 -0.440 0.000 1.042 240 H CB 0.697 30.322 29.762 -0.229 0.000 1.305 240 H HN 0.892 nan 8.280 nan 0.000 0.430 241 G N 0.082 108.169 108.800 -1.187 0.000 2.592 241 G HA2 0.351 4.311 3.960 -0.000 0.000 0.684 241 G HA3 0.351 4.311 3.960 -0.000 0.000 0.684 241 G C 0.115 174.538 174.900 -0.796 0.000 1.291 241 G CA 0.221 44.808 45.100 -0.855 0.000 0.891 241 G HN 1.447 nan 8.290 nan 0.000 0.544 242 G N -0.953 107.588 108.800 -0.431 0.000 2.422 242 G HA2 0.600 4.560 3.960 -0.000 0.000 0.607 242 G HA3 0.600 4.560 3.960 -0.000 0.000 0.607 242 G C -0.524 174.252 174.900 -0.206 0.000 1.270 242 G CA 0.701 45.632 45.100 -0.282 0.000 0.992 242 G HN 2.466 nan 8.290 nan 0.000 0.499 243 E N -1.143 118.981 120.200 -0.127 0.000 2.367 243 E HA 0.734 5.084 4.350 -0.000 0.000 0.273 243 E C -1.159 175.387 176.600 -0.090 0.000 0.903 243 E CA -1.148 55.182 56.400 -0.117 0.000 0.764 243 E CB 2.433 32.077 29.700 -0.093 0.000 1.252 243 E HN 0.747 nan 8.360 nan 0.000 0.446 244 I N 1.302 121.802 120.570 -0.117 0.000 2.498 244 I HA 0.471 4.641 4.170 -0.000 0.000 0.290 244 I C -0.328 175.711 176.117 -0.131 0.000 1.032 244 I CA -0.930 60.309 61.300 -0.102 0.000 1.073 244 I CB 2.090 40.030 38.000 -0.100 0.000 1.251 244 I HN 0.344 nan 8.210 nan 0.000 0.426 245 R N 4.199 124.634 120.500 -0.107 0.000 2.513 245 R HA 0.414 4.754 4.340 -0.000 0.000 0.301 245 R C -0.867 175.385 176.300 -0.080 0.000 0.968 245 R CA -0.697 55.326 56.100 -0.128 0.000 0.872 245 R CB 2.603 32.806 30.300 -0.161 0.000 1.177 245 R HN 0.562 nan 8.270 nan 0.000 0.444 246 E N 3.099 123.254 120.200 -0.075 0.000 2.331 246 E HA 0.078 4.428 4.350 -0.000 0.000 0.243 246 E C -0.792 175.797 176.600 -0.019 0.000 0.925 246 E CA -0.558 55.827 56.400 -0.026 0.000 0.760 246 E CB 1.153 30.854 29.700 0.001 0.000 1.254 246 E HN 0.333 nan 8.360 nan 0.000 0.419 247 Q N 2.318 122.109 119.800 -0.016 0.000 2.300 247 Q HA 0.052 4.392 4.340 -0.000 0.000 0.280 247 Q C 0.019 176.021 176.000 0.004 0.000 1.033 247 Q CA 0.520 56.316 55.803 -0.012 0.000 0.903 247 Q CB 1.082 29.814 28.738 -0.010 0.000 1.195 247 Q HN 0.575 nan 8.270 nan 0.000 0.386 248 N N 0.511 119.215 118.700 0.006 0.000 2.200 248 N HA 0.040 4.780 4.740 -0.000 0.000 0.233 248 N C 0.951 176.469 175.510 0.013 0.000 1.236 248 N CA 1.001 54.059 53.050 0.013 0.000 0.845 248 N CB 0.876 39.375 38.487 0.020 0.000 1.257 248 N HN 0.727 nan 8.380 nan 0.000 0.472 249 G N 1.548 110.356 108.800 0.013 0.000 5.229 249 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.250 249 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.250 249 G C -0.196 174.720 174.900 0.026 0.000 1.380 249 G CA 0.607 45.718 45.100 0.017 0.000 0.933 249 G HN 0.446 nan 8.290 nan 0.000 0.731 250 D N 0.740 121.156 120.400 0.027 0.000 5.948 250 D HA 0.014 4.654 4.640 -0.000 0.000 0.064 250 D C 1.771 178.104 176.300 0.055 0.000 0.899 250 D CA 1.765 55.788 54.000 0.040 0.000 0.626 250 D CB -0.109 40.718 40.800 0.044 0.000 1.295 250 D HN 1.190 nan 8.370 nan 0.000 0.701 251 S N 1.660 117.394 115.700 0.057 0.000 2.406 251 S HA -0.228 4.242 4.470 -0.000 0.000 0.242 251 S C 0.856 175.495 174.600 0.065 0.000 1.079 251 S CA 1.799 60.034 58.200 0.058 0.000 1.133 251 S CB -0.481 62.754 63.200 0.057 0.000 1.005 251 S HN 0.542 nan 8.310 nan 0.000 0.443 252 L N -1.552 119.725 121.223 0.090 0.000 2.327 252 L HA 0.852 5.192 4.340 -0.000 0.000 0.258 252 L C -0.646 176.292 176.870 0.115 0.000 1.024 252 L CA -1.403 53.484 54.840 0.078 0.000 0.825 252 L CB 1.427 43.519 42.059 0.055 0.000 1.386 252 L HN -0.059 nan 8.230 nan 0.000 0.417 253 V N 0.668 120.615 119.914 0.055 0.000 2.465 253 V HA 0.348 4.468 4.120 -0.000 0.000 0.279 253 V C -0.305 175.788 176.094 -0.003 0.000 1.045 253 V CA -0.207 62.124 62.300 0.052 0.000 0.938 253 V CB 0.594 32.417 31.823 0.002 0.000 0.986 253 V HN 0.627 nan 8.190 nan 0.000 0.467 254 H N 3.586 122.628 119.070 -0.047 0.000 2.476 254 H HA 0.703 5.259 4.556 -0.000 0.000 0.328 254 H C -0.140 175.025 175.328 -0.272 0.000 1.073 254 H CA -0.287 55.691 56.048 -0.117 0.000 1.229 254 H CB 1.940 31.697 29.762 -0.008 0.000 1.432 254 H HN 0.746 nan 8.280 nan 0.000 0.477 255 A N 2.522 125.122 122.820 -0.367 0.000 2.398 255 A HA 0.667 4.987 4.320 -0.000 0.000 0.301 255 A C -1.006 176.195 177.584 -0.637 0.000 1.041 255 A CA -0.578 51.220 52.037 -0.399 0.000 0.711 255 A CB 1.332 20.194 19.000 -0.229 0.000 1.240 255 A HN 0.723 nan 8.150 nan 0.000 0.420 256 A N 2.518 124.984 122.820 -0.590 0.000 2.318 256 A HA 0.725 5.044 4.320 -0.000 0.000 0.317 256 A C -0.890 176.399 177.584 -0.492 0.000 1.159 256 A CA -0.375 51.323 52.037 -0.566 0.000 0.799 256 A CB 0.781 19.466 19.000 -0.525 0.000 1.194 256 A HN 1.002 nan 8.150 nan 0.000 0.479 257 L N 3.541 124.378 121.223 -0.642 0.000 2.322 257 L HA 0.789 5.129 4.340 -0.000 0.000 0.281 257 L C -1.357 175.262 176.870 -0.419 0.000 1.014 257 L CA -0.628 53.844 54.840 -0.613 0.000 0.815 257 L CB 1.723 43.227 42.059 -0.925 0.000 1.247 257 L HN 0.531 nan 8.230 nan 0.000 0.421 258 V N 3.285 123.115 119.914 -0.140 0.000 2.969 258 V HA 0.776 4.896 4.120 -0.000 0.000 0.304 258 V C -0.721 175.467 176.094 0.156 0.000 1.192 258 V CA -0.460 61.889 62.300 0.081 0.000 0.962 258 V CB 2.235 34.020 31.823 -0.064 0.000 1.045 258 V HN 0.891 nan 8.190 nan 0.000 0.428 259 A N 2.779 125.786 122.820 0.312 0.000 2.384 259 A HA 0.799 5.119 4.320 -0.000 0.000 0.312 259 A C -0.413 177.139 177.584 -0.052 0.000 1.113 259 A CA -0.641 51.458 52.037 0.103 0.000 0.779 259 A CB 1.429 20.478 19.000 0.081 0.000 1.307 259 A HN 0.850 nan 8.150 nan 0.000 0.436 260 E N 0.284 120.197 120.200 -0.478 0.000 2.414 260 E HA 0.250 4.600 4.350 -0.000 0.000 0.263 260 E C 0.726 177.151 176.600 -0.292 0.000 1.000 260 E CA 0.582 56.638 56.400 -0.573 0.000 0.914 260 E CB 0.452 29.513 29.700 -1.065 0.000 0.948 260 E HN 0.745 nan 8.360 nan 0.000 0.444 261 S N 3.238 118.752 115.700 -0.309 0.000 3.609 261 S HA 0.704 5.174 4.470 -0.000 0.000 0.182 261 S C -0.247 174.216 174.600 -0.228 0.000 0.942 261 S CA -0.114 57.756 58.200 -0.550 0.000 1.310 261 S CB 0.476 62.903 63.200 -1.288 0.000 1.020 261 S HN 0.566 nan 8.310 nan 0.000 0.841 262 A N 0.281 122.980 122.820 -0.203 0.000 2.455 262 A HA 0.851 5.171 4.320 -0.000 0.000 0.300 262 A C -0.351 177.241 177.584 0.014 0.000 1.040 262 A CA -0.433 51.606 52.037 0.003 0.000 0.697 262 A CB 1.126 20.214 19.000 0.147 0.000 1.265 262 A HN 1.370 nan 8.150 nan 0.000 0.407 263 A N 1.776 124.625 122.820 0.048 0.000 2.477 263 A HA 0.489 4.809 4.320 -0.000 0.000 0.246 263 A C 0.415 178.023 177.584 0.039 0.000 1.078 263 A CA -0.108 51.964 52.037 0.058 0.000 0.770 263 A CB -0.233 18.808 19.000 0.068 0.000 1.011 263 A HN 1.278 nan 8.150 nan 0.000 0.494 264 I N 2.237 122.824 120.570 0.029 0.000 2.845 264 I HA 0.214 4.383 4.170 -0.000 0.000 0.296 264 I C 1.449 177.573 176.117 0.012 0.000 1.216 264 I CA 2.234 63.540 61.300 0.009 0.000 1.438 264 I CB 0.430 38.432 38.000 0.002 0.000 1.342 264 I HN 1.191 nan 8.210 nan 0.000 0.577 265 G N 3.970 112.766 108.800 -0.006 0.000 2.399 265 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.216 265 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.216 265 G C 0.438 175.331 174.900 -0.012 0.000 1.096 265 G CA 0.153 45.244 45.100 -0.015 0.000 0.650 265 G HN 1.113 nan 8.290 nan 0.000 0.512 266 S N 1.365 117.070 115.700 0.007 0.000 2.569 266 S HA 0.575 5.045 4.470 -0.000 0.000 0.274 266 S C 1.843 176.446 174.600 0.006 0.000 1.353 266 S CA 0.785 58.992 58.200 0.012 0.000 1.023 266 S CB 1.439 64.658 63.200 0.032 0.000 0.876 266 S HN 1.941 nan 8.310 nan 0.000 0.540 267 A N 1.615 124.435 122.820 -0.000 0.000 1.902 267 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 267 A C 2.184 179.768 177.584 -0.000 0.000 1.181 267 A CA 1.627 53.656 52.037 -0.012 0.000 0.623 267 A CB -1.174 17.815 19.000 -0.019 0.000 0.818 267 A HN 0.992 nan 8.150 nan 0.000 0.443 268 E N -0.402 119.815 120.200 0.028 0.000 2.097 268 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 268 E C 2.302 178.989 176.600 0.146 0.000 1.000 268 E CA 1.136 57.576 56.400 0.067 0.000 0.804 268 E CB -0.259 29.518 29.700 0.129 0.000 0.740 268 E HN 0.611 nan 8.360 nan 0.000 0.454 269 A N 1.703 124.611 122.820 0.147 0.000 1.908 269 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 269 A C 1.821 179.472 177.584 0.112 0.000 1.181 269 A CA 1.620 53.755 52.037 0.165 0.000 0.627 269 A CB -0.593 18.451 19.000 0.072 0.000 0.818 269 A HN 0.243 nan 8.150 nan 0.000 0.445 270 N N 0.520 119.237 118.700 0.029 0.000 2.149 270 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 270 N C 1.884 177.372 175.510 -0.035 0.000 1.019 270 N CA 1.537 54.578 53.050 -0.014 0.000 0.857 270 N CB -0.501 37.957 38.487 -0.048 0.000 0.997 270 N HN 0.520 nan 8.380 nan 0.000 0.426 271 A N 0.723 123.495 122.820 -0.080 0.000 1.898 271 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 271 A C 1.964 179.373 177.584 -0.291 0.000 1.181 271 A CA 0.908 52.825 52.037 -0.200 0.000 0.620 271 A CB -0.801 18.026 19.000 -0.288 0.000 0.819 271 A HN 0.132 nan 8.150 nan 0.000 0.442 272 F N 0.420 120.276 119.950 -0.158 0.000 2.216 272 F HA -0.109 4.418 4.527 -0.000 0.000 0.300 272 F C 2.810 178.552 175.800 -0.096 0.000 1.085 272 F CA 1.538 59.378 58.000 -0.266 0.000 1.326 272 F CB -0.411 38.467 39.000 -0.202 0.000 1.027 272 F HN 0.147 nan 8.300 nan 0.000 0.497 273 S N -0.669 115.128 115.700 0.160 0.000 2.406 273 S HA -0.086 4.384 4.470 -0.000 0.000 0.228 273 S C 2.216 176.938 174.600 0.203 0.000 1.020 273 S CA 0.845 59.159 58.200 0.189 0.000 0.965 273 S CB -0.200 63.063 63.200 0.105 0.000 0.798 273 S HN 0.103 nan 8.310 nan 0.000 0.488 274 V N 1.420 121.381 119.914 0.079 0.000 2.407 274 V HA -0.037 4.083 4.120 -0.000 0.000 0.245 274 V C 2.181 178.325 176.094 0.084 0.000 1.041 274 V CA 1.020 63.358 62.300 0.063 0.000 1.040 274 V CB -0.560 31.250 31.823 -0.021 0.000 0.671 274 V HN 0.368 nan 8.190 nan 0.000 0.455 275 L N 0.542 121.753 121.223 -0.021 0.000 2.043 275 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 275 L C 2.511 179.503 176.870 0.203 0.000 1.075 275 L CA 2.301 57.118 54.840 -0.038 0.000 0.752 275 L CB -0.890 40.939 42.059 -0.384 0.000 0.891 275 L HN 0.447 nan 8.230 nan 0.000 0.432 276 Q N -1.613 118.403 119.800 0.360 0.000 2.170 276 Q HA -0.253 4.087 4.340 -0.000 0.000 0.203 276 Q C 1.811 177.881 176.000 0.116 0.000 0.976 276 Q CA 1.973 58.017 55.803 0.403 0.000 0.858 276 Q CB -0.087 28.899 28.738 0.413 0.000 0.907 276 Q HN 0.688 nan 8.270 nan 0.000 0.433 277 H N -1.306 117.851 119.070 0.145 0.000 2.544 277 H HA 0.058 4.614 4.556 -0.000 0.000 0.269 277 H C 1.849 177.218 175.328 0.069 0.000 0.970 277 H CA 0.771 56.878 56.048 0.099 0.000 1.219 277 H CB 0.551 30.364 29.762 0.085 0.000 1.421 277 H HN 0.031 nan 8.280 nan 0.000 0.555 278 V N 0.244 120.252 119.914 0.158 0.000 2.427 278 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 278 V C 2.014 178.160 176.094 0.087 0.000 1.051 278 V CA 1.513 63.871 62.300 0.096 0.000 1.048 278 V CB -0.299 31.563 31.823 0.066 0.000 0.666 278 V HN 0.328 nan 8.190 nan 0.000 0.456 279 L N -0.473 120.818 121.223 0.113 0.000 2.145 279 L HA 0.463 4.803 4.340 -0.000 0.000 0.201 279 L C 1.041 177.961 176.870 0.082 0.000 1.075 279 L CA 1.145 56.050 54.840 0.108 0.000 0.773 279 L CB -0.167 41.989 42.059 0.162 0.000 0.936 279 L HN 0.489 nan 8.230 nan 0.000 0.451 280 G N -0.531 108.300 108.800 0.053 0.000 2.677 280 G HA2 0.342 4.302 3.960 -0.000 0.000 0.321 280 G HA3 0.342 4.302 3.960 -0.000 0.000 0.321 280 G C -0.741 174.149 174.900 -0.016 0.000 1.449 280 G CA -0.478 44.631 45.100 0.016 0.000 1.064 280 G HN 0.278 nan 8.290 nan 0.000 0.627 281 A N 1.530 124.283 122.820 -0.113 0.000 2.896 281 A HA 0.986 5.306 4.320 -0.000 0.000 0.232 281 A C 1.603 179.199 177.584 0.020 0.000 1.809 281 A CA 0.571 52.556 52.037 -0.087 0.000 0.855 281 A CB -0.370 18.501 19.000 -0.215 0.000 1.773 281 A HN 2.338 nan 8.150 nan 0.000 0.644 282 G N -0.614 108.212 108.800 0.043 0.000 2.750 282 G HA2 0.422 4.382 3.960 -0.000 0.000 0.250 282 G HA3 0.422 4.382 3.960 -0.000 0.000 0.250 282 G C -2.074 172.896 174.900 0.117 0.000 1.230 282 G CA -0.224 44.916 45.100 0.067 0.000 0.883 282 G HN 0.613 nan 8.290 nan 0.000 0.573 283 P HA 0.248 nan 4.420 nan 0.000 0.277 283 P C -0.128 177.315 177.300 0.239 0.000 1.271 283 P CA -0.250 62.902 63.100 0.087 0.000 0.795 283 P CB 1.233 32.925 31.700 -0.013 0.000 1.101 284 H N -1.930 117.122 119.070 -0.031 0.000 2.927 284 H HA 0.231 4.787 4.556 -0.000 0.000 0.255 284 H C -0.141 175.176 175.328 -0.018 0.000 0.974 284 H CA 0.041 56.083 56.048 -0.010 0.000 1.199 284 H CB 1.165 30.930 29.762 0.004 0.000 1.447 284 H HN 0.032 nan 8.280 nan 0.000 0.467 285 V N 2.471 122.439 119.914 0.090 0.000 2.459 285 V HA 0.100 4.220 4.120 -0.000 0.000 0.295 285 V C 0.197 176.290 176.094 -0.002 0.000 1.029 285 V CA -0.937 61.381 62.300 0.030 0.000 0.874 285 V CB 2.293 34.124 31.823 0.013 0.000 0.985 285 V HN 0.126 nan 8.190 nan 0.000 0.438 286 K N 5.284 125.681 120.400 -0.005 0.000 2.361 286 K HA 0.180 4.500 4.320 -0.000 0.000 0.283 286 K C -0.083 176.503 176.600 -0.023 0.000 1.078 286 K CA 0.056 56.335 56.287 -0.014 0.000 1.041 286 K CB -0.163 32.332 32.500 -0.010 0.000 0.932 286 K HN 0.675 nan 8.250 nan 0.000 0.462 287 R N 1.058 121.536 120.500 -0.037 0.000 2.650 287 R HA -0.145 4.194 4.340 -0.000 0.000 0.315 287 R C -0.284 175.981 176.300 -0.059 0.000 0.986 287 R CA 0.449 56.520 56.100 -0.047 0.000 0.744 287 R CB -1.745 28.537 30.300 -0.030 0.000 2.072 287 R HN 0.873 nan 8.270 nan 0.000 0.477 288 G N -0.440 108.303 108.800 -0.096 0.000 2.660 288 G HA2 0.436 4.396 3.960 -0.000 0.000 0.294 288 G HA3 0.436 4.396 3.960 -0.000 0.000 0.294 288 G C 0.595 175.383 174.900 -0.185 0.000 1.369 288 G CA -0.267 44.768 45.100 -0.108 0.000 0.912 288 G HN 0.285 nan 8.290 nan 0.000 0.479 289 S N -0.737 114.876 115.700 -0.145 0.000 2.603 289 S HA -0.045 4.425 4.470 -0.000 0.000 0.229 289 S C 0.795 175.235 174.600 -0.266 0.000 0.972 289 S CA 0.632 58.734 58.200 -0.163 0.000 0.935 289 S CB -0.732 62.443 63.200 -0.041 0.000 0.769 289 S HN 0.878 nan 8.310 nan 0.000 0.536 290 N N 0.874 119.415 118.700 -0.265 0.000 2.714 290 N HA -0.208 4.532 4.740 -0.000 0.000 0.253 290 N C 0.823 176.260 175.510 -0.120 0.000 1.024 290 N CA 0.146 53.046 53.050 -0.250 0.000 0.726 290 N CB -1.403 36.821 38.487 -0.440 0.000 0.908 290 N HN 0.564 nan 8.380 nan 0.000 0.542 291 A N 0.081 122.857 122.820 -0.074 0.000 1.927 291 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 291 A C 2.267 179.843 177.584 -0.013 0.000 1.185 291 A CA 2.242 54.264 52.037 -0.024 0.000 0.639 291 A CB -0.597 18.391 19.000 -0.020 0.000 0.820 291 A HN 0.559 nan 8.150 nan 0.000 0.451 292 T N -0.529 114.001 114.554 -0.041 0.000 3.085 292 T HA 0.070 4.420 4.350 -0.000 0.000 0.263 292 T C 1.102 175.794 174.700 -0.012 0.000 1.127 292 T CA 0.848 62.929 62.100 -0.032 0.000 1.103 292 T CB -0.224 68.607 68.868 -0.062 0.000 0.921 292 T HN 0.390 nan 8.240 nan 0.000 0.510 293 S N 2.335 118.030 115.700 -0.008 0.000 2.423 293 S HA 0.164 4.634 4.470 -0.000 0.000 0.302 293 S C 1.673 176.329 174.600 0.094 0.000 1.143 293 S CA -0.188 58.037 58.200 0.042 0.000 1.080 293 S CB 0.183 63.416 63.200 0.055 0.000 1.081 293 S HN 0.423 nan 8.310 nan 0.000 0.522 294 S N 5.628 121.370 115.700 0.072 0.000 2.423 294 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 294 S C 1.674 176.315 174.600 0.067 0.000 1.014 294 S CA 0.653 58.892 58.200 0.066 0.000 0.965 294 S CB -0.392 62.837 63.200 0.048 0.000 0.785 294 S HN 0.768 nan 8.310 nan 0.000 0.495 295 L N -0.818 120.452 121.223 0.079 0.000 2.072 295 L HA 0.016 4.356 4.340 -0.000 0.000 0.205 295 L C 2.543 179.462 176.870 0.082 0.000 1.079 295 L CA 1.618 56.480 54.840 0.037 0.000 0.752 295 L CB -0.580 41.495 42.059 0.026 0.000 0.906 295 L HN 0.336 nan 8.230 nan 0.000 0.436 296 Y N 0.672 121.020 120.300 0.080 0.000 2.145 296 Y HA -0.327 4.223 4.550 -0.000 0.000 0.286 296 Y C 2.776 178.783 175.900 0.178 0.000 1.145 296 Y CA 1.684 59.892 58.100 0.180 0.000 1.148 296 Y CB -0.036 38.490 38.460 0.111 0.000 0.981 296 Y HN 0.134 nan 8.280 nan 0.000 0.507 297 Q N -0.191 119.785 119.800 0.293 0.000 2.181 297 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 297 Q C 2.348 178.402 176.000 0.090 0.000 0.980 297 Q CA 1.588 57.503 55.803 0.187 0.000 0.862 297 Q CB -0.661 28.151 28.738 0.124 0.000 0.905 297 Q HN 0.561 nan 8.270 nan 0.000 0.429 298 A N -0.911 121.927 122.820 0.031 0.000 1.897 298 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 298 A C 2.226 179.734 177.584 -0.127 0.000 1.181 298 A CA 1.388 53.399 52.037 -0.043 0.000 0.620 298 A CB -0.520 18.445 19.000 -0.058 0.000 0.821 298 A HN 0.221 nan 8.150 nan 0.000 0.443 299 V N -0.091 119.688 119.914 -0.225 0.000 2.323 299 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 299 V C 3.053 178.883 176.094 -0.440 0.000 1.041 299 V CA 1.693 63.697 62.300 -0.493 0.000 1.025 299 V CB -1.292 29.969 31.823 -0.937 0.000 0.656 299 V HN 0.581 nan 8.190 nan 0.000 0.451 300 A N -0.231 122.521 122.820 -0.113 0.000 1.997 300 A HA -0.345 3.975 4.320 -0.000 0.000 0.221 300 A C 2.297 179.909 177.584 0.046 0.000 1.172 300 A CA 2.443 54.571 52.037 0.152 0.000 0.645 300 A CB -0.620 18.580 19.000 0.334 0.000 0.813 300 A HN 0.541 nan 8.150 nan 0.000 0.454 301 K N -1.355 119.051 120.400 0.010 0.000 2.089 301 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 301 K C 1.377 178.003 176.600 0.043 0.000 1.048 301 K CA 1.561 57.870 56.287 0.037 0.000 0.926 301 K CB -0.310 32.193 32.500 0.005 0.000 0.714 301 K HN 0.477 nan 8.250 nan 0.000 0.448 302 G N -0.580 108.141 108.800 -0.131 0.000 3.839 302 G HA2 0.260 4.220 3.960 -0.000 0.000 0.286 302 G HA3 0.260 4.220 3.960 -0.000 0.000 0.286 302 G C -0.993 173.558 174.900 -0.583 0.000 1.005 302 G CA -0.350 44.620 45.100 -0.216 0.000 0.824 302 G HN 0.042 nan 8.290 nan 0.000 0.489 303 V N 2.200 121.687 119.914 -0.713 0.000 2.409 303 V HA 0.365 4.485 4.120 -0.000 0.000 0.290 303 V C -0.653 175.152 176.094 -0.483 0.000 1.017 303 V CA -0.932 60.985 62.300 -0.638 0.000 0.841 303 V CB 1.196 32.695 31.823 -0.540 0.000 1.003 303 V HN 0.395 nan 8.190 nan 0.000 0.426 304 H N 4.938 124.044 119.070 0.060 0.000 2.474 304 H HA 0.464 5.020 4.556 -0.000 0.000 0.250 304 H C -0.163 175.215 175.328 0.084 0.000 1.307 304 H CA -0.352 55.746 56.048 0.083 0.000 1.058 304 H CB 0.640 30.429 29.762 0.045 0.000 1.693 304 H HN 0.737 nan 8.280 nan 0.000 0.552 305 Q N -0.449 119.445 119.800 0.157 0.000 2.648 305 Q HA 0.400 4.740 4.340 -0.000 0.000 0.300 305 Q C -3.201 172.889 176.000 0.151 0.000 0.954 305 Q CA -2.244 53.635 55.803 0.126 0.000 0.757 305 Q CB 0.722 29.510 28.738 0.084 0.000 1.482 305 Q HN -0.064 nan 8.270 nan 0.000 0.437 306 P HA 0.152 nan 4.420 nan 0.000 0.260 306 P C -1.044 176.329 177.300 0.121 0.000 1.185 306 P CA 0.549 63.679 63.100 0.049 0.000 0.763 306 P CB -0.211 31.513 31.700 0.039 0.000 0.776 307 F N 0.400 120.331 119.950 -0.031 0.000 2.686 307 F HA 0.762 5.289 4.527 -0.000 0.000 0.311 307 F C -1.627 174.145 175.800 -0.047 0.000 1.128 307 F CA -1.190 56.761 58.000 -0.082 0.000 0.946 307 F CB 1.629 40.529 39.000 -0.167 0.000 1.336 307 F HN 0.062 nan 8.300 nan 0.000 0.457 308 D N 0.681 121.177 120.400 0.159 0.000 2.645 308 D HA 0.661 5.301 4.640 -0.000 0.000 0.228 308 D C -1.839 174.639 176.300 0.297 0.000 1.148 308 D CA -0.411 53.693 54.000 0.174 0.000 0.860 308 D CB 2.729 43.621 40.800 0.153 0.000 1.548 308 D HN 0.791 nan 8.370 nan 0.000 0.460 309 V N 1.591 121.683 119.914 0.297 0.000 2.752 309 V HA 0.721 4.841 4.120 -0.000 0.000 0.302 309 V C -1.551 174.702 176.094 0.265 0.000 1.133 309 V CA -0.195 62.254 62.300 0.249 0.000 0.919 309 V CB 1.721 33.609 31.823 0.108 0.000 1.026 309 V HN 0.548 nan 8.190 nan 0.000 0.429 310 S N 4.932 120.786 115.700 0.257 0.000 2.569 310 S HA 0.872 5.342 4.470 -0.000 0.000 0.280 310 S C -0.174 174.547 174.600 0.201 0.000 1.111 310 S CA 0.060 58.380 58.200 0.199 0.000 0.887 310 S CB 1.881 65.173 63.200 0.154 0.000 1.095 310 S HN 1.951 nan 8.310 nan 0.000 0.476 311 A N 2.897 125.780 122.820 0.105 0.000 2.520 311 A HA 0.511 4.831 4.320 -0.000 0.000 0.245 311 A C -0.598 176.970 177.584 -0.027 0.000 1.072 311 A CA 0.037 52.063 52.037 -0.018 0.000 0.761 311 A CB -0.449 18.540 19.000 -0.018 0.000 1.004 311 A HN 0.869 nan 8.150 nan 0.000 0.499 312 F N 2.755 122.500 119.950 -0.341 0.000 2.458 312 F HA 0.595 5.122 4.527 -0.000 0.000 0.336 312 F C -0.252 175.341 175.800 -0.345 0.000 1.114 312 F CA -0.777 57.083 58.000 -0.234 0.000 0.987 312 F CB 1.594 40.529 39.000 -0.108 0.000 1.130 312 F HN 0.586 nan 8.300 nan 0.000 0.458 313 N N 4.396 122.690 118.700 -0.676 0.000 2.533 313 N HA 0.632 5.372 4.740 -0.000 0.000 0.289 313 N C -1.926 173.254 175.510 -0.550 0.000 1.103 313 N CA -0.302 52.530 53.050 -0.364 0.000 0.877 313 N CB 1.696 40.184 38.487 0.001 0.000 1.419 313 N HN 0.776 nan 8.380 nan 0.000 0.517 314 A N 2.186 124.728 122.820 -0.463 0.000 2.319 314 A HA 0.721 5.041 4.320 -0.000 0.000 0.310 314 A C -0.743 176.536 177.584 -0.508 0.000 1.152 314 A CA -0.556 51.182 52.037 -0.498 0.000 0.783 314 A CB 1.161 19.991 19.000 -0.284 0.000 1.184 314 A HN 0.447 nan 8.150 nan 0.000 0.474 315 S N 1.131 116.471 115.700 -0.601 0.000 2.502 315 S HA 0.770 5.240 4.470 -0.000 0.000 0.304 315 S C -1.312 172.982 174.600 -0.509 0.000 1.097 315 S CA -0.199 57.735 58.200 -0.443 0.000 1.045 315 S CB 0.348 63.440 63.200 -0.180 0.000 1.019 315 S HN 0.512 nan 8.310 nan 0.000 0.481 316 Y N 0.493 120.818 120.300 0.042 0.000 2.693 316 Y HA 0.342 4.892 4.550 -0.000 0.000 0.331 316 Y C 1.812 177.725 175.900 0.022 0.000 1.092 316 Y CA -0.991 57.125 58.100 0.027 0.000 1.131 316 Y CB 0.504 38.972 38.460 0.013 0.000 1.318 316 Y HN 0.620 nan 8.280 nan 0.000 0.510 317 S N -0.513 115.315 115.700 0.213 0.000 2.399 317 S HA -0.142 4.328 4.470 -0.000 0.000 0.231 317 S C 0.504 175.165 174.600 0.102 0.000 1.022 317 S CA 1.822 60.096 58.200 0.124 0.000 0.983 317 S CB -0.259 63.004 63.200 0.105 0.000 0.803 317 S HN 0.805 nan 8.310 nan 0.000 0.480 318 D N -1.104 119.362 120.400 0.110 0.000 2.530 318 D HA 0.379 5.019 4.640 -0.000 0.000 0.253 318 D C 0.155 176.529 176.300 0.124 0.000 1.338 318 D CA -0.105 53.951 54.000 0.093 0.000 0.806 318 D CB 0.146 40.985 40.800 0.065 0.000 1.160 318 D HN 0.311 nan 8.370 nan 0.000 0.514 319 S N -1.572 114.235 115.700 0.177 0.000 2.727 319 S HA 0.788 5.258 4.470 -0.000 0.000 0.278 319 S C -1.356 173.399 174.600 0.260 0.000 1.186 319 S CA -0.118 58.225 58.200 0.239 0.000 0.836 319 S CB 1.496 64.927 63.200 0.386 0.000 1.186 319 S HN 0.480 nan 8.310 nan 0.000 0.499 320 G N 0.480 109.426 108.800 0.243 0.000 2.673 320 G HA2 0.601 4.561 3.960 -0.000 0.000 0.292 320 G HA3 0.601 4.561 3.960 -0.000 0.000 0.292 320 G C -2.401 172.574 174.900 0.125 0.000 1.450 320 G CA -0.609 44.567 45.100 0.127 0.000 0.837 320 G HN 0.709 nan 8.290 nan 0.000 0.505 321 L N 0.823 122.120 121.223 0.124 0.000 2.376 321 L HA 0.627 4.966 4.340 -0.000 0.000 0.275 321 L C -1.127 175.826 176.870 0.138 0.000 0.987 321 L CA -0.658 54.272 54.840 0.151 0.000 0.828 321 L CB 2.122 44.349 42.059 0.280 0.000 1.249 321 L HN 0.511 nan 8.230 nan 0.000 0.409 322 F N 1.922 121.828 119.950 -0.074 0.000 2.522 322 F HA 0.918 5.445 4.527 -0.000 0.000 0.324 322 F C 0.463 176.267 175.800 0.006 0.000 1.077 322 F CA 0.213 58.183 58.000 -0.051 0.000 0.944 322 F CB 2.042 40.901 39.000 -0.236 0.000 1.175 322 F HN 0.525 nan 8.300 nan 0.000 0.468 323 G N 3.202 111.464 108.800 -0.897 0.000 2.552 323 G HA2 0.331 4.291 3.960 -0.000 0.000 0.137 323 G HA3 0.331 4.291 3.960 -0.000 0.000 0.137 323 G C -1.807 172.706 174.900 -0.645 0.000 1.135 323 G CA -0.130 44.455 45.100 -0.858 0.000 1.047 323 G HN 0.942 nan 8.290 nan 0.000 0.501 324 F N -1.417 118.366 119.950 -0.278 0.000 2.613 324 F HA 0.887 5.414 4.527 -0.000 0.000 0.314 324 F C -1.487 174.308 175.800 -0.009 0.000 1.075 324 F CA -1.992 55.939 58.000 -0.114 0.000 0.945 324 F CB 1.767 40.722 39.000 -0.075 0.000 1.310 324 F HN 0.601 nan 8.300 nan 0.000 0.467 325 Y N 1.030 121.454 120.300 0.206 0.000 2.409 325 Y HA 0.666 5.216 4.550 -0.000 0.000 0.343 325 Y C -0.641 175.372 175.900 0.188 0.000 0.973 325 Y CA -0.526 57.638 58.100 0.107 0.000 1.064 325 Y CB 2.112 40.614 38.460 0.069 0.000 1.207 325 Y HN 0.947 nan 8.280 nan 0.000 0.452 326 T N 4.399 118.987 114.554 0.056 0.000 2.886 326 T HA 0.704 5.054 4.350 -0.000 0.000 0.292 326 T C -1.008 173.668 174.700 -0.040 0.000 1.012 326 T CA -0.683 61.469 62.100 0.087 0.000 0.982 326 T CB 1.222 70.120 68.868 0.050 0.000 1.018 326 T HN 0.510 nan 8.240 nan 0.000 0.451 327 I N 3.167 123.743 120.570 0.011 0.000 2.389 327 I HA 0.615 4.785 4.170 -0.000 0.000 0.288 327 I C 0.030 176.133 176.117 -0.024 0.000 0.999 327 I CA -0.503 60.703 61.300 -0.156 0.000 1.129 327 I CB 1.808 39.694 38.000 -0.191 0.000 1.288 327 I HN 1.026 nan 8.210 nan 0.000 0.444 328 S N 4.738 120.410 115.700 -0.048 0.000 2.588 328 S HA 0.449 4.919 4.470 -0.000 0.000 0.269 328 S C -1.144 173.461 174.600 0.009 0.000 1.157 328 S CA -1.149 57.060 58.200 0.016 0.000 0.824 328 S CB 1.822 65.014 63.200 -0.012 0.000 1.126 328 S HN 0.439 nan 8.310 nan 0.000 0.464 329 Q N 0.814 120.630 119.800 0.025 0.000 2.349 329 Q HA 0.261 4.601 4.340 -0.000 0.000 0.287 329 Q C 1.778 177.790 176.000 0.020 0.000 1.044 329 Q CA 0.616 56.434 55.803 0.025 0.000 0.918 329 Q CB 0.420 29.172 28.738 0.023 0.000 1.242 329 Q HN 0.999 nan 8.270 nan 0.000 0.405 330 A N 3.012 125.854 122.820 0.036 0.000 1.909 330 A HA -0.313 4.007 4.320 -0.000 0.000 0.221 330 A C 1.969 179.606 177.584 0.089 0.000 1.223 330 A CA 2.772 54.844 52.037 0.059 0.000 0.658 330 A CB -0.791 18.254 19.000 0.074 0.000 0.831 330 A HN 0.840 nan 8.150 nan 0.000 0.462 331 A N -1.785 121.064 122.820 0.049 0.000 2.016 331 A HA 0.135 4.455 4.320 -0.000 0.000 0.217 331 A C 2.228 179.764 177.584 -0.081 0.000 1.162 331 A CA 1.639 53.643 52.037 -0.054 0.000 0.662 331 A CB -0.406 18.504 19.000 -0.150 0.000 0.812 331 A HN 0.451 nan 8.150 nan 0.000 0.450 332 S N -0.387 115.282 115.700 -0.051 0.000 2.558 332 S HA 0.273 4.743 4.470 -0.000 0.000 0.217 332 S C 2.063 176.618 174.600 -0.076 0.000 0.975 332 S CA 0.495 58.648 58.200 -0.078 0.000 0.912 332 S CB -0.084 63.068 63.200 -0.081 0.000 0.776 332 S HN 0.729 nan 8.310 nan 0.000 0.526 333 A N 2.069 124.868 122.820 -0.035 0.000 1.869 333 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 333 A C 2.322 179.880 177.584 -0.044 0.000 1.203 333 A CA 2.015 54.028 52.037 -0.039 0.000 0.638 333 A CB -1.572 17.416 19.000 -0.020 0.000 0.831 333 A HN 0.518 nan 8.150 nan 0.000 0.450 334 G N -0.851 107.940 108.800 -0.015 0.000 2.432 334 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 334 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 334 G C 1.119 176.001 174.900 -0.030 0.000 1.135 334 G CA 1.286 46.383 45.100 -0.006 0.000 0.767 334 G HN 0.519 nan 8.290 nan 0.000 0.550 335 D N 0.228 120.586 120.400 -0.070 0.000 2.120 335 D HA -0.051 4.589 4.640 -0.000 0.000 0.202 335 D C 2.810 179.006 176.300 -0.174 0.000 0.972 335 D CA 0.570 54.502 54.000 -0.113 0.000 0.837 335 D CB -0.473 40.244 40.800 -0.140 0.000 0.989 335 D HN 0.178 nan 8.370 nan 0.000 0.469 336 V N 1.489 121.271 119.914 -0.220 0.000 2.332 336 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 336 V C 2.506 178.466 176.094 -0.223 0.000 1.055 336 V CA 1.252 63.362 62.300 -0.316 0.000 1.038 336 V CB -0.409 31.217 31.823 -0.329 0.000 0.651 336 V HN 0.142 nan 8.190 nan 0.000 0.450 337 I N -0.498 120.021 120.570 -0.084 0.000 2.163 337 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 337 I C 2.511 178.666 176.117 0.064 0.000 1.081 337 I CA 1.671 63.005 61.300 0.057 0.000 1.353 337 I CB -0.455 37.617 38.000 0.121 0.000 1.054 337 I HN 0.182 nan 8.210 nan 0.000 0.407 338 K N 0.836 121.265 120.400 0.048 0.000 2.103 338 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 338 K C 2.233 178.844 176.600 0.018 0.000 1.048 338 K CA 1.489 57.832 56.287 0.092 0.000 0.930 338 K CB -0.290 32.244 32.500 0.057 0.000 0.716 338 K HN 0.348 nan 8.250 nan 0.000 0.444 339 A N 1.399 124.161 122.820 -0.097 0.000 1.898 339 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 339 A C 2.368 179.837 177.584 -0.192 0.000 1.181 339 A CA 1.720 53.666 52.037 -0.152 0.000 0.620 339 A CB -0.692 18.169 19.000 -0.231 0.000 0.819 339 A HN 0.318 nan 8.150 nan 0.000 0.442 340 A N -1.324 121.294 122.820 -0.336 0.000 1.858 340 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 340 A C 2.171 179.509 177.584 -0.410 0.000 1.190 340 A CA 1.762 53.439 52.037 -0.599 0.000 0.617 340 A CB -0.935 17.295 19.000 -1.283 0.000 0.827 340 A HN 0.644 nan 8.150 nan 0.000 0.443 341 Y N 1.467 121.582 120.300 -0.308 0.000 2.128 341 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 341 Y C 2.087 178.070 175.900 0.138 0.000 1.154 341 Y CA 1.859 60.079 58.100 0.200 0.000 1.149 341 Y CB -1.001 37.665 38.460 0.342 0.000 0.976 341 Y HN 0.502 nan 8.280 nan 0.000 0.505 342 N N -0.666 118.040 118.700 0.011 0.000 2.223 342 N HA -0.223 4.517 4.740 -0.000 0.000 0.185 342 N C 1.760 177.243 175.510 -0.046 0.000 1.016 342 N CA 0.837 53.834 53.050 -0.088 0.000 0.863 342 N CB -0.208 38.239 38.487 -0.067 0.000 0.983 342 N HN 0.278 nan 8.380 nan 0.000 0.429 343 Q N 1.356 121.138 119.800 -0.029 0.000 2.084 343 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 343 Q C 1.847 177.873 176.000 0.043 0.000 0.978 343 Q CA 1.328 57.124 55.803 -0.013 0.000 0.844 343 Q CB -0.364 28.347 28.738 -0.046 0.000 0.898 343 Q HN 0.171 nan 8.270 nan 0.000 0.426 344 V N 0.774 120.757 119.914 0.114 0.000 2.343 344 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 344 V C 2.241 178.427 176.094 0.154 0.000 1.051 344 V CA 2.115 64.544 62.300 0.214 0.000 1.036 344 V CB -0.537 31.566 31.823 0.468 0.000 0.654 344 V HN 0.349 nan 8.190 nan 0.000 0.451 345 K N 0.417 120.854 120.400 0.062 0.000 2.103 345 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 345 K C 2.264 178.863 176.600 -0.001 0.000 1.048 345 K CA 2.008 58.284 56.287 -0.018 0.000 0.930 345 K CB -0.453 31.959 32.500 -0.147 0.000 0.716 345 K HN 0.753 nan 8.250 nan 0.000 0.444 346 T N -0.649 113.905 114.554 0.000 0.000 2.867 346 T HA -0.066 4.284 4.350 -0.000 0.000 0.268 346 T C 1.872 176.578 174.700 0.010 0.000 1.057 346 T CA 0.875 62.974 62.100 -0.001 0.000 1.136 346 T CB -0.279 68.587 68.868 -0.004 0.000 0.874 346 T HN 0.089 nan 8.240 nan 0.000 0.466 347 I N 1.561 122.147 120.570 0.026 0.000 2.439 347 I HA 0.039 4.209 4.170 -0.000 0.000 0.251 347 I C 3.056 179.183 176.117 0.017 0.000 1.139 347 I CA 0.914 62.228 61.300 0.022 0.000 1.438 347 I CB -0.387 37.634 38.000 0.035 0.000 1.085 347 I HN 0.317 nan 8.210 nan 0.000 0.427 348 A N -0.079 122.762 122.820 0.036 0.000 1.968 348 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 348 A C 2.195 179.785 177.584 0.010 0.000 1.169 348 A CA 1.174 53.229 52.037 0.031 0.000 0.638 348 A CB -0.413 18.624 19.000 0.063 0.000 0.812 348 A HN 0.439 nan 8.150 nan 0.000 0.446 349 Q N -1.855 117.947 119.800 0.004 0.000 2.435 349 Q HA 0.186 4.526 4.340 -0.000 0.000 0.207 349 Q C 1.198 177.195 176.000 -0.006 0.000 0.956 349 Q CA 0.620 56.420 55.803 -0.004 0.000 0.917 349 Q CB 0.096 28.829 28.738 -0.009 0.000 0.997 349 Q HN 0.852 nan 8.270 nan 0.000 0.497 350 G N 0.463 109.259 108.800 -0.006 0.000 2.205 350 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.180 350 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.180 350 G C -0.165 174.731 174.900 -0.008 0.000 1.004 350 G CA -0.564 44.531 45.100 -0.009 0.000 0.670 350 G HN 0.217 nan 8.290 nan 0.000 0.496 351 N N 0.772 119.469 118.700 -0.004 0.000 2.895 351 N HA 0.402 5.142 4.740 -0.000 0.000 0.277 351 N C -0.760 174.750 175.510 -0.001 0.000 1.185 351 N CA 0.475 53.524 53.050 -0.003 0.000 1.106 351 N CB 1.151 39.637 38.487 -0.002 0.000 1.422 351 N HN 0.490 nan 8.380 nan 0.000 0.521 352 L N 0.835 122.056 121.223 -0.004 0.000 2.580 352 L HA 0.220 4.559 4.340 -0.000 0.000 0.266 352 L C -0.059 176.808 176.870 -0.006 0.000 0.955 352 L CA -0.461 54.377 54.840 -0.004 0.000 0.886 352 L CB 1.628 43.681 42.059 -0.009 0.000 1.263 352 L HN 0.217 nan 8.230 nan 0.000 0.406 353 S N 2.878 118.576 115.700 -0.003 0.000 2.632 353 S HA 0.243 4.712 4.470 -0.000 0.000 0.267 353 S C 0.880 175.477 174.600 -0.006 0.000 1.276 353 S CA -0.088 58.110 58.200 -0.004 0.000 0.998 353 S CB 1.063 64.263 63.200 -0.001 0.000 0.953 353 S HN 0.827 nan 8.310 nan 0.000 0.547 354 N N 1.652 120.348 118.700 -0.007 0.000 2.084 354 N HA -0.045 4.695 4.740 -0.000 0.000 0.190 354 N C -1.071 174.435 175.510 -0.006 0.000 1.030 354 N CA 1.501 54.546 53.050 -0.009 0.000 0.849 354 N CB -1.363 37.119 38.487 -0.009 0.000 1.012 354 N HN 0.475 nan 8.380 nan 0.000 0.423 355 P HA -0.030 nan 4.420 nan 0.000 0.220 355 P C 0.591 177.892 177.300 0.002 0.000 1.148 355 P CA 0.990 64.089 63.100 -0.000 0.000 0.803 355 P CB -0.024 31.676 31.700 0.000 0.000 0.782 356 D N -0.935 119.467 120.400 0.003 0.000 2.092 356 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 356 D C 1.957 178.264 176.300 0.011 0.000 0.994 356 D CA 1.109 55.114 54.000 0.008 0.000 0.828 356 D CB -0.845 39.961 40.800 0.009 0.000 0.963 356 D HN -0.047 nan 8.370 nan 0.000 0.450 357 V N 0.300 120.216 119.914 0.003 0.000 2.358 357 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 357 V C 2.393 178.487 176.094 0.000 0.000 1.047 357 V CA 1.323 63.623 62.300 -0.000 0.000 1.035 357 V CB -0.549 31.265 31.823 -0.015 0.000 0.658 357 V HN 0.094 nan 8.190 nan 0.000 0.452 358 Q N 0.550 120.348 119.800 -0.002 0.000 2.112 358 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 358 Q C 2.202 178.204 176.000 0.003 0.000 0.987 358 Q CA 2.278 58.080 55.803 -0.003 0.000 0.858 358 Q CB -0.724 28.013 28.738 -0.003 0.000 0.905 358 Q HN 0.644 nan 8.270 nan 0.000 0.420 359 A N -0.338 122.487 122.820 0.009 0.000 1.898 359 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 359 A C 2.216 179.817 177.584 0.028 0.000 1.181 359 A CA 1.672 53.719 52.037 0.015 0.000 0.620 359 A CB -0.943 18.064 19.000 0.011 0.000 0.819 359 A HN 0.439 nan 8.150 nan 0.000 0.442 360 A N -0.074 122.769 122.820 0.039 0.000 1.898 360 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 360 A C 2.116 179.700 177.584 -0.001 0.000 1.181 360 A CA 1.632 53.714 52.037 0.075 0.000 0.620 360 A CB -0.377 18.681 19.000 0.097 0.000 0.819 360 A HN 0.441 nan 8.150 nan 0.000 0.442 361 K N 0.070 120.461 120.400 -0.014 0.000 2.009 361 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 361 K C 1.737 178.310 176.600 -0.044 0.000 1.049 361 K CA 1.902 58.165 56.287 -0.040 0.000 0.929 361 K CB -0.564 31.920 32.500 -0.027 0.000 0.714 361 K HN 0.683 nan 8.250 nan 0.000 0.440 362 N N 0.781 119.472 118.700 -0.015 0.000 2.166 362 N HA -0.128 4.612 4.740 -0.000 0.000 0.186 362 N C 1.783 177.298 175.510 0.009 0.000 1.019 362 N CA 0.876 53.927 53.050 0.002 0.000 0.856 362 N CB -0.001 38.497 38.487 0.018 0.000 0.993 362 N HN 0.175 nan 8.380 nan 0.000 0.426 363 K N 0.497 120.905 120.400 0.014 0.000 2.057 363 K HA -0.108 4.212 4.320 -0.000 0.000 0.207 363 K C 1.940 178.449 176.600 -0.152 0.000 1.049 363 K CA 0.793 57.122 56.287 0.071 0.000 0.931 363 K CB -0.213 32.418 32.500 0.218 0.000 0.714 363 K HN 0.090 nan 8.250 nan 0.000 0.440 364 L N 2.042 123.017 121.223 -0.414 0.000 2.005 364 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 364 L C 1.896 178.698 176.870 -0.114 0.000 1.072 364 L CA 1.829 56.395 54.840 -0.456 0.000 0.744 364 L CB -0.352 41.468 42.059 -0.399 0.000 0.895 364 L HN 0.001 nan 8.230 nan 0.000 0.433 365 K N -0.543 119.823 120.400 -0.057 0.000 2.009 365 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 365 K C 2.061 178.705 176.600 0.072 0.000 1.049 365 K CA 1.586 57.889 56.287 0.027 0.000 0.929 365 K CB -0.484 32.023 32.500 0.011 0.000 0.714 365 K HN 0.484 nan 8.250 nan 0.000 0.440 366 A N 1.161 124.003 122.820 0.036 0.000 1.877 366 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 366 A C 2.440 180.043 177.584 0.032 0.000 1.186 366 A CA 2.041 54.099 52.037 0.035 0.000 0.620 366 A CB -1.262 17.758 19.000 0.033 0.000 0.822 366 A HN 0.459 nan 8.150 nan 0.000 0.443 367 G N -1.725 107.096 108.800 0.035 0.000 2.418 367 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.217 367 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.217 367 G C 1.558 176.501 174.900 0.072 0.000 1.158 367 G CA 1.322 46.448 45.100 0.044 0.000 0.771 367 G HN 0.580 nan 8.290 nan 0.000 0.545 368 Y N 1.137 121.432 120.300 -0.008 0.000 2.145 368 Y HA -0.036 4.514 4.550 -0.000 0.000 0.286 368 Y C 2.556 178.473 175.900 0.029 0.000 1.145 368 Y CA 1.384 59.489 58.100 0.009 0.000 1.148 368 Y CB -0.396 38.061 38.460 -0.005 0.000 0.981 368 Y HN 0.120 nan 8.280 nan 0.000 0.507 369 L N -0.609 120.569 121.223 -0.076 0.000 2.046 369 L HA -0.282 4.058 4.340 -0.000 0.000 0.208 369 L C 2.587 179.375 176.870 -0.135 0.000 1.077 369 L CA 1.744 56.502 54.840 -0.137 0.000 0.747 369 L CB -0.493 41.567 42.059 0.002 0.000 0.896 369 L HN 0.283 nan 8.230 nan 0.000 0.432 370 M N -1.404 118.149 119.600 -0.078 0.000 2.229 370 M HA -0.194 4.286 4.480 -0.000 0.000 0.264 370 M C 2.541 178.799 176.300 -0.070 0.000 1.063 370 M CA 1.526 56.791 55.300 -0.059 0.000 1.114 370 M CB -0.366 32.210 32.600 -0.040 0.000 1.387 370 M HN 0.228 nan 8.290 nan 0.000 0.420 371 S N 0.372 116.011 115.700 -0.102 0.000 2.419 371 S HA -0.075 4.395 4.470 -0.000 0.000 0.233 371 S C 1.502 176.048 174.600 -0.090 0.000 1.016 371 S CA 1.412 59.561 58.200 -0.086 0.000 0.974 371 S CB -0.230 62.925 63.200 -0.075 0.000 0.786 371 S HN 0.447 nan 8.310 nan 0.000 0.492 372 V N -0.134 119.692 119.914 -0.147 0.000 3.578 372 V HA 0.356 4.476 4.120 -0.000 0.000 0.290 372 V C 1.696 177.822 176.094 0.055 0.000 1.376 372 V CA 0.656 62.953 62.300 -0.005 0.000 1.083 372 V CB -0.436 31.389 31.823 0.004 0.000 0.911 372 V HN 0.618 nan 8.190 nan 0.000 0.433 373 E N 2.580 122.770 120.200 -0.017 0.000 2.204 373 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 373 E C 1.285 177.869 176.600 -0.027 0.000 0.989 373 E CA 1.045 57.425 56.400 -0.033 0.000 0.824 373 E CB -0.183 29.493 29.700 -0.039 0.000 0.756 373 E HN 0.772 nan 8.360 nan 0.000 0.477 374 S N 0.373 116.078 115.700 0.008 0.000 2.672 374 S HA 0.216 4.686 4.470 -0.000 0.000 0.276 374 S C 1.091 175.728 174.600 0.063 0.000 1.207 374 S CA -0.291 57.919 58.200 0.017 0.000 1.002 374 S CB 1.633 64.847 63.200 0.024 0.000 0.998 374 S HN 0.247 nan 8.310 nan 0.000 0.542 375 S N -0.366 115.367 115.700 0.055 0.000 2.453 375 S HA -0.085 4.385 4.470 -0.000 0.000 0.231 375 S C 1.455 176.148 174.600 0.154 0.000 1.005 375 S CA 0.790 59.057 58.200 0.112 0.000 0.949 375 S CB -0.611 62.628 63.200 0.064 0.000 0.774 375 S HN 0.828 nan 8.310 nan 0.000 0.510 376 E N 1.572 121.836 120.200 0.107 0.000 2.072 376 E HA -0.030 4.320 4.350 -0.000 0.000 0.190 376 E C 2.117 178.787 176.600 0.116 0.000 0.982 376 E CA 0.966 57.426 56.400 0.099 0.000 0.803 376 E CB -0.535 29.203 29.700 0.063 0.000 0.755 376 E HN 0.653 nan 8.360 nan 0.000 0.453 377 G N 0.089 108.954 108.800 0.109 0.000 2.430 377 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 377 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 377 G C 1.274 176.242 174.900 0.114 0.000 1.146 377 G CA 0.118 45.273 45.100 0.091 0.000 0.793 377 G HN 0.267 nan 8.290 nan 0.000 0.537 378 F N 1.065 121.015 119.950 0.000 0.000 2.051 378 F HA 0.027 4.554 4.527 -0.000 0.000 0.296 378 F C 2.338 178.151 175.800 0.021 0.000 1.122 378 F CA 1.339 59.337 58.000 -0.002 0.000 1.201 378 F CB -0.393 38.598 39.000 -0.016 0.000 0.978 378 F HN 0.089 nan 8.300 nan 0.000 0.472 379 L N 0.584 121.864 121.223 0.094 0.000 2.079 379 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 379 L C 2.001 178.891 176.870 0.033 0.000 1.081 379 L CA 2.396 57.262 54.840 0.044 0.000 0.752 379 L CB -0.822 41.355 42.059 0.196 0.000 0.896 379 L HN 0.315 nan 8.230 nan 0.000 0.433 380 D N -1.118 119.355 120.400 0.122 0.000 2.178 380 D HA -0.251 4.389 4.640 -0.000 0.000 0.202 380 D C 2.050 178.299 176.300 -0.085 0.000 0.974 380 D CA 1.215 55.325 54.000 0.184 0.000 0.841 380 D CB 0.098 41.015 40.800 0.194 0.000 0.953 380 D HN 0.465 nan 8.370 nan 0.000 0.478 381 E N -0.292 119.835 120.200 -0.122 0.000 2.051 381 E HA -0.076 4.274 4.350 -0.000 0.000 0.189 381 E C 2.039 178.520 176.600 -0.197 0.000 0.979 381 E CA 1.146 57.479 56.400 -0.111 0.000 0.803 381 E CB -0.279 29.390 29.700 -0.051 0.000 0.761 381 E HN 0.176 nan 8.360 nan 0.000 0.451 382 V N 0.641 120.340 119.914 -0.358 0.000 2.407 382 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 382 V C 2.306 178.178 176.094 -0.370 0.000 1.055 382 V CA 1.820 63.925 62.300 -0.324 0.000 1.049 382 V CB -1.194 30.305 31.823 -0.541 0.000 0.662 382 V HN 0.478 nan 8.190 nan 0.000 0.455 383 G N 0.065 108.410 108.800 -0.758 0.000 2.414 383 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 383 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 383 G C 1.792 176.168 174.900 -0.873 0.000 1.188 383 G CA 1.114 45.288 45.100 -1.543 0.000 0.783 383 G HN 0.545 nan 8.290 nan 0.000 0.537 384 S N 0.309 115.684 115.700 -0.541 0.000 2.402 384 S HA -0.101 4.368 4.470 -0.000 0.000 0.229 384 S C 2.249 176.797 174.600 -0.087 0.000 1.021 384 S CA 1.181 59.277 58.200 -0.174 0.000 0.974 384 S CB -0.207 62.968 63.200 -0.043 0.000 0.800 384 S HN 0.486 nan 8.310 nan 0.000 0.484 385 Q N 0.832 120.581 119.800 -0.086 0.000 2.079 385 Q HA -0.022 4.318 4.340 -0.000 0.000 0.200 385 Q C 2.532 178.555 176.000 0.040 0.000 0.974 385 Q CA 1.307 57.105 55.803 -0.009 0.000 0.840 385 Q CB -0.370 28.388 28.738 0.033 0.000 0.898 385 Q HN 0.628 nan 8.270 nan 0.000 0.430 386 A N 0.477 123.322 122.820 0.040 0.000 1.933 386 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 386 A C 1.951 179.584 177.584 0.082 0.000 1.175 386 A CA 1.125 53.241 52.037 0.133 0.000 0.628 386 A CB -0.454 18.575 19.000 0.048 0.000 0.814 386 A HN 0.288 nan 8.150 nan 0.000 0.444 387 L N -1.485 119.753 121.223 0.024 0.000 2.102 387 L HA -0.003 4.337 4.340 -0.000 0.000 0.202 387 L C 3.023 179.931 176.870 0.064 0.000 1.076 387 L CA 0.862 55.734 54.840 0.052 0.000 0.761 387 L CB -0.439 41.660 42.059 0.066 0.000 0.921 387 L HN 0.384 nan 8.230 nan 0.000 0.444 388 A N -0.338 122.513 122.820 0.052 0.000 1.929 388 A HA 0.051 4.371 4.320 -0.000 0.000 0.216 388 A C 2.236 179.847 177.584 0.046 0.000 1.176 388 A CA 1.699 53.769 52.037 0.054 0.000 0.628 388 A CB -0.323 18.703 19.000 0.043 0.000 0.816 388 A HN 0.393 nan 8.150 nan 0.000 0.444 389 A N -2.865 119.980 122.820 0.041 0.000 2.070 389 A HA 0.458 4.778 4.320 -0.000 0.000 0.202 389 A C 1.793 179.409 177.584 0.054 0.000 1.277 389 A CA 1.146 53.200 52.037 0.028 0.000 0.872 389 A CB -0.371 18.623 19.000 -0.010 0.000 0.933 389 A HN 1.853 nan 8.150 nan 0.000 0.475 390 G N -0.465 108.402 108.800 0.112 0.000 2.147 390 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.244 390 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.244 390 G C 0.215 175.254 174.900 0.233 0.000 1.005 390 G CA 1.015 46.238 45.100 0.205 0.000 0.713 390 G HN 1.689 nan 8.290 nan 0.000 0.515 391 S N -1.399 114.330 115.700 0.047 0.000 2.595 391 S HA 0.705 5.175 4.470 -0.000 0.000 0.281 391 S C -1.030 173.340 174.600 -0.383 0.000 1.117 391 S CA -0.659 57.306 58.200 -0.392 0.000 0.873 391 S CB 1.815 64.862 63.200 -0.254 0.000 1.108 391 S HN 1.317 nan 8.310 nan 0.000 0.477 392 Y N 2.127 121.938 120.300 -0.814 0.000 2.331 392 Y HA 0.569 5.119 4.550 -0.000 0.000 0.338 392 Y C -0.465 175.291 175.900 -0.240 0.000 0.976 392 Y CA -0.312 57.579 58.100 -0.349 0.000 1.137 392 Y CB 1.464 39.812 38.460 -0.187 0.000 1.172 392 Y HN 0.651 nan 8.280 nan 0.000 0.478 393 T N 9.546 123.618 114.554 -0.803 0.000 2.801 393 T HA 0.322 4.672 4.350 -0.000 0.000 0.306 393 T C -2.694 171.463 174.700 -0.905 0.000 1.020 393 T CA -1.455 60.256 62.100 -0.648 0.000 0.948 393 T CB 0.820 69.476 68.868 -0.354 0.000 0.962 393 T HN 0.448 nan 8.240 nan 0.000 0.465 394 P HA 0.126 nan 4.420 nan 0.000 0.270 394 P C -1.827 175.416 177.300 -0.095 0.000 1.223 394 P CA -1.397 61.476 63.100 -0.378 0.000 0.785 394 P CB 0.367 32.014 31.700 -0.089 0.000 0.923 395 P HA -0.197 nan 4.420 nan 0.000 0.216 395 P C 1.767 179.123 177.300 0.094 0.000 1.150 395 P CA 1.594 64.831 63.100 0.227 0.000 0.843 395 P CB -0.251 31.601 31.700 0.253 0.000 0.787 396 S N -0.624 115.108 115.700 0.054 0.000 2.387 396 S HA -0.180 4.290 4.470 -0.000 0.000 0.230 396 S C 2.055 176.645 174.600 -0.016 0.000 1.035 396 S CA 2.446 60.659 58.200 0.022 0.000 1.014 396 S CB -1.134 62.079 63.200 0.021 0.000 0.836 396 S HN 0.405 nan 8.310 nan 0.000 0.466 397 T N -1.132 113.392 114.554 -0.050 0.000 3.037 397 T HA 0.171 4.521 4.350 -0.000 0.000 0.252 397 T C 1.660 176.296 174.700 -0.107 0.000 1.073 397 T CA 0.806 62.859 62.100 -0.078 0.000 1.091 397 T CB -0.216 68.595 68.868 -0.095 0.000 0.935 397 T HN 0.176 nan 8.240 nan 0.000 0.488 398 V N 2.155 121.991 119.914 -0.131 0.000 2.343 398 V HA -0.051 4.069 4.120 -0.000 0.000 0.247 398 V C 2.750 178.745 176.094 -0.165 0.000 1.051 398 V CA 1.692 63.863 62.300 -0.214 0.000 1.036 398 V CB -0.751 30.835 31.823 -0.394 0.000 0.654 398 V HN 0.489 nan 8.190 nan 0.000 0.451 399 L N -0.320 120.853 121.223 -0.084 0.000 2.083 399 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 399 L C 2.616 179.455 176.870 -0.052 0.000 1.083 399 L CA 1.892 56.704 54.840 -0.047 0.000 0.752 399 L CB -0.701 41.359 42.059 0.002 0.000 0.899 399 L HN 0.410 nan 8.230 nan 0.000 0.433 400 Q N 0.138 119.906 119.800 -0.053 0.000 2.079 400 Q HA -0.267 4.073 4.340 -0.000 0.000 0.200 400 Q C 2.265 178.228 176.000 -0.062 0.000 0.974 400 Q CA 1.570 57.343 55.803 -0.050 0.000 0.840 400 Q CB 0.074 28.783 28.738 -0.047 0.000 0.898 400 Q HN 0.452 nan 8.270 nan 0.000 0.430 401 Q N 0.276 120.027 119.800 -0.082 0.000 2.030 401 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 401 Q C 1.956 177.907 176.000 -0.081 0.000 0.986 401 Q CA 2.022 57.772 55.803 -0.088 0.000 0.843 401 Q CB -0.109 28.559 28.738 -0.117 0.000 0.904 401 Q HN 0.444 nan 8.270 nan 0.000 0.420 402 I N 0.617 121.133 120.570 -0.090 0.000 2.208 402 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 402 I C 1.665 177.746 176.117 -0.061 0.000 1.097 402 I CA 1.214 62.466 61.300 -0.080 0.000 1.363 402 I CB -0.204 37.743 38.000 -0.088 0.000 1.051 402 I HN 0.217 nan 8.210 nan 0.000 0.413 403 D N 0.679 121.047 120.400 -0.053 0.000 2.218 403 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 403 D C 2.181 178.457 176.300 -0.041 0.000 0.976 403 D CA 1.410 55.385 54.000 -0.041 0.000 0.853 403 D CB 0.008 40.788 40.800 -0.034 0.000 0.939 403 D HN 0.384 nan 8.370 nan 0.000 0.481 404 A N 0.483 123.276 122.820 -0.046 0.000 2.119 404 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 404 A C 1.207 178.763 177.584 -0.047 0.000 1.152 404 A CA 0.081 52.092 52.037 -0.043 0.000 0.708 404 A CB 0.002 18.976 19.000 -0.044 0.000 0.805 404 A HN 0.037 nan 8.150 nan 0.000 0.460 405 V N 1.364 121.246 119.914 -0.053 0.000 2.458 405 V HA 0.319 4.439 4.120 -0.000 0.000 0.287 405 V C 0.849 176.910 176.094 -0.055 0.000 1.009 405 V CA 0.018 62.282 62.300 -0.061 0.000 1.091 405 V CB -0.231 31.551 31.823 -0.069 0.000 0.960 405 V HN 0.504 nan 8.190 nan 0.000 0.476 406 A N 3.702 126.489 122.820 -0.056 0.000 2.279 406 A HA 0.432 4.752 4.320 -0.000 0.000 0.303 406 A C 0.996 178.545 177.584 -0.058 0.000 1.108 406 A CA -0.499 51.509 52.037 -0.050 0.000 0.830 406 A CB 0.317 19.291 19.000 -0.043 0.000 1.106 406 A HN 0.834 nan 8.150 nan 0.000 0.493 407 D N 1.132 121.503 120.400 -0.048 0.000 2.149 407 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 407 D C 1.998 178.263 176.300 -0.059 0.000 1.001 407 D CA 2.439 56.410 54.000 -0.049 0.000 0.849 407 D CB -0.145 40.634 40.800 -0.035 0.000 0.939 407 D HN 0.645 nan 8.370 nan 0.000 0.449 408 A N 0.583 123.371 122.820 -0.054 0.000 2.015 408 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 408 A C 1.659 179.195 177.584 -0.079 0.000 1.163 408 A CA 1.483 53.486 52.037 -0.057 0.000 0.646 408 A CB -0.226 18.747 19.000 -0.044 0.000 0.806 408 A HN 0.120 nan 8.150 nan 0.000 0.448 409 D N -0.116 120.228 120.400 -0.094 0.000 2.123 409 D HA -0.079 4.561 4.640 -0.000 0.000 0.200 409 D C 2.063 178.242 176.300 -0.202 0.000 0.976 409 D CA 1.393 55.313 54.000 -0.132 0.000 0.831 409 D CB -0.386 40.340 40.800 -0.123 0.000 0.974 409 D HN 0.249 nan 8.370 nan 0.000 0.469 410 V N 1.576 121.381 119.914 -0.182 0.000 2.343 410 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 410 V C 2.563 178.535 176.094 -0.203 0.000 1.051 410 V CA 1.084 63.252 62.300 -0.220 0.000 1.036 410 V CB -0.378 31.362 31.823 -0.137 0.000 0.654 410 V HN 0.117 nan 8.190 nan 0.000 0.451 411 I N 0.530 121.022 120.570 -0.131 0.000 2.179 411 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 411 I C 2.292 178.346 176.117 -0.105 0.000 1.088 411 I CA 1.542 62.787 61.300 -0.092 0.000 1.357 411 I CB -0.459 37.507 38.000 -0.057 0.000 1.051 411 I HN 0.329 nan 8.210 nan 0.000 0.409 412 N N 0.804 119.427 118.700 -0.129 0.000 2.289 412 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 412 N C 1.777 177.176 175.510 -0.185 0.000 1.016 412 N CA 1.376 54.355 53.050 -0.120 0.000 0.872 412 N CB -0.351 38.074 38.487 -0.105 0.000 0.973 412 N HN 0.386 nan 8.380 nan 0.000 0.433 413 A N 0.657 123.239 122.820 -0.396 0.000 1.897 413 A HA 0.134 4.454 4.320 -0.000 0.000 0.215 413 A C 2.298 179.684 177.584 -0.330 0.000 1.181 413 A CA 1.603 53.149 52.037 -0.819 0.000 0.620 413 A CB -0.785 17.284 19.000 -1.551 0.000 0.821 413 A HN 0.274 nan 8.150 nan 0.000 0.443 414 A N -0.433 122.277 122.820 -0.184 0.000 1.972 414 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 414 A C 2.118 179.811 177.584 0.182 0.000 1.169 414 A CA 1.739 53.817 52.037 0.069 0.000 0.635 414 A CB -0.377 18.649 19.000 0.044 0.000 0.810 414 A HN 0.485 nan 8.150 nan 0.000 0.446 415 K N -0.490 119.957 120.400 0.078 0.000 2.097 415 K HA -0.128 4.191 4.320 -0.000 0.000 0.205 415 K C 2.163 178.837 176.600 0.123 0.000 1.050 415 K CA 1.539 57.875 56.287 0.082 0.000 0.938 415 K CB -0.115 32.401 32.500 0.027 0.000 0.718 415 K HN 0.487 nan 8.250 nan 0.000 0.442 416 K N 0.079 120.573 120.400 0.156 0.000 2.097 416 K HA -0.147 4.173 4.320 -0.000 0.000 0.205 416 K C 1.968 178.734 176.600 0.276 0.000 1.050 416 K CA 1.058 57.469 56.287 0.206 0.000 0.938 416 K CB -0.111 32.559 32.500 0.283 0.000 0.718 416 K HN 0.046 nan 8.250 nan 0.000 0.442 417 F N 0.625 120.722 119.950 0.245 0.000 2.128 417 F HA -0.132 4.395 4.527 -0.000 0.000 0.295 417 F C 1.665 177.614 175.800 0.248 0.000 1.100 417 F CA 0.993 59.160 58.000 0.278 0.000 1.260 417 F CB -0.361 38.900 39.000 0.435 0.000 1.009 417 F HN -0.238 nan 8.300 nan 0.000 0.476 418 V N 0.543 120.553 119.914 0.160 0.000 2.332 418 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 418 V C 2.476 178.564 176.094 -0.011 0.000 1.055 418 V CA 2.247 64.579 62.300 0.053 0.000 1.038 418 V CB -1.045 30.855 31.823 0.128 0.000 0.651 418 V HN 0.611 nan 8.190 nan 0.000 0.450 419 S N -0.538 115.173 115.700 0.017 0.000 2.575 419 S HA 0.245 4.715 4.470 -0.000 0.000 0.215 419 S C 0.894 175.489 174.600 -0.009 0.000 0.966 419 S CA 0.272 58.477 58.200 0.010 0.000 0.911 419 S CB 0.088 63.304 63.200 0.027 0.000 0.780 419 S HN 0.530 nan 8.310 nan 0.000 0.514 420 G N 1.081 109.858 108.800 -0.039 0.000 2.389 420 G HA2 0.492 4.452 3.960 -0.000 0.000 0.328 420 G HA3 0.492 4.452 3.960 -0.000 0.000 0.328 420 G C -0.656 174.205 174.900 -0.064 0.000 1.133 420 G CA -1.233 43.842 45.100 -0.043 0.000 0.891 420 G HN 0.398 nan 8.290 nan 0.000 0.485 421 R N 1.688 122.184 120.500 -0.007 0.000 2.483 421 R HA 0.048 4.388 4.340 -0.000 0.000 0.329 421 R C 0.204 176.528 176.300 0.040 0.000 0.961 421 R CA -0.185 55.928 56.100 0.021 0.000 1.041 421 R CB 0.226 30.571 30.300 0.076 0.000 0.930 421 R HN 0.212 nan 8.270 nan 0.000 0.413 422 K N 1.938 122.299 120.400 -0.064 0.000 2.230 422 K HA 0.145 4.465 4.320 -0.000 0.000 0.253 422 K C -0.330 176.218 176.600 -0.087 0.000 1.008 422 K CA -0.013 56.209 56.287 -0.109 0.000 0.910 422 K CB 1.153 33.523 32.500 -0.217 0.000 0.994 422 K HN 0.522 nan 8.250 nan 0.000 0.495 423 S N 0.615 116.250 115.700 -0.109 0.000 2.547 423 S HA 0.578 5.048 4.470 -0.000 0.000 0.281 423 S C -0.949 173.526 174.600 -0.208 0.000 1.118 423 S CA -0.750 57.343 58.200 -0.179 0.000 0.947 423 S CB 1.537 64.625 63.200 -0.186 0.000 1.053 423 S HN 0.565 nan 8.310 nan 0.000 0.482 424 M N 3.220 122.688 119.600 -0.219 0.000 2.271 424 M HA 0.727 5.207 4.480 -0.000 0.000 0.285 424 M C -1.706 174.460 176.300 -0.223 0.000 1.059 424 M CA -0.443 54.712 55.300 -0.240 0.000 0.940 424 M CB 1.495 33.954 32.600 -0.234 0.000 1.636 424 M HN 0.754 nan 8.290 nan 0.000 0.460 425 A N 3.465 126.139 122.820 -0.243 0.000 2.355 425 A HA 1.046 5.366 4.320 -0.000 0.000 0.324 425 A C -1.307 176.135 177.584 -0.237 0.000 1.117 425 A CA -0.328 51.578 52.037 -0.217 0.000 0.785 425 A CB 1.627 20.513 19.000 -0.191 0.000 1.254 425 A HN 1.165 nan 8.150 nan 0.000 0.453 426 A N 0.695 123.395 122.820 -0.200 0.000 2.589 426 A HA 0.822 5.142 4.320 -0.000 0.000 0.296 426 A C -0.597 176.916 177.584 -0.118 0.000 1.062 426 A CA 0.153 52.085 52.037 -0.175 0.000 0.686 426 A CB 1.142 20.022 19.000 -0.200 0.000 1.282 426 A HN 2.308 nan 8.150 nan 0.000 0.404 427 S N 0.405 116.071 115.700 -0.057 0.000 2.572 427 S HA 0.947 5.417 4.470 -0.000 0.000 0.274 427 S C -0.076 174.539 174.600 0.024 0.000 1.150 427 S CA 0.165 58.354 58.200 -0.018 0.000 0.944 427 S CB 1.189 64.390 63.200 0.002 0.000 1.071 427 S HN 2.792 nan 8.310 nan 0.000 0.479 428 G N 2.051 110.858 108.800 0.012 0.000 2.373 428 G HA2 0.114 4.074 3.960 -0.000 0.000 0.250 428 G HA3 0.114 4.074 3.960 -0.000 0.000 0.250 428 G C -1.687 173.216 174.900 0.005 0.000 1.304 428 G CA -0.919 44.198 45.100 0.029 0.000 0.948 428 G HN 0.785 nan 8.290 nan 0.000 0.474 429 N N 1.498 120.205 118.700 0.011 0.000 2.402 429 N HA 0.253 4.993 4.740 -0.000 0.000 0.259 429 N C 1.370 176.866 175.510 -0.024 0.000 1.167 429 N CA -0.138 52.911 53.050 -0.002 0.000 0.949 429 N CB 0.448 38.946 38.487 0.018 0.000 1.212 429 N HN 0.430 nan 8.380 nan 0.000 0.493 430 L N 2.213 123.401 121.223 -0.058 0.000 2.599 430 L HA 0.141 4.481 4.340 -0.000 0.000 0.230 430 L C 2.240 179.033 176.870 -0.129 0.000 1.141 430 L CA -0.031 54.748 54.840 -0.102 0.000 0.877 430 L CB -0.227 41.745 42.059 -0.145 0.000 1.009 430 L HN 0.514 nan 8.230 nan 0.000 0.447 431 G N 0.386 109.098 108.800 -0.147 0.000 2.606 431 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.221 431 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.221 431 G C 0.821 175.428 174.900 -0.488 0.000 1.152 431 G CA 1.072 45.985 45.100 -0.311 0.000 0.765 431 G HN 0.560 nan 8.290 nan 0.000 0.595 432 H N -0.825 118.233 119.070 -0.020 0.000 2.469 432 H HA 0.389 4.945 4.556 -0.000 0.000 0.286 432 H C -0.259 175.045 175.328 -0.039 0.000 1.106 432 H CA -0.185 55.852 56.048 -0.018 0.000 1.055 432 H CB 0.557 30.310 29.762 -0.015 0.000 1.618 432 H HN 0.075 nan 8.280 nan 0.000 0.559 433 T N 3.794 118.329 114.554 -0.031 0.000 2.749 433 T HA 0.205 4.555 4.350 -0.000 0.000 0.287 433 T C -2.065 172.558 174.700 -0.128 0.000 0.970 433 T CA -1.514 60.534 62.100 -0.086 0.000 0.980 433 T CB 1.805 70.586 68.868 -0.145 0.000 0.924 433 T HN 0.177 nan 8.240 nan 0.000 0.456 434 P HA 0.274 nan 4.420 nan 0.000 0.288 434 P C -0.342 176.905 177.300 -0.089 0.000 1.291 434 P CA -0.312 62.788 63.100 0.000 0.000 0.766 434 P CB 0.675 32.398 31.700 0.038 0.000 1.242 435 F N -1.974 117.947 119.950 -0.048 0.000 2.837 435 F HA 0.280 4.807 4.527 -0.000 0.000 0.328 435 F C 1.399 177.152 175.800 -0.078 0.000 1.173 435 F CA -0.027 57.936 58.000 -0.063 0.000 1.160 435 F CB -0.147 38.824 39.000 -0.049 0.000 1.115 435 F HN 0.149 nan 8.300 nan 0.000 0.512 436 I N -1.544 119.067 120.570 0.068 0.000 4.781 436 I HA -0.559 3.611 4.170 -0.000 0.000 0.042 436 I C 1.900 178.037 176.117 0.033 0.000 0.631 436 I CA 1.611 62.906 61.300 -0.008 0.000 0.598 436 I CB -0.995 36.980 38.000 -0.041 0.000 0.578 436 I HN 0.024 nan 8.210 nan 0.000 0.154 437 D N 1.054 121.485 120.400 0.052 0.000 3.048 437 D HA -0.245 4.395 4.640 -0.000 0.000 0.192 437 D C 1.298 177.626 176.300 0.047 0.000 1.125 437 D CA 2.572 56.591 54.000 0.031 0.000 0.878 437 D CB -0.250 40.550 40.800 0.000 0.000 0.924 437 D HN 0.748 nan 8.370 nan 0.000 0.496 438 E N -0.595 119.656 120.200 0.084 0.000 2.411 438 E HA 0.277 4.627 4.350 -0.000 0.000 0.204 438 E C 0.216 176.874 176.600 0.098 0.000 1.059 438 E CA -0.297 56.154 56.400 0.085 0.000 1.112 438 E CB 0.590 30.353 29.700 0.105 0.000 1.168 438 E HN 0.276 nan 8.360 nan 0.000 0.445 439 L N 0.000 121.288 121.223 0.109 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.950 54.840 0.183 0.000 0.813 439 L CB 0.000 42.100 42.059 0.068 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502