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 2ix6_1_F DATA FIRST_RESID 17 DATA SEQUENCE KSSYFDLPPM EMSVAFPQAT PASTFPPCTS DYYHFNDLLT PEEQAIRKKV DATA SEQUENCE RECMEKEVAP IMTEYWEKAE FPFHITPKLG AMGVAGGSIK GYGCPGLSIT DATA SEQUENCE ANAIATAEIA RVDASCSTFI LVHSSLGMLT IALCGSEAQK EKYLPSLAQL DATA SEQUENCE NTVACWALTE PDNGSDASGL GTTATKVEGG WKINGQKRWI GNSTFADLLI DATA SEQUENCE IFARNTTTNQ INGFIVKKDA PGLKATKIPN KIGLRMVQNG DILLQNVFVP DATA SEQUENCE DEDRLPGVNS FQDTSKVLAV SRVMVAWQPI GISMGIYDMC HRYLKERKQF DATA SEQUENCE GAPLAAFQLN QQKLVQMLGN VQAMFLMGWR LCKLYETGQM TPGQASLGKA DATA SEQUENCE WISSKARETA SLGRELLGGN GILADFLVAK AFCDLEPIYT YEGTYDINTL DATA SEQUENCE VTGREVTGIA SFKPATR 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 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.412 176.600 -0.314 0.000 0.988 17 K CA 0.000 56.054 56.287 -0.388 0.000 0.838 17 K CB 0.000 32.402 32.500 -0.164 0.000 1.064 18 S N -0.508 115.065 115.700 -0.212 0.000 2.587 18 S HA 0.295 4.765 4.470 -0.000 0.000 0.269 18 S C 0.243 174.691 174.600 -0.254 0.000 1.154 18 S CA -0.059 57.943 58.200 -0.331 0.000 0.824 18 S CB 1.445 64.274 63.200 -0.619 0.000 1.118 18 S HN 0.952 nan 8.310 nan 0.000 0.462 19 S N 1.181 116.675 115.700 -0.343 0.000 2.474 19 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 19 S C 1.108 175.688 174.600 -0.033 0.000 0.997 19 S CA 1.400 59.516 58.200 -0.140 0.000 0.949 19 S CB -0.712 62.449 63.200 -0.065 0.000 0.766 19 S HN 0.971 nan 8.310 nan 0.000 0.517 20 Y N -2.274 118.085 120.300 0.097 0.000 2.500 20 Y HA 0.553 5.103 4.550 -0.000 0.000 0.246 20 Y C 1.343 177.318 175.900 0.125 0.000 1.146 20 Y CA -1.738 56.415 58.100 0.088 0.000 1.230 20 Y CB -0.716 37.785 38.460 0.068 0.000 1.214 20 Y HN 0.151 nan 8.280 nan 0.000 0.526 21 F N 2.248 122.199 119.950 0.002 0.000 2.206 21 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 21 F C 1.448 177.276 175.800 0.045 0.000 1.090 21 F CA 1.558 59.582 58.000 0.040 0.000 1.323 21 F CB 0.009 38.983 39.000 -0.042 0.000 1.028 21 F HN 0.035 nan 8.300 nan 0.000 0.492 22 D N 0.443 120.851 120.400 0.013 0.000 2.289 22 D HA 0.026 4.666 4.640 -0.000 0.000 0.207 22 D C 0.807 177.071 176.300 -0.060 0.000 0.966 22 D CA 0.296 54.255 54.000 -0.070 0.000 0.868 22 D CB -0.075 40.734 40.800 0.015 0.000 0.943 22 D HN 0.190 nan 8.370 nan 0.000 0.514 23 L N 2.278 123.500 121.223 -0.002 0.000 2.525 23 L HA 0.044 4.384 4.340 -0.000 0.000 0.278 23 L C -1.778 175.079 176.870 -0.021 0.000 1.218 23 L CA -1.140 53.707 54.840 0.011 0.000 0.878 23 L CB -0.071 42.025 42.059 0.061 0.000 1.127 23 L HN -0.174 nan 8.230 nan 0.000 0.492 24 P HA 0.117 nan 4.420 nan 0.000 0.267 24 P C -2.319 174.972 177.300 -0.015 0.000 1.200 24 P CA -0.813 62.272 63.100 -0.024 0.000 0.772 24 P CB -0.258 31.433 31.700 -0.015 0.000 0.855 25 P HA 0.026 nan 4.420 nan 0.000 0.266 25 P C -0.082 177.222 177.300 0.006 0.000 1.186 25 P CA 0.168 63.265 63.100 -0.006 0.000 0.767 25 P CB 0.270 31.968 31.700 -0.005 0.000 0.820 26 M N 2.509 122.118 119.600 0.016 0.000 2.239 26 M HA 0.019 4.499 4.480 -0.000 0.000 0.348 26 M C 0.468 176.786 176.300 0.029 0.000 1.239 26 M CA 0.076 55.389 55.300 0.023 0.000 1.114 26 M CB 0.317 32.935 32.600 0.029 0.000 1.641 26 M HN 0.303 nan 8.290 nan 0.000 0.453 27 E N 4.256 124.471 120.200 0.025 0.000 2.442 27 E HA -0.064 4.286 4.350 -0.000 0.000 0.262 27 E C 0.750 177.377 176.600 0.045 0.000 1.004 27 E CA 0.046 56.461 56.400 0.025 0.000 0.928 27 E CB 0.670 30.381 29.700 0.018 0.000 0.937 27 E HN 0.780 nan 8.360 nan 0.000 0.446 28 M N 1.572 121.198 119.600 0.043 0.000 2.358 28 M HA -0.150 4.329 4.480 -0.000 0.000 0.264 28 M C 2.096 178.454 176.300 0.097 0.000 1.064 28 M CA 1.123 56.469 55.300 0.077 0.000 1.093 28 M CB -0.883 31.727 32.600 0.017 0.000 1.401 28 M HN 0.410 nan 8.290 nan 0.000 0.440 29 S N -0.317 115.417 115.700 0.055 0.000 2.402 29 S HA -0.056 4.414 4.470 -0.000 0.000 0.229 29 S C 1.761 176.384 174.600 0.038 0.000 1.021 29 S CA 1.091 59.317 58.200 0.044 0.000 0.974 29 S CB 0.158 63.372 63.200 0.023 0.000 0.800 29 S HN 0.311 nan 8.310 nan 0.000 0.484 30 V N 1.011 120.949 119.914 0.041 0.000 2.795 30 V HA 0.281 4.400 4.120 -0.000 0.000 0.243 30 V C 2.696 178.817 176.094 0.045 0.000 1.069 30 V CA 0.987 63.303 62.300 0.027 0.000 1.089 30 V CB -0.865 30.968 31.823 0.018 0.000 0.756 30 V HN 0.493 nan 8.190 nan 0.000 0.471 31 A N -0.913 121.959 122.820 0.086 0.000 1.930 31 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 31 A C 1.096 178.817 177.584 0.228 0.000 1.175 31 A CA 1.478 53.593 52.037 0.130 0.000 0.627 31 A CB -0.208 18.875 19.000 0.138 0.000 0.815 31 A HN 0.489 nan 8.150 nan 0.000 0.443 32 F N -1.039 118.950 119.950 0.065 0.000 3.228 32 F HA 0.410 4.937 4.527 -0.000 0.000 0.390 32 F C -2.569 173.274 175.800 0.071 0.000 1.235 32 F CA -1.686 56.361 58.000 0.079 0.000 1.236 32 F CB 1.657 40.750 39.000 0.156 0.000 1.855 32 F HN -0.043 nan 8.300 nan 0.000 0.647 33 P HA -0.073 nan 4.420 nan 0.000 0.222 33 P C 1.266 178.498 177.300 -0.114 0.000 1.153 33 P CA 1.025 64.081 63.100 -0.073 0.000 0.798 33 P CB 0.239 31.877 31.700 -0.104 0.000 0.796 34 Q N -0.585 119.014 119.800 -0.335 0.000 2.226 34 Q HA -0.010 4.329 4.340 -0.000 0.000 0.204 34 Q C 0.680 176.628 176.000 -0.087 0.000 0.975 34 Q CA 0.868 56.504 55.803 -0.280 0.000 0.866 34 Q CB -0.190 28.260 28.738 -0.480 0.000 0.915 34 Q HN 0.190 nan 8.270 nan 0.000 0.440 35 A N 0.135 123.045 122.820 0.150 0.000 2.380 35 A HA 0.517 4.837 4.320 -0.000 0.000 0.315 35 A C -0.671 177.102 177.584 0.314 0.000 1.101 35 A CA -0.581 51.587 52.037 0.218 0.000 0.771 35 A CB 1.649 20.771 19.000 0.203 0.000 1.287 35 A HN -0.042 nan 8.150 nan 0.000 0.436 36 T N 4.440 119.126 114.554 0.220 0.000 2.771 36 T HA 0.528 4.877 4.350 -0.000 0.000 0.291 36 T C -2.243 172.515 174.700 0.097 0.000 0.954 36 T CA -0.741 61.438 62.100 0.131 0.000 1.045 36 T CB 0.923 69.829 68.868 0.063 0.000 0.917 36 T HN 0.578 nan 8.240 nan 0.000 0.484 37 P HA 0.216 nan 4.420 nan 0.000 0.275 37 P C 0.470 177.622 177.300 -0.246 0.000 1.270 37 P CA -0.409 62.386 63.100 -0.508 0.000 0.791 37 P CB 0.596 31.984 31.700 -0.521 0.000 1.089 38 A N 0.166 122.828 122.820 -0.264 0.000 2.168 38 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 38 A C 2.236 179.832 177.584 0.020 0.000 1.152 38 A CA 1.207 53.177 52.037 -0.112 0.000 0.716 38 A CB -1.494 17.466 19.000 -0.067 0.000 0.794 38 A HN 0.514 nan 8.150 nan 0.000 0.465 39 S N 0.130 115.809 115.700 -0.034 0.000 2.372 39 S HA -0.118 4.352 4.470 -0.000 0.000 0.227 39 S C 0.969 175.607 174.600 0.063 0.000 1.044 39 S CA 1.673 59.882 58.200 0.016 0.000 1.050 39 S CB -0.448 62.739 63.200 -0.022 0.000 0.901 39 S HN 0.640 nan 8.310 nan 0.000 0.447 40 T N 2.607 117.187 114.554 0.044 0.000 2.811 40 T HA 0.390 4.739 4.350 -0.000 0.000 0.309 40 T C -0.447 174.316 174.700 0.105 0.000 1.005 40 T CA -0.391 61.756 62.100 0.077 0.000 0.955 40 T CB -0.108 68.788 68.868 0.047 0.000 0.970 40 T HN 0.128 nan 8.240 nan 0.000 0.496 41 F N 5.109 125.069 119.950 0.017 0.000 2.529 41 F HA 0.292 4.818 4.527 -0.000 0.000 0.365 41 F C -1.749 174.080 175.800 0.049 0.000 1.102 41 F CA -1.856 56.161 58.000 0.030 0.000 1.271 41 F CB 0.432 39.450 39.000 0.030 0.000 1.120 41 F HN 0.358 nan 8.300 nan 0.000 0.579 42 P HA 0.055 nan 4.420 nan 0.000 0.268 42 P C -2.496 174.860 177.300 0.094 0.000 1.208 42 P CA -0.660 62.370 63.100 -0.116 0.000 0.777 42 P CB -0.175 31.370 31.700 -0.259 0.000 0.875 43 P HA -0.002 nan 4.420 nan 0.000 0.274 43 P C -0.406 176.983 177.300 0.148 0.000 1.237 43 P CA -0.294 62.889 63.100 0.139 0.000 0.793 43 P CB 0.564 32.332 31.700 0.113 0.000 0.977 44 C N 3.066 122.456 119.300 0.149 0.000 2.423 44 C HA 0.189 4.649 4.460 -0.000 0.000 0.378 44 C C 1.747 176.800 174.990 0.105 0.000 1.068 44 C CA 0.450 59.557 59.018 0.148 0.000 1.371 44 C CB -2.422 25.402 27.740 0.141 0.000 1.856 44 C HN 0.664 nan 8.230 nan 0.000 0.523 45 T N -0.344 114.272 114.554 0.103 0.000 3.069 45 T HA 0.012 4.362 4.350 -0.000 0.000 0.252 45 T C 1.478 176.221 174.700 0.073 0.000 1.053 45 T CA 0.671 62.785 62.100 0.023 0.000 0.964 45 T CB -0.118 68.616 68.868 -0.225 0.000 1.005 45 T HN 0.737 nan 8.240 nan 0.000 0.532 46 S N 0.682 116.448 115.700 0.110 0.000 2.470 46 S HA 0.010 4.480 4.470 -0.000 0.000 0.225 46 S C 0.941 175.483 174.600 -0.096 0.000 1.006 46 S CA -0.015 58.127 58.200 -0.096 0.000 0.934 46 S CB -0.420 62.824 63.200 0.073 0.000 0.778 46 S HN 0.471 nan 8.310 nan 0.000 0.517 47 D N 0.716 121.104 120.400 -0.020 0.000 2.545 47 D HA 0.051 4.691 4.640 -0.000 0.000 0.227 47 D C -0.127 176.070 176.300 -0.171 0.000 1.150 47 D CA -0.233 53.695 54.000 -0.120 0.000 1.046 47 D CB -0.028 40.742 40.800 -0.050 0.000 1.098 47 D HN 0.401 nan 8.370 nan 0.000 0.502 48 Y N 2.452 122.522 120.300 -0.383 0.000 2.476 48 Y HA -0.033 4.517 4.550 -0.001 0.000 0.283 48 Y C 0.611 176.431 175.900 -0.133 0.000 1.109 48 Y CA 0.655 58.606 58.100 -0.249 0.000 1.246 48 Y CB 0.184 38.488 38.460 -0.259 0.000 1.068 48 Y HN 0.279 nan 8.280 nan 0.000 0.552 49 Y N 0.596 120.465 120.300 -0.718 0.000 2.583 49 Y HA 0.202 4.751 4.550 -0.000 0.000 0.294 49 Y C 0.121 175.582 175.900 -0.732 0.000 1.170 49 Y CA -0.357 57.308 58.100 -0.725 0.000 1.265 49 Y CB -1.630 36.487 38.460 -0.572 0.000 1.119 49 Y HN 0.222 nan 8.280 nan 0.000 0.522 50 H N -0.887 117.805 119.070 -0.631 0.000 2.631 50 H HA -0.253 4.303 4.556 -0.000 0.000 0.322 50 H C 0.201 175.318 175.328 -0.353 0.000 1.035 50 H CA -0.119 55.679 56.048 -0.418 0.000 1.070 50 H CB -1.577 28.025 29.762 -0.266 0.000 1.622 50 H HN 0.400 nan 8.280 nan 0.000 0.373 51 F N 1.123 120.844 119.950 -0.381 0.000 2.661 51 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 51 F C 1.999 177.604 175.800 -0.326 0.000 1.137 51 F CA 0.297 58.033 58.000 -0.439 0.000 1.454 51 F CB -0.017 38.463 39.000 -0.867 0.000 1.103 51 F HN 0.386 nan 8.300 nan 0.000 0.577 52 N N 0.423 118.953 118.700 -0.284 0.000 2.443 52 N HA -0.156 4.584 4.740 -0.000 0.000 0.184 52 N C 1.127 176.552 175.510 -0.142 0.000 1.037 52 N CA 0.984 53.911 53.050 -0.204 0.000 0.896 52 N CB -0.383 37.935 38.487 -0.282 0.000 0.959 52 N HN 0.230 nan 8.380 nan 0.000 0.442 53 D N -0.169 120.123 120.400 -0.180 0.000 2.224 53 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 53 D C 1.526 177.808 176.300 -0.031 0.000 0.965 53 D CA 0.585 54.545 54.000 -0.068 0.000 0.852 53 D CB 0.058 40.829 40.800 -0.048 0.000 0.947 53 D HN 0.341 nan 8.370 nan 0.000 0.494 54 L N -0.004 121.185 121.223 -0.056 0.000 2.558 54 L HA 0.141 4.481 4.340 -0.000 0.000 0.225 54 L C 0.671 177.646 176.870 0.174 0.000 1.128 54 L CA 0.125 54.911 54.840 -0.090 0.000 0.868 54 L CB 0.026 41.737 42.059 -0.581 0.000 1.006 54 L HN -0.150 nan 8.230 nan 0.000 0.454 55 L N -0.688 120.621 121.223 0.143 0.000 2.334 55 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 55 L C 0.667 177.605 176.870 0.114 0.000 1.020 55 L CA -0.651 54.290 54.840 0.168 0.000 0.812 55 L CB 1.700 43.850 42.059 0.152 0.000 1.264 55 L HN -0.008 nan 8.230 nan 0.000 0.439 56 T N -2.160 112.457 114.554 0.104 0.000 2.882 56 T HA 0.258 4.608 4.350 -0.000 0.000 0.287 56 T C -1.957 172.775 174.700 0.053 0.000 1.014 56 T CA -1.630 60.513 62.100 0.072 0.000 1.049 56 T CB 1.253 70.158 68.868 0.061 0.000 1.001 56 T HN 0.330 nan 8.240 nan 0.000 0.525 57 P HA -0.136 nan 4.420 nan 0.000 0.216 57 P C 1.418 178.736 177.300 0.031 0.000 1.154 57 P CA 1.180 64.301 63.100 0.034 0.000 0.865 57 P CB 0.101 31.819 31.700 0.029 0.000 0.789 58 E N -0.293 119.924 120.200 0.028 0.000 2.107 58 E HA -0.190 4.160 4.350 -0.000 0.000 0.191 58 E C 1.841 178.455 176.600 0.023 0.000 0.982 58 E CA 0.887 57.300 56.400 0.022 0.000 0.809 58 E CB -0.139 29.572 29.700 0.017 0.000 0.756 58 E HN 0.279 nan 8.360 nan 0.000 0.459 59 E N 0.349 120.566 120.200 0.029 0.000 2.077 59 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 59 E C 2.228 178.852 176.600 0.040 0.000 0.989 59 E CA 1.120 57.537 56.400 0.029 0.000 0.800 59 E CB -0.002 29.726 29.700 0.046 0.000 0.746 59 E HN 0.309 nan 8.360 nan 0.000 0.452 60 Q N 0.066 119.894 119.800 0.047 0.000 2.096 60 Q HA -0.172 4.167 4.340 -0.000 0.000 0.204 60 Q C 2.226 178.250 176.000 0.039 0.000 0.982 60 Q CA 1.400 57.231 55.803 0.047 0.000 0.850 60 Q CB -0.164 28.596 28.738 0.038 0.000 0.901 60 Q HN 0.256 nan 8.270 nan 0.000 0.422 61 A N 0.606 123.445 122.820 0.031 0.000 1.930 61 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 61 A C 1.996 179.594 177.584 0.024 0.000 1.175 61 A CA 1.058 53.111 52.037 0.027 0.000 0.627 61 A CB -0.499 18.515 19.000 0.022 0.000 0.815 61 A HN 0.298 nan 8.150 nan 0.000 0.443 62 I N -1.137 119.445 120.570 0.020 0.000 2.252 62 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 62 I C 2.651 178.780 176.117 0.020 0.000 1.102 62 I CA 1.387 62.695 61.300 0.014 0.000 1.385 62 I CB -0.330 37.670 38.000 0.001 0.000 1.064 62 I HN 0.336 nan 8.210 nan 0.000 0.414 63 R N 1.511 122.030 120.500 0.032 0.000 2.094 63 R HA -0.260 4.079 4.340 -0.000 0.000 0.239 63 R C 2.393 178.722 176.300 0.050 0.000 1.137 63 R CA 2.055 58.186 56.100 0.052 0.000 0.943 63 R CB -0.232 30.116 30.300 0.081 0.000 0.850 63 R HN 0.231 nan 8.270 nan 0.000 0.433 64 K N 0.680 121.107 120.400 0.045 0.000 2.057 64 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 64 K C 2.190 178.808 176.600 0.030 0.000 1.049 64 K CA 1.655 57.967 56.287 0.041 0.000 0.931 64 K CB -0.117 32.406 32.500 0.039 0.000 0.714 64 K HN 0.070 nan 8.250 nan 0.000 0.440 65 K N 0.576 120.991 120.400 0.024 0.000 2.032 65 K HA -0.130 4.189 4.320 -0.000 0.000 0.209 65 K C 1.954 178.560 176.600 0.010 0.000 1.048 65 K CA 1.652 57.949 56.287 0.016 0.000 0.927 65 K CB -0.051 32.459 32.500 0.015 0.000 0.712 65 K HN 0.037 nan 8.250 nan 0.000 0.441 66 V N 1.510 121.431 119.914 0.010 0.000 2.295 66 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 66 V C 2.643 178.731 176.094 -0.011 0.000 1.049 66 V CA 2.011 64.312 62.300 0.002 0.000 1.024 66 V CB -0.658 31.169 31.823 0.008 0.000 0.648 66 V HN 0.422 nan 8.190 nan 0.000 0.447 67 R N 0.130 120.630 120.500 0.000 0.000 2.096 67 R HA -0.244 4.096 4.340 -0.000 0.000 0.240 67 R C 2.314 178.593 176.300 -0.034 0.000 1.139 67 R CA 2.342 58.432 56.100 -0.015 0.000 0.952 67 R CB -0.251 30.066 30.300 0.027 0.000 0.854 67 R HN 0.640 nan 8.270 nan 0.000 0.436 68 E N -0.523 119.672 120.200 -0.007 0.000 2.072 68 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 68 E C 1.970 178.557 176.600 -0.021 0.000 0.985 68 E CA 1.166 57.564 56.400 -0.004 0.000 0.801 68 E CB -0.175 29.533 29.700 0.012 0.000 0.750 68 E HN 0.367 nan 8.360 nan 0.000 0.452 69 C N 0.614 119.900 119.300 -0.022 0.000 2.491 69 C HA 0.032 4.492 4.460 -0.000 0.000 0.277 69 C C 2.065 177.023 174.990 -0.053 0.000 1.455 69 C CA 0.327 59.328 59.018 -0.028 0.000 1.758 69 C CB -0.740 26.989 27.740 -0.017 0.000 1.745 69 C HN 0.394 nan 8.230 nan 0.000 0.558 70 M N -0.670 118.883 119.600 -0.079 0.000 2.691 70 M HA 0.091 4.571 4.480 -0.000 0.000 0.261 70 M C 1.964 178.164 176.300 -0.167 0.000 1.227 70 M CA 1.069 56.292 55.300 -0.127 0.000 1.197 70 M CB -1.109 31.398 32.600 -0.155 0.000 1.294 70 M HN 0.367 nan 8.290 nan 0.000 0.508 71 E N 0.233 120.333 120.200 -0.167 0.000 2.338 71 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 71 E C 1.835 178.414 176.600 -0.034 0.000 1.007 71 E CA 0.907 57.228 56.400 -0.131 0.000 0.849 71 E CB 0.168 29.833 29.700 -0.059 0.000 0.774 71 E HN 0.305 nan 8.360 nan 0.000 0.506 72 K N 0.715 121.094 120.400 -0.034 0.000 2.121 72 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 72 K C 1.800 178.388 176.600 -0.020 0.000 1.041 72 K CA 0.889 57.170 56.287 -0.011 0.000 0.969 72 K CB 0.451 32.948 32.500 -0.006 0.000 0.799 72 K HN -0.142 nan 8.250 nan 0.000 0.456 73 E N -0.244 119.929 120.200 -0.045 0.000 2.307 73 E HA 0.036 4.386 4.350 -0.000 0.000 0.195 73 E C 1.802 178.346 176.600 -0.093 0.000 0.975 73 E CA 0.594 56.957 56.400 -0.061 0.000 0.878 73 E CB 0.781 30.437 29.700 -0.073 0.000 0.845 73 E HN 0.138 nan 8.360 nan 0.000 0.488 74 V N 0.975 120.829 119.914 -0.100 0.000 2.690 74 V HA 0.088 4.208 4.120 -0.000 0.000 0.240 74 V C 2.326 178.384 176.094 -0.061 0.000 1.078 74 V CA 1.120 63.351 62.300 -0.116 0.000 1.102 74 V CB -0.337 31.404 31.823 -0.136 0.000 0.800 74 V HN 0.144 nan 8.190 nan 0.000 0.479 75 A N 1.245 124.032 122.820 -0.056 0.000 1.927 75 A HA -0.190 4.129 4.320 -0.000 0.000 0.220 75 A C 0.418 178.034 177.584 0.055 0.000 1.185 75 A CA 2.630 54.675 52.037 0.014 0.000 0.639 75 A CB -1.952 17.070 19.000 0.036 0.000 0.820 75 A HN 0.554 nan 8.150 nan 0.000 0.451 76 P HA -0.093 nan 4.420 nan 0.000 0.215 76 P C 1.371 178.711 177.300 0.066 0.000 1.157 76 P CA 1.359 64.488 63.100 0.049 0.000 0.859 76 P CB -0.239 31.488 31.700 0.045 0.000 0.786 77 I N -3.272 117.346 120.570 0.081 0.000 3.059 77 I HA -0.030 4.140 4.170 -0.000 0.000 0.270 77 I C 2.224 178.467 176.117 0.210 0.000 1.238 77 I CA 0.890 62.290 61.300 0.168 0.000 1.478 77 I CB -1.588 36.541 38.000 0.214 0.000 1.097 77 I HN -0.159 nan 8.210 nan 0.000 0.455 78 M N 0.214 119.881 119.600 0.111 0.000 2.149 78 M HA -0.112 4.368 4.480 -0.000 0.000 0.261 78 M C 2.000 178.406 176.300 0.177 0.000 1.064 78 M CA 2.273 57.646 55.300 0.120 0.000 1.102 78 M CB -1.836 30.795 32.600 0.052 0.000 1.369 78 M HN 0.181 nan 8.290 nan 0.000 0.408 79 T N 0.630 115.255 114.554 0.117 0.000 2.684 79 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 79 T C 1.751 176.543 174.700 0.154 0.000 1.036 79 T CA 2.039 64.200 62.100 0.102 0.000 1.148 79 T CB -0.365 68.521 68.868 0.030 0.000 0.863 79 T HN 0.607 nan 8.240 nan 0.000 0.436 80 E N -0.123 120.147 120.200 0.116 0.000 2.028 80 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 80 E C 1.860 178.469 176.600 0.014 0.000 0.988 80 E CA 1.086 57.502 56.400 0.028 0.000 0.799 80 E CB -0.186 29.476 29.700 -0.063 0.000 0.755 80 E HN 0.624 nan 8.360 nan 0.000 0.447 81 Y N -1.371 118.983 120.300 0.090 0.000 2.439 81 Y HA -0.141 4.408 4.550 -0.000 0.000 0.292 81 Y C 1.849 177.815 175.900 0.111 0.000 1.130 81 Y CA 0.949 59.089 58.100 0.067 0.000 1.254 81 Y CB -0.177 38.282 38.460 -0.000 0.000 1.000 81 Y HN 0.296 nan 8.280 nan 0.000 0.554 82 W N 1.198 122.571 121.300 0.122 0.000 2.409 82 W HA -0.135 4.525 4.660 -0.000 0.000 0.299 82 W C 2.447 179.007 176.519 0.067 0.000 1.203 82 W CA 1.959 59.358 57.345 0.089 0.000 1.298 82 W CB -0.145 29.362 29.460 0.078 0.000 1.127 82 W HN 0.083 nan 8.180 nan 0.000 0.528 83 E N 0.757 121.127 120.200 0.283 0.000 2.051 83 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 83 E C 1.889 178.483 176.600 -0.011 0.000 0.991 83 E CA 1.795 58.274 56.400 0.132 0.000 0.799 83 E CB -0.340 29.448 29.700 0.146 0.000 0.748 83 E HN -0.046 nan 8.360 nan 0.000 0.449 84 K N -0.199 120.195 120.400 -0.009 0.000 2.439 84 K HA 0.114 4.434 4.320 -0.000 0.000 0.197 84 K C 0.793 177.375 176.600 -0.031 0.000 1.041 84 K CA 0.725 56.992 56.287 -0.032 0.000 0.970 84 K CB -0.014 32.449 32.500 -0.062 0.000 0.773 84 K HN 0.280 nan 8.250 nan 0.000 0.479 85 A N 1.648 124.427 122.820 -0.067 0.000 2.826 85 A HA -0.239 4.081 4.320 -0.000 0.000 0.274 85 A C -0.217 177.388 177.584 0.036 0.000 1.443 85 A CA 1.206 53.191 52.037 -0.086 0.000 0.833 85 A CB -1.955 16.972 19.000 -0.121 0.000 1.023 85 A HN 0.482 nan 8.150 nan 0.000 0.600 86 E N -1.424 118.846 120.200 0.117 0.000 2.214 86 E HA 0.592 4.942 4.350 -0.000 0.000 0.274 86 E C -0.374 176.368 176.600 0.236 0.000 0.977 86 E CA -0.878 55.653 56.400 0.218 0.000 0.827 86 E CB 1.000 30.858 29.700 0.263 0.000 1.130 86 E HN 0.446 nan 8.360 nan 0.000 0.394 87 F N 4.435 124.346 119.950 -0.064 0.000 2.427 87 F HA 0.227 4.754 4.527 -0.000 0.000 0.352 87 F C -1.880 173.569 175.800 -0.585 0.000 1.100 87 F CA -2.353 55.368 58.000 -0.466 0.000 1.191 87 F CB 0.905 39.327 39.000 -0.965 0.000 1.128 87 F HN 0.206 nan 8.300 nan 0.000 0.533 88 P HA 0.097 nan 4.420 nan 0.000 0.247 88 P C 0.243 176.958 177.300 -0.974 0.000 1.756 88 P CA 0.184 62.522 63.100 -1.270 0.000 1.117 88 P CB -0.354 30.477 31.700 -1.448 0.000 1.869 89 F N 1.378 121.140 119.950 -0.312 0.000 2.216 89 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 89 F C 2.593 178.335 175.800 -0.097 0.000 1.085 89 F CA 1.340 59.284 58.000 -0.093 0.000 1.326 89 F CB -0.807 38.190 39.000 -0.004 0.000 1.027 89 F HN 0.439 nan 8.300 nan 0.000 0.497 90 H N -1.180 117.874 119.070 -0.026 0.000 2.563 90 H HA 0.028 4.584 4.556 -0.000 0.000 0.272 90 H C 1.637 176.908 175.328 -0.094 0.000 1.005 90 H CA 0.821 56.848 56.048 -0.034 0.000 1.171 90 H CB -0.554 29.197 29.762 -0.019 0.000 1.351 90 H HN 0.296 nan 8.280 nan 0.000 0.602 91 I N 1.182 121.436 120.570 -0.526 0.000 3.462 91 I HA -0.086 4.084 4.170 -0.000 0.000 0.290 91 I C 2.091 178.078 176.117 -0.218 0.000 1.236 91 I CA 0.451 61.485 61.300 -0.443 0.000 1.418 91 I CB -0.024 37.611 38.000 -0.607 0.000 1.102 91 I HN 0.107 nan 8.210 nan 0.000 0.441 92 T N 2.439 116.907 114.554 -0.144 0.000 2.592 92 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 92 T C -0.406 174.328 174.700 0.058 0.000 1.060 92 T CA 2.172 64.290 62.100 0.029 0.000 1.167 92 T CB -1.584 67.373 68.868 0.148 0.000 0.863 92 T HN 0.267 nan 8.240 nan 0.000 0.431 93 P HA -0.064 nan 4.420 nan 0.000 0.220 93 P C 1.184 178.500 177.300 0.027 0.000 1.148 93 P CA 1.174 64.302 63.100 0.048 0.000 0.803 93 P CB -0.052 31.677 31.700 0.049 0.000 0.782 94 K N -0.144 120.253 120.400 -0.004 0.000 2.148 94 K HA 0.014 4.333 4.320 -0.000 0.000 0.204 94 K C 2.308 178.905 176.600 -0.004 0.000 1.050 94 K CA 0.836 57.113 56.287 -0.015 0.000 0.942 94 K CB -0.782 31.686 32.500 -0.053 0.000 0.724 94 K HN 0.300 nan 8.250 nan 0.000 0.446 95 L N 0.162 121.391 121.223 0.009 0.000 2.109 95 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 95 L C 2.444 179.345 176.870 0.051 0.000 1.086 95 L CA 1.239 56.104 54.840 0.040 0.000 0.760 95 L CB -0.744 41.374 42.059 0.098 0.000 0.910 95 L HN 0.225 nan 8.230 nan 0.000 0.437 96 G N -0.624 108.211 108.800 0.059 0.000 2.598 96 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.215 96 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.215 96 G C 1.601 176.527 174.900 0.044 0.000 1.131 96 G CA 0.678 45.811 45.100 0.055 0.000 0.785 96 G HN 0.435 nan 8.290 nan 0.000 0.539 97 A N 0.373 123.214 122.820 0.034 0.000 2.072 97 A HA 0.297 4.617 4.320 -0.000 0.000 0.216 97 A C 2.287 179.885 177.584 0.022 0.000 1.156 97 A CA 0.643 52.696 52.037 0.027 0.000 0.701 97 A CB -0.186 18.827 19.000 0.021 0.000 0.816 97 A HN 0.367 nan 8.150 nan 0.000 0.458 98 M N -0.997 118.616 119.600 0.021 0.000 2.319 98 M HA 0.081 4.560 4.480 -0.000 0.000 0.265 98 M C 1.318 177.630 176.300 0.019 0.000 1.068 98 M CA 1.060 56.370 55.300 0.017 0.000 1.118 98 M CB -0.248 32.361 32.600 0.015 0.000 1.395 98 M HN 0.618 nan 8.290 nan 0.000 0.435 99 G N 0.824 109.640 108.800 0.025 0.000 2.401 99 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.283 99 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.283 99 G C 0.180 175.092 174.900 0.021 0.000 1.117 99 G CA 0.070 45.186 45.100 0.026 0.000 1.051 99 G HN 0.311 nan 8.290 nan 0.000 0.510 100 V N -0.557 119.372 119.914 0.025 0.000 3.371 100 V HA 0.532 4.652 4.120 -0.000 0.000 0.246 100 V C 1.918 178.027 176.094 0.024 0.000 1.303 100 V CA 1.098 63.408 62.300 0.016 0.000 1.156 100 V CB 0.036 31.867 31.823 0.014 0.000 0.929 100 V HN 1.442 nan 8.190 nan 0.000 0.459 101 A N 0.758 123.606 122.820 0.046 0.000 2.524 101 A HA 0.481 4.801 4.320 -0.000 0.000 0.250 101 A C 1.527 179.157 177.584 0.077 0.000 1.078 101 A CA 1.117 53.205 52.037 0.084 0.000 0.761 101 A CB -0.545 18.523 19.000 0.112 0.000 1.012 101 A HN 1.281 nan 8.150 nan 0.000 0.500 102 G N 1.826 110.659 108.800 0.056 0.000 2.956 102 G HA2 0.055 4.015 3.960 -0.000 0.000 0.210 102 G HA3 0.055 4.015 3.960 -0.000 0.000 0.210 102 G C 1.866 176.769 174.900 0.005 0.000 1.316 102 G CA 1.059 46.177 45.100 0.029 0.000 0.819 102 G HN 2.679 nan 8.290 nan 0.000 0.544 103 G N 0.213 109.016 108.800 0.005 0.000 3.284 103 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.351 103 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.351 103 G C 1.691 176.581 174.900 -0.017 0.000 1.232 103 G CA 2.645 47.734 45.100 -0.018 0.000 1.001 103 G HN 1.817 nan 8.290 nan 0.000 0.639 104 S N 0.917 116.600 115.700 -0.029 0.000 2.428 104 S HA 0.188 4.658 4.470 -0.000 0.000 0.230 104 S C 1.348 175.958 174.600 0.017 0.000 1.014 104 S CA 0.779 58.971 58.200 -0.013 0.000 0.957 104 S CB -0.139 63.043 63.200 -0.030 0.000 0.784 104 S HN 0.502 nan 8.310 nan 0.000 0.499 105 I N 2.707 123.291 120.570 0.023 0.000 2.668 105 I HA 0.009 4.179 4.170 -0.000 0.000 0.285 105 I C 0.388 176.554 176.117 0.081 0.000 1.168 105 I CA 0.190 61.528 61.300 0.064 0.000 1.424 105 I CB 0.317 38.360 38.000 0.072 0.000 1.377 105 I HN -0.106 nan 8.210 nan 0.000 0.560 106 K N 5.472 125.928 120.400 0.094 0.000 2.183 106 K HA 0.534 4.854 4.320 -0.000 0.000 0.274 106 K C 0.456 177.074 176.600 0.030 0.000 1.009 106 K CA 0.070 56.387 56.287 0.050 0.000 0.888 106 K CB 1.511 34.024 32.500 0.022 0.000 1.078 106 K HN 0.920 nan 8.250 nan 0.000 0.459 107 G N 1.937 110.708 108.800 -0.048 0.000 2.642 107 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.231 107 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.231 107 G C -0.511 174.349 174.900 -0.067 0.000 1.338 107 G CA -0.003 44.977 45.100 -0.200 0.000 0.883 107 G HN 0.689 nan 8.290 nan 0.000 0.570 108 Y N -1.350 118.954 120.300 0.007 0.000 3.491 108 Y HA -0.073 4.477 4.550 -0.000 0.000 0.215 108 Y C 2.242 178.152 175.900 0.017 0.000 1.219 108 Y CA 1.973 60.079 58.100 0.011 0.000 1.485 108 Y CB -1.734 36.733 38.460 0.013 0.000 1.450 108 Y HN 2.692 nan 8.280 nan 0.000 0.603 109 G N -2.026 106.828 108.800 0.090 0.000 2.168 109 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.257 109 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.257 109 G C 0.126 175.072 174.900 0.077 0.000 0.997 109 G CA -0.031 45.113 45.100 0.073 0.000 0.708 109 G HN 0.681 nan 8.290 nan 0.000 0.520 110 C N 0.470 119.820 119.300 0.083 0.000 2.365 110 C HA 0.596 5.056 4.460 -0.000 0.000 0.349 110 C C 0.363 175.379 174.990 0.044 0.000 1.191 110 C CA -0.683 58.378 59.018 0.072 0.000 2.114 110 C CB 1.488 29.283 27.740 0.092 0.000 2.367 110 C HN 0.355 nan 8.230 nan 0.000 0.530 111 P HA -0.004 nan 4.420 nan 0.000 0.218 111 P C 0.770 178.078 177.300 0.013 0.000 1.148 111 P CA 1.978 65.091 63.100 0.021 0.000 0.822 111 P CB -0.009 31.702 31.700 0.017 0.000 0.784 112 G N 0.239 109.048 108.800 0.016 0.000 2.368 112 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.290 112 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.290 112 G C -0.205 174.695 174.900 0.001 0.000 1.098 112 G CA -0.192 44.914 45.100 0.010 0.000 1.073 112 G HN 0.283 nan 8.290 nan 0.000 0.511 113 L N 0.369 121.589 121.223 -0.005 0.000 2.416 113 L HA 0.652 4.991 4.340 -0.000 0.000 0.262 113 L C 1.455 178.313 176.870 -0.019 0.000 1.093 113 L CA -0.450 54.380 54.840 -0.017 0.000 0.801 113 L CB 1.264 43.304 42.059 -0.030 0.000 1.191 113 L HN 0.512 nan 8.230 nan 0.000 0.459 114 S N 0.168 115.853 115.700 -0.025 0.000 2.593 114 S HA 0.106 4.576 4.470 -0.000 0.000 0.269 114 S C 0.889 175.457 174.600 -0.053 0.000 1.334 114 S CA -0.614 57.572 58.200 -0.024 0.000 1.015 114 S CB 1.113 64.301 63.200 -0.020 0.000 0.912 114 S HN 0.577 nan 8.310 nan 0.000 0.541 115 I N 1.887 122.439 120.570 -0.031 0.000 2.264 115 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 115 I C 2.181 178.180 176.117 -0.197 0.000 1.111 115 I CA 1.955 63.204 61.300 -0.086 0.000 1.382 115 I CB -0.910 37.111 38.000 0.034 0.000 1.060 115 I HN 0.893 nan 8.210 nan 0.000 0.418 116 T N 0.721 115.179 114.554 -0.160 0.000 2.777 116 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 116 T C 1.972 176.507 174.700 -0.276 0.000 1.040 116 T CA 1.321 63.288 62.100 -0.222 0.000 1.141 116 T CB -0.610 68.214 68.868 -0.074 0.000 0.868 116 T HN 0.506 nan 8.240 nan 0.000 0.444 117 A N 1.811 124.532 122.820 -0.164 0.000 1.898 117 A HA -0.086 4.233 4.320 -0.000 0.000 0.216 117 A C 2.171 179.644 177.584 -0.184 0.000 1.181 117 A CA 1.582 53.537 52.037 -0.136 0.000 0.620 117 A CB -0.879 18.080 19.000 -0.067 0.000 0.819 117 A HN 0.590 nan 8.150 nan 0.000 0.442 118 N N -0.446 118.140 118.700 -0.190 0.000 2.309 118 N HA -0.060 4.680 4.740 -0.000 0.000 0.182 118 N C 1.776 177.114 175.510 -0.287 0.000 1.018 118 N CA 0.785 53.723 53.050 -0.187 0.000 0.876 118 N CB -0.121 38.276 38.487 -0.149 0.000 0.972 118 N HN 0.453 nan 8.380 nan 0.000 0.434 119 A N 0.799 123.318 122.820 -0.501 0.000 1.874 119 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 119 A C 1.991 179.033 177.584 -0.902 0.000 1.189 119 A CA 0.507 52.010 52.037 -0.890 0.000 0.615 119 A CB -0.416 17.609 19.000 -1.625 0.000 0.830 119 A HN 0.316 nan 8.150 nan 0.000 0.443 120 I N -0.107 119.979 120.570 -0.807 0.000 2.614 120 I HA -0.125 4.044 4.170 -0.000 0.000 0.258 120 I C 2.451 178.504 176.117 -0.107 0.000 1.189 120 I CA 1.082 62.152 61.300 -0.383 0.000 1.462 120 I CB -0.157 37.738 38.000 -0.175 0.000 1.092 120 I HN 0.291 nan 8.210 nan 0.000 0.442 121 A N -0.708 122.031 122.820 -0.135 0.000 1.873 121 A HA -0.176 4.143 4.320 -0.000 0.000 0.215 121 A C 2.329 179.907 177.584 -0.011 0.000 1.186 121 A CA 2.276 54.283 52.037 -0.051 0.000 0.616 121 A CB -1.321 17.643 19.000 -0.060 0.000 0.823 121 A HN 0.423 nan 8.150 nan 0.000 0.442 122 T N 0.668 115.203 114.554 -0.031 0.000 2.720 122 T HA -0.094 4.256 4.350 -0.000 0.000 0.268 122 T C 2.201 176.970 174.700 0.116 0.000 1.037 122 T CA 1.742 63.865 62.100 0.039 0.000 1.144 122 T CB -0.563 68.325 68.868 0.034 0.000 0.864 122 T HN 0.609 nan 8.240 nan 0.000 0.444 123 A N 2.038 124.964 122.820 0.176 0.000 1.865 123 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 123 A C 2.229 179.928 177.584 0.192 0.000 1.191 123 A CA 1.405 53.609 52.037 0.278 0.000 0.623 123 A CB -0.468 18.823 19.000 0.485 0.000 0.826 123 A HN 0.372 nan 8.150 nan 0.000 0.444 124 E N -0.420 119.868 120.200 0.146 0.000 2.472 124 E HA -0.037 4.313 4.350 -0.000 0.000 0.200 124 E C 1.730 178.354 176.600 0.040 0.000 1.046 124 E CA 0.531 56.990 56.400 0.098 0.000 0.871 124 E CB -0.208 29.540 29.700 0.081 0.000 0.806 124 E HN 0.776 nan 8.360 nan 0.000 0.533 125 I N 0.409 121.010 120.570 0.053 0.000 2.364 125 I HA -0.081 4.089 4.170 -0.000 0.000 0.241 125 I C 2.395 178.542 176.117 0.050 0.000 1.082 125 I CA 0.715 62.035 61.300 0.033 0.000 1.401 125 I CB -0.334 37.699 38.000 0.054 0.000 1.126 125 I HN -0.055 nan 8.210 nan 0.000 0.429 126 A N 1.138 124.016 122.820 0.098 0.000 2.024 126 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 126 A C 2.419 180.076 177.584 0.122 0.000 1.164 126 A CA 1.619 53.728 52.037 0.120 0.000 0.643 126 A CB -0.771 18.317 19.000 0.146 0.000 0.806 126 A HN 0.388 nan 8.150 nan 0.000 0.451 127 R N -0.219 120.355 120.500 0.122 0.000 2.083 127 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 127 R C 1.760 178.151 176.300 0.152 0.000 1.137 127 R CA 2.272 58.468 56.100 0.161 0.000 0.951 127 R CB -0.446 29.950 30.300 0.159 0.000 0.851 127 R HN 0.318 nan 8.270 nan 0.000 0.434 128 V N 0.006 119.877 119.914 -0.072 0.000 2.379 128 V HA -0.041 4.079 4.120 -0.000 0.000 0.243 128 V C 0.386 176.470 176.094 -0.017 0.000 1.035 128 V CA 1.472 63.606 62.300 -0.275 0.000 1.035 128 V CB -0.254 31.242 31.823 -0.545 0.000 0.673 128 V HN 0.402 nan 8.190 nan 0.000 0.457 129 D N -1.993 118.408 120.400 0.002 0.000 2.890 129 D HA 0.538 5.178 4.640 -0.000 0.000 0.233 129 D C 0.397 176.753 176.300 0.093 0.000 1.306 129 D CA 0.220 54.248 54.000 0.048 0.000 0.929 129 D CB 1.924 42.740 40.800 0.026 0.000 1.512 129 D HN 0.051 nan 8.370 nan 0.000 0.568 130 A N 2.365 125.260 122.820 0.126 0.000 1.968 130 A HA -0.027 4.292 4.320 -0.000 0.000 0.217 130 A C 1.964 179.670 177.584 0.203 0.000 1.169 130 A CA 1.441 53.578 52.037 0.166 0.000 0.638 130 A CB -0.244 18.861 19.000 0.175 0.000 0.812 130 A HN 0.512 nan 8.150 nan 0.000 0.446 131 S N -0.701 115.134 115.700 0.226 0.000 2.351 131 S HA -0.223 4.247 4.470 -0.000 0.000 0.220 131 S C 1.883 176.630 174.600 0.245 0.000 1.035 131 S CA 1.579 59.931 58.200 0.253 0.000 1.031 131 S CB -0.760 62.615 63.200 0.291 0.000 0.928 131 S HN 0.695 nan 8.310 nan 0.000 0.433 132 C N 1.160 120.564 119.300 0.173 0.000 2.419 132 C HA 0.036 4.496 4.460 -0.000 0.000 0.283 132 C C 3.149 178.299 174.990 0.267 0.000 1.373 132 C CA 0.855 59.988 59.018 0.192 0.000 1.781 132 C CB -1.369 26.390 27.740 0.032 0.000 1.886 132 C HN 0.678 nan 8.230 nan 0.000 0.520 133 S N 0.032 115.854 115.700 0.204 0.000 2.371 133 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 133 S C 1.902 176.621 174.600 0.198 0.000 1.029 133 S CA 2.208 60.516 58.200 0.180 0.000 0.978 133 S CB -0.307 62.987 63.200 0.156 0.000 0.833 133 S HN 0.666 nan 8.310 nan 0.000 0.466 134 T N 1.840 116.533 114.554 0.232 0.000 2.777 134 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 134 T C 1.343 176.170 174.700 0.211 0.000 1.040 134 T CA 1.367 63.598 62.100 0.218 0.000 1.141 134 T CB -0.578 68.401 68.868 0.184 0.000 0.868 134 T HN 0.541 nan 8.240 nan 0.000 0.444 135 F N 1.946 121.988 119.950 0.154 0.000 2.063 135 F HA -0.156 4.370 4.527 -0.000 0.000 0.298 135 F C 1.925 177.813 175.800 0.147 0.000 1.109 135 F CA 1.226 59.328 58.000 0.170 0.000 1.212 135 F CB -0.611 38.572 39.000 0.306 0.000 0.973 135 F HN 0.097 nan 8.300 nan 0.000 0.480 136 I N -0.167 120.330 120.570 -0.122 0.000 2.202 136 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 136 I C 2.533 178.599 176.117 -0.085 0.000 1.091 136 I CA 1.315 62.479 61.300 -0.226 0.000 1.368 136 I CB -0.524 37.473 38.000 -0.006 0.000 1.058 136 I HN 0.302 nan 8.210 nan 0.000 0.410 137 L N 0.343 121.564 121.223 -0.003 0.000 2.012 137 L HA -0.234 4.105 4.340 -0.000 0.000 0.210 137 L C 2.504 179.351 176.870 -0.039 0.000 1.073 137 L CA 1.530 56.368 54.840 -0.003 0.000 0.748 137 L CB -0.156 41.936 42.059 0.055 0.000 0.891 137 L HN -0.018 nan 8.230 nan 0.000 0.431 138 V N -0.642 119.265 119.914 -0.012 0.000 2.407 138 V HA -0.335 3.784 4.120 -0.000 0.000 0.248 138 V C 2.386 178.450 176.094 -0.051 0.000 1.055 138 V CA 2.168 64.457 62.300 -0.017 0.000 1.049 138 V CB -0.877 30.969 31.823 0.038 0.000 0.662 138 V HN 0.680 nan 8.190 nan 0.000 0.455 139 H N -0.539 118.410 119.070 -0.202 0.000 2.326 139 H HA -0.115 4.441 4.556 -0.000 0.000 0.301 139 H C 2.536 177.773 175.328 -0.151 0.000 1.081 139 H CA 2.103 58.020 56.048 -0.217 0.000 1.334 139 H CB 0.062 29.578 29.762 -0.410 0.000 1.385 139 H HN 0.363 nan 8.280 nan 0.000 0.504 140 S N -1.376 114.273 115.700 -0.084 0.000 2.384 140 S HA 0.004 4.473 4.470 -0.000 0.000 0.217 140 S C 2.181 176.697 174.600 -0.141 0.000 1.041 140 S CA 0.805 58.949 58.200 -0.093 0.000 0.948 140 S CB -0.296 62.915 63.200 0.018 0.000 0.872 140 S HN 0.462 nan 8.310 nan 0.000 0.512 141 S N 0.890 116.505 115.700 -0.141 0.000 2.461 141 S HA 0.290 4.760 4.470 -0.000 0.000 0.228 141 S C 1.563 175.995 174.600 -0.281 0.000 1.005 141 S CA 0.498 58.588 58.200 -0.183 0.000 0.942 141 S CB -0.079 63.021 63.200 -0.167 0.000 0.776 141 S HN 0.383 nan 8.310 nan 0.000 0.514 142 L N -0.180 120.842 121.223 -0.335 0.000 2.435 142 L HA 0.273 4.613 4.340 -0.000 0.000 0.195 142 L C 2.523 179.169 176.870 -0.373 0.000 1.072 142 L CA 0.664 55.132 54.840 -0.620 0.000 0.833 142 L CB -0.839 40.742 42.059 -0.797 0.000 1.081 142 L HN 0.356 nan 8.230 nan 0.000 0.485 143 G N 0.083 108.788 108.800 -0.158 0.000 2.616 143 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.215 143 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.215 143 G C 1.501 176.333 174.900 -0.114 0.000 1.284 143 G CA 0.562 45.637 45.100 -0.042 0.000 0.823 143 G HN 0.062 nan 8.290 nan 0.000 0.569 144 M N -0.230 119.228 119.600 -0.237 0.000 2.106 144 M HA -0.096 4.384 4.480 -0.000 0.000 0.259 144 M C 2.570 178.800 176.300 -0.116 0.000 1.068 144 M CA 1.228 56.414 55.300 -0.190 0.000 1.100 144 M CB -0.474 32.000 32.600 -0.209 0.000 1.351 144 M HN 0.250 nan 8.290 nan 0.000 0.404 145 L N 0.095 121.248 121.223 -0.116 0.000 2.083 145 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 145 L C 2.328 179.166 176.870 -0.053 0.000 1.083 145 L CA 1.857 56.644 54.840 -0.088 0.000 0.752 145 L CB -0.738 41.251 42.059 -0.117 0.000 0.899 145 L HN 0.215 nan 8.230 nan 0.000 0.433 146 T N -0.135 114.409 114.554 -0.016 0.000 2.720 146 T HA -0.190 4.159 4.350 -0.000 0.000 0.268 146 T C 1.931 176.632 174.700 0.001 0.000 1.037 146 T CA 2.094 64.240 62.100 0.076 0.000 1.144 146 T CB -0.337 68.711 68.868 0.299 0.000 0.864 146 T HN 0.321 nan 8.240 nan 0.000 0.444 147 I N 1.138 121.682 120.570 -0.043 0.000 2.252 147 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 147 I C 2.832 178.886 176.117 -0.106 0.000 1.102 147 I CA 1.025 62.276 61.300 -0.081 0.000 1.385 147 I CB -0.383 37.565 38.000 -0.087 0.000 1.064 147 I HN 0.186 nan 8.210 nan 0.000 0.414 148 A N 0.307 123.064 122.820 -0.106 0.000 2.015 148 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 148 A C 2.201 179.742 177.584 -0.071 0.000 1.163 148 A CA 1.363 53.326 52.037 -0.124 0.000 0.646 148 A CB -0.390 18.567 19.000 -0.072 0.000 0.806 148 A HN 0.421 nan 8.150 nan 0.000 0.448 149 L N -2.437 118.759 121.223 -0.044 0.000 2.467 149 L HA 0.035 4.375 4.340 -0.000 0.000 0.213 149 L C 1.837 178.691 176.870 -0.027 0.000 1.053 149 L CA 0.379 55.206 54.840 -0.022 0.000 0.847 149 L CB 0.174 42.228 42.059 -0.008 0.000 1.075 149 L HN 0.381 nan 8.230 nan 0.000 0.479 150 C N -0.375 118.905 119.300 -0.034 0.000 3.065 150 C HA 0.349 4.808 4.460 -0.000 0.000 0.285 150 C C 1.541 176.487 174.990 -0.074 0.000 1.257 150 C CA -0.624 58.366 59.018 -0.046 0.000 1.691 150 C CB -0.539 27.180 27.740 -0.034 0.000 2.089 150 C HN 0.422 nan 8.230 nan 0.000 0.630 151 G N 1.337 110.090 108.800 -0.079 0.000 2.599 151 G HA2 0.426 4.386 3.960 -0.000 0.000 0.264 151 G HA3 0.426 4.386 3.960 -0.000 0.000 0.264 151 G C 0.143 175.003 174.900 -0.067 0.000 1.200 151 G CA 0.221 45.272 45.100 -0.082 0.000 0.896 151 G HN 0.517 nan 8.290 nan 0.000 0.536 152 S N -0.625 115.045 115.700 -0.049 0.000 2.652 152 S HA 0.268 4.737 4.470 -0.000 0.000 0.270 152 S C 0.961 175.539 174.600 -0.038 0.000 1.243 152 S CA -0.471 57.710 58.200 -0.031 0.000 0.999 152 S CB 1.726 64.918 63.200 -0.013 0.000 0.973 152 S HN 0.565 nan 8.310 nan 0.000 0.544 153 E N 1.094 121.288 120.200 -0.010 0.000 2.160 153 E HA -0.149 4.200 4.350 -0.000 0.000 0.195 153 E C 2.191 178.798 176.600 0.012 0.000 0.991 153 E CA 1.504 57.915 56.400 0.019 0.000 0.810 153 E CB -0.822 28.914 29.700 0.061 0.000 0.742 153 E HN 0.811 nan 8.360 nan 0.000 0.466 154 A N 0.877 123.697 122.820 -0.000 0.000 1.969 154 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 154 A C 2.104 179.661 177.584 -0.045 0.000 1.169 154 A CA 1.233 53.262 52.037 -0.013 0.000 0.635 154 A CB -0.293 18.703 19.000 -0.006 0.000 0.810 154 A HN 0.199 nan 8.150 nan 0.000 0.445 155 Q N -0.357 119.432 119.800 -0.019 0.000 2.096 155 Q HA -0.080 4.260 4.340 -0.000 0.000 0.197 155 Q C 2.000 178.001 176.000 0.001 0.000 0.964 155 Q CA 1.358 57.187 55.803 0.045 0.000 0.838 155 Q CB -0.124 28.692 28.738 0.131 0.000 0.906 155 Q HN 0.624 nan 8.270 nan 0.000 0.444 156 K N 0.731 121.052 120.400 -0.131 0.000 2.032 156 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 156 K C 1.874 178.339 176.600 -0.225 0.000 1.048 156 K CA 1.095 57.164 56.287 -0.362 0.000 0.927 156 K CB 0.009 31.983 32.500 -0.876 0.000 0.712 156 K HN 0.151 nan 8.250 nan 0.000 0.441 157 E N 0.692 120.863 120.200 -0.048 0.000 2.347 157 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 157 E C 1.778 178.367 176.600 -0.019 0.000 1.008 157 E CA 0.778 57.237 56.400 0.098 0.000 0.852 157 E CB 0.212 29.982 29.700 0.117 0.000 0.783 157 E HN 0.276 nan 8.360 nan 0.000 0.505 158 K N -0.375 119.934 120.400 -0.151 0.000 2.141 158 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 158 K C 1.578 177.969 176.600 -0.348 0.000 1.045 158 K CA 0.588 56.671 56.287 -0.339 0.000 0.971 158 K CB 0.190 32.310 32.500 -0.634 0.000 0.795 158 K HN 0.034 nan 8.250 nan 0.000 0.459 159 Y N 0.618 120.912 120.300 -0.010 0.000 2.314 159 Y HA 0.063 4.613 4.550 -0.000 0.000 0.294 159 Y C 2.087 177.989 175.900 0.004 0.000 1.139 159 Y CA 0.093 58.190 58.100 -0.005 0.000 1.162 159 Y CB -0.183 38.260 38.460 -0.028 0.000 1.121 159 Y HN -0.126 nan 8.280 nan 0.000 0.529 160 L N 0.373 121.676 121.223 0.133 0.000 2.034 160 L HA -0.242 4.098 4.340 -0.000 0.000 0.217 160 L C -0.619 176.318 176.870 0.111 0.000 1.077 160 L CA 1.731 56.621 54.840 0.083 0.000 0.769 160 L CB -1.932 40.140 42.059 0.022 0.000 0.890 160 L HN 0.197 nan 8.230 nan 0.000 0.435 161 P HA -0.201 nan 4.420 nan 0.000 0.216 161 P C 1.919 179.281 177.300 0.104 0.000 1.153 161 P CA 1.806 64.970 63.100 0.106 0.000 0.858 161 P CB 0.027 31.779 31.700 0.087 0.000 0.789 162 S N -1.813 113.953 115.700 0.110 0.000 2.414 162 S HA -0.044 4.425 4.470 -0.000 0.000 0.227 162 S C 1.683 176.376 174.600 0.155 0.000 1.022 162 S CA 0.621 58.894 58.200 0.122 0.000 0.958 162 S CB -0.808 62.466 63.200 0.123 0.000 0.797 162 S HN -0.104 nan 8.310 nan 0.000 0.493 163 L N 1.460 122.787 121.223 0.173 0.000 2.156 163 L HA 0.198 4.538 4.340 -0.000 0.000 0.208 163 L C 2.640 179.688 176.870 0.298 0.000 1.095 163 L CA 1.481 56.468 54.840 0.244 0.000 0.770 163 L CB -0.842 41.289 42.059 0.120 0.000 0.914 163 L HN 0.351 nan 8.230 nan 0.000 0.439 164 A N -1.457 121.473 122.820 0.184 0.000 1.968 164 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 164 A C 2.081 179.738 177.584 0.122 0.000 1.169 164 A CA 1.002 53.130 52.037 0.152 0.000 0.638 164 A CB -0.241 18.824 19.000 0.109 0.000 0.812 164 A HN 0.386 nan 8.150 nan 0.000 0.446 165 Q N -1.497 118.372 119.800 0.115 0.000 2.403 165 Q HA 0.184 4.523 4.340 -0.000 0.000 0.203 165 Q C -0.200 175.855 176.000 0.092 0.000 0.932 165 Q CA 0.015 55.872 55.803 0.091 0.000 0.945 165 Q CB 0.348 29.136 28.738 0.083 0.000 1.045 165 Q HN 0.424 nan 8.270 nan 0.000 0.511 166 L N 0.207 121.491 121.223 0.102 0.000 4.040 166 L HA -0.297 4.042 4.340 -0.000 0.000 0.410 166 L C 0.526 177.472 176.870 0.126 0.000 1.187 166 L CA 0.800 55.688 54.840 0.080 0.000 0.956 166 L CB -2.427 39.670 42.059 0.064 0.000 2.022 166 L HN 0.307 nan 8.230 nan 0.000 0.897 167 N N -1.500 117.278 118.700 0.130 0.000 2.354 167 N HA 0.045 4.785 4.740 -0.000 0.000 0.179 167 N C 0.506 176.110 175.510 0.156 0.000 1.021 167 N CA 1.121 54.250 53.050 0.131 0.000 0.887 167 N CB 0.227 38.779 38.487 0.110 0.000 0.974 167 N HN 0.676 nan 8.380 nan 0.000 0.437 168 T N -1.463 113.198 114.554 0.179 0.000 2.876 168 T HA 0.595 4.944 4.350 -0.000 0.000 0.289 168 T C -0.573 174.287 174.700 0.266 0.000 1.014 168 T CA -0.861 61.360 62.100 0.202 0.000 0.986 168 T CB 2.487 71.465 68.868 0.184 0.000 1.021 168 T HN -0.316 nan 8.240 nan 0.000 0.458 169 V N 1.764 121.834 119.914 0.261 0.000 2.459 169 V HA 0.806 4.925 4.120 -0.000 0.000 0.295 169 V C 0.323 176.544 176.094 0.211 0.000 1.029 169 V CA -0.826 61.657 62.300 0.306 0.000 0.874 169 V CB 1.206 33.225 31.823 0.326 0.000 0.985 169 V HN 1.311 nan 8.190 nan 0.000 0.438 170 A N 3.727 126.700 122.820 0.254 0.000 2.330 170 A HA 0.918 5.238 4.320 -0.000 0.000 0.329 170 A C -0.198 177.380 177.584 -0.011 0.000 1.135 170 A CA -0.423 51.615 52.037 0.002 0.000 0.817 170 A CB 1.424 20.332 19.000 -0.152 0.000 1.269 170 A HN 1.358 nan 8.150 nan 0.000 0.469 171 C N -1.624 117.667 119.300 -0.015 0.000 2.994 171 C HA 0.880 5.340 4.460 -0.000 0.000 0.304 171 C C -1.238 173.845 174.990 0.156 0.000 1.273 171 C CA -0.990 58.050 59.018 0.036 0.000 1.537 171 C CB 0.450 28.169 27.740 -0.035 0.000 2.001 171 C HN 0.916 nan 8.230 nan 0.000 0.471 172 W N 2.117 123.417 121.300 -0.000 0.000 2.417 172 W HA 0.633 5.293 4.660 -0.000 0.000 0.315 172 W C -0.226 176.357 176.519 0.108 0.000 1.045 172 W CA -0.429 56.962 57.345 0.077 0.000 1.221 172 W CB 1.796 31.303 29.460 0.078 0.000 1.309 172 W HN 1.113 nan 8.180 nan 0.000 0.453 173 A N 6.768 129.523 122.820 -0.108 0.000 2.802 173 A HA 0.406 4.726 4.320 -0.000 0.000 0.344 173 A C -0.358 177.129 177.584 -0.162 0.000 1.215 173 A CA -0.348 51.642 52.037 -0.079 0.000 0.821 173 A CB 0.359 19.335 19.000 -0.039 0.000 1.099 173 A HN 0.752 nan 8.150 nan 0.000 0.479 174 L N 1.702 122.736 121.223 -0.316 0.000 2.445 174 L HA 0.281 4.621 4.340 -0.000 0.000 0.207 174 L C 0.993 177.771 176.870 -0.153 0.000 1.053 174 L CA 1.495 56.095 54.840 -0.401 0.000 0.841 174 L CB 0.104 41.696 42.059 -0.778 0.000 1.074 174 L HN 0.408 nan 8.230 nan 0.000 0.479 175 T N 1.470 116.001 114.554 -0.038 0.000 2.918 175 T HA 0.279 4.629 4.350 -0.000 0.000 0.302 175 T C -0.242 174.485 174.700 0.044 0.000 1.045 175 T CA -0.147 61.974 62.100 0.034 0.000 1.114 175 T CB 0.701 69.646 68.868 0.127 0.000 0.965 175 T HN 0.242 nan 8.240 nan 0.000 0.540 176 E N 2.085 122.312 120.200 0.043 0.000 2.359 176 E HA 0.263 4.613 4.350 -0.000 0.000 0.266 176 E C -1.881 174.761 176.600 0.071 0.000 0.920 176 E CA -2.332 54.091 56.400 0.038 0.000 0.788 176 E CB 1.744 31.444 29.700 -0.001 0.000 1.279 176 E HN 0.226 nan 8.360 nan 0.000 0.438 177 P HA -0.136 nan 4.420 nan 0.000 0.216 177 P C 0.286 177.618 177.300 0.053 0.000 1.153 177 P CA 1.260 64.398 63.100 0.063 0.000 0.848 177 P CB 0.269 31.984 31.700 0.024 0.000 0.787 178 D N -1.612 118.804 120.400 0.027 0.000 2.149 178 D HA -0.028 4.612 4.640 -0.000 0.000 0.201 178 D C 0.399 176.707 176.300 0.014 0.000 0.972 178 D CA 1.054 55.064 54.000 0.017 0.000 0.835 178 D CB -0.277 40.525 40.800 0.003 0.000 0.966 178 D HN 0.118 nan 8.370 nan 0.000 0.476 179 N N -0.304 118.401 118.700 0.007 0.000 2.483 179 N HA 0.371 5.111 4.740 -0.000 0.000 0.267 179 N C 0.286 175.798 175.510 0.002 0.000 0.998 179 N CA -0.132 52.912 53.050 -0.010 0.000 0.918 179 N CB 2.115 40.574 38.487 -0.047 0.000 1.215 179 N HN 0.097 nan 8.380 nan 0.000 0.500 180 G N 0.661 109.470 108.800 0.015 0.000 2.531 180 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.210 180 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.210 180 G C 1.061 175.970 174.900 0.015 0.000 1.547 180 G CA 0.150 45.267 45.100 0.029 0.000 0.740 180 G HN 0.418 nan 8.290 nan 0.000 0.611 181 S N 0.649 116.364 115.700 0.024 0.000 2.387 181 S HA -0.035 4.435 4.470 -0.000 0.000 0.226 181 S C 1.057 175.676 174.600 0.031 0.000 1.026 181 S CA 0.883 59.107 58.200 0.039 0.000 0.972 181 S CB -0.111 63.120 63.200 0.052 0.000 0.814 181 S HN 0.387 nan 8.310 nan 0.000 0.477 182 D N 1.291 121.694 120.400 0.006 0.000 2.688 182 D HA 0.446 5.086 4.640 -0.000 0.000 0.228 182 D C 0.892 177.125 176.300 -0.112 0.000 1.116 182 D CA -0.061 53.918 54.000 -0.034 0.000 1.023 182 D CB 0.038 40.827 40.800 -0.018 0.000 1.100 182 D HN 0.193 nan 8.370 nan 0.000 0.487 183 A N 0.927 123.648 122.820 -0.165 0.000 1.968 183 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 183 A C 2.175 179.433 177.584 -0.544 0.000 1.169 183 A CA 1.340 53.203 52.037 -0.291 0.000 0.638 183 A CB -0.382 18.470 19.000 -0.246 0.000 0.812 183 A HN 0.472 nan 8.150 nan 0.000 0.446 184 S N -0.800 114.508 115.700 -0.654 0.000 2.507 184 S HA 0.122 4.592 4.470 -0.000 0.000 0.235 184 S C 1.329 175.723 174.600 -0.344 0.000 0.988 184 S CA 0.803 58.565 58.200 -0.730 0.000 0.944 184 S CB -0.393 62.515 63.200 -0.488 0.000 0.762 184 S HN 0.693 nan 8.310 nan 0.000 0.526 185 G N 2.126 110.785 108.800 -0.235 0.000 3.820 185 G HA2 0.496 4.456 3.960 -0.000 0.000 0.293 185 G HA3 0.496 4.456 3.960 -0.000 0.000 0.293 185 G C 0.189 175.022 174.900 -0.113 0.000 1.152 185 G CA -0.763 44.256 45.100 -0.135 0.000 0.921 185 G HN 0.611 nan 8.290 nan 0.000 0.544 186 L N -2.372 118.765 121.223 -0.142 0.000 2.476 186 L HA 0.734 5.074 4.340 -0.000 0.000 0.264 186 L C 0.966 177.798 176.870 -0.062 0.000 1.224 186 L CA 0.000 54.779 54.840 -0.101 0.000 0.821 186 L CB 0.999 42.987 42.059 -0.117 0.000 1.101 186 L HN -0.054 nan 8.230 nan 0.000 0.488 187 G N -0.029 108.744 108.800 -0.046 0.000 3.519 187 G HA2 0.148 4.107 3.960 -0.000 0.000 0.269 187 G HA3 0.148 4.107 3.960 -0.000 0.000 0.269 187 G C 0.253 175.135 174.900 -0.031 0.000 1.028 187 G CA -0.094 44.987 45.100 -0.032 0.000 0.809 187 G HN 0.623 nan 8.290 nan 0.000 0.521 188 T N 2.417 116.949 114.554 -0.037 0.000 2.752 188 T HA 0.398 4.747 4.350 -0.000 0.000 0.295 188 T C 0.669 175.338 174.700 -0.052 0.000 0.923 188 T CA 0.062 62.134 62.100 -0.047 0.000 1.112 188 T CB 0.959 69.794 68.868 -0.055 0.000 0.884 188 T HN 0.301 nan 8.240 nan 0.000 0.525 189 T N 0.307 114.829 114.554 -0.054 0.000 2.909 189 T HA 0.637 4.987 4.350 -0.000 0.000 0.286 189 T C 0.054 174.701 174.700 -0.089 0.000 1.002 189 T CA -1.102 60.972 62.100 -0.042 0.000 1.074 189 T CB 1.350 70.209 68.868 -0.015 0.000 0.984 189 T HN 0.537 nan 8.240 nan 0.000 0.495 190 A N 3.061 125.843 122.820 -0.062 0.000 2.938 190 A HA 0.563 4.883 4.320 -0.000 0.000 0.344 190 A C 0.607 178.308 177.584 0.195 0.000 1.142 190 A CA -0.975 50.998 52.037 -0.107 0.000 0.841 190 A CB -0.451 18.355 19.000 -0.324 0.000 1.083 190 A HN 0.983 nan 8.150 nan 0.000 0.479 191 T N -0.364 114.283 114.554 0.154 0.000 2.834 191 T HA 0.369 4.719 4.350 -0.000 0.000 0.298 191 T C 0.043 174.871 174.700 0.214 0.000 0.966 191 T CA -0.442 61.763 62.100 0.175 0.000 1.141 191 T CB 0.928 69.844 68.868 0.080 0.000 0.905 191 T HN 0.469 nan 8.240 nan 0.000 0.535 192 K N 2.483 122.952 120.400 0.115 0.000 2.339 192 K HA 0.453 4.773 4.320 -0.000 0.000 0.286 192 K C -0.654 175.842 176.600 -0.173 0.000 1.050 192 K CA -0.421 55.717 56.287 -0.248 0.000 0.956 192 K CB 0.373 32.638 32.500 -0.392 0.000 0.990 192 K HN 0.573 nan 8.250 nan 0.000 0.475 193 V N 2.941 122.733 119.914 -0.203 0.000 3.158 193 V HA 0.334 4.454 4.120 -0.000 0.000 0.315 193 V C -0.809 175.225 176.094 -0.100 0.000 1.148 193 V CA -0.983 61.271 62.300 -0.077 0.000 1.042 193 V CB 1.846 33.698 31.823 0.048 0.000 1.101 193 V HN 0.946 nan 8.190 nan 0.000 0.448 194 E N 1.093 121.272 120.200 -0.036 0.000 2.328 194 E HA 0.342 4.691 4.350 -0.000 0.000 0.265 194 E C 0.872 177.494 176.600 0.036 0.000 1.057 194 E CA 1.000 57.383 56.400 -0.030 0.000 0.916 194 E CB 0.239 29.923 29.700 -0.026 0.000 0.993 194 E HN 1.206 nan 8.360 nan 0.000 0.446 195 G N 2.748 111.554 108.800 0.009 0.000 2.199 195 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.254 195 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.254 195 G C 0.432 175.399 174.900 0.113 0.000 0.982 195 G CA 0.032 45.187 45.100 0.091 0.000 0.632 195 G HN 1.079 nan 8.290 nan 0.000 0.529 196 G N -1.815 106.966 108.800 -0.033 0.000 2.485 196 G HA2 0.513 4.473 3.960 -0.000 0.000 0.182 196 G HA3 0.513 4.473 3.960 -0.000 0.000 0.182 196 G C -1.596 172.982 174.900 -0.536 0.000 1.172 196 G CA -0.002 44.919 45.100 -0.299 0.000 0.996 196 G HN 0.791 nan 8.290 nan 0.000 0.496 197 W N 0.041 121.187 121.300 -0.256 0.000 2.962 197 W HA 0.762 5.422 4.660 -0.000 0.000 0.341 197 W C -0.451 175.972 176.519 -0.160 0.000 1.155 197 W CA -0.766 56.484 57.345 -0.159 0.000 1.165 197 W CB 1.949 31.292 29.460 -0.195 0.000 1.435 197 W HN 0.078 nan 8.180 nan 0.000 0.546 198 K N 3.124 123.609 120.400 0.142 0.000 2.464 198 K HA 0.359 4.678 4.320 -0.000 0.000 0.252 198 K C -0.777 175.801 176.600 -0.035 0.000 1.000 198 K CA -0.626 55.703 56.287 0.071 0.000 0.951 198 K CB 1.068 33.623 32.500 0.091 0.000 1.183 198 K HN 0.333 nan 8.250 nan 0.000 0.445 199 I N 2.825 123.317 120.570 -0.129 0.000 2.396 199 I HA 0.187 4.356 4.170 -0.000 0.000 0.289 199 I C 0.091 176.140 176.117 -0.114 0.000 1.056 199 I CA -0.195 60.977 61.300 -0.214 0.000 1.365 199 I CB 0.197 38.000 38.000 -0.329 0.000 1.407 199 I HN 0.292 nan 8.210 nan 0.000 0.509 200 N N 4.872 123.515 118.700 -0.096 0.000 2.346 200 N HA 0.763 5.503 4.740 -0.000 0.000 0.289 200 N C 0.023 175.499 175.510 -0.058 0.000 1.027 200 N CA -0.210 52.805 53.050 -0.058 0.000 0.864 200 N CB 2.875 41.342 38.487 -0.033 0.000 1.370 200 N HN 0.932 nan 8.380 nan 0.000 0.481 201 G N 0.542 109.312 108.800 -0.049 0.000 2.343 201 G HA2 0.092 4.052 3.960 -0.000 0.000 0.289 201 G HA3 0.092 4.052 3.960 -0.000 0.000 0.289 201 G C -2.102 172.774 174.900 -0.039 0.000 1.295 201 G CA -0.642 44.432 45.100 -0.043 0.000 0.869 201 G HN 0.442 nan 8.290 nan 0.000 0.522 202 Q N -0.355 119.425 119.800 -0.034 0.000 2.397 202 Q HA 0.653 4.992 4.340 -0.000 0.000 0.275 202 Q C -1.183 174.801 176.000 -0.026 0.000 1.090 202 Q CA -0.941 54.843 55.803 -0.030 0.000 0.809 202 Q CB 1.849 30.571 28.738 -0.026 0.000 1.362 202 Q HN 0.386 nan 8.270 nan 0.000 0.431 203 K N 2.218 122.603 120.400 -0.025 0.000 2.435 203 K HA 0.569 4.889 4.320 -0.000 0.000 0.251 203 K C -1.194 175.398 176.600 -0.012 0.000 0.954 203 K CA -0.710 55.571 56.287 -0.011 0.000 0.820 203 K CB 2.474 34.965 32.500 -0.014 0.000 1.292 203 K HN 0.645 nan 8.250 nan 0.000 0.436 204 R N 0.341 120.858 120.500 0.027 0.000 2.604 204 R HA 0.275 4.615 4.340 -0.000 0.000 0.281 204 R C -0.877 175.518 176.300 0.158 0.000 1.020 204 R CA -0.195 55.898 56.100 -0.011 0.000 0.899 204 R CB 0.902 31.181 30.300 -0.035 0.000 1.205 204 R HN 0.808 nan 8.270 nan 0.000 0.450 205 W N 2.200 123.501 121.300 0.000 0.000 1.266 205 W HA -0.191 4.468 4.660 -0.000 0.000 0.245 205 W C -0.529 175.987 176.519 -0.004 0.000 1.005 205 W CA -0.314 57.031 57.345 -0.000 0.000 0.396 205 W CB -1.364 28.103 29.460 0.012 0.000 2.016 205 W HN 0.388 nan 8.180 nan 0.000 1.120 206 I N 1.819 122.488 120.570 0.166 0.000 2.505 206 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 206 I C 1.465 177.624 176.117 0.070 0.000 1.104 206 I CA 1.026 62.396 61.300 0.116 0.000 1.387 206 I CB -0.110 37.926 38.000 0.061 0.000 1.404 206 I HN 0.028 nan 8.210 nan 0.000 0.528 207 G N 4.510 113.357 108.800 0.077 0.000 2.406 207 G HA2 0.250 4.210 3.960 -0.000 0.000 0.251 207 G HA3 0.250 4.210 3.960 -0.000 0.000 0.251 207 G C 0.636 175.507 174.900 -0.049 0.000 1.271 207 G CA -0.243 44.883 45.100 0.042 0.000 0.859 207 G HN 0.782 nan 8.290 nan 0.000 0.540 208 N N -0.050 118.560 118.700 -0.151 0.000 2.967 208 N HA -0.314 4.425 4.740 -0.000 0.000 0.218 208 N C 1.975 177.076 175.510 -0.682 0.000 0.870 208 N CA 1.825 54.499 53.050 -0.628 0.000 1.030 208 N CB -1.419 36.785 38.487 -0.472 0.000 1.027 208 N HN 0.810 nan 8.380 nan 0.000 0.603 209 S N -0.102 115.431 115.700 -0.279 0.000 2.392 209 S HA -0.235 4.234 4.470 -0.000 0.000 0.232 209 S C 1.967 176.481 174.600 -0.144 0.000 1.041 209 S CA 2.343 60.439 58.200 -0.174 0.000 1.026 209 S CB -1.176 61.979 63.200 -0.076 0.000 0.845 209 S HN 0.652 nan 8.310 nan 0.000 0.465 210 T N -0.742 113.756 114.554 -0.093 0.000 3.007 210 T HA 0.055 4.405 4.350 -0.000 0.000 0.270 210 T C 1.128 175.925 174.700 0.163 0.000 1.107 210 T CA 0.872 63.007 62.100 0.057 0.000 1.118 210 T CB -0.748 68.209 68.868 0.148 0.000 0.889 210 T HN 0.809 nan 8.240 nan 0.000 0.506 211 F N -0.363 119.627 119.950 0.066 0.000 2.915 211 F HA 0.800 5.326 4.527 -0.000 0.000 0.347 211 F C 0.396 176.250 175.800 0.090 0.000 1.104 211 F CA -1.713 56.340 58.000 0.089 0.000 1.126 211 F CB -0.183 38.926 39.000 0.183 0.000 1.145 211 F HN 0.163 nan 8.300 nan 0.000 0.541 212 A N 1.264 123.920 122.820 -0.273 0.000 2.440 212 A HA 0.307 4.627 4.320 -0.000 0.000 0.251 212 A C 0.443 178.024 177.584 -0.005 0.000 1.089 212 A CA 0.181 52.123 52.037 -0.158 0.000 0.779 212 A CB 0.010 18.883 19.000 -0.212 0.000 1.022 212 A HN 0.453 nan 8.150 nan 0.000 0.492 213 D N 0.678 121.109 120.400 0.053 0.000 2.162 213 D HA 0.109 4.749 4.640 -0.000 0.000 0.203 213 D C -0.199 176.106 176.300 0.008 0.000 0.967 213 D CA 0.970 55.006 54.000 0.059 0.000 0.840 213 D CB -0.064 40.797 40.800 0.102 0.000 0.972 213 D HN 0.346 nan 8.370 nan 0.000 0.482 214 L N 0.626 121.834 121.223 -0.024 0.000 2.322 214 L HA 0.397 4.736 4.340 -0.000 0.000 0.281 214 L C -1.171 175.645 176.870 -0.088 0.000 1.014 214 L CA -0.456 54.327 54.840 -0.096 0.000 0.815 214 L CB 1.794 43.753 42.059 -0.168 0.000 1.247 214 L HN -0.108 nan 8.230 nan 0.000 0.421 215 L N 5.265 126.430 121.223 -0.098 0.000 2.337 215 L HA 0.440 4.779 4.340 -0.000 0.000 0.269 215 L C -0.171 176.635 176.870 -0.107 0.000 1.018 215 L CA 0.080 54.870 54.840 -0.082 0.000 0.876 215 L CB 0.889 42.907 42.059 -0.069 0.000 1.236 215 L HN 0.416 nan 8.230 nan 0.000 0.436 216 I N 4.480 124.990 120.570 -0.099 0.000 2.349 216 I HA 0.111 4.281 4.170 -0.000 0.000 0.302 216 I C 0.005 175.981 176.117 -0.235 0.000 1.180 216 I CA 0.353 61.548 61.300 -0.174 0.000 1.405 216 I CB -0.220 37.729 38.000 -0.085 0.000 1.474 216 I HN 0.437 nan 8.210 nan 0.000 0.632 217 I N 5.723 126.164 120.570 -0.216 0.000 2.331 217 I HA 0.242 4.411 4.170 -0.000 0.000 0.292 217 I C -0.215 175.783 176.117 -0.198 0.000 0.998 217 I CA -0.416 60.795 61.300 -0.149 0.000 1.267 217 I CB 0.829 38.767 38.000 -0.105 0.000 1.386 217 I HN 0.241 nan 8.210 nan 0.000 0.476 218 F N 5.199 125.040 119.950 -0.182 0.000 2.411 218 F HA 0.624 5.151 4.527 -0.000 0.000 0.350 218 F C 0.605 176.368 175.800 -0.062 0.000 1.114 218 F CA -0.135 57.793 58.000 -0.119 0.000 1.135 218 F CB 1.240 40.105 39.000 -0.225 0.000 1.120 218 F HN 0.448 nan 8.300 nan 0.000 0.495 219 A N 3.770 126.686 122.820 0.161 0.000 2.532 219 A HA 0.757 5.077 4.320 -0.000 0.000 0.290 219 A C -0.919 176.714 177.584 0.083 0.000 1.143 219 A CA -1.037 51.029 52.037 0.048 0.000 0.728 219 A CB 1.438 20.341 19.000 -0.162 0.000 1.317 219 A HN 0.705 nan 8.150 nan 0.000 0.414 220 R N 1.586 122.098 120.500 0.020 0.000 2.196 220 R HA 0.138 4.477 4.340 -0.000 0.000 0.340 220 R C -0.363 175.963 176.300 0.043 0.000 1.043 220 R CA -0.453 55.665 56.100 0.031 0.000 0.883 220 R CB 0.267 30.573 30.300 0.010 0.000 1.078 220 R HN 0.749 nan 8.270 nan 0.000 0.462 221 N N 2.952 121.688 118.700 0.061 0.000 2.411 221 N HA -0.084 4.656 4.740 -0.000 0.000 0.282 221 N C 0.707 176.297 175.510 0.132 0.000 1.322 221 N CA 0.471 53.584 53.050 0.106 0.000 0.943 221 N CB 0.996 39.527 38.487 0.072 0.000 1.266 221 N HN 0.676 nan 8.380 nan 0.000 0.486 222 T N 0.208 114.854 114.554 0.153 0.000 2.929 222 T HA -0.125 4.224 4.350 -0.000 0.000 0.271 222 T C 1.519 176.283 174.700 0.107 0.000 1.085 222 T CA 1.547 63.712 62.100 0.109 0.000 1.125 222 T CB -0.182 68.744 68.868 0.097 0.000 0.874 222 T HN 0.398 nan 8.240 nan 0.000 0.494 223 T N 2.305 116.948 114.554 0.149 0.000 2.809 223 T HA -0.031 4.319 4.350 -0.000 0.000 0.260 223 T C 2.332 177.088 174.700 0.093 0.000 1.039 223 T CA 1.645 63.816 62.100 0.117 0.000 1.141 223 T CB -0.580 68.371 68.868 0.139 0.000 0.869 223 T HN 0.763 nan 8.240 nan 0.000 0.437 224 T N -0.800 113.816 114.554 0.104 0.000 3.044 224 T HA 0.153 4.502 4.350 -0.000 0.000 0.250 224 T C 1.022 175.756 174.700 0.057 0.000 1.081 224 T CA 0.100 62.245 62.100 0.074 0.000 1.040 224 T CB -0.248 68.665 68.868 0.075 0.000 0.962 224 T HN 0.278 nan 8.240 nan 0.000 0.506 225 N N 1.198 119.934 118.700 0.059 0.000 2.741 225 N HA -0.141 4.598 4.740 -0.000 0.000 0.250 225 N C -0.771 174.761 175.510 0.037 0.000 1.115 225 N CA 0.696 53.772 53.050 0.042 0.000 0.724 225 N CB -0.632 37.873 38.487 0.031 0.000 1.090 225 N HN 0.585 nan 8.380 nan 0.000 0.558 226 Q N -0.152 119.675 119.800 0.045 0.000 2.418 226 Q HA 0.521 4.860 4.340 -0.000 0.000 0.276 226 Q C 0.040 176.070 176.000 0.049 0.000 1.081 226 Q CA -0.639 55.191 55.803 0.045 0.000 0.864 226 Q CB 1.075 29.840 28.738 0.045 0.000 1.384 226 Q HN 0.217 nan 8.270 nan 0.000 0.467 227 I N 1.455 122.069 120.570 0.074 0.000 2.342 227 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 227 I C -0.242 175.918 176.117 0.072 0.000 1.010 227 I CA -0.041 61.324 61.300 0.109 0.000 1.308 227 I CB 0.474 38.587 38.000 0.189 0.000 1.400 227 I HN 0.319 nan 8.210 nan 0.000 0.488 228 N N 2.800 121.500 118.700 -0.000 0.000 2.328 228 N HA 0.746 5.486 4.740 -0.000 0.000 0.299 228 N C -0.315 174.897 175.510 -0.497 0.000 1.179 228 N CA -0.625 52.254 53.050 -0.286 0.000 0.793 228 N CB 1.954 40.113 38.487 -0.546 0.000 1.366 228 N HN 0.707 nan 8.380 nan 0.000 0.493 229 G N 0.250 108.568 108.800 -0.804 0.000 2.348 229 G HA2 0.627 4.587 3.960 -0.000 0.000 0.312 229 G HA3 0.627 4.587 3.960 -0.000 0.000 0.312 229 G C -1.292 172.945 174.900 -1.106 0.000 1.126 229 G CA -0.169 44.343 45.100 -0.980 0.000 0.865 229 G HN 0.335 nan 8.290 nan 0.000 0.474 230 F N 0.933 120.545 119.950 -0.564 0.000 2.547 230 F HA 0.418 4.945 4.527 -0.000 0.000 0.316 230 F C 0.171 175.760 175.800 -0.352 0.000 1.121 230 F CA -0.807 56.942 58.000 -0.418 0.000 0.911 230 F CB 2.357 41.120 39.000 -0.396 0.000 1.179 230 F HN 0.217 nan 8.300 nan 0.000 0.443 231 I N 4.363 124.852 120.570 -0.134 0.000 2.281 231 I HA 0.256 4.426 4.170 -0.000 0.000 0.293 231 I C -0.670 175.374 176.117 -0.121 0.000 1.085 231 I CA -0.511 60.677 61.300 -0.186 0.000 1.257 231 I CB 0.464 38.285 38.000 -0.299 0.000 1.430 231 I HN 0.222 nan 8.210 nan 0.000 0.489 232 V N 7.346 127.195 119.914 -0.108 0.000 2.383 232 V HA 0.267 4.387 4.120 -0.000 0.000 0.275 232 V C 0.560 176.614 176.094 -0.067 0.000 1.036 232 V CA -0.909 61.347 62.300 -0.074 0.000 0.889 232 V CB 1.116 32.895 31.823 -0.074 0.000 0.985 232 V HN 0.544 nan 8.190 nan 0.000 0.459 233 K N 3.316 123.698 120.400 -0.031 0.000 2.168 233 K HA 0.275 4.595 4.320 -0.000 0.000 0.258 233 K C 0.172 176.774 176.600 0.004 0.000 1.010 233 K CA -0.516 55.767 56.287 -0.006 0.000 0.929 233 K CB 0.911 33.433 32.500 0.036 0.000 0.998 233 K HN 0.547 nan 8.250 nan 0.000 0.479 234 K N 1.288 121.698 120.400 0.017 0.000 2.319 234 K HA -0.114 4.206 4.320 -0.000 0.000 0.265 234 K C -0.288 176.330 176.600 0.030 0.000 1.000 234 K CA 0.429 56.730 56.287 0.024 0.000 0.943 234 K CB 0.328 32.853 32.500 0.042 0.000 0.950 234 K HN 0.527 nan 8.250 nan 0.000 0.485 235 D N -0.514 119.902 120.400 0.026 0.000 3.006 235 D HA -0.215 4.425 4.640 -0.000 0.000 0.208 235 D C -0.388 175.928 176.300 0.028 0.000 1.116 235 D CA 1.409 55.425 54.000 0.027 0.000 0.998 235 D CB -1.209 39.610 40.800 0.032 0.000 1.124 235 D HN 0.717 nan 8.370 nan 0.000 0.413 236 A N 0.967 123.805 122.820 0.029 0.000 2.584 236 A HA 0.284 4.604 4.320 -0.000 0.000 0.239 236 A C -1.957 175.647 177.584 0.034 0.000 1.043 236 A CA -0.298 51.762 52.037 0.039 0.000 0.756 236 A CB 0.088 19.111 19.000 0.039 0.000 0.963 236 A HN -0.066 nan 8.150 nan 0.000 0.511 237 P HA 0.238 nan 4.420 nan 0.000 0.261 237 P C 1.091 178.408 177.300 0.028 0.000 1.183 237 P CA 1.823 64.941 63.100 0.030 0.000 0.761 237 P CB 0.536 32.254 31.700 0.030 0.000 0.785 238 G N 1.833 110.642 108.800 0.015 0.000 2.213 238 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.236 238 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.236 238 G C -0.318 174.581 174.900 -0.001 0.000 0.991 238 G CA -0.137 44.967 45.100 0.008 0.000 0.629 238 G HN 0.608 nan 8.290 nan 0.000 0.517 239 L N 0.950 122.173 121.223 0.000 0.000 2.289 239 L HA 0.865 5.205 4.340 -0.000 0.000 0.285 239 L C -0.094 176.772 176.870 -0.007 0.000 1.049 239 L CA -0.673 54.162 54.840 -0.008 0.000 0.804 239 L CB 1.368 43.422 42.059 -0.009 0.000 1.195 239 L HN 0.140 nan 8.230 nan 0.000 0.428 240 K N 4.576 124.969 120.400 -0.013 0.000 2.668 240 K HA 0.718 5.037 4.320 -0.000 0.000 0.246 240 K C -1.681 174.909 176.600 -0.017 0.000 0.976 240 K CA -0.437 55.843 56.287 -0.011 0.000 0.902 240 K CB 1.386 33.880 32.500 -0.011 0.000 1.172 240 K HN 0.778 nan 8.250 nan 0.000 0.452 241 A N 2.822 125.634 122.820 -0.013 0.000 2.267 241 A HA 0.446 4.765 4.320 -0.000 0.000 0.315 241 A C -0.248 177.329 177.584 -0.010 0.000 1.297 241 A CA -0.551 51.475 52.037 -0.018 0.000 0.865 241 A CB 0.586 19.574 19.000 -0.021 0.000 1.165 241 A HN 0.642 nan 8.150 nan 0.000 0.513 242 T N 0.094 114.634 114.554 -0.024 0.000 2.859 242 T HA 0.500 4.850 4.350 -0.000 0.000 0.281 242 T C -0.104 174.576 174.700 -0.034 0.000 1.005 242 T CA -0.843 61.244 62.100 -0.022 0.000 1.025 242 T CB 1.210 70.059 68.868 -0.031 0.000 0.977 242 T HN 0.641 nan 8.240 nan 0.000 0.458 243 K N 2.639 123.031 120.400 -0.014 0.000 2.451 243 K HA 0.194 4.513 4.320 -0.000 0.000 0.280 243 K C -0.432 176.127 176.600 -0.068 0.000 1.020 243 K CA -0.379 55.898 56.287 -0.017 0.000 1.008 243 K CB 0.165 32.678 32.500 0.022 0.000 0.917 243 K HN 0.632 nan 8.250 nan 0.000 0.478 244 I N 8.084 128.586 120.570 -0.113 0.000 2.337 244 I HA 0.177 4.347 4.170 -0.000 0.000 0.291 244 I C -1.750 174.295 176.117 -0.121 0.000 1.046 244 I CA -1.949 59.238 61.300 -0.188 0.000 1.324 244 I CB 1.013 38.780 38.000 -0.389 0.000 1.409 244 I HN 0.614 nan 8.210 nan 0.000 0.494 245 P HA 0.361 nan 4.420 nan 0.000 0.286 245 P C -0.779 176.490 177.300 -0.052 0.000 1.292 245 P CA -0.455 62.608 63.100 -0.060 0.000 0.842 245 P CB 0.815 32.488 31.700 -0.046 0.000 1.207 246 N N -2.624 116.052 118.700 -0.040 0.000 2.776 246 N HA -0.135 4.605 4.740 -0.000 0.000 0.250 246 N C -0.575 174.933 175.510 -0.003 0.000 1.112 246 N CA 0.841 53.877 53.050 -0.024 0.000 0.733 246 N CB -1.975 36.506 38.487 -0.011 0.000 1.097 246 N HN 0.562 nan 8.380 nan 0.000 0.558 247 K N 0.751 121.146 120.400 -0.010 0.000 2.270 247 K HA 0.284 4.603 4.320 -0.000 0.000 0.276 247 K C 1.977 178.563 176.600 -0.024 0.000 1.023 247 K CA -0.173 56.134 56.287 0.034 0.000 0.955 247 K CB 0.843 33.381 32.500 0.063 0.000 0.975 247 K HN 0.285 nan 8.250 nan 0.000 0.471 248 I N -1.759 118.835 120.570 0.039 0.000 3.427 248 I HA 0.192 4.362 4.170 -0.000 0.000 0.288 248 I C 0.734 176.942 176.117 0.151 0.000 1.249 248 I CA 0.001 61.339 61.300 0.063 0.000 1.421 248 I CB 0.447 38.508 38.000 0.102 0.000 1.086 248 I HN 0.435 nan 8.210 nan 0.000 0.448 249 G N 0.748 109.636 108.800 0.147 0.000 2.569 249 G HA2 0.591 4.550 3.960 -0.000 0.000 0.300 249 G HA3 0.591 4.550 3.960 -0.000 0.000 0.300 249 G C -0.173 174.854 174.900 0.212 0.000 1.269 249 G CA -0.989 44.277 45.100 0.276 0.000 0.959 249 G HN 0.283 nan 8.290 nan 0.000 0.478 250 L N -0.238 121.189 121.223 0.340 0.000 3.854 250 L HA -0.240 4.100 4.340 -0.000 0.000 0.460 250 L C 2.064 179.004 176.870 0.117 0.000 1.228 250 L CA -0.014 54.987 54.840 0.269 0.000 0.760 250 L CB -0.832 41.336 42.059 0.182 0.000 1.597 250 L HN 0.695 nan 8.230 nan 0.000 0.852 251 R N -0.018 120.423 120.500 -0.099 0.000 2.148 251 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 251 R C 2.070 178.297 176.300 -0.121 0.000 1.088 251 R CA 1.491 57.388 56.100 -0.338 0.000 0.985 251 R CB -0.065 29.635 30.300 -1.001 0.000 0.880 251 R HN 0.517 nan 8.270 nan 0.000 0.451 252 M N 0.369 119.981 119.600 0.020 0.000 2.319 252 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 252 M C 0.274 176.723 176.300 0.249 0.000 1.068 252 M CA 0.660 56.036 55.300 0.126 0.000 1.118 252 M CB 0.449 33.117 32.600 0.113 0.000 1.395 252 M HN -0.171 nan 8.290 nan 0.000 0.435 253 V N 2.758 122.812 119.914 0.235 0.000 2.458 253 V HA -0.073 4.047 4.120 -0.000 0.000 0.287 253 V C 0.402 176.611 176.094 0.191 0.000 1.009 253 V CA 0.073 62.525 62.300 0.254 0.000 1.091 253 V CB -0.114 31.829 31.823 0.201 0.000 0.960 253 V HN 0.277 nan 8.190 nan 0.000 0.476 254 Q N 4.550 124.477 119.800 0.211 0.000 2.513 254 Q HA 0.211 4.551 4.340 -0.000 0.000 0.227 254 Q C -0.096 175.968 176.000 0.107 0.000 1.257 254 Q CA 0.061 55.975 55.803 0.185 0.000 0.915 254 Q CB -0.058 28.878 28.738 0.330 0.000 1.507 254 Q HN 0.642 nan 8.270 nan 0.000 0.543 255 N N 0.817 119.568 118.700 0.085 0.000 2.518 255 N HA 0.531 5.271 4.740 -0.000 0.000 0.283 255 N C 0.005 175.500 175.510 -0.025 0.000 1.119 255 N CA 0.073 53.158 53.050 0.060 0.000 0.983 255 N CB 1.791 40.366 38.487 0.146 0.000 1.139 255 N HN 0.469 nan 8.380 nan 0.000 0.465 256 G N 0.305 109.076 108.800 -0.047 0.000 2.660 256 G HA2 0.263 4.223 3.960 -0.000 0.000 0.294 256 G HA3 0.263 4.223 3.960 -0.000 0.000 0.294 256 G C -1.419 173.414 174.900 -0.111 0.000 1.369 256 G CA -0.572 44.477 45.100 -0.084 0.000 0.912 256 G HN 0.344 nan 8.290 nan 0.000 0.479 257 D N 0.754 121.080 120.400 -0.123 0.000 2.280 257 D HA 0.305 4.945 4.640 -0.000 0.000 0.243 257 D C -0.012 176.249 176.300 -0.065 0.000 1.129 257 D CA 0.287 54.221 54.000 -0.110 0.000 0.848 257 D CB 2.285 43.012 40.800 -0.122 0.000 1.107 257 D HN 0.149 nan 8.370 nan 0.000 0.471 258 I N 2.728 123.268 120.570 -0.051 0.000 2.336 258 I HA 0.232 4.401 4.170 -0.000 0.000 0.292 258 I C 0.101 176.195 176.117 -0.038 0.000 0.991 258 I CA -0.587 60.690 61.300 -0.040 0.000 1.227 258 I CB 1.327 39.306 38.000 -0.036 0.000 1.366 258 I HN 0.114 nan 8.210 nan 0.000 0.466 259 L N 7.296 128.498 121.223 -0.034 0.000 2.325 259 L HA 0.580 4.919 4.340 -0.000 0.000 0.278 259 L C -0.893 175.958 176.870 -0.032 0.000 1.023 259 L CA -0.707 54.114 54.840 -0.031 0.000 0.811 259 L CB 1.641 43.684 42.059 -0.027 0.000 1.249 259 L HN 0.452 nan 8.230 nan 0.000 0.431 260 L N 4.095 125.297 121.223 -0.035 0.000 2.415 260 L HA 0.431 4.771 4.340 -0.000 0.000 0.268 260 L C -0.887 175.964 176.870 -0.031 0.000 0.984 260 L CA -0.332 54.484 54.840 -0.039 0.000 0.853 260 L CB 1.737 43.760 42.059 -0.060 0.000 1.215 260 L HN 0.556 nan 8.230 nan 0.000 0.419 261 Q N 3.412 123.200 119.800 -0.020 0.000 2.363 261 Q HA 0.329 4.669 4.340 -0.000 0.000 0.265 261 Q C -0.409 175.591 176.000 -0.000 0.000 1.032 261 Q CA -0.738 55.058 55.803 -0.011 0.000 0.746 261 Q CB 1.465 30.198 28.738 -0.008 0.000 1.237 261 Q HN 0.466 nan 8.270 nan 0.000 0.475 262 N N 0.624 119.325 118.700 0.002 0.000 2.714 262 N HA -0.156 4.584 4.740 -0.000 0.000 0.252 262 N C -0.948 174.592 175.510 0.049 0.000 1.014 262 N CA 0.526 53.591 53.050 0.025 0.000 0.735 262 N CB -0.853 37.651 38.487 0.027 0.000 0.924 262 N HN 0.286 nan 8.380 nan 0.000 0.540 263 V N 1.688 121.616 119.914 0.023 0.000 2.415 263 V HA 0.087 4.207 4.120 -0.000 0.000 0.267 263 V C 0.768 176.906 176.094 0.073 0.000 1.042 263 V CA -0.421 61.901 62.300 0.037 0.000 1.000 263 V CB -0.063 31.749 31.823 -0.019 0.000 1.015 263 V HN 0.211 nan 8.190 nan 0.000 0.478 264 F N 6.616 126.561 119.950 -0.007 0.000 2.456 264 F HA 0.486 5.013 4.527 -0.000 0.000 0.358 264 F C 0.046 175.871 175.800 0.043 0.000 1.095 264 F CA -0.061 57.951 58.000 0.020 0.000 1.216 264 F CB 0.903 39.915 39.000 0.020 0.000 1.125 264 F HN 0.246 nan 8.300 nan 0.000 0.549 265 V N 8.347 127.853 119.914 -0.681 0.000 2.409 265 V HA 0.330 4.450 4.120 -0.000 0.000 0.290 265 V C -2.151 173.521 176.094 -0.704 0.000 1.017 265 V CA -1.781 60.239 62.300 -0.467 0.000 0.841 265 V CB 1.425 33.179 31.823 -0.114 0.000 1.003 265 V HN 0.645 nan 8.190 nan 0.000 0.426 266 P HA 0.128 nan 4.420 nan 0.000 0.269 266 P C 0.245 177.555 177.300 0.017 0.000 1.215 266 P CA -0.021 62.926 63.100 -0.255 0.000 0.780 266 P CB 1.126 32.868 31.700 0.069 0.000 0.898 267 D N 1.293 121.733 120.400 0.066 0.000 2.228 267 D HA -0.199 4.441 4.640 -0.000 0.000 0.203 267 D C 1.672 178.054 176.300 0.137 0.000 0.988 267 D CA 1.539 55.630 54.000 0.151 0.000 0.864 267 D CB -0.110 40.731 40.800 0.067 0.000 0.928 267 D HN 0.653 nan 8.370 nan 0.000 0.469 268 E N 0.128 120.385 120.200 0.096 0.000 2.274 268 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 268 E C 0.734 177.383 176.600 0.081 0.000 0.996 268 E CA 0.842 57.291 56.400 0.081 0.000 0.840 268 E CB 0.045 29.792 29.700 0.078 0.000 0.772 268 E HN 0.024 nan 8.360 nan 0.000 0.491 269 D N 0.596 121.045 120.400 0.081 0.000 2.363 269 D HA 0.068 4.708 4.640 -0.000 0.000 0.214 269 D C -0.152 176.133 176.300 -0.025 0.000 1.093 269 D CA -0.003 54.027 54.000 0.050 0.000 0.837 269 D CB 0.152 40.981 40.800 0.048 0.000 0.948 269 D HN 0.063 nan 8.370 nan 0.000 0.507 270 R N 1.196 121.676 120.500 -0.033 0.000 2.308 270 R HA 0.289 4.629 4.340 -0.000 0.000 0.305 270 R C -0.213 175.915 176.300 -0.286 0.000 1.053 270 R CA -0.498 55.435 56.100 -0.279 0.000 0.957 270 R CB 0.672 30.823 30.300 -0.248 0.000 1.022 270 R HN -0.020 nan 8.270 nan 0.000 0.461 271 L N 7.934 128.899 121.223 -0.429 0.000 2.433 271 L HA 0.150 4.489 4.340 -0.000 0.000 0.275 271 L C -1.171 175.539 176.870 -0.267 0.000 1.128 271 L CA -1.290 53.366 54.840 -0.307 0.000 0.875 271 L CB 1.008 42.864 42.059 -0.339 0.000 1.171 271 L HN 0.521 nan 8.230 nan 0.000 0.463 272 P HA -0.059 nan 4.420 nan 0.000 0.229 272 P C 1.269 178.513 177.300 -0.093 0.000 1.160 272 P CA 0.757 63.793 63.100 -0.105 0.000 0.777 272 P CB 0.381 32.047 31.700 -0.056 0.000 0.814 273 G N 0.401 109.143 108.800 -0.097 0.000 2.408 273 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.215 273 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.215 273 G C 0.592 175.451 174.900 -0.068 0.000 1.156 273 G CA 0.131 45.190 45.100 -0.068 0.000 0.793 273 G HN 0.179 nan 8.290 nan 0.000 0.535 274 V N 2.397 122.247 119.914 -0.107 0.000 2.326 274 V HA 0.166 4.286 4.120 -0.000 0.000 0.249 274 V C 0.799 176.827 176.094 -0.110 0.000 1.114 274 V CA -0.344 61.905 62.300 -0.084 0.000 1.028 274 V CB 0.526 32.283 31.823 -0.110 0.000 1.170 274 V HN 0.151 nan 8.190 nan 0.000 0.494 275 N N 2.130 120.798 118.700 -0.054 0.000 2.333 275 N HA 0.018 4.758 4.740 -0.000 0.000 0.183 275 N C 1.009 176.521 175.510 0.003 0.000 1.030 275 N CA 0.958 53.986 53.050 -0.037 0.000 0.867 275 N CB 0.342 38.819 38.487 -0.017 0.000 1.027 275 N HN 0.733 nan 8.380 nan 0.000 0.435 276 S N -1.347 114.371 115.700 0.030 0.000 2.715 276 S HA 0.331 4.801 4.470 -0.000 0.000 0.307 276 S C 0.576 175.254 174.600 0.131 0.000 1.119 276 S CA -0.709 57.538 58.200 0.079 0.000 0.937 276 S CB 0.844 64.082 63.200 0.063 0.000 1.150 276 S HN 0.087 nan 8.310 nan 0.000 0.521 277 F N 1.341 121.297 119.950 0.010 0.000 2.365 277 F HA 0.030 4.557 4.527 -0.000 0.000 0.300 277 F C 2.372 178.174 175.800 0.003 0.000 1.090 277 F CA 1.326 59.331 58.000 0.007 0.000 1.408 277 F CB -0.542 38.444 39.000 -0.023 0.000 1.060 277 F HN 0.686 nan 8.300 nan 0.000 0.534 278 Q N -0.201 119.563 119.800 -0.060 0.000 2.226 278 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 278 Q C 1.573 177.479 176.000 -0.158 0.000 0.975 278 Q CA 1.496 57.218 55.803 -0.136 0.000 0.866 278 Q CB -0.246 28.465 28.738 -0.045 0.000 0.915 278 Q HN 0.427 nan 8.270 nan 0.000 0.440 279 D N -0.167 120.172 120.400 -0.101 0.000 2.178 279 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 279 D C 1.689 177.940 176.300 -0.082 0.000 0.974 279 D CA 1.158 55.117 54.000 -0.067 0.000 0.841 279 D CB -0.112 40.674 40.800 -0.023 0.000 0.953 279 D HN 0.176 nan 8.370 nan 0.000 0.478 280 T N 0.294 114.758 114.554 -0.150 0.000 2.833 280 T HA -0.076 4.274 4.350 -0.000 0.000 0.269 280 T C 1.582 176.144 174.700 -0.230 0.000 1.054 280 T CA 0.707 62.719 62.100 -0.146 0.000 1.135 280 T CB -0.121 68.567 68.868 -0.300 0.000 0.869 280 T HN -0.039 nan 8.240 nan 0.000 0.466 281 S N 1.127 116.618 115.700 -0.349 0.000 3.048 281 S HA 0.083 4.553 4.470 -0.000 0.000 0.254 281 S C 1.269 175.787 174.600 -0.136 0.000 1.084 281 S CA 0.184 58.229 58.200 -0.259 0.000 1.195 281 S CB -0.139 62.895 63.200 -0.277 0.000 0.870 281 S HN 0.358 nan 8.310 nan 0.000 0.483 282 K N -0.634 119.706 120.400 -0.100 0.000 2.511 282 K HA 0.232 4.552 4.320 -0.000 0.000 0.206 282 K C 1.557 178.132 176.600 -0.043 0.000 1.333 282 K CA 0.324 56.584 56.287 -0.046 0.000 0.957 282 K CB -0.300 32.182 32.500 -0.029 0.000 1.172 282 K HN 0.227 nan 8.250 nan 0.000 0.547 283 V N 2.307 122.183 119.914 -0.063 0.000 2.407 283 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 283 V C 2.356 178.345 176.094 -0.175 0.000 1.041 283 V CA 1.314 63.557 62.300 -0.096 0.000 1.040 283 V CB -0.471 31.323 31.823 -0.049 0.000 0.671 283 V HN 0.103 nan 8.190 nan 0.000 0.455 284 L N 0.416 121.534 121.223 -0.174 0.000 2.187 284 L HA -0.168 4.172 4.340 -0.000 0.000 0.213 284 L C 2.694 179.462 176.870 -0.170 0.000 1.100 284 L CA 1.363 56.085 54.840 -0.197 0.000 0.765 284 L CB -0.770 41.199 42.059 -0.149 0.000 0.904 284 L HN 0.370 nan 8.230 nan 0.000 0.437 285 A N -0.378 122.362 122.820 -0.133 0.000 1.978 285 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 285 A C 2.254 179.690 177.584 -0.246 0.000 1.170 285 A CA 1.944 53.912 52.037 -0.114 0.000 0.636 285 A CB -0.571 18.427 19.000 -0.003 0.000 0.810 285 A HN 0.247 nan 8.150 nan 0.000 0.448 286 V N -1.320 118.412 119.914 -0.304 0.000 2.500 286 V HA -0.093 4.026 4.120 -0.000 0.000 0.243 286 V C 2.632 178.544 176.094 -0.304 0.000 1.039 286 V CA 1.779 63.818 62.300 -0.435 0.000 1.053 286 V CB -0.589 31.013 31.823 -0.368 0.000 0.695 286 V HN 0.603 nan 8.190 nan 0.000 0.463 287 S N -0.040 115.502 115.700 -0.264 0.000 2.383 287 S HA -0.252 4.218 4.470 -0.000 0.000 0.229 287 S C 2.221 176.707 174.600 -0.191 0.000 1.030 287 S CA 1.918 59.970 58.200 -0.247 0.000 1.002 287 S CB -0.278 62.721 63.200 -0.334 0.000 0.829 287 S HN 0.511 nan 8.310 nan 0.000 0.467 288 R N -0.024 120.370 120.500 -0.177 0.000 2.090 288 R HA 0.010 4.349 4.340 -0.000 0.000 0.228 288 R C 2.115 178.352 176.300 -0.106 0.000 1.110 288 R CA 1.335 57.352 56.100 -0.137 0.000 0.973 288 R CB -0.285 29.945 30.300 -0.117 0.000 0.869 288 R HN 0.362 nan 8.270 nan 0.000 0.440 289 V N 0.728 120.568 119.914 -0.123 0.000 2.358 289 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 289 V C 2.238 178.356 176.094 0.040 0.000 1.047 289 V CA 1.583 63.848 62.300 -0.060 0.000 1.035 289 V CB -0.299 31.423 31.823 -0.167 0.000 0.658 289 V HN 0.318 nan 8.190 nan 0.000 0.452 290 M N -0.580 118.986 119.600 -0.056 0.000 2.156 290 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 290 M C 1.984 178.313 176.300 0.049 0.000 1.067 290 M CA 1.518 56.806 55.300 -0.021 0.000 1.131 290 M CB -0.410 32.128 32.600 -0.102 0.000 1.368 290 M HN 0.133 nan 8.290 nan 0.000 0.416 291 V N -0.005 119.896 119.914 -0.021 0.000 2.407 291 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 291 V C 2.427 178.506 176.094 -0.024 0.000 1.055 291 V CA 1.744 64.013 62.300 -0.052 0.000 1.049 291 V CB -1.395 30.317 31.823 -0.185 0.000 0.662 291 V HN 0.572 nan 8.190 nan 0.000 0.455 292 A N -1.528 121.286 122.820 -0.010 0.000 2.076 292 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 292 A C 1.832 179.391 177.584 -0.043 0.000 1.160 292 A CA 1.736 53.755 52.037 -0.031 0.000 0.653 292 A CB -0.767 18.211 19.000 -0.036 0.000 0.801 292 A HN 0.715 nan 8.150 nan 0.000 0.455 293 W N -0.173 121.086 121.300 -0.068 0.000 3.003 293 W HA 0.094 4.753 4.660 -0.001 0.000 0.257 293 W C 2.382 178.896 176.519 -0.009 0.000 1.308 293 W CA 0.712 58.024 57.345 -0.054 0.000 1.529 293 W CB 0.054 29.468 29.460 -0.077 0.000 1.115 293 W HN 0.440 nan 8.180 nan 0.000 0.659 294 Q N 0.320 120.222 119.800 0.170 0.000 2.020 294 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 294 Q C -0.414 175.649 176.000 0.105 0.000 0.982 294 Q CA 1.662 57.549 55.803 0.140 0.000 0.838 294 Q CB -1.586 27.224 28.738 0.119 0.000 0.899 294 Q HN 0.135 nan 8.270 nan 0.000 0.423 295 P HA -0.161 nan 4.420 nan 0.000 0.215 295 P C 1.081 178.402 177.300 0.034 0.000 1.153 295 P CA 1.189 64.312 63.100 0.039 0.000 0.853 295 P CB -0.106 31.597 31.700 0.004 0.000 0.788 296 I N -0.711 119.847 120.570 -0.021 0.000 2.151 296 I HA -0.247 3.922 4.170 -0.000 0.000 0.243 296 I C 2.510 178.693 176.117 0.109 0.000 1.080 296 I CA 2.030 63.306 61.300 -0.040 0.000 1.339 296 I CB -1.373 36.431 38.000 -0.327 0.000 1.039 296 I HN 0.027 nan 8.210 nan 0.000 0.409 297 G N 1.139 110.041 108.800 0.170 0.000 2.434 297 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.214 297 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.214 297 G C 1.674 176.682 174.900 0.180 0.000 1.202 297 G CA 0.743 45.969 45.100 0.210 0.000 0.788 297 G HN 0.308 nan 8.290 nan 0.000 0.539 298 I N 1.160 121.820 120.570 0.151 0.000 2.118 298 I HA -0.250 3.920 4.170 -0.000 0.000 0.241 298 I C 3.071 179.276 176.117 0.146 0.000 1.070 298 I CA 1.560 62.946 61.300 0.143 0.000 1.327 298 I CB -0.307 37.764 38.000 0.118 0.000 1.034 298 I HN 0.104 nan 8.210 nan 0.000 0.405 299 S N 0.287 116.061 115.700 0.125 0.000 2.382 299 S HA -0.172 4.298 4.470 -0.000 0.000 0.228 299 S C 1.999 176.697 174.600 0.164 0.000 1.027 299 S CA 1.392 59.665 58.200 0.122 0.000 0.991 299 S CB -0.270 62.980 63.200 0.083 0.000 0.823 299 S HN 0.345 nan 8.310 nan 0.000 0.469 300 M N 0.935 120.642 119.600 0.178 0.000 2.080 300 M HA -0.099 4.380 4.480 -0.000 0.000 0.260 300 M C 2.566 179.019 176.300 0.254 0.000 1.068 300 M CA 1.690 57.118 55.300 0.212 0.000 1.109 300 M CB -1.108 31.626 32.600 0.224 0.000 1.342 300 M HN 0.487 nan 8.290 nan 0.000 0.405 301 G N 0.670 109.625 108.800 0.258 0.000 2.446 301 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 301 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 301 G C 1.445 176.444 174.900 0.164 0.000 1.168 301 G CA 0.831 46.105 45.100 0.289 0.000 0.771 301 G HN 0.410 nan 8.290 nan 0.000 0.551 302 I N -0.713 119.947 120.570 0.149 0.000 2.194 302 I HA -0.240 3.929 4.170 -0.000 0.000 0.246 302 I C 2.457 178.628 176.117 0.091 0.000 1.093 302 I CA 1.468 62.824 61.300 0.093 0.000 1.355 302 I CB -0.285 37.773 38.000 0.097 0.000 1.046 302 I HN 0.266 nan 8.210 nan 0.000 0.413 303 Y N 1.920 122.245 120.300 0.043 0.000 2.133 303 Y HA -0.290 4.260 4.550 -0.001 0.000 0.287 303 Y C 2.337 178.269 175.900 0.053 0.000 1.134 303 Y CA 1.801 59.925 58.100 0.040 0.000 1.133 303 Y CB -0.282 38.199 38.460 0.035 0.000 0.987 303 Y HN 0.164 nan 8.280 nan 0.000 0.502 304 D N 0.026 120.549 120.400 0.206 0.000 2.149 304 D HA -0.252 4.388 4.640 -0.000 0.000 0.194 304 D C 2.065 178.346 176.300 -0.033 0.000 1.001 304 D CA 1.872 55.937 54.000 0.108 0.000 0.849 304 D CB -0.351 40.528 40.800 0.131 0.000 0.939 304 D HN 0.393 nan 8.370 nan 0.000 0.449 305 M N 0.294 119.839 119.600 -0.092 0.000 2.099 305 M HA -0.084 4.396 4.480 -0.000 0.000 0.262 305 M C 2.209 178.478 176.300 -0.051 0.000 1.067 305 M CA 1.190 56.427 55.300 -0.105 0.000 1.124 305 M CB -0.637 31.886 32.600 -0.128 0.000 1.353 305 M HN 0.028 nan 8.290 nan 0.000 0.410 306 C N -0.498 118.733 119.300 -0.115 0.000 2.429 306 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 306 C C 2.735 177.638 174.990 -0.146 0.000 1.262 306 C CA 1.467 60.402 59.018 -0.138 0.000 1.733 306 C CB -1.553 26.067 27.740 -0.200 0.000 2.010 306 C HN 0.730 nan 8.230 nan 0.000 0.483 307 H N 0.906 119.743 119.070 -0.388 0.000 2.352 307 H HA -0.150 4.405 4.556 -0.001 0.000 0.299 307 H C 2.513 177.768 175.328 -0.122 0.000 1.097 307 H CA 2.224 58.072 56.048 -0.334 0.000 1.311 307 H CB -0.244 29.275 29.762 -0.405 0.000 1.377 307 H HN 0.338 nan 8.280 nan 0.000 0.504 308 R N -0.919 119.548 120.500 -0.054 0.000 2.066 308 R HA -0.179 4.161 4.340 -0.000 0.000 0.232 308 R C 2.091 178.371 176.300 -0.032 0.000 1.131 308 R CA 1.621 57.693 56.100 -0.047 0.000 0.955 308 R CB -0.786 29.530 30.300 0.028 0.000 0.851 308 R HN 0.477 nan 8.270 nan 0.000 0.432 309 Y N 1.486 121.737 120.300 -0.083 0.000 2.128 309 Y HA -0.191 4.359 4.550 -0.000 0.000 0.284 309 Y C 2.099 177.958 175.900 -0.069 0.000 1.154 309 Y CA 1.875 59.943 58.100 -0.053 0.000 1.149 309 Y CB -0.199 38.215 38.460 -0.076 0.000 0.976 309 Y HN 0.058 nan 8.280 nan 0.000 0.505 310 L N 0.022 121.292 121.223 0.079 0.000 2.362 310 L HA -0.183 4.157 4.340 -0.000 0.000 0.219 310 L C 2.309 179.137 176.870 -0.070 0.000 1.134 310 L CA 1.365 56.217 54.840 0.019 0.000 0.807 310 L CB -0.358 41.695 42.059 -0.010 0.000 0.927 310 L HN 0.157 nan 8.230 nan 0.000 0.447 311 K N -0.299 120.016 120.400 -0.142 0.000 2.323 311 K HA -0.016 4.303 4.320 -0.000 0.000 0.197 311 K C 1.722 178.250 176.600 -0.120 0.000 1.043 311 K CA 0.335 56.531 56.287 -0.151 0.000 0.997 311 K CB 0.425 32.786 32.500 -0.230 0.000 0.807 311 K HN 0.281 nan 8.250 nan 0.000 0.497 312 E N -0.078 120.035 120.200 -0.145 0.000 2.099 312 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 312 E C 0.378 176.868 176.600 -0.183 0.000 0.962 312 E CA 0.012 56.324 56.400 -0.148 0.000 0.826 312 E CB 0.321 29.936 29.700 -0.142 0.000 0.788 312 E HN -0.061 nan 8.360 nan 0.000 0.461 313 R N 2.455 122.781 120.500 -0.289 0.000 2.401 313 R HA 0.107 4.447 4.340 -0.000 0.000 0.299 313 R C -0.786 175.461 176.300 -0.088 0.000 1.064 313 R CA 0.475 56.425 56.100 -0.249 0.000 1.000 313 R CB 0.256 30.307 30.300 -0.415 0.000 0.973 313 R HN 0.005 nan 8.270 nan 0.000 0.438 314 K N 3.258 123.620 120.400 -0.064 0.000 2.221 314 K HA 0.284 4.604 4.320 -0.000 0.000 0.258 314 K C -0.635 175.983 176.600 0.031 0.000 0.944 314 K CA -0.756 55.536 56.287 0.008 0.000 0.823 314 K CB 1.816 34.303 32.500 -0.022 0.000 1.113 314 K HN 0.321 nan 8.250 nan 0.000 0.431 315 Q N 1.384 121.268 119.800 0.140 0.000 2.340 315 Q HA 0.334 4.674 4.340 -0.000 0.000 0.276 315 Q C -1.258 174.952 176.000 0.351 0.000 1.048 315 Q CA -0.472 55.399 55.803 0.114 0.000 0.832 315 Q CB 0.892 29.687 28.738 0.095 0.000 1.373 315 Q HN 0.588 nan 8.270 nan 0.000 0.409 316 F N 1.743 121.742 119.950 0.081 0.000 3.057 316 F HA -0.202 4.325 4.527 -0.001 0.000 0.287 316 F C 1.060 176.940 175.800 0.133 0.000 0.834 316 F CA 1.340 59.415 58.000 0.126 0.000 1.147 316 F CB -1.507 37.615 39.000 0.204 0.000 1.245 316 F HN 0.903 nan 8.300 nan 0.000 0.509 317 G N -0.636 108.271 108.800 0.178 0.000 2.198 317 G HA2 0.258 4.218 3.960 -0.000 0.000 0.257 317 G HA3 0.258 4.218 3.960 -0.000 0.000 0.257 317 G C -0.033 174.922 174.900 0.091 0.000 1.042 317 G CA 0.205 45.365 45.100 0.101 0.000 0.791 317 G HN 1.846 nan 8.290 nan 0.000 0.502 318 A N -1.076 121.827 122.820 0.138 0.000 2.605 318 A HA 0.857 5.177 4.320 -0.000 0.000 0.294 318 A C -3.038 174.617 177.584 0.118 0.000 1.062 318 A CA -1.015 51.050 52.037 0.046 0.000 0.682 318 A CB 1.457 20.378 19.000 -0.133 0.000 1.278 318 A HN 0.116 nan 8.150 nan 0.000 0.410 319 P HA 0.233 nan 4.420 nan 0.000 0.269 319 P C 0.964 178.365 177.300 0.169 0.000 1.209 319 P CA -0.176 62.954 63.100 0.050 0.000 0.776 319 P CB 0.427 32.110 31.700 -0.028 0.000 0.876 320 L N 2.051 123.402 121.223 0.213 0.000 2.129 320 L HA -0.240 4.099 4.340 -0.000 0.000 0.212 320 L C 2.133 179.174 176.870 0.286 0.000 1.087 320 L CA 1.886 56.925 54.840 0.332 0.000 0.757 320 L CB -0.960 41.200 42.059 0.168 0.000 0.896 320 L HN 0.427 nan 8.230 nan 0.000 0.434 321 A N -0.255 122.623 122.820 0.096 0.000 2.248 321 A HA 0.116 4.436 4.320 -0.000 0.000 0.210 321 A C 2.265 179.841 177.584 -0.013 0.000 1.174 321 A CA 1.196 53.246 52.037 0.021 0.000 0.750 321 A CB -0.434 18.527 19.000 -0.064 0.000 0.780 321 A HN 0.400 nan 8.150 nan 0.000 0.478 322 A N -1.129 121.647 122.820 -0.074 0.000 2.147 322 A HA 0.473 4.793 4.320 -0.000 0.000 0.211 322 A C 0.283 177.668 177.584 -0.331 0.000 1.160 322 A CA -0.153 51.728 52.037 -0.259 0.000 0.781 322 A CB -0.141 18.607 19.000 -0.420 0.000 0.842 322 A HN 0.339 nan 8.150 nan 0.000 0.475 323 F N 0.436 120.368 119.950 -0.031 0.000 2.394 323 F HA 0.275 4.802 4.527 -0.000 0.000 0.340 323 F C 1.550 177.327 175.800 -0.038 0.000 1.105 323 F CA -0.422 57.552 58.000 -0.043 0.000 1.124 323 F CB 0.902 39.869 39.000 -0.055 0.000 1.145 323 F HN 0.156 nan 8.300 nan 0.000 0.505 324 Q N 1.679 121.550 119.800 0.119 0.000 2.062 324 Q HA -0.229 4.111 4.340 -0.000 0.000 0.209 324 Q C 2.085 178.120 176.000 0.058 0.000 0.996 324 Q CA 1.853 57.692 55.803 0.059 0.000 0.859 324 Q CB -0.283 28.477 28.738 0.035 0.000 0.920 324 Q HN 0.688 nan 8.270 nan 0.000 0.415 325 L N 0.710 121.969 121.223 0.061 0.000 2.043 325 L HA -0.253 4.086 4.340 -0.000 0.000 0.212 325 L C 1.846 178.733 176.870 0.029 0.000 1.075 325 L CA 1.703 56.559 54.840 0.026 0.000 0.752 325 L CB -0.443 41.613 42.059 -0.004 0.000 0.891 325 L HN 0.269 nan 8.230 nan 0.000 0.432 326 N N -1.557 117.178 118.700 0.059 0.000 2.270 326 N HA -0.170 4.570 4.740 -0.000 0.000 0.181 326 N C 1.806 177.341 175.510 0.042 0.000 1.016 326 N CA 0.576 53.656 53.050 0.050 0.000 0.870 326 N CB 0.001 38.543 38.487 0.092 0.000 0.979 326 N HN 0.458 nan 8.380 nan 0.000 0.431 327 Q N 0.775 120.605 119.800 0.050 0.000 2.046 327 Q HA -0.180 4.160 4.340 -0.000 0.000 0.200 327 Q C 2.040 178.060 176.000 0.033 0.000 0.975 327 Q CA 1.024 56.849 55.803 0.036 0.000 0.836 327 Q CB -0.098 28.657 28.738 0.028 0.000 0.896 327 Q HN 0.431 nan 8.270 nan 0.000 0.428 328 Q N 0.704 120.521 119.800 0.028 0.000 2.135 328 Q HA -0.189 4.150 4.340 -0.000 0.000 0.204 328 Q C 1.815 177.829 176.000 0.023 0.000 0.981 328 Q CA 1.120 56.937 55.803 0.023 0.000 0.856 328 Q CB 0.206 28.955 28.738 0.017 0.000 0.902 328 Q HN 0.180 nan 8.270 nan 0.000 0.425 329 K N 0.297 120.708 120.400 0.019 0.000 2.057 329 K HA -0.150 4.170 4.320 -0.000 0.000 0.206 329 K C 2.157 178.779 176.600 0.036 0.000 1.050 329 K CA 0.675 56.970 56.287 0.014 0.000 0.935 329 K CB -0.360 32.137 32.500 -0.005 0.000 0.715 329 K HN 0.204 nan 8.250 nan 0.000 0.439 330 L N 1.418 122.668 121.223 0.046 0.000 2.056 330 L HA -0.136 4.203 4.340 -0.000 0.000 0.207 330 L C 2.253 179.225 176.870 0.170 0.000 1.078 330 L CA 1.227 56.123 54.840 0.092 0.000 0.749 330 L CB -0.383 41.708 42.059 0.053 0.000 0.901 330 L HN 0.031 nan 8.230 nan 0.000 0.433 331 V N -3.572 116.395 119.914 0.088 0.000 2.667 331 V HA -0.194 3.926 4.120 -0.000 0.000 0.252 331 V C 2.189 178.298 176.094 0.024 0.000 1.065 331 V CA 1.392 63.717 62.300 0.042 0.000 1.083 331 V CB -0.975 30.855 31.823 0.011 0.000 0.692 331 V HN 0.557 nan 8.190 nan 0.000 0.468 332 Q N -0.250 119.572 119.800 0.036 0.000 2.124 332 Q HA -0.092 4.247 4.340 -0.000 0.000 0.202 332 Q C 2.288 178.305 176.000 0.028 0.000 0.977 332 Q CA 2.229 58.047 55.803 0.026 0.000 0.850 332 Q CB -0.255 28.496 28.738 0.021 0.000 0.901 332 Q HN 0.651 nan 8.270 nan 0.000 0.429 333 M N -0.273 119.367 119.600 0.067 0.000 2.099 333 M HA -0.168 4.311 4.480 -0.000 0.000 0.262 333 M C 2.108 178.421 176.300 0.021 0.000 1.067 333 M CA 1.006 56.365 55.300 0.098 0.000 1.124 333 M CB -0.244 32.489 32.600 0.222 0.000 1.353 333 M HN 0.212 nan 8.290 nan 0.000 0.410 334 L N 0.529 121.726 121.223 -0.044 0.000 2.042 334 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 334 L C 2.308 179.041 176.870 -0.228 0.000 1.076 334 L CA 2.056 56.676 54.840 -0.366 0.000 0.749 334 L CB -1.170 40.633 42.059 -0.428 0.000 0.893 334 L HN 0.270 nan 8.230 nan 0.000 0.432 335 G N -1.143 107.589 108.800 -0.113 0.000 2.404 335 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.215 335 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.215 335 G C 1.455 176.345 174.900 -0.017 0.000 1.174 335 G CA 0.855 45.914 45.100 -0.068 0.000 0.780 335 G HN 0.548 nan 8.290 nan 0.000 0.537 336 N N -0.082 118.617 118.700 -0.001 0.000 2.149 336 N HA -0.121 4.619 4.740 -0.000 0.000 0.188 336 N C 2.225 177.756 175.510 0.035 0.000 1.019 336 N CA 0.967 54.028 53.050 0.018 0.000 0.857 336 N CB -0.055 38.419 38.487 -0.022 0.000 0.997 336 N HN 0.180 nan 8.380 nan 0.000 0.426 337 V N 1.618 121.532 119.914 -0.001 0.000 2.270 337 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 337 V C 2.290 178.443 176.094 0.097 0.000 1.043 337 V CA 1.465 63.781 62.300 0.026 0.000 1.014 337 V CB -0.473 31.328 31.823 -0.036 0.000 0.645 337 V HN 0.308 nan 8.190 nan 0.000 0.447 338 Q N 0.236 120.066 119.800 0.051 0.000 2.096 338 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 338 Q C 2.369 178.504 176.000 0.226 0.000 0.982 338 Q CA 2.128 58.032 55.803 0.170 0.000 0.850 338 Q CB -0.974 27.557 28.738 -0.345 0.000 0.901 338 Q HN 0.648 nan 8.270 nan 0.000 0.422 339 A N 0.701 123.622 122.820 0.168 0.000 1.873 339 A HA -0.123 4.196 4.320 -0.000 0.000 0.215 339 A C 2.243 179.972 177.584 0.241 0.000 1.186 339 A CA 1.449 53.622 52.037 0.227 0.000 0.616 339 A CB -0.538 18.656 19.000 0.324 0.000 0.823 339 A HN 0.297 nan 8.150 nan 0.000 0.442 340 M N -2.053 117.705 119.600 0.263 0.000 2.106 340 M HA -0.150 4.329 4.480 -0.000 0.000 0.259 340 M C 2.121 178.378 176.300 -0.071 0.000 1.068 340 M CA 1.942 57.348 55.300 0.178 0.000 1.100 340 M CB -0.404 32.242 32.600 0.077 0.000 1.351 340 M HN 0.587 nan 8.290 nan 0.000 0.404 341 F N 1.044 120.843 119.950 -0.252 0.000 2.084 341 F HA -0.204 4.322 4.527 -0.000 0.000 0.296 341 F C 1.943 177.523 175.800 -0.366 0.000 1.111 341 F CA 1.569 59.255 58.000 -0.524 0.000 1.224 341 F CB -0.219 38.241 39.000 -0.900 0.000 0.991 341 F HN -0.057 nan 8.300 nan 0.000 0.471 342 L N -0.499 120.778 121.223 0.090 0.000 2.081 342 L HA -0.279 4.060 4.340 -0.000 0.000 0.212 342 L C 2.453 179.415 176.870 0.153 0.000 1.080 342 L CA 1.414 56.381 54.840 0.212 0.000 0.754 342 L CB -0.651 41.558 42.059 0.251 0.000 0.893 342 L HN 0.315 nan 8.230 nan 0.000 0.433 343 M N 0.139 119.731 119.600 -0.013 0.000 2.067 343 M HA -0.099 4.380 4.480 -0.000 0.000 0.260 343 M C 2.108 178.320 176.300 -0.146 0.000 1.069 343 M CA 2.118 57.362 55.300 -0.093 0.000 1.117 343 M CB -0.916 31.616 32.600 -0.114 0.000 1.334 343 M HN 0.157 nan 8.290 nan 0.000 0.407 344 G N -1.692 106.889 108.800 -0.366 0.000 2.408 344 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 344 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 344 G C 1.317 176.221 174.900 0.006 0.000 1.150 344 G CA 0.793 45.566 45.100 -0.545 0.000 0.776 344 G HN 0.685 nan 8.290 nan 0.000 0.542 345 W N 1.643 122.818 121.300 -0.209 0.000 2.355 345 W HA -0.085 4.574 4.660 -0.000 0.000 0.309 345 W C 2.626 179.180 176.519 0.057 0.000 1.206 345 W CA 1.706 59.080 57.345 0.048 0.000 1.284 345 W CB -0.101 29.309 29.460 -0.083 0.000 1.145 345 W HN 0.140 nan 8.180 nan 0.000 0.502 346 R N 0.701 121.139 120.500 -0.102 0.000 2.081 346 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 346 R C 2.151 178.290 176.300 -0.268 0.000 1.131 346 R CA 2.028 57.913 56.100 -0.359 0.000 0.960 346 R CB -1.368 28.895 30.300 -0.062 0.000 0.856 346 R HN 0.376 nan 8.270 nan 0.000 0.436 347 L N -0.193 120.958 121.223 -0.120 0.000 2.042 347 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 347 L C 2.125 178.969 176.870 -0.043 0.000 1.076 347 L CA 1.841 56.646 54.840 -0.059 0.000 0.749 347 L CB -0.615 41.438 42.059 -0.009 0.000 0.893 347 L HN 0.324 nan 8.230 nan 0.000 0.432 348 C N -0.571 118.705 119.300 -0.040 0.000 2.432 348 C HA -0.122 4.338 4.460 -0.000 0.000 0.277 348 C C 2.548 177.463 174.990 -0.125 0.000 1.249 348 C CA 0.427 59.408 59.018 -0.062 0.000 1.725 348 C CB -0.965 26.717 27.740 -0.096 0.000 2.028 348 C HN 0.421 nan 8.230 nan 0.000 0.477 349 K N 0.836 121.042 120.400 -0.323 0.000 2.442 349 K HA 0.058 4.378 4.320 -0.000 0.000 0.198 349 K C 1.658 178.132 176.600 -0.209 0.000 1.042 349 K CA 0.799 56.882 56.287 -0.339 0.000 0.958 349 K CB -0.404 31.716 32.500 -0.633 0.000 0.766 349 K HN 0.561 nan 8.250 nan 0.000 0.474 350 L N -0.987 120.145 121.223 -0.151 0.000 2.127 350 L HA -0.091 4.249 4.340 -0.000 0.000 0.203 350 L C 2.332 179.180 176.870 -0.037 0.000 1.080 350 L CA 0.706 55.493 54.840 -0.089 0.000 0.768 350 L CB -0.382 41.635 42.059 -0.069 0.000 0.924 350 L HN 0.033 nan 8.230 nan 0.000 0.444 351 Y N 0.882 121.112 120.300 -0.116 0.000 2.242 351 Y HA -0.242 4.307 4.550 -0.000 0.000 0.291 351 Y C 2.508 178.352 175.900 -0.094 0.000 1.137 351 Y CA 1.684 59.726 58.100 -0.096 0.000 1.181 351 Y CB 0.057 38.462 38.460 -0.091 0.000 0.989 351 Y HN 0.163 nan 8.280 nan 0.000 0.527 352 E N -0.831 119.330 120.200 -0.066 0.000 2.072 352 E HA -0.173 4.176 4.350 -0.000 0.000 0.191 352 E C 1.923 178.427 176.600 -0.161 0.000 0.985 352 E CA 1.867 58.196 56.400 -0.118 0.000 0.801 352 E CB -0.069 29.589 29.700 -0.070 0.000 0.750 352 E HN 0.604 nan 8.360 nan 0.000 0.452 353 T N -2.998 111.472 114.554 -0.141 0.000 3.118 353 T HA 0.115 4.464 4.350 -0.000 0.000 0.260 353 T C 1.474 176.086 174.700 -0.145 0.000 1.139 353 T CA 0.522 62.548 62.100 -0.124 0.000 1.085 353 T CB 0.219 69.027 68.868 -0.101 0.000 0.934 353 T HN 0.304 nan 8.240 nan 0.000 0.518 354 G N 2.229 110.904 108.800 -0.208 0.000 2.143 354 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.248 354 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.248 354 G C 0.479 175.290 174.900 -0.149 0.000 0.991 354 G CA 0.395 45.355 45.100 -0.232 0.000 0.689 354 G HN 0.807 nan 8.290 nan 0.000 0.522 355 Q N -1.080 118.653 119.800 -0.113 0.000 2.198 355 Q HA 0.536 4.876 4.340 -0.000 0.000 0.209 355 Q C 1.074 177.041 176.000 -0.055 0.000 0.848 355 Q CA -0.438 55.319 55.803 -0.076 0.000 0.974 355 Q CB 0.501 29.199 28.738 -0.067 0.000 1.115 355 Q HN 0.558 nan 8.270 nan 0.000 0.494 356 M N 2.841 122.415 119.600 -0.043 0.000 2.211 356 M HA 0.207 4.686 4.480 -0.000 0.000 0.356 356 M C -0.720 175.581 176.300 0.001 0.000 1.216 356 M CA 0.288 55.587 55.300 -0.002 0.000 1.134 356 M CB 1.145 33.787 32.600 0.070 0.000 1.564 356 M HN 0.287 nan 8.290 nan 0.000 0.463 357 T N 2.083 116.632 114.554 -0.008 0.000 2.885 357 T HA 0.500 4.850 4.350 -0.000 0.000 0.285 357 T C -2.275 172.417 174.700 -0.013 0.000 1.019 357 T CA -1.782 60.310 62.100 -0.013 0.000 1.010 357 T CB 1.373 70.229 68.868 -0.021 0.000 1.022 357 T HN 0.428 nan 8.240 nan 0.000 0.466 358 P HA -0.170 nan 4.420 nan 0.000 0.220 358 P C 1.779 179.067 177.300 -0.020 0.000 1.155 358 P CA 1.807 64.893 63.100 -0.023 0.000 0.880 358 P CB -0.340 31.343 31.700 -0.028 0.000 0.790 359 G N -0.815 107.975 108.800 -0.017 0.000 2.408 359 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 359 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 359 G C 1.541 176.424 174.900 -0.028 0.000 1.150 359 G CA 0.546 45.636 45.100 -0.016 0.000 0.776 359 G HN 0.317 nan 8.290 nan 0.000 0.542 360 Q N 0.125 119.907 119.800 -0.030 0.000 2.084 360 Q HA 0.030 4.370 4.340 -0.000 0.000 0.202 360 Q C 3.004 178.979 176.000 -0.040 0.000 0.978 360 Q CA 1.290 57.069 55.803 -0.039 0.000 0.844 360 Q CB -0.239 28.477 28.738 -0.037 0.000 0.898 360 Q HN 0.470 nan 8.270 nan 0.000 0.426 361 A N 0.218 123.017 122.820 -0.035 0.000 1.930 361 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 361 A C 2.223 179.778 177.584 -0.049 0.000 1.175 361 A CA 1.544 53.556 52.037 -0.041 0.000 0.627 361 A CB -0.391 18.582 19.000 -0.045 0.000 0.815 361 A HN 0.223 nan 8.150 nan 0.000 0.443 362 S N -0.626 115.046 115.700 -0.046 0.000 2.402 362 S HA -0.090 4.380 4.470 -0.000 0.000 0.229 362 S C 1.809 176.369 174.600 -0.067 0.000 1.021 362 S CA 1.254 59.420 58.200 -0.056 0.000 0.974 362 S CB -0.310 62.868 63.200 -0.038 0.000 0.800 362 S HN 0.480 nan 8.310 nan 0.000 0.484 363 L N 2.100 123.292 121.223 -0.051 0.000 2.056 363 L HA 0.083 4.422 4.340 -0.000 0.000 0.207 363 L C 2.205 179.080 176.870 0.008 0.000 1.078 363 L CA 1.844 56.663 54.840 -0.035 0.000 0.749 363 L CB -1.362 40.669 42.059 -0.046 0.000 0.901 363 L HN 0.279 nan 8.230 nan 0.000 0.433 364 G N -0.448 108.341 108.800 -0.017 0.000 2.545 364 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.217 364 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.217 364 G C 1.704 176.618 174.900 0.023 0.000 1.218 364 G CA 0.940 46.037 45.100 -0.005 0.000 0.787 364 G HN 0.316 nan 8.290 nan 0.000 0.571 365 K N 1.217 121.602 120.400 -0.025 0.000 2.009 365 K HA -0.072 4.247 4.320 -0.000 0.000 0.210 365 K C 2.826 179.411 176.600 -0.026 0.000 1.049 365 K CA 1.684 57.941 56.287 -0.049 0.000 0.929 365 K CB -0.777 31.666 32.500 -0.095 0.000 0.714 365 K HN 0.203 nan 8.250 nan 0.000 0.440 366 A N 0.389 123.185 122.820 -0.040 0.000 1.851 366 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 366 A C 2.173 179.867 177.584 0.184 0.000 1.195 366 A CA 1.769 53.780 52.037 -0.044 0.000 0.622 366 A CB -1.334 17.486 19.000 -0.300 0.000 0.831 366 A HN 0.657 nan 8.150 nan 0.000 0.444 367 W N 0.413 121.724 121.300 0.018 0.000 2.354 367 W HA -0.174 4.485 4.660 -0.001 0.000 0.315 367 W C 1.955 178.504 176.519 0.051 0.000 1.206 367 W CA 2.119 59.508 57.345 0.072 0.000 1.290 367 W CB -0.292 29.176 29.460 0.013 0.000 1.152 367 W HN 0.324 nan 8.180 nan 0.000 0.489 368 I N 0.594 121.327 120.570 0.272 0.000 2.163 368 I HA -0.394 3.776 4.170 -0.000 0.000 0.243 368 I C 2.767 178.856 176.117 -0.046 0.000 1.085 368 I CA 1.926 63.281 61.300 0.093 0.000 1.347 368 I CB -1.011 37.026 38.000 0.062 0.000 1.044 368 I HN 0.067 nan 8.210 nan 0.000 0.408 369 S N -0.587 115.110 115.700 -0.006 0.000 2.382 369 S HA -0.226 4.244 4.470 -0.000 0.000 0.228 369 S C 2.132 176.785 174.600 0.088 0.000 1.027 369 S CA 1.596 59.811 58.200 0.026 0.000 0.991 369 S CB -0.650 62.538 63.200 -0.020 0.000 0.823 369 S HN 0.442 nan 8.310 nan 0.000 0.469 370 S N 1.731 117.443 115.700 0.019 0.000 2.368 370 S HA -0.058 4.412 4.470 -0.000 0.000 0.224 370 S C 1.825 176.311 174.600 -0.191 0.000 1.029 370 S CA 1.012 59.192 58.200 -0.034 0.000 0.988 370 S CB -0.342 62.781 63.200 -0.129 0.000 0.838 370 S HN 0.463 nan 8.310 nan 0.000 0.462 371 K N 1.627 121.809 120.400 -0.365 0.000 2.217 371 K HA 0.260 4.579 4.320 -0.000 0.000 0.202 371 K C 2.200 178.690 176.600 -0.183 0.000 1.051 371 K CA 1.021 57.081 56.287 -0.378 0.000 0.952 371 K CB -1.151 30.953 32.500 -0.660 0.000 0.736 371 K HN 0.426 nan 8.250 nan 0.000 0.453 372 A N 1.850 124.599 122.820 -0.118 0.000 1.933 372 A HA -0.148 4.171 4.320 -0.000 0.000 0.218 372 A C 2.244 179.817 177.584 -0.019 0.000 1.175 372 A CA 1.121 53.136 52.037 -0.037 0.000 0.628 372 A CB -0.285 18.713 19.000 -0.004 0.000 0.814 372 A HN 0.160 nan 8.150 nan 0.000 0.444 373 R N -0.366 120.108 120.500 -0.043 0.000 2.073 373 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 373 R C 2.105 178.382 176.300 -0.038 0.000 1.134 373 R CA 1.657 57.712 56.100 -0.076 0.000 0.952 373 R CB -0.453 29.726 30.300 -0.201 0.000 0.850 373 R HN 0.700 nan 8.270 nan 0.000 0.433 374 E N -0.392 119.766 120.200 -0.071 0.000 2.058 374 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 374 E C 1.933 178.524 176.600 -0.016 0.000 0.997 374 E CA 1.852 58.219 56.400 -0.054 0.000 0.801 374 E CB -0.058 29.588 29.700 -0.090 0.000 0.746 374 E HN 0.333 nan 8.360 nan 0.000 0.450 375 T N 0.841 115.388 114.554 -0.013 0.000 2.746 375 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 375 T C 1.977 176.708 174.700 0.051 0.000 1.039 375 T CA 1.228 63.341 62.100 0.022 0.000 1.142 375 T CB -0.203 68.681 68.868 0.027 0.000 0.866 375 T HN 0.239 nan 8.240 nan 0.000 0.444 376 A N 1.016 123.885 122.820 0.082 0.000 1.930 376 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 376 A C 2.567 180.259 177.584 0.179 0.000 1.175 376 A CA 1.933 54.069 52.037 0.164 0.000 0.627 376 A CB -0.990 18.148 19.000 0.231 0.000 0.815 376 A HN 0.443 nan 8.150 nan 0.000 0.443 377 S N -0.446 115.353 115.700 0.166 0.000 2.368 377 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 377 S C 1.941 176.496 174.600 -0.075 0.000 1.030 377 S CA 1.445 59.685 58.200 0.067 0.000 0.999 377 S CB -0.477 62.776 63.200 0.088 0.000 0.844 377 S HN 0.492 nan 8.310 nan 0.000 0.459 378 L N 0.681 121.881 121.223 -0.038 0.000 2.027 378 L HA 0.042 4.382 4.340 -0.000 0.000 0.206 378 L C 2.916 179.736 176.870 -0.083 0.000 1.074 378 L CA 1.217 56.024 54.840 -0.055 0.000 0.745 378 L CB -1.212 40.835 42.059 -0.020 0.000 0.898 378 L HN 0.471 nan 8.230 nan 0.000 0.433 379 G N -0.379 108.383 108.800 -0.063 0.000 2.442 379 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.219 379 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.219 379 G C 1.803 176.597 174.900 -0.177 0.000 1.141 379 G CA 0.365 45.410 45.100 -0.091 0.000 0.763 379 G HN 0.140 nan 8.290 nan 0.000 0.554 380 R N 1.322 121.683 120.500 -0.232 0.000 2.081 380 R HA -0.088 4.251 4.340 -0.000 0.000 0.235 380 R C 2.624 178.722 176.300 -0.336 0.000 1.131 380 R CA 1.856 57.734 56.100 -0.370 0.000 0.960 380 R CB -0.374 29.490 30.300 -0.727 0.000 0.856 380 R HN 0.713 nan 8.270 nan 0.000 0.436 381 E N -0.252 119.784 120.200 -0.274 0.000 2.285 381 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 381 E C 2.112 178.601 176.600 -0.184 0.000 0.997 381 E CA 0.413 56.683 56.400 -0.216 0.000 0.845 381 E CB -0.323 29.276 29.700 -0.168 0.000 0.782 381 E HN 0.281 nan 8.360 nan 0.000 0.491 382 L N 0.193 121.308 121.223 -0.180 0.000 2.141 382 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 382 L C 1.858 178.608 176.870 -0.200 0.000 1.094 382 L CA 0.606 55.356 54.840 -0.149 0.000 0.763 382 L CB -0.052 41.934 42.059 -0.122 0.000 0.908 382 L HN 0.214 nan 8.230 nan 0.000 0.437 383 L N -0.887 120.119 121.223 -0.362 0.000 2.558 383 L HA 0.155 4.494 4.340 -0.000 0.000 0.225 383 L C 1.614 178.224 176.870 -0.432 0.000 1.128 383 L CA 1.002 55.454 54.840 -0.647 0.000 0.868 383 L CB -0.674 40.801 42.059 -0.973 0.000 1.006 383 L HN 0.318 nan 8.230 nan 0.000 0.454 384 G N -0.100 108.535 108.800 -0.275 0.000 2.602 384 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.310 384 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.310 384 G C 1.162 175.929 174.900 -0.222 0.000 1.183 384 G CA 0.383 45.366 45.100 -0.196 0.000 0.979 384 G HN 0.423 nan 8.290 nan 0.000 0.545 385 G N 0.418 109.101 108.800 -0.195 0.000 2.453 385 G HA2 -0.155 3.804 3.960 -0.000 0.000 0.215 385 G HA3 -0.155 3.804 3.960 -0.000 0.000 0.215 385 G C 1.440 176.176 174.900 -0.273 0.000 1.201 385 G CA 1.479 46.466 45.100 -0.189 0.000 0.784 385 G HN 0.858 nan 8.290 nan 0.000 0.545 386 N N 0.981 119.412 118.700 -0.448 0.000 2.635 386 N HA 0.048 4.788 4.740 -0.000 0.000 0.191 386 N C 1.976 177.177 175.510 -0.515 0.000 1.155 386 N CA 0.386 53.070 53.050 -0.610 0.000 0.927 386 N CB -0.000 37.706 38.487 -1.301 0.000 0.976 386 N HN 0.344 nan 8.380 nan 0.000 0.448 387 G N 1.084 109.622 108.800 -0.437 0.000 2.598 387 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.215 387 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.215 387 G C 1.249 176.002 174.900 -0.244 0.000 1.131 387 G CA 0.186 45.071 45.100 -0.359 0.000 0.785 387 G HN 0.520 nan 8.290 nan 0.000 0.539 388 I N -2.496 117.967 120.570 -0.179 0.000 4.018 388 I HA 0.480 4.650 4.170 -0.000 0.000 0.337 388 I C -0.368 175.735 176.117 -0.025 0.000 1.327 388 I CA -0.530 60.717 61.300 -0.088 0.000 1.100 388 I CB 0.415 38.378 38.000 -0.061 0.000 1.025 388 I HN -0.239 nan 8.210 nan 0.000 0.396 389 L N 1.797 123.004 121.223 -0.027 0.000 2.275 389 L HA 0.549 4.889 4.340 -0.000 0.000 0.288 389 L C 1.404 178.298 176.870 0.040 0.000 1.046 389 L CA 0.099 54.972 54.840 0.055 0.000 0.805 389 L CB 1.641 43.791 42.059 0.151 0.000 1.193 389 L HN 0.180 nan 8.230 nan 0.000 0.426 390 A N 1.897 124.718 122.820 0.001 0.000 2.121 390 A HA -0.105 4.214 4.320 -0.000 0.000 0.218 390 A C 1.623 179.157 177.584 -0.082 0.000 1.154 390 A CA 1.036 53.004 52.037 -0.114 0.000 0.679 390 A CB -0.415 18.515 19.000 -0.117 0.000 0.795 390 A HN 0.833 nan 8.150 nan 0.000 0.458 391 D N -0.822 119.554 120.400 -0.041 0.000 2.221 391 D HA -0.124 4.516 4.640 -0.000 0.000 0.204 391 D C 0.333 176.423 176.300 -0.350 0.000 0.982 391 D CA 1.169 55.059 54.000 -0.182 0.000 0.857 391 D CB -0.132 40.535 40.800 -0.223 0.000 0.934 391 D HN 0.574 nan 8.370 nan 0.000 0.475 392 F N -0.231 119.656 119.950 -0.106 0.000 2.684 392 F HA 0.159 4.685 4.527 -0.001 0.000 0.298 392 F C 1.383 177.092 175.800 -0.151 0.000 1.120 392 F CA -0.335 57.587 58.000 -0.129 0.000 1.332 392 F CB 0.338 39.222 39.000 -0.193 0.000 0.986 392 F HN -0.264 nan 8.300 nan 0.000 0.524 393 L N -1.411 119.792 121.223 -0.033 0.000 3.447 393 L HA -0.453 3.887 4.340 -0.000 0.000 0.337 393 L C 1.514 178.343 176.870 -0.068 0.000 4.145 393 L CA 2.322 57.129 54.840 -0.055 0.000 1.229 393 L CB -1.481 40.563 42.059 -0.024 0.000 3.307 393 L HN -0.014 nan 8.230 nan 0.000 0.751 394 V N 0.161 120.045 119.914 -0.051 0.000 2.278 394 V HA -0.365 3.755 4.120 -0.000 0.000 0.251 394 V C 2.779 178.855 176.094 -0.029 0.000 1.062 394 V CA 3.153 65.422 62.300 -0.051 0.000 1.038 394 V CB -1.654 30.099 31.823 -0.116 0.000 0.646 394 V HN 0.843 nan 8.190 nan 0.000 0.447 395 A N 0.023 122.800 122.820 -0.072 0.000 1.883 395 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 395 A C 2.378 179.936 177.584 -0.044 0.000 1.186 395 A CA 2.430 54.448 52.037 -0.032 0.000 0.624 395 A CB -0.575 18.390 19.000 -0.059 0.000 0.822 395 A HN 0.591 nan 8.150 nan 0.000 0.444 396 K N -0.325 119.898 120.400 -0.295 0.000 2.026 396 K HA -0.101 4.219 4.320 -0.000 0.000 0.208 396 K C 2.102 178.514 176.600 -0.314 0.000 1.048 396 K CA 1.441 57.295 56.287 -0.721 0.000 0.929 396 K CB -0.375 31.519 32.500 -1.009 0.000 0.713 396 K HN 0.338 nan 8.250 nan 0.000 0.439 397 A N 0.599 123.344 122.820 -0.125 0.000 1.969 397 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 397 A C 1.952 179.588 177.584 0.087 0.000 1.169 397 A CA 1.077 53.120 52.037 0.011 0.000 0.635 397 A CB -0.743 18.285 19.000 0.046 0.000 0.810 397 A HN 0.557 nan 8.150 nan 0.000 0.445 398 F N 0.342 120.270 119.950 -0.037 0.000 2.102 398 F HA -0.234 4.292 4.527 -0.000 0.000 0.298 398 F C 2.374 178.192 175.800 0.031 0.000 1.105 398 F CA 1.751 59.742 58.000 -0.014 0.000 1.239 398 F CB -0.693 38.285 39.000 -0.038 0.000 0.991 398 F HN 0.285 nan 8.300 nan 0.000 0.474 399 C N 0.488 119.804 119.300 0.027 0.000 2.476 399 C HA -0.136 4.324 4.460 -0.000 0.000 0.278 399 C C 2.437 177.490 174.990 0.106 0.000 1.274 399 C CA 1.223 60.268 59.018 0.045 0.000 1.713 399 C CB -1.132 26.823 27.740 0.359 0.000 2.039 399 C HN 0.469 nan 8.230 nan 0.000 0.484 400 D N 0.502 121.012 120.400 0.183 0.000 2.221 400 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 400 D C 1.904 178.290 176.300 0.143 0.000 0.982 400 D CA 0.819 54.952 54.000 0.221 0.000 0.857 400 D CB -0.349 40.572 40.800 0.201 0.000 0.934 400 D HN 0.434 nan 8.370 nan 0.000 0.475 401 L N 0.479 121.735 121.223 0.055 0.000 2.179 401 L HA -0.087 4.252 4.340 -0.000 0.000 0.208 401 L C 2.121 179.008 176.870 0.029 0.000 1.096 401 L CA 0.819 55.684 54.840 0.042 0.000 0.779 401 L CB 0.086 42.141 42.059 -0.006 0.000 0.922 401 L HN -0.139 nan 8.230 nan 0.000 0.443 402 E N 0.331 120.498 120.200 -0.056 0.000 2.070 402 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 402 E C -0.480 176.154 176.600 0.057 0.000 1.004 402 E CA 1.734 58.092 56.400 -0.070 0.000 0.805 402 E CB -1.636 27.973 29.700 -0.152 0.000 0.744 402 E HN 0.499 nan 8.360 nan 0.000 0.451 403 P HA -0.078 nan 4.420 nan 0.000 0.217 403 P C 1.794 179.288 177.300 0.323 0.000 1.150 403 P CA 1.042 64.231 63.100 0.148 0.000 0.832 403 P CB -0.157 31.610 31.700 0.112 0.000 0.787 404 I N -1.650 119.105 120.570 0.309 0.000 2.286 404 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 404 I C 2.689 178.791 176.117 -0.026 0.000 1.115 404 I CA 1.423 62.794 61.300 0.118 0.000 1.392 404 I CB -0.906 37.169 38.000 0.126 0.000 1.065 404 I HN -0.132 nan 8.210 nan 0.000 0.418 405 Y N 1.521 121.792 120.300 -0.048 0.000 2.256 405 Y HA -0.286 4.263 4.550 -0.000 0.000 0.288 405 Y C 2.544 178.422 175.900 -0.037 0.000 1.155 405 Y CA 2.083 60.151 58.100 -0.053 0.000 1.203 405 Y CB -0.123 38.295 38.460 -0.070 0.000 0.980 405 Y HN 0.055 nan 8.280 nan 0.000 0.530 406 T N -0.819 113.797 114.554 0.103 0.000 3.004 406 T HA -0.002 4.348 4.350 -0.000 0.000 0.243 406 T C -0.206 174.486 174.700 -0.013 0.000 1.020 406 T CA 0.507 62.631 62.100 0.040 0.000 1.145 406 T CB -0.441 68.461 68.868 0.055 0.000 0.876 406 T HN 0.321 nan 8.240 nan 0.000 0.449 407 Y N 1.908 122.156 120.300 -0.087 0.000 2.314 407 Y HA 0.474 5.024 4.550 -0.000 0.000 0.334 407 Y C 0.545 176.415 175.900 -0.050 0.000 1.266 407 Y CA -1.018 57.027 58.100 -0.092 0.000 1.391 407 Y CB 0.285 38.679 38.460 -0.110 0.000 1.306 407 Y HN 0.180 nan 8.280 nan 0.000 0.558 408 E N 1.167 121.357 120.200 -0.016 0.000 2.416 408 E HA -0.083 4.267 4.350 -0.000 0.000 0.249 408 E C -0.092 176.445 176.600 -0.104 0.000 1.124 408 E CA 1.318 57.659 56.400 -0.099 0.000 0.732 408 E CB -1.591 27.943 29.700 -0.276 0.000 1.286 408 E HN 1.795 nan 8.360 nan 0.000 0.394 409 G N 0.217 108.991 108.800 -0.042 0.000 3.405 409 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.676 409 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.676 409 G C 0.030 174.878 174.900 -0.086 0.000 1.039 409 G CA 0.213 45.289 45.100 -0.040 0.000 0.855 409 G HN 0.897 nan 8.290 nan 0.000 0.443 410 T N 2.080 116.599 114.554 -0.057 0.000 2.932 410 T HA 0.217 4.567 4.350 -0.000 0.000 0.312 410 T C 1.600 176.232 174.700 -0.113 0.000 1.071 410 T CA 0.957 63.014 62.100 -0.072 0.000 1.128 410 T CB 0.423 69.284 68.868 -0.012 0.000 0.984 410 T HN 1.146 nan 8.240 nan 0.000 0.549 411 Y N 3.326 123.414 120.300 -0.353 0.000 2.096 411 Y HA -0.278 4.271 4.550 -0.000 0.000 0.278 411 Y C 2.072 177.855 175.900 -0.193 0.000 1.192 411 Y CA 2.746 60.614 58.100 -0.387 0.000 1.143 411 Y CB -0.301 37.774 38.460 -0.642 0.000 0.963 411 Y HN 0.790 nan 8.280 nan 0.000 0.505 412 D N -0.007 120.382 120.400 -0.019 0.000 2.117 412 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 412 D C 2.323 178.499 176.300 -0.206 0.000 0.987 412 D CA 1.493 55.441 54.000 -0.087 0.000 0.829 412 D CB -0.284 40.516 40.800 -0.000 0.000 0.961 412 D HN 0.352 nan 8.370 nan 0.000 0.460 413 I N 1.279 121.759 120.570 -0.150 0.000 2.179 413 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 413 I C 1.808 177.865 176.117 -0.100 0.000 1.088 413 I CA 1.129 62.356 61.300 -0.120 0.000 1.357 413 I CB -0.996 37.023 38.000 0.031 0.000 1.051 413 I HN -0.047 nan 8.210 nan 0.000 0.409 414 N N 0.554 119.174 118.700 -0.134 0.000 2.084 414 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 414 N C 1.787 177.186 175.510 -0.186 0.000 1.030 414 N CA 2.309 55.277 53.050 -0.136 0.000 0.849 414 N CB -0.453 37.921 38.487 -0.188 0.000 1.012 414 N HN 0.473 nan 8.380 nan 0.000 0.423 415 T N -1.236 113.115 114.554 -0.338 0.000 2.881 415 T HA -0.056 4.293 4.350 -0.000 0.000 0.270 415 T C 1.829 176.405 174.700 -0.208 0.000 1.068 415 T CA 0.827 62.735 62.100 -0.320 0.000 1.131 415 T CB -0.393 68.198 68.868 -0.462 0.000 0.871 415 T HN 0.120 nan 8.240 nan 0.000 0.479 416 L N 0.355 121.425 121.223 -0.255 0.000 2.270 416 L HA 0.076 4.416 4.340 -0.000 0.000 0.210 416 L C 2.801 179.679 176.870 0.013 0.000 1.104 416 L CA 0.297 54.944 54.840 -0.322 0.000 0.804 416 L CB -0.307 41.208 42.059 -0.907 0.000 0.937 416 L HN 0.154 nan 8.230 nan 0.000 0.450 417 V N -0.625 119.404 119.914 0.191 0.000 2.307 417 V HA -0.262 3.857 4.120 -0.000 0.000 0.245 417 V C 2.499 178.659 176.094 0.111 0.000 1.045 417 V CA 2.363 64.836 62.300 0.288 0.000 1.024 417 V CB -0.843 31.093 31.823 0.188 0.000 0.651 417 V HN 0.448 nan 8.190 nan 0.000 0.449 418 T N 0.384 114.954 114.554 0.026 0.000 2.833 418 T HA -0.096 4.253 4.350 -0.000 0.000 0.269 418 T C 1.910 176.612 174.700 0.003 0.000 1.054 418 T CA 1.407 63.504 62.100 -0.005 0.000 1.135 418 T CB -0.604 68.239 68.868 -0.041 0.000 0.869 418 T HN 0.623 nan 8.240 nan 0.000 0.466 419 G N 1.506 110.305 108.800 -0.000 0.000 2.433 419 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.216 419 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.216 419 G C 1.537 176.462 174.900 0.041 0.000 1.186 419 G CA 0.786 45.887 45.100 0.002 0.000 0.779 419 G HN 0.434 nan 8.290 nan 0.000 0.543 420 R N 0.529 121.090 120.500 0.103 0.000 2.091 420 R HA -0.097 4.243 4.340 -0.000 0.000 0.238 420 R C 2.414 178.748 176.300 0.056 0.000 1.136 420 R CA 1.924 58.093 56.100 0.115 0.000 0.959 420 R CB -0.362 30.058 30.300 0.200 0.000 0.856 420 R HN 0.535 nan 8.270 nan 0.000 0.437 421 E N -0.414 119.812 120.200 0.043 0.000 2.072 421 E HA -0.133 4.216 4.350 -0.000 0.000 0.191 421 E C 1.812 178.417 176.600 0.008 0.000 0.985 421 E CA 1.418 57.828 56.400 0.016 0.000 0.801 421 E CB 0.221 29.925 29.700 0.007 0.000 0.750 421 E HN 0.248 nan 8.360 nan 0.000 0.452 422 V N 0.713 120.632 119.914 0.007 0.000 2.346 422 V HA -0.199 3.920 4.120 -0.000 0.000 0.244 422 V C 2.699 178.796 176.094 0.004 0.000 1.037 422 V CA 2.031 64.332 62.300 0.000 0.000 1.029 422 V CB -0.836 30.984 31.823 -0.005 0.000 0.663 422 V HN 0.516 nan 8.190 nan 0.000 0.454 423 T N -2.081 112.479 114.554 0.010 0.000 2.857 423 T HA 0.149 4.499 4.350 -0.000 0.000 0.266 423 T C 1.729 176.436 174.700 0.012 0.000 1.048 423 T CA 1.535 63.642 62.100 0.011 0.000 1.139 423 T CB 0.083 68.959 68.868 0.014 0.000 0.874 423 T HN 1.081 nan 8.240 nan 0.000 0.455 424 G N 1.249 110.059 108.800 0.017 0.000 2.176 424 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.232 424 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.232 424 G C 0.003 174.916 174.900 0.022 0.000 0.986 424 G CA 0.032 45.141 45.100 0.015 0.000 0.643 424 G HN 0.680 nan 8.290 nan 0.000 0.522 425 I N 1.414 122.002 120.570 0.030 0.000 2.378 425 I HA 0.654 4.824 4.170 -0.000 0.000 0.291 425 I C 0.614 176.771 176.117 0.067 0.000 0.992 425 I CA -0.740 60.583 61.300 0.038 0.000 1.154 425 I CB 2.008 40.026 38.000 0.030 0.000 1.315 425 I HN 0.229 nan 8.210 nan 0.000 0.448 426 A N 3.949 126.817 122.820 0.080 0.000 2.362 426 A HA 0.470 4.789 4.320 -0.000 0.000 0.276 426 A C 0.344 178.027 177.584 0.164 0.000 1.153 426 A CA -0.130 51.996 52.037 0.148 0.000 0.813 426 A CB 0.626 19.686 19.000 0.099 0.000 1.081 426 A HN 0.646 nan 8.150 nan 0.000 0.507 427 S N 2.099 117.932 115.700 0.220 0.000 2.474 427 S HA 0.444 4.914 4.470 -0.000 0.000 0.224 427 S C -0.205 174.433 174.600 0.063 0.000 1.209 427 S CA -0.371 57.892 58.200 0.105 0.000 1.212 427 S CB -0.634 62.575 63.200 0.014 0.000 1.137 427 S HN 0.578 nan 8.310 nan 0.000 0.446 428 F N 1.419 121.367 119.950 -0.005 0.000 2.315 428 F HA 0.476 5.003 4.527 -0.000 0.000 0.284 428 F C 1.320 177.118 175.800 -0.003 0.000 1.049 428 F CA 0.111 58.108 58.000 -0.005 0.000 1.323 428 F CB -0.225 38.772 39.000 -0.005 0.000 1.113 428 F HN 0.104 nan 8.300 nan 0.000 0.544 429 K N 1.725 122.249 120.400 0.207 0.000 2.336 429 K HA 0.091 4.411 4.320 -0.000 0.000 0.262 429 K C -1.926 174.713 176.600 0.065 0.000 0.992 429 K CA -1.077 55.275 56.287 0.108 0.000 0.927 429 K CB -0.347 32.200 32.500 0.078 0.000 0.956 429 K HN -0.039 nan 8.250 nan 0.000 0.495 430 P HA 0.136 nan 4.420 nan 0.000 0.289 430 P C -0.397 176.918 177.300 0.025 0.000 1.299 430 P CA -0.386 62.731 63.100 0.028 0.000 0.766 430 P CB 0.712 32.426 31.700 0.023 0.000 1.226 431 A N -0.536 122.296 122.820 0.019 0.000 2.099 431 A HA 0.053 4.373 4.320 -0.000 0.000 0.206 431 A C 1.787 179.380 177.584 0.016 0.000 1.464 431 A CA 2.531 54.578 52.037 0.017 0.000 0.603 431 A CB -1.724 17.284 19.000 0.013 0.000 1.056 431 A HN 0.684 nan 8.150 nan 0.000 0.492 432 T N -3.102 111.460 114.554 0.013 0.000 12.091 432 T HA -0.330 4.020 4.350 -0.000 0.000 0.419 432 T C 0.705 175.411 174.700 0.011 0.000 1.442 432 T CA 4.392 66.499 62.100 0.011 0.000 2.394 432 T CB -1.405 67.470 68.868 0.012 0.000 2.865 432 T HN 2.339 nan 8.240 nan 0.000 0.872 433 R N 0.000 120.507 120.500 0.012 0.000 2.786 433 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 433 R CA 0.000 nan 56.100 nan 0.000 0.921 433 R CB 0.000 nan 30.300 nan 0.000 0.687 433 R HN 0.000 nan 8.270 nan 0.000 0.535