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 2zu6_1_C DATA FIRST_RESID 25 DATA SEQUENCE SNWNEIVDSF DDMNLSESLL RGIYAXXXXK PSAIQQRAIL PCIKGYDVIA DATA SEQUENCE QAQSGTGKTA TFAISILQQI ELDLXXTQAL VLAPTRELAQ QIQKVVMALG DATA SEQUENCE XXXXXXCHAC IGGTNVRAEV QKLQMEAPHI IVGTPGRVFD MLNRRYLSPK DATA SEQUENCE YIKMFVLDEA DEMLSRGFKD QIYDIFQKLN SNTQVVLLSA TMPSDVLEVT DATA SEQUENCE KKFMRDPIRI LVKKEXXXXX XIRQFYINVE REEWKLDTLC DLYETLTITQ DATA SEQUENCE AVIFINTRRK VDWLTEKMHA RDFTVSAMHG DMDQKERDVI MREFRSGSSR DATA SEQUENCE VLITTDLLAR GIDVQQVSLV INYDLPTNRE NYIHRIGXXX XXGRKGVAIN DATA SEQUENCE MVTEEDKRTL RDIETFYNTS IEEM 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 25 S HA 0.000 nan 4.470 nan 0.000 0.327 25 S C 0.000 174.644 174.600 0.073 0.000 1.055 25 S CA 0.000 58.238 58.200 0.063 0.000 1.107 25 S CB 0.000 63.236 63.200 0.060 0.000 0.593 26 N N 1.643 120.409 118.700 0.110 0.000 2.294 26 N HA 0.135 4.875 4.740 -0.000 0.000 0.186 26 N C 0.022 175.647 175.510 0.192 0.000 1.107 26 N CA -0.200 52.924 53.050 0.124 0.000 0.884 26 N CB 0.349 38.909 38.487 0.122 0.000 1.030 26 N HN 0.761 nan 8.380 nan 0.000 0.482 27 W N 1.786 123.091 121.300 0.007 0.000 2.338 27 W HA 0.401 5.061 4.660 -0.000 0.000 0.315 27 W C -1.026 175.492 176.519 -0.001 0.000 1.005 27 W CA -0.637 56.709 57.345 0.001 0.000 1.380 27 W CB 0.654 30.114 29.460 -0.000 0.000 1.235 27 W HN 0.016 nan 8.180 nan 0.000 0.409 28 N N 2.865 121.391 118.700 -0.291 0.000 2.236 28 N HA -0.033 4.707 4.740 -0.000 0.000 0.196 28 N C -0.162 175.090 175.510 -0.430 0.000 1.114 28 N CA -0.057 52.841 53.050 -0.253 0.000 0.859 28 N CB 0.453 38.850 38.487 -0.151 0.000 0.982 28 N HN 0.365 nan 8.380 nan 0.000 0.493 29 E N 1.682 121.334 120.200 -0.913 0.000 2.351 29 E HA 0.093 4.443 4.350 -0.000 0.000 0.266 29 E C -0.180 176.172 176.600 -0.414 0.000 1.031 29 E CA 0.138 56.045 56.400 -0.823 0.000 0.911 29 E CB 0.514 29.415 29.700 -1.332 0.000 0.986 29 E HN 0.344 nan 8.360 nan 0.000 0.446 30 I N -0.683 119.784 120.570 -0.172 0.000 2.797 30 I HA 0.560 4.730 4.170 -0.000 0.000 0.307 30 I C -0.507 175.615 176.117 0.007 0.000 1.033 30 I CA -1.255 60.031 61.300 -0.024 0.000 1.071 30 I CB 1.872 39.850 38.000 -0.037 0.000 1.255 30 I HN 0.026 nan 8.210 nan 0.000 0.445 31 V N 3.224 123.162 119.914 0.040 0.000 2.340 31 V HA 0.195 4.315 4.120 -0.000 0.000 0.277 31 V C -0.524 175.571 176.094 0.003 0.000 1.017 31 V CA -0.170 62.148 62.300 0.029 0.000 0.820 31 V CB 0.806 32.665 31.823 0.059 0.000 1.028 31 V HN 0.782 nan 8.190 nan 0.000 0.436 32 D N 1.138 121.521 120.400 -0.027 0.000 2.249 32 D HA 0.014 4.654 4.640 -0.000 0.000 0.205 32 D C 1.267 177.503 176.300 -0.106 0.000 0.962 32 D CA 0.606 54.567 54.000 -0.064 0.000 0.860 32 D CB 0.194 40.948 40.800 -0.075 0.000 0.955 32 D HN 0.495 nan 8.370 nan 0.000 0.505 33 S N 0.418 116.074 115.700 -0.073 0.000 2.572 33 S HA -0.002 4.468 4.470 -0.000 0.000 0.267 33 S C 0.946 175.513 174.600 -0.055 0.000 1.361 33 S CA -0.580 57.571 58.200 -0.081 0.000 1.009 33 S CB 0.269 63.475 63.200 0.009 0.000 0.888 33 S HN -0.012 nan 8.310 nan 0.000 0.553 34 F N 1.185 121.145 119.950 0.017 0.000 2.025 34 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 34 F C 1.480 177.299 175.800 0.032 0.000 1.132 34 F CA 1.448 59.462 58.000 0.024 0.000 1.191 34 F CB -0.038 38.980 39.000 0.029 0.000 0.963 34 F HN 0.450 nan 8.300 nan 0.000 0.481 35 D N -0.697 119.851 120.400 0.247 0.000 2.739 35 D HA 0.099 4.739 4.640 -0.000 0.000 0.335 35 D C 0.186 176.547 176.300 0.102 0.000 1.216 35 D CA 0.019 54.110 54.000 0.152 0.000 0.808 35 D CB 0.549 41.427 40.800 0.131 0.000 1.121 35 D HN 0.149 nan 8.370 nan 0.000 0.499 36 D N 0.707 121.158 120.400 0.084 0.000 2.197 36 D HA -0.031 4.609 4.640 -0.000 0.000 0.212 36 D C 1.990 178.324 176.300 0.057 0.000 0.963 36 D CA 0.616 54.654 54.000 0.063 0.000 0.864 36 D CB 0.262 41.094 40.800 0.054 0.000 1.009 36 D HN 0.265 nan 8.370 nan 0.000 0.479 37 M N 0.830 120.465 119.600 0.057 0.000 2.941 37 M HA 0.087 4.567 4.480 -0.000 0.000 0.199 37 M C -0.381 175.948 176.300 0.048 0.000 1.245 37 M CA 0.195 55.525 55.300 0.050 0.000 1.137 37 M CB -1.550 31.079 32.600 0.047 0.000 1.712 37 M HN -0.227 nan 8.290 nan 0.000 0.433 38 N N 2.358 121.088 118.700 0.049 0.000 2.860 38 N HA -0.167 4.573 4.740 -0.000 0.000 0.284 38 N C -0.755 174.779 175.510 0.041 0.000 0.991 38 N CA 0.671 53.747 53.050 0.044 0.000 0.858 38 N CB -1.129 37.381 38.487 0.037 0.000 0.933 38 N HN 0.537 nan 8.380 nan 0.000 0.593 39 L N -0.461 120.790 121.223 0.047 0.000 2.483 39 L HA 0.092 4.431 4.340 -0.000 0.000 0.275 39 L C 1.437 178.326 176.870 0.032 0.000 1.220 39 L CA 0.306 55.172 54.840 0.042 0.000 0.833 39 L CB 0.241 42.331 42.059 0.052 0.000 1.102 39 L HN 0.005 nan 8.230 nan 0.000 0.490 40 S N 0.047 115.763 115.700 0.026 0.000 2.641 40 S HA 0.118 4.587 4.470 -0.000 0.000 0.261 40 S C 1.140 175.745 174.600 0.009 0.000 1.257 40 S CA -0.589 57.621 58.200 0.017 0.000 0.983 40 S CB 0.718 63.928 63.200 0.016 0.000 0.990 40 S HN 0.688 nan 8.310 nan 0.000 0.572 41 E N 0.832 121.030 120.200 -0.002 0.000 2.152 41 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 41 E C 0.857 177.447 176.600 -0.017 0.000 0.983 41 E CA 0.796 57.185 56.400 -0.019 0.000 0.818 41 E CB -0.029 29.655 29.700 -0.026 0.000 0.758 41 E HN 0.559 nan 8.360 nan 0.000 0.467 42 S N 0.600 116.298 115.700 -0.004 0.000 3.305 42 S HA 0.135 4.605 4.470 -0.000 0.000 0.248 42 S C 0.762 175.367 174.600 0.009 0.000 1.288 42 S CA 0.153 58.354 58.200 0.002 0.000 1.249 42 S CB -0.025 63.181 63.200 0.009 0.000 1.116 42 S HN 0.229 nan 8.310 nan 0.000 0.465 43 L N -1.159 120.068 121.223 0.007 0.000 1.589 43 L HA 0.247 4.587 4.340 -0.000 0.000 0.161 43 L C 0.795 177.687 176.870 0.037 0.000 1.300 43 L CA 0.033 54.887 54.840 0.023 0.000 1.196 43 L CB -0.205 41.872 42.059 0.030 0.000 2.497 43 L HN 0.229 nan 8.230 nan 0.000 0.492 44 L N 1.887 123.125 121.223 0.024 0.000 2.551 44 L HA -0.004 4.336 4.340 -0.000 0.000 0.228 44 L C 2.458 179.306 176.870 -0.036 0.000 1.153 44 L CA 1.528 56.393 54.840 0.042 0.000 0.851 44 L CB -1.006 41.053 42.059 -0.001 0.000 0.959 44 L HN 0.491 nan 8.230 nan 0.000 0.451 45 R N -1.074 119.393 120.500 -0.055 0.000 2.115 45 R HA -0.023 4.316 4.340 -0.000 0.000 0.226 45 R C 2.001 178.315 176.300 0.024 0.000 1.100 45 R CA 1.359 57.419 56.100 -0.067 0.000 0.980 45 R CB -0.644 29.623 30.300 -0.055 0.000 0.875 45 R HN 0.146 nan 8.270 nan 0.000 0.445 46 G N 1.130 109.961 108.800 0.053 0.000 2.510 46 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.212 46 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.212 46 G C 1.391 176.352 174.900 0.101 0.000 1.151 46 G CA -0.082 45.057 45.100 0.064 0.000 0.817 46 G HN 0.078 nan 8.290 nan 0.000 0.534 47 I N 0.597 121.248 120.570 0.135 0.000 2.335 47 I HA -0.136 4.033 4.170 -0.000 0.000 0.251 47 I C 2.343 178.556 176.117 0.161 0.000 1.129 47 I CA 0.829 62.214 61.300 0.142 0.000 1.402 47 I CB -1.017 37.083 38.000 0.165 0.000 1.069 47 I HN 0.233 nan 8.210 nan 0.000 0.424 48 Y N 0.782 121.089 120.300 0.010 0.000 2.114 48 Y HA -0.092 4.458 4.550 -0.000 0.000 0.284 48 Y C 1.963 177.868 175.900 0.008 0.000 1.143 48 Y CA 0.763 58.867 58.100 0.006 0.000 1.135 48 Y CB -0.422 38.035 38.460 -0.006 0.000 0.980 48 Y HN 0.121 nan 8.280 nan 0.000 0.499 55 P HA 0.178 nan 4.420 nan 0.000 0.292 55 P C 0.257 177.538 177.300 -0.032 0.000 1.326 55 P CA -0.188 62.897 63.100 -0.026 0.000 0.787 55 P CB 1.735 33.434 31.700 -0.002 0.000 0.903 56 S N 2.032 117.718 115.700 -0.023 0.000 2.727 56 S HA 0.359 4.829 4.470 -0.000 0.000 0.249 56 S C 1.075 175.671 174.600 -0.007 0.000 1.079 56 S CA 0.459 58.645 58.200 -0.023 0.000 0.912 56 S CB -0.281 62.899 63.200 -0.032 0.000 0.861 56 S HN 0.492 nan 8.310 nan 0.000 0.484 57 A N 2.238 125.058 122.820 0.001 0.000 2.523 57 A HA 0.585 4.905 4.320 -0.000 0.000 0.251 57 A C 1.368 178.967 177.584 0.025 0.000 1.706 57 A CA 0.180 52.224 52.037 0.011 0.000 0.847 57 A CB -0.986 18.021 19.000 0.012 0.000 1.571 57 A HN 0.436 nan 8.150 nan 0.000 0.625 58 I N 0.146 120.737 120.570 0.035 0.000 2.707 58 I HA -0.313 3.857 4.170 -0.000 0.000 0.266 58 I C 2.470 178.622 176.117 0.057 0.000 1.215 58 I CA 2.102 63.434 61.300 0.053 0.000 1.442 58 I CB -0.184 37.852 38.000 0.059 0.000 1.108 58 I HN 0.685 nan 8.210 nan 0.000 0.464 59 Q N -0.058 119.765 119.800 0.039 0.000 2.444 59 Q HA -0.172 4.168 4.340 -0.000 0.000 0.206 59 Q C 1.594 177.618 176.000 0.039 0.000 0.948 59 Q CA 0.870 56.694 55.803 0.034 0.000 0.946 59 Q CB -0.194 28.551 28.738 0.012 0.000 1.027 59 Q HN 0.790 nan 8.270 nan 0.000 0.513 60 Q N -0.154 119.672 119.800 0.043 0.000 2.402 60 Q HA 0.179 4.519 4.340 -0.000 0.000 0.231 60 Q C 1.832 177.888 176.000 0.093 0.000 0.888 60 Q CA -0.497 55.335 55.803 0.049 0.000 0.938 60 Q CB 0.117 28.867 28.738 0.020 0.000 1.086 60 Q HN 0.120 nan 8.270 nan 0.000 0.543 61 R N 0.485 121.051 120.500 0.110 0.000 2.148 61 R HA 0.098 4.438 4.340 -0.000 0.000 0.223 61 R C 1.284 177.721 176.300 0.228 0.000 1.088 61 R CA 1.300 57.520 56.100 0.199 0.000 0.985 61 R CB 0.160 30.564 30.300 0.175 0.000 0.880 61 R HN 0.387 nan 8.270 nan 0.000 0.451 62 A N 0.134 123.028 122.820 0.123 0.000 2.431 62 A HA 0.137 4.457 4.320 -0.000 0.000 0.239 62 A C 1.675 179.288 177.584 0.048 0.000 1.230 62 A CA -0.341 51.735 52.037 0.064 0.000 0.928 62 A CB 0.022 19.059 19.000 0.062 0.000 1.006 62 A HN 0.187 nan 8.150 nan 0.000 0.520 63 I N 0.121 120.731 120.570 0.067 0.000 2.087 63 I HA -0.359 3.811 4.170 -0.000 0.000 0.240 63 I C 2.063 178.202 176.117 0.036 0.000 1.054 63 I CA 2.320 63.651 61.300 0.053 0.000 1.311 63 I CB 0.121 38.155 38.000 0.058 0.000 1.024 63 I HN 0.449 nan 8.210 nan 0.000 0.402 64 L N -1.047 120.193 121.223 0.028 0.000 2.168 64 L HA 0.195 4.535 4.340 -0.000 0.000 0.203 64 L C -0.642 176.177 176.870 -0.084 0.000 1.078 64 L CA 0.410 55.245 54.840 -0.008 0.000 0.780 64 L CB -2.780 39.282 42.059 0.005 0.000 0.939 64 L HN 0.022 nan 8.230 nan 0.000 0.451 65 P HA -0.268 nan 4.420 nan 0.000 0.226 65 P C 1.458 178.663 177.300 -0.160 0.000 1.154 65 P CA 2.268 65.177 63.100 -0.318 0.000 0.901 65 P CB -0.257 31.257 31.700 -0.310 0.000 0.788 66 C N -3.145 116.136 119.300 -0.032 0.000 2.551 66 C HA 0.197 4.657 4.460 -0.000 0.000 0.277 66 C C 2.498 177.534 174.990 0.076 0.000 1.349 66 C CA -0.437 58.615 59.018 0.056 0.000 1.750 66 C CB -1.571 26.207 27.740 0.064 0.000 2.058 66 C HN 0.143 nan 8.230 nan 0.000 0.518 67 I N 1.733 122.329 120.570 0.043 0.000 2.530 67 I HA -0.170 3.999 4.170 -0.000 0.000 0.257 67 I C 2.097 178.257 176.117 0.071 0.000 1.179 67 I CA 1.597 62.928 61.300 0.051 0.000 1.440 67 I CB -0.141 37.881 38.000 0.036 0.000 1.087 67 I HN 0.235 nan 8.210 nan 0.000 0.440 68 K N 0.008 120.472 120.400 0.106 0.000 1.992 68 K HA 0.293 4.613 4.320 -0.000 0.000 0.210 68 K C 1.205 177.907 176.600 0.170 0.000 1.036 68 K CA 1.281 57.670 56.287 0.169 0.000 0.946 68 K CB -0.391 32.287 32.500 0.297 0.000 0.742 68 K HN 0.218 nan 8.250 nan 0.000 0.442 69 G N -0.936 108.017 108.800 0.254 0.000 4.571 69 G HA2 0.026 3.986 3.960 -0.000 0.000 0.226 69 G HA3 0.026 3.986 3.960 -0.000 0.000 0.226 69 G C -1.054 173.890 174.900 0.073 0.000 1.529 69 G CA -0.703 44.467 45.100 0.117 0.000 1.161 69 G HN 0.074 nan 8.290 nan 0.000 0.572 70 Y N 0.782 121.070 120.300 -0.020 0.000 2.335 70 Y HA 0.475 5.024 4.550 -0.000 0.000 0.323 70 Y C 0.166 176.054 175.900 -0.020 0.000 1.224 70 Y CA -0.689 57.390 58.100 -0.034 0.000 1.241 70 Y CB 1.159 39.567 38.460 -0.086 0.000 1.235 70 Y HN 0.032 nan 8.280 nan 0.000 0.492 71 D N 1.956 122.423 120.400 0.110 0.000 2.295 71 D HA 0.354 4.994 4.640 -0.000 0.000 0.248 71 D C -0.669 175.671 176.300 0.068 0.000 1.154 71 D CA 0.021 54.071 54.000 0.083 0.000 0.857 71 D CB 1.055 41.900 40.800 0.075 0.000 1.117 71 D HN 0.324 nan 8.370 nan 0.000 0.468 72 V N 0.005 119.944 119.914 0.041 0.000 3.074 72 V HA 0.678 4.798 4.120 -0.000 0.000 0.314 72 V C -0.410 175.689 176.094 0.009 0.000 1.117 72 V CA -1.041 61.266 62.300 0.011 0.000 1.014 72 V CB 2.409 34.224 31.823 -0.014 0.000 1.057 72 V HN 0.507 nan 8.190 nan 0.000 0.438 73 I N 2.036 122.611 120.570 0.009 0.000 2.560 73 I HA 0.801 4.971 4.170 -0.000 0.000 0.283 73 I C -0.432 175.695 176.117 0.018 0.000 1.115 73 I CA -0.485 60.819 61.300 0.006 0.000 1.066 73 I CB 1.082 39.086 38.000 0.007 0.000 1.221 73 I HN 1.143 nan 8.210 nan 0.000 0.450 74 A N 6.277 129.108 122.820 0.018 0.000 2.337 74 A HA 0.559 4.878 4.320 -0.000 0.000 0.329 74 A C -0.808 176.794 177.584 0.029 0.000 1.146 74 A CA -0.560 51.498 52.037 0.035 0.000 0.800 74 A CB 1.550 20.580 19.000 0.051 0.000 1.220 74 A HN 0.765 nan 8.150 nan 0.000 0.472 75 Q N 1.078 120.898 119.800 0.033 0.000 2.398 75 Q HA 0.584 4.924 4.340 -0.000 0.000 0.251 75 Q C -0.738 175.282 176.000 0.034 0.000 0.999 75 Q CA -0.274 55.545 55.803 0.028 0.000 0.874 75 Q CB 0.872 29.624 28.738 0.024 0.000 1.215 75 Q HN 0.985 nan 8.270 nan 0.000 0.470 76 A N 3.748 126.589 122.820 0.035 0.000 2.517 76 A HA 0.379 4.699 4.320 -0.000 0.000 0.297 76 A C -1.379 176.230 177.584 0.042 0.000 1.050 76 A CA -0.782 51.280 52.037 0.041 0.000 0.694 76 A CB 1.682 20.713 19.000 0.052 0.000 1.277 76 A HN 0.685 nan 8.150 nan 0.000 0.400 77 Q N 0.817 120.640 119.800 0.039 0.000 2.289 77 Q HA 0.324 4.664 4.340 -0.000 0.000 0.273 77 Q C 0.468 176.498 176.000 0.049 0.000 1.029 77 Q CA 0.462 56.290 55.803 0.042 0.000 0.896 77 Q CB 1.009 29.769 28.738 0.036 0.000 1.182 77 Q HN 0.675 nan 8.270 nan 0.000 0.385 78 S N 2.503 118.237 115.700 0.057 0.000 2.498 78 S HA 0.427 4.897 4.470 -0.000 0.000 0.314 78 S C 0.218 174.854 174.600 0.062 0.000 1.141 78 S CA -0.197 58.043 58.200 0.067 0.000 1.087 78 S CB -0.581 62.665 63.200 0.077 0.000 1.178 78 S HN 0.686 nan 8.310 nan 0.000 0.533 79 G N 2.076 110.905 108.800 0.049 0.000 2.606 79 G HA2 0.311 4.271 3.960 -0.000 0.000 0.262 79 G HA3 0.311 4.271 3.960 -0.000 0.000 0.262 79 G C 1.042 175.962 174.900 0.035 0.000 1.394 79 G CA 0.088 45.215 45.100 0.044 0.000 1.044 79 G HN 0.667 nan 8.290 nan 0.000 0.553 80 T N -2.652 111.918 114.554 0.026 0.000 3.163 80 T HA 0.147 4.497 4.350 -0.000 0.000 0.260 80 T C 1.855 176.546 174.700 -0.016 0.000 1.156 80 T CA 1.452 63.556 62.100 0.007 0.000 1.072 80 T CB -0.180 68.695 68.868 0.012 0.000 0.937 80 T HN 0.544 nan 8.240 nan 0.000 0.528 81 G N 1.448 110.244 108.800 -0.007 0.000 2.508 81 G HA2 0.015 3.974 3.960 -0.000 0.000 0.212 81 G HA3 0.015 3.974 3.960 -0.000 0.000 0.212 81 G C 1.371 176.256 174.900 -0.025 0.000 1.206 81 G CA 0.467 45.558 45.100 -0.016 0.000 0.822 81 G HN 0.535 nan 8.290 nan 0.000 0.550 82 K N 0.536 120.942 120.400 0.010 0.000 2.052 82 K HA -0.201 4.119 4.320 -0.000 0.000 0.215 82 K C 2.334 178.935 176.600 0.002 0.000 1.053 82 K CA 2.284 58.599 56.287 0.047 0.000 0.934 82 K CB -0.569 31.983 32.500 0.087 0.000 0.717 82 K HN 0.416 nan 8.250 nan 0.000 0.450 83 T N -2.366 112.162 114.554 -0.044 0.000 3.215 83 T HA 0.213 4.563 4.350 -0.000 0.000 0.254 83 T C 1.379 175.781 174.700 -0.497 0.000 1.149 83 T CA 0.441 62.404 62.100 -0.229 0.000 1.042 83 T CB 0.379 69.233 68.868 -0.025 0.000 0.966 83 T HN 0.316 nan 8.240 nan 0.000 0.534 84 A N 1.400 124.022 122.820 -0.330 0.000 2.035 84 A HA 0.230 4.550 4.320 -0.000 0.000 0.208 84 A C 2.345 179.753 177.584 -0.293 0.000 1.206 84 A CA 0.793 52.661 52.037 -0.281 0.000 0.773 84 A CB -0.800 18.121 19.000 -0.131 0.000 0.878 84 A HN 0.449 nan 8.150 nan 0.000 0.469 85 T N 1.414 115.835 114.554 -0.221 0.000 2.505 85 T HA -0.281 4.069 4.350 -0.000 0.000 0.259 85 T C 1.593 176.235 174.700 -0.096 0.000 1.158 85 T CA 2.434 64.477 62.100 -0.095 0.000 1.190 85 T CB -0.896 67.987 68.868 0.024 0.000 0.864 85 T HN 0.745 nan 8.240 nan 0.000 0.413 86 F N 2.053 122.008 119.950 0.009 0.000 2.234 86 F HA 0.376 4.903 4.527 -0.000 0.000 0.299 86 F C 2.560 178.364 175.800 0.007 0.000 1.087 86 F CA 0.116 58.120 58.000 0.006 0.000 1.340 86 F CB -1.324 37.675 39.000 -0.002 0.000 1.031 86 F HN 0.175 nan 8.300 nan 0.000 0.500 87 A N 1.997 124.502 122.820 -0.525 0.000 1.958 87 A HA -0.186 4.134 4.320 -0.000 0.000 0.221 87 A C 2.236 179.780 177.584 -0.067 0.000 1.178 87 A CA 2.260 54.149 52.037 -0.247 0.000 0.642 87 A CB -1.028 17.754 19.000 -0.364 0.000 0.816 87 A HN 0.456 nan 8.150 nan 0.000 0.453 88 I N 0.181 120.711 120.570 -0.066 0.000 2.133 88 I HA -0.169 4.001 4.170 -0.000 0.000 0.238 88 I C 2.667 178.802 176.117 0.030 0.000 1.074 88 I CA 1.821 63.115 61.300 -0.009 0.000 1.342 88 I CB -1.857 36.141 38.000 -0.003 0.000 1.053 88 I HN 0.294 nan 8.210 nan 0.000 0.404 89 S N 1.567 117.300 115.700 0.056 0.000 2.378 89 S HA -0.230 4.240 4.470 -0.000 0.000 0.229 89 S C 2.138 176.777 174.600 0.065 0.000 1.052 89 S CA 1.716 59.958 58.200 0.070 0.000 1.084 89 S CB -0.787 62.474 63.200 0.101 0.000 0.950 89 S HN 0.360 nan 8.310 nan 0.000 0.440 90 I N 1.199 121.822 120.570 0.088 0.000 2.194 90 I HA -0.209 3.960 4.170 -0.000 0.000 0.246 90 I C 2.121 178.259 176.117 0.034 0.000 1.093 90 I CA 1.286 62.627 61.300 0.070 0.000 1.355 90 I CB -0.351 37.716 38.000 0.111 0.000 1.046 90 I HN 0.209 nan 8.210 nan 0.000 0.413 91 L N -0.546 120.697 121.223 0.033 0.000 2.270 91 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 91 L C 2.550 179.430 176.870 0.018 0.000 1.104 91 L CA 0.556 55.409 54.840 0.022 0.000 0.804 91 L CB -0.467 41.605 42.059 0.022 0.000 0.937 91 L HN 0.280 nan 8.230 nan 0.000 0.450 92 Q N 0.663 120.477 119.800 0.024 0.000 2.079 92 Q HA -0.184 4.156 4.340 -0.000 0.000 0.200 92 Q C 1.603 177.615 176.000 0.020 0.000 0.974 92 Q CA 1.547 57.365 55.803 0.024 0.000 0.840 92 Q CB 0.048 28.805 28.738 0.032 0.000 0.898 92 Q HN 0.563 nan 8.270 nan 0.000 0.430 93 Q N 0.173 119.983 119.800 0.017 0.000 2.282 93 Q HA 0.204 4.544 4.340 -0.000 0.000 0.205 93 Q C 0.618 176.607 176.000 -0.018 0.000 0.915 93 Q CA -0.358 55.450 55.803 0.009 0.000 0.949 93 Q CB 0.295 29.041 28.738 0.013 0.000 1.035 93 Q HN 0.341 nan 8.270 nan 0.000 0.484 94 I N 0.742 121.300 120.570 -0.020 0.000 3.378 94 I HA -0.015 4.155 4.170 -0.000 0.000 0.284 94 I C -0.255 175.841 176.117 -0.035 0.000 1.157 94 I CA -0.013 61.258 61.300 -0.048 0.000 1.193 94 I CB 0.957 38.932 38.000 -0.042 0.000 1.461 94 I HN 0.062 nan 8.210 nan 0.000 0.674 95 E N 3.628 123.797 120.200 -0.051 0.000 2.432 95 E HA 0.222 4.572 4.350 -0.000 0.000 0.272 95 E C -0.442 176.142 176.600 -0.027 0.000 0.937 95 E CA -0.237 56.157 56.400 -0.010 0.000 0.812 95 E CB 1.324 31.048 29.700 0.040 0.000 1.377 95 E HN 0.506 nan 8.360 nan 0.000 0.399 96 L N 2.660 123.876 121.223 -0.012 0.000 2.869 96 L HA -0.042 4.298 4.340 -0.000 0.000 0.259 96 L C -0.019 176.864 176.870 0.023 0.000 1.162 96 L CA 0.841 55.681 54.840 0.000 0.000 0.975 96 L CB -0.192 41.890 42.059 0.039 0.000 1.217 96 L HN 0.480 nan 8.230 nan 0.000 0.418 97 D N -1.659 118.751 120.400 0.017 0.000 2.498 97 D HA 0.188 4.827 4.640 -0.000 0.000 0.223 97 D C 0.460 176.781 176.300 0.035 0.000 1.125 97 D CA 0.006 54.025 54.000 0.032 0.000 0.835 97 D CB 0.714 41.535 40.800 0.034 0.000 1.086 97 D HN 0.083 nan 8.370 nan 0.000 0.510 102 Q N 0.202 119.932 119.800 -0.117 0.000 2.140 102 Q HA 0.660 5.000 4.340 -0.000 0.000 0.227 102 Q C 0.156 176.068 176.000 -0.147 0.000 0.798 102 Q CA -0.534 55.143 55.803 -0.210 0.000 0.987 102 Q CB 1.515 30.029 28.738 -0.373 0.000 1.161 102 Q HN 0.565 nan 8.270 nan 0.000 0.480 103 A N 1.484 124.266 122.820 -0.063 0.000 2.422 103 A HA 0.693 5.013 4.320 -0.000 0.000 0.302 103 A C -1.817 175.794 177.584 0.044 0.000 1.041 103 A CA -0.622 51.410 52.037 -0.007 0.000 0.708 103 A CB 1.796 20.798 19.000 0.003 0.000 1.257 103 A HN 0.173 nan 8.150 nan 0.000 0.414 104 L N 2.981 124.260 121.223 0.094 0.000 2.372 104 L HA 0.726 5.066 4.340 -0.000 0.000 0.274 104 L C -1.295 175.646 176.870 0.118 0.000 0.988 104 L CA -0.343 54.586 54.840 0.147 0.000 0.833 104 L CB 1.821 44.018 42.059 0.230 0.000 1.236 104 L HN 0.473 nan 8.230 nan 0.000 0.410 105 V N 5.913 125.856 119.914 0.048 0.000 2.487 105 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 105 V C -0.211 175.850 176.094 -0.055 0.000 1.028 105 V CA -0.662 61.606 62.300 -0.053 0.000 0.860 105 V CB 1.524 33.342 31.823 -0.009 0.000 0.991 105 V HN 0.596 nan 8.190 nan 0.000 0.427 106 L N 4.040 125.177 121.223 -0.144 0.000 2.322 106 L HA 0.949 5.289 4.340 -0.000 0.000 0.281 106 L C 0.184 176.961 176.870 -0.154 0.000 1.014 106 L CA -0.499 54.258 54.840 -0.139 0.000 0.815 106 L CB 1.782 43.747 42.059 -0.157 0.000 1.247 106 L HN 0.787 nan 8.230 nan 0.000 0.421 107 A N 3.513 126.257 122.820 -0.127 0.000 2.413 107 A HA 0.780 5.099 4.320 -0.000 0.000 0.307 107 A C -2.317 175.209 177.584 -0.098 0.000 1.087 107 A CA -1.516 50.472 52.037 -0.082 0.000 0.750 107 A CB 1.604 20.593 19.000 -0.019 0.000 1.296 107 A HN 0.528 nan 8.150 nan 0.000 0.423 108 P HA -0.028 nan 4.420 nan 0.000 0.222 108 P C 0.524 177.907 177.300 0.139 0.000 1.147 108 P CA 1.995 65.141 63.100 0.076 0.000 0.790 108 P CB 0.060 31.819 31.700 0.099 0.000 0.780 109 T N -5.975 108.622 114.554 0.072 0.000 2.864 109 T HA 0.403 4.753 4.350 -0.000 0.000 0.299 109 T C 0.694 175.426 174.700 0.052 0.000 1.166 109 T CA -0.979 61.173 62.100 0.087 0.000 1.007 109 T CB 2.118 71.032 68.868 0.077 0.000 1.219 109 T HN -0.243 nan 8.240 nan 0.000 0.506 110 R N 0.130 120.666 120.500 0.060 0.000 2.092 110 R HA -0.071 4.269 4.340 -0.000 0.000 0.231 110 R C 2.069 178.391 176.300 0.036 0.000 1.119 110 R CA 1.724 57.851 56.100 0.045 0.000 0.970 110 R CB -0.308 30.023 30.300 0.050 0.000 0.864 110 R HN 0.854 nan 8.270 nan 0.000 0.440 111 E N 0.535 120.756 120.200 0.036 0.000 2.033 111 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 111 E C 1.790 178.407 176.600 0.028 0.000 1.011 111 E CA 1.470 57.886 56.400 0.027 0.000 0.815 111 E CB -0.253 29.461 29.700 0.024 0.000 0.755 111 E HN 0.229 nan 8.360 nan 0.000 0.451 112 L N -0.214 121.029 121.223 0.033 0.000 2.353 112 L HA -0.092 4.248 4.340 -0.000 0.000 0.220 112 L C 1.923 178.818 176.870 0.041 0.000 1.133 112 L CA 1.608 56.471 54.840 0.038 0.000 0.798 112 L CB -0.309 41.776 42.059 0.043 0.000 0.922 112 L HN 0.248 nan 8.230 nan 0.000 0.445 113 A N -1.681 121.160 122.820 0.034 0.000 1.975 113 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 113 A C 2.171 179.776 177.584 0.035 0.000 1.170 113 A CA 1.055 53.113 52.037 0.034 0.000 0.656 113 A CB -0.234 18.782 19.000 0.025 0.000 0.821 113 A HN 0.548 nan 8.150 nan 0.000 0.449 114 Q N -0.589 119.228 119.800 0.029 0.000 2.096 114 Q HA -0.139 4.201 4.340 -0.000 0.000 0.197 114 Q C 2.255 178.265 176.000 0.017 0.000 0.964 114 Q CA 1.370 57.186 55.803 0.022 0.000 0.838 114 Q CB -0.132 28.617 28.738 0.019 0.000 0.906 114 Q HN 0.762 nan 8.270 nan 0.000 0.444 115 Q N 0.611 120.423 119.800 0.019 0.000 2.030 115 Q HA -0.176 4.164 4.340 -0.000 0.000 0.204 115 Q C 2.136 178.145 176.000 0.015 0.000 0.986 115 Q CA 1.341 57.153 55.803 0.015 0.000 0.843 115 Q CB -0.250 28.500 28.738 0.019 0.000 0.904 115 Q HN 0.366 nan 8.270 nan 0.000 0.420 116 I N 1.143 121.732 120.570 0.033 0.000 2.091 116 I HA -0.421 3.749 4.170 -0.000 0.000 0.240 116 I C 2.760 178.891 176.117 0.024 0.000 1.046 116 I CA 1.976 63.303 61.300 0.044 0.000 1.306 116 I CB -0.589 37.471 38.000 0.101 0.000 1.018 116 I HN 0.353 nan 8.210 nan 0.000 0.404 117 Q N 1.664 121.476 119.800 0.021 0.000 2.096 117 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 117 Q C 1.847 177.833 176.000 -0.024 0.000 0.982 117 Q CA 1.907 57.708 55.803 -0.003 0.000 0.850 117 Q CB -0.406 28.328 28.738 -0.006 0.000 0.901 117 Q HN 0.402 nan 8.270 nan 0.000 0.422 118 K N 0.069 120.459 120.400 -0.016 0.000 1.973 118 K HA -0.052 4.268 4.320 -0.000 0.000 0.210 118 K C 2.155 178.742 176.600 -0.023 0.000 1.045 118 K CA 1.472 57.747 56.287 -0.021 0.000 0.937 118 K CB -0.535 31.957 32.500 -0.013 0.000 0.721 118 K HN 0.074 nan 8.250 nan 0.000 0.438 119 V N 1.472 121.374 119.914 -0.020 0.000 2.311 119 V HA -0.319 3.801 4.120 -0.000 0.000 0.256 119 V C 2.278 178.351 176.094 -0.035 0.000 1.077 119 V CA 1.951 64.233 62.300 -0.030 0.000 1.067 119 V CB -0.622 31.176 31.823 -0.042 0.000 0.659 119 V HN 0.149 nan 8.190 nan 0.000 0.451 120 V N -1.447 118.449 119.914 -0.029 0.000 2.255 120 V HA -0.263 3.857 4.120 -0.000 0.000 0.243 120 V C 2.240 178.320 176.094 -0.023 0.000 1.038 120 V CA 2.308 64.595 62.300 -0.023 0.000 1.008 120 V CB -0.612 31.210 31.823 -0.001 0.000 0.645 120 V HN 0.491 nan 8.190 nan 0.000 0.449 121 M N 0.834 120.411 119.600 -0.038 0.000 2.346 121 M HA -0.039 4.440 4.480 -0.000 0.000 0.263 121 M C 1.727 178.008 176.300 -0.032 0.000 1.064 121 M CA 1.518 56.787 55.300 -0.051 0.000 1.083 121 M CB -0.658 31.890 32.600 -0.086 0.000 1.399 121 M HN 0.300 nan 8.290 nan 0.000 0.435 122 A N -0.677 122.128 122.820 -0.024 0.000 2.250 122 A HA 0.189 4.508 4.320 -0.000 0.000 0.208 122 A C 0.629 178.209 177.584 -0.006 0.000 1.254 122 A CA 0.503 52.531 52.037 -0.015 0.000 0.858 122 A CB -0.970 18.022 19.000 -0.013 0.000 0.820 122 A HN 0.505 nan 8.150 nan 0.000 0.484 123 L N -1.193 120.026 121.223 -0.005 0.000 3.025 123 L HA 0.560 4.900 4.340 -0.000 0.000 0.307 123 L C 0.391 177.265 176.870 0.006 0.000 1.303 123 L CA 0.015 54.857 54.840 0.003 0.000 0.817 123 L CB 0.468 42.529 42.059 0.004 0.000 1.227 123 L HN 0.320 nan 8.230 nan 0.000 0.571 132 H N 4.138 123.242 119.070 0.057 0.000 3.018 132 H HA 0.594 5.150 4.556 -0.000 0.000 0.334 132 H C 0.137 175.483 175.328 0.029 0.000 0.983 132 H CA 0.262 56.327 56.048 0.029 0.000 1.363 132 H CB 1.842 31.616 29.762 0.020 0.000 1.668 132 H HN 0.988 nan 8.280 nan 0.000 0.513 133 A N 1.903 124.781 122.820 0.097 0.000 2.371 133 A HA 0.331 4.651 4.320 -0.000 0.000 0.257 133 A C 0.243 177.867 177.584 0.067 0.000 1.089 133 A CA -0.412 51.665 52.037 0.067 0.000 0.794 133 A CB 0.209 19.234 19.000 0.041 0.000 1.029 133 A HN 0.790 nan 8.150 nan 0.000 0.488 134 C N 3.236 122.567 119.300 0.053 0.000 2.200 134 C HA 0.479 4.938 4.460 -0.000 0.000 0.328 134 C C 0.597 175.608 174.990 0.036 0.000 1.148 134 C CA -0.557 58.488 59.018 0.044 0.000 1.624 134 C CB -2.240 25.527 27.740 0.046 0.000 2.167 134 C HN 0.660 nan 8.230 nan 0.000 0.484 135 I N 0.491 121.077 120.570 0.027 0.000 2.488 135 I HA 0.782 4.951 4.170 -0.000 0.000 0.299 135 I C 0.741 176.869 176.117 0.019 0.000 0.984 135 I CA -0.122 61.192 61.300 0.024 0.000 1.250 135 I CB 1.227 39.238 38.000 0.018 0.000 1.389 135 I HN 0.554 nan 8.210 nan 0.000 0.488 136 G N 3.658 112.474 108.800 0.026 0.000 4.144 136 G HA2 0.489 4.449 3.960 -0.000 0.000 0.297 136 G HA3 0.489 4.449 3.960 -0.000 0.000 0.297 136 G C 0.416 175.329 174.900 0.022 0.000 1.090 136 G CA -0.110 45.005 45.100 0.026 0.000 0.870 136 G HN 1.008 nan 8.290 nan 0.000 0.532 137 G N 0.208 109.017 108.800 0.016 0.000 2.661 137 G HA2 0.262 4.222 3.960 -0.000 0.000 0.272 137 G HA3 0.262 4.222 3.960 -0.000 0.000 0.272 137 G C 1.480 176.385 174.900 0.009 0.000 1.296 137 G CA 0.733 45.841 45.100 0.013 0.000 0.998 137 G HN 0.448 nan 8.290 nan 0.000 0.553 138 T N -2.072 112.487 114.554 0.008 0.000 2.946 138 T HA -0.107 4.243 4.350 -0.000 0.000 0.271 138 T C 0.997 175.697 174.700 -0.001 0.000 1.104 138 T CA 0.912 63.016 62.100 0.005 0.000 1.114 138 T CB -0.153 68.718 68.868 0.006 0.000 0.867 138 T HN 0.276 nan 8.240 nan 0.000 0.513 139 N N 1.901 120.599 118.700 -0.004 0.000 2.663 139 N HA 0.297 5.037 4.740 -0.000 0.000 0.250 139 N C 0.882 176.379 175.510 -0.022 0.000 1.129 139 N CA 0.116 53.159 53.050 -0.012 0.000 0.995 139 N CB 1.533 40.014 38.487 -0.010 0.000 1.324 139 N HN 0.506 nan 8.380 nan 0.000 0.512 140 V N -0.539 119.357 119.914 -0.030 0.000 3.350 140 V HA 0.294 4.414 4.120 -0.000 0.000 0.246 140 V C 1.916 177.958 176.094 -0.088 0.000 1.363 140 V CA -0.108 62.161 62.300 -0.053 0.000 1.162 140 V CB 0.305 32.107 31.823 -0.035 0.000 0.947 140 V HN 0.226 nan 8.190 nan 0.000 0.454 141 R N 1.363 121.825 120.500 -0.064 0.000 2.115 141 R HA 0.257 4.596 4.340 -0.000 0.000 0.226 141 R C 2.170 178.424 176.300 -0.077 0.000 1.100 141 R CA 1.559 57.616 56.100 -0.072 0.000 0.980 141 R CB -0.447 29.832 30.300 -0.035 0.000 0.875 141 R HN 0.629 nan 8.270 nan 0.000 0.445 142 A N 0.666 123.450 122.820 -0.061 0.000 1.898 142 A HA -0.140 4.180 4.320 -0.000 0.000 0.214 142 A C 2.009 179.548 177.584 -0.075 0.000 1.183 142 A CA 1.341 53.344 52.037 -0.057 0.000 0.622 142 A CB -0.304 18.673 19.000 -0.038 0.000 0.824 142 A HN 0.378 nan 8.150 nan 0.000 0.444 143 E N -0.003 120.149 120.200 -0.079 0.000 2.033 143 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 143 E C 1.726 178.242 176.600 -0.141 0.000 1.011 143 E CA 2.215 58.560 56.400 -0.091 0.000 0.815 143 E CB -0.686 28.969 29.700 -0.075 0.000 0.755 143 E HN 0.186 nan 8.360 nan 0.000 0.451 144 V N 0.231 120.018 119.914 -0.212 0.000 2.488 144 V HA -0.179 3.940 4.120 -0.000 0.000 0.246 144 V C 2.548 178.490 176.094 -0.253 0.000 1.046 144 V CA 2.174 64.265 62.300 -0.348 0.000 1.053 144 V CB -0.379 31.011 31.823 -0.722 0.000 0.679 144 V HN 0.536 nan 8.190 nan 0.000 0.458 145 Q N -0.120 119.577 119.800 -0.171 0.000 2.152 145 Q HA -0.297 4.043 4.340 -0.000 0.000 0.206 145 Q C 2.372 178.322 176.000 -0.083 0.000 0.985 145 Q CA 2.149 57.895 55.803 -0.096 0.000 0.863 145 Q CB -0.254 28.444 28.738 -0.066 0.000 0.904 145 Q HN 0.485 nan 8.270 nan 0.000 0.422 146 K N 0.053 120.395 120.400 -0.096 0.000 2.097 146 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 146 K C 1.708 178.245 176.600 -0.105 0.000 1.049 146 K CA 0.873 57.103 56.287 -0.095 0.000 0.933 146 K CB -0.008 32.431 32.500 -0.102 0.000 0.717 146 K HN 0.319 nan 8.250 nan 0.000 0.442 147 L N 1.090 122.243 121.223 -0.117 0.000 2.558 147 L HA -0.037 4.303 4.340 -0.000 0.000 0.225 147 L C 2.124 178.970 176.870 -0.039 0.000 1.128 147 L CA 0.718 55.501 54.840 -0.094 0.000 0.868 147 L CB -0.248 41.749 42.059 -0.102 0.000 1.006 147 L HN 0.210 nan 8.230 nan 0.000 0.454 148 Q N -0.814 118.969 119.800 -0.029 0.000 2.061 148 Q HA -0.025 4.314 4.340 -0.000 0.000 0.195 148 Q C 2.182 178.188 176.000 0.009 0.000 0.967 148 Q CA 1.166 56.982 55.803 0.021 0.000 0.829 148 Q CB -0.057 28.705 28.738 0.041 0.000 0.900 148 Q HN 0.408 nan 8.270 nan 0.000 0.450 149 M N 0.774 120.369 119.600 -0.007 0.000 2.132 149 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 149 M C 1.148 177.446 176.300 -0.004 0.000 1.065 149 M CA 1.523 56.820 55.300 -0.005 0.000 1.122 149 M CB 0.280 32.873 32.600 -0.011 0.000 1.365 149 M HN 0.170 nan 8.290 nan 0.000 0.411 150 E N -1.586 118.606 120.200 -0.014 0.000 2.798 150 E HA 0.193 4.543 4.350 -0.000 0.000 0.170 150 E C 0.618 177.209 176.600 -0.015 0.000 0.912 150 E CA 0.589 56.986 56.400 -0.006 0.000 1.349 150 E CB -0.479 29.218 29.700 -0.005 0.000 1.023 150 E HN 0.222 nan 8.360 nan 0.000 0.475 151 A N 1.885 124.681 122.820 -0.040 0.000 1.861 151 A HA 0.238 4.558 4.320 -0.000 0.000 0.212 151 A C -1.331 176.230 177.584 -0.038 0.000 1.199 151 A CA 0.518 52.495 52.037 -0.100 0.000 0.613 151 A CB -1.568 17.341 19.000 -0.151 0.000 0.846 151 A HN 0.161 nan 8.150 nan 0.000 0.446 152 P HA -0.043 nan 4.420 nan 0.000 0.255 152 P C 0.123 177.510 177.300 0.145 0.000 1.173 152 P CA 1.010 64.152 63.100 0.070 0.000 0.780 152 P CB 0.046 31.774 31.700 0.046 0.000 0.758 153 H N 3.529 122.668 119.070 0.115 0.000 2.570 153 H HA 0.372 4.928 4.556 -0.000 0.000 0.268 153 H C 0.348 175.729 175.328 0.088 0.000 1.175 153 H CA 0.324 56.450 56.048 0.131 0.000 1.686 153 H CB 0.616 30.531 29.762 0.255 0.000 1.456 153 H HN 0.185 nan 8.280 nan 0.000 0.592 154 I N 0.835 121.549 120.570 0.240 0.000 2.892 154 I HA 0.273 4.443 4.170 -0.000 0.000 0.306 154 I C -1.142 175.061 176.117 0.144 0.000 1.078 154 I CA -0.912 60.456 61.300 0.113 0.000 1.032 154 I CB 3.093 41.141 38.000 0.079 0.000 1.229 154 I HN 0.152 nan 8.210 nan 0.000 0.435 155 I N 3.631 124.260 120.570 0.098 0.000 2.686 155 I HA 0.635 4.805 4.170 -0.000 0.000 0.295 155 I C -1.488 174.677 176.117 0.080 0.000 1.114 155 I CA -0.563 60.797 61.300 0.099 0.000 1.038 155 I CB 2.072 40.127 38.000 0.092 0.000 1.238 155 I HN 0.279 nan 8.210 nan 0.000 0.420 156 V N 6.430 126.388 119.914 0.073 0.000 2.971 156 V HA 1.049 5.169 4.120 -0.000 0.000 0.309 156 V C -0.634 175.485 176.094 0.043 0.000 1.130 156 V CA 0.502 62.835 62.300 0.055 0.000 0.964 156 V CB 1.598 33.457 31.823 0.060 0.000 1.029 156 V HN 1.025 nan 8.190 nan 0.000 0.427 157 G N 2.608 111.419 108.800 0.019 0.000 2.488 157 G HA2 0.553 4.513 3.960 -0.000 0.000 0.301 157 G HA3 0.553 4.513 3.960 -0.000 0.000 0.301 157 G C -0.481 174.384 174.900 -0.058 0.000 1.339 157 G CA 0.093 45.195 45.100 0.002 0.000 0.803 157 G HN 1.357 nan 8.290 nan 0.000 0.482 158 T N -0.770 113.734 114.554 -0.084 0.000 2.868 158 T HA 0.483 4.833 4.350 -0.000 0.000 0.292 158 T C -1.548 172.976 174.700 -0.293 0.000 1.028 158 T CA -0.956 60.991 62.100 -0.255 0.000 1.059 158 T CB 1.862 70.631 68.868 -0.165 0.000 0.991 158 T HN 0.128 nan 8.240 nan 0.000 0.531 159 P HA -0.037 nan 4.420 nan 0.000 0.216 159 P C 1.825 179.107 177.300 -0.029 0.000 1.153 159 P CA 1.404 64.312 63.100 -0.320 0.000 0.858 159 P CB -0.413 30.970 31.700 -0.529 0.000 0.789 160 G N 0.010 108.835 108.800 0.042 0.000 2.453 160 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.215 160 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.215 160 G C 1.750 176.796 174.900 0.243 0.000 1.201 160 G CA 1.128 46.407 45.100 0.298 0.000 0.784 160 G HN 0.225 nan 8.290 nan 0.000 0.545 161 R N -0.064 120.533 120.500 0.162 0.000 2.070 161 R HA -0.042 4.298 4.340 -0.000 0.000 0.233 161 R C 2.579 178.955 176.300 0.127 0.000 1.137 161 R CA 1.804 57.983 56.100 0.132 0.000 0.945 161 R CB -0.780 29.576 30.300 0.092 0.000 0.845 161 R HN 0.177 nan 8.270 nan 0.000 0.430 162 V N 1.028 121.008 119.914 0.110 0.000 2.324 162 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 162 V C 2.101 178.279 176.094 0.140 0.000 1.060 162 V CA 2.111 64.476 62.300 0.110 0.000 1.042 162 V CB -0.788 31.096 31.823 0.101 0.000 0.650 162 V HN 0.373 nan 8.190 nan 0.000 0.450 163 F N 1.952 121.937 119.950 0.058 0.000 2.026 163 F HA -0.267 4.260 4.527 -0.000 0.000 0.296 163 F C 2.341 178.178 175.800 0.061 0.000 1.133 163 F CA 2.321 60.358 58.000 0.062 0.000 1.188 163 F CB -0.905 38.143 39.000 0.080 0.000 0.968 163 F HN 0.385 nan 8.300 nan 0.000 0.476 164 D N -0.239 120.154 120.400 -0.012 0.000 2.200 164 D HA -0.307 4.333 4.640 -0.000 0.000 0.192 164 D C 2.056 178.282 176.300 -0.123 0.000 1.008 164 D CA 2.595 56.541 54.000 -0.091 0.000 0.872 164 D CB -0.233 40.620 40.800 0.089 0.000 0.923 164 D HN 0.457 nan 8.370 nan 0.000 0.447 165 M N -0.679 118.909 119.600 -0.020 0.000 2.334 165 M HA 0.025 4.505 4.480 -0.000 0.000 0.266 165 M C 2.260 178.544 176.300 -0.028 0.000 1.082 165 M CA 0.393 55.739 55.300 0.076 0.000 1.141 165 M CB -0.040 32.638 32.600 0.129 0.000 1.380 165 M HN 0.173 nan 8.290 nan 0.000 0.440 166 L N 0.247 121.403 121.223 -0.112 0.000 1.994 166 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 166 L C 2.157 178.881 176.870 -0.244 0.000 1.071 166 L CA 1.279 56.032 54.840 -0.145 0.000 0.745 166 L CB -0.759 41.230 42.059 -0.118 0.000 0.892 166 L HN 0.305 nan 8.230 nan 0.000 0.431 167 N N 0.733 119.168 118.700 -0.441 0.000 2.005 167 N HA -0.213 4.527 4.740 -0.000 0.000 0.199 167 N C 1.565 176.887 175.510 -0.313 0.000 1.054 167 N CA 1.512 54.308 53.050 -0.424 0.000 0.864 167 N CB -0.337 37.789 38.487 -0.602 0.000 1.063 167 N HN 0.146 nan 8.380 nan 0.000 0.428 168 R N 0.820 121.109 120.500 -0.352 0.000 2.395 168 R HA 0.061 4.401 4.340 -0.000 0.000 0.202 168 R C 0.456 176.406 176.300 -0.582 0.000 1.088 168 R CA 0.219 56.010 56.100 -0.515 0.000 1.090 168 R CB -0.252 29.623 30.300 -0.708 0.000 0.876 168 R HN 0.269 nan 8.270 nan 0.000 0.477 169 R N -1.611 118.703 120.500 -0.310 0.000 4.018 169 R HA -0.307 4.032 4.340 -0.000 0.000 0.353 169 R C 0.309 176.549 176.300 -0.100 0.000 1.214 169 R CA 1.191 57.180 56.100 -0.185 0.000 1.059 169 R CB -1.768 28.432 30.300 -0.167 0.000 1.512 169 R HN 0.506 nan 8.270 nan 0.000 0.566 170 Y N -0.801 119.467 120.300 -0.054 0.000 2.256 170 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 170 Y C 0.873 176.752 175.900 -0.034 0.000 1.155 170 Y CA 0.164 58.240 58.100 -0.039 0.000 1.203 170 Y CB 0.167 38.605 38.460 -0.037 0.000 0.980 170 Y HN -0.021 nan 8.280 nan 0.000 0.530 171 L N 0.124 121.411 121.223 0.107 0.000 2.329 171 L HA 0.253 4.593 4.340 -0.000 0.000 0.279 171 L C -0.095 176.777 176.870 0.003 0.000 1.014 171 L CA -0.898 53.972 54.840 0.050 0.000 0.814 171 L CB 1.522 43.607 42.059 0.044 0.000 1.257 171 L HN -0.161 nan 8.230 nan 0.000 0.424 172 S N 2.718 118.420 115.700 0.004 0.000 2.422 172 S HA 0.529 4.999 4.470 -0.000 0.000 0.308 172 S C -2.171 172.415 174.600 -0.023 0.000 1.097 172 S CA -1.242 56.951 58.200 -0.012 0.000 1.099 172 S CB 1.232 64.433 63.200 0.002 0.000 0.976 172 S HN 0.450 nan 8.310 nan 0.000 0.471 173 P HA 0.100 nan 4.420 nan 0.000 0.247 173 P C 0.506 177.774 177.300 -0.053 0.000 1.225 173 P CA 0.212 63.270 63.100 -0.070 0.000 0.768 173 P CB 0.061 31.705 31.700 -0.094 0.000 1.020 174 K N -0.090 120.301 120.400 -0.016 0.000 2.001 174 K HA -0.120 4.199 4.320 -0.000 0.000 0.221 174 K C 0.795 177.445 176.600 0.083 0.000 0.991 174 K CA 1.093 57.391 56.287 0.019 0.000 1.047 174 K CB -1.155 31.366 32.500 0.035 0.000 0.867 174 K HN 0.101 nan 8.250 nan 0.000 0.469 175 Y N 0.877 121.146 120.300 -0.053 0.000 2.568 175 Y HA 0.241 4.791 4.550 -0.000 0.000 0.338 175 Y C -0.869 175.002 175.900 -0.048 0.000 1.245 175 Y CA -0.666 57.404 58.100 -0.050 0.000 1.667 175 Y CB -0.134 38.303 38.460 -0.039 0.000 1.568 175 Y HN 0.101 nan 8.280 nan 0.000 0.471 176 I N 5.694 126.238 120.570 -0.044 0.000 2.698 176 I HA 0.087 4.257 4.170 -0.000 0.000 0.276 176 I C 0.366 176.411 176.117 -0.120 0.000 1.166 176 I CA -0.301 60.919 61.300 -0.133 0.000 1.101 176 I CB 1.291 39.236 38.000 -0.092 0.000 1.305 176 I HN 0.407 nan 8.210 nan 0.000 0.526 177 K N 3.857 124.158 120.400 -0.165 0.000 2.476 177 K HA 0.327 4.646 4.320 -0.000 0.000 0.196 177 K C 0.217 176.797 176.600 -0.033 0.000 1.025 177 K CA 0.157 56.399 56.287 -0.075 0.000 1.138 177 K CB 0.354 32.828 32.500 -0.043 0.000 0.860 177 K HN 0.396 nan 8.250 nan 0.000 0.515 178 M N 1.270 120.858 119.600 -0.019 0.000 2.263 178 M HA 0.384 4.864 4.480 -0.000 0.000 0.295 178 M C -2.099 174.295 176.300 0.157 0.000 1.028 178 M CA -0.975 54.355 55.300 0.051 0.000 0.921 178 M CB 1.613 34.225 32.600 0.020 0.000 1.601 178 M HN 0.163 nan 8.290 nan 0.000 0.440 179 F N 5.977 125.912 119.950 -0.025 0.000 2.577 179 F HA 0.725 5.252 4.527 -0.000 0.000 0.344 179 F C -1.643 174.147 175.800 -0.017 0.000 1.145 179 F CA -0.832 57.162 58.000 -0.010 0.000 0.996 179 F CB 1.084 40.101 39.000 0.029 0.000 1.248 179 F HN 0.373 nan 8.300 nan 0.000 0.447 180 V N 6.989 126.707 119.914 -0.327 0.000 2.435 180 V HA 0.353 4.473 4.120 -0.000 0.000 0.290 180 V C -0.236 175.491 176.094 -0.611 0.000 1.030 180 V CA -0.661 61.361 62.300 -0.463 0.000 0.881 180 V CB 1.774 33.302 31.823 -0.491 0.000 0.983 180 V HN 0.585 nan 8.190 nan 0.000 0.445 181 L N 4.294 125.190 121.223 -0.544 0.000 2.371 181 L HA 0.453 4.793 4.340 -0.000 0.000 0.262 181 L C -0.096 176.576 176.870 -0.329 0.000 1.054 181 L CA -0.121 54.454 54.840 -0.442 0.000 0.924 181 L CB 0.836 42.671 42.059 -0.373 0.000 1.295 181 L HN 0.541 nan 8.230 nan 0.000 0.441 182 D N 3.755 123.970 120.400 -0.308 0.000 2.264 182 D HA 0.072 4.712 4.640 -0.000 0.000 0.250 182 D C 0.162 176.399 176.300 -0.105 0.000 1.113 182 D CA 0.019 53.892 54.000 -0.211 0.000 0.871 182 D CB 0.941 41.640 40.800 -0.168 0.000 1.167 182 D HN 0.447 nan 8.370 nan 0.000 0.447 183 E N 1.641 121.808 120.200 -0.055 0.000 2.369 183 E HA -0.262 4.088 4.350 -0.000 0.000 0.165 183 E C 0.391 176.968 176.600 -0.039 0.000 1.622 183 E CA 0.304 56.690 56.400 -0.023 0.000 0.660 183 E CB -0.767 28.939 29.700 0.010 0.000 1.085 183 E HN 0.546 nan 8.360 nan 0.000 0.346 184 A N 2.684 125.467 122.820 -0.062 0.000 1.873 184 A HA -0.248 4.072 4.320 -0.000 0.000 0.215 184 A C 1.830 179.392 177.584 -0.037 0.000 1.186 184 A CA 1.822 53.815 52.037 -0.073 0.000 0.616 184 A CB -0.172 18.766 19.000 -0.103 0.000 0.823 184 A HN 0.635 nan 8.150 nan 0.000 0.442 185 D N 0.440 120.826 120.400 -0.025 0.000 2.133 185 D HA -0.244 4.396 4.640 -0.000 0.000 0.192 185 D C 1.482 177.788 176.300 0.009 0.000 1.001 185 D CA 1.777 55.772 54.000 -0.009 0.000 0.844 185 D CB -0.711 40.087 40.800 -0.002 0.000 0.944 185 D HN 0.545 nan 8.370 nan 0.000 0.447 186 E N 0.136 120.349 120.200 0.021 0.000 2.028 186 E HA -0.051 4.298 4.350 -0.000 0.000 0.190 186 E C 2.480 179.134 176.600 0.091 0.000 0.984 186 E CA 0.528 56.956 56.400 0.045 0.000 0.800 186 E CB -0.351 29.377 29.700 0.047 0.000 0.758 186 E HN 0.399 nan 8.360 nan 0.000 0.448 187 M N 0.441 120.103 119.600 0.104 0.000 2.089 187 M HA -0.220 4.260 4.480 -0.000 0.000 0.257 187 M C 2.299 178.736 176.300 0.228 0.000 1.071 187 M CA 1.334 56.767 55.300 0.221 0.000 1.096 187 M CB -0.293 32.340 32.600 0.055 0.000 1.330 187 M HN 0.101 nan 8.290 nan 0.000 0.403 188 L N -0.042 121.229 121.223 0.080 0.000 2.005 188 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 188 L C 2.793 179.671 176.870 0.014 0.000 1.072 188 L CA 2.351 57.212 54.840 0.035 0.000 0.744 188 L CB -1.527 40.524 42.059 -0.013 0.000 0.895 188 L HN 0.408 nan 8.230 nan 0.000 0.433 189 S N -1.112 114.593 115.700 0.009 0.000 2.507 189 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 189 S C 1.825 176.401 174.600 -0.040 0.000 0.988 189 S CA 0.430 58.622 58.200 -0.013 0.000 0.944 189 S CB -0.364 62.833 63.200 -0.004 0.000 0.762 189 S HN 0.368 nan 8.310 nan 0.000 0.526 190 R N 0.759 121.233 120.500 -0.044 0.000 2.310 190 R HA 0.223 4.563 4.340 -0.000 0.000 0.202 190 R C 1.139 177.216 176.300 -0.372 0.000 0.933 190 R CA 0.408 56.408 56.100 -0.166 0.000 1.054 190 R CB -0.238 29.999 30.300 -0.106 0.000 0.985 190 R HN 0.594 nan 8.270 nan 0.000 0.489 191 G N 0.553 109.214 108.800 -0.231 0.000 2.204 191 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.244 191 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.244 191 G C 0.096 174.846 174.900 -0.249 0.000 1.062 191 G CA -0.398 44.571 45.100 -0.218 0.000 0.798 191 G HN 0.296 nan 8.290 nan 0.000 0.496 192 F N 0.171 120.104 119.950 -0.029 0.000 2.727 192 F HA 0.304 4.831 4.527 -0.000 0.000 0.302 192 F C 2.202 177.962 175.800 -0.067 0.000 1.097 192 F CA 0.362 58.340 58.000 -0.037 0.000 1.330 192 F CB 0.188 39.168 39.000 -0.033 0.000 1.084 192 F HN 0.316 nan 8.300 nan 0.000 0.578 193 K N 0.892 121.340 120.400 0.080 0.000 1.998 193 K HA -0.283 4.037 4.320 -0.000 0.000 0.228 193 K C 1.487 178.115 176.600 0.046 0.000 1.053 193 K CA 2.579 58.874 56.287 0.013 0.000 0.988 193 K CB -0.248 32.295 32.500 0.072 0.000 0.735 193 K HN 0.080 nan 8.250 nan 0.000 0.448 194 D N 0.243 120.705 120.400 0.104 0.000 2.160 194 D HA -0.224 4.416 4.640 -0.000 0.000 0.189 194 D C 2.113 178.430 176.300 0.029 0.000 1.003 194 D CA 1.708 55.769 54.000 0.101 0.000 0.846 194 D CB -0.587 40.223 40.800 0.017 0.000 0.949 194 D HN 0.333 nan 8.370 nan 0.000 0.446 195 Q N -0.233 119.558 119.800 -0.014 0.000 2.181 195 Q HA -0.069 4.271 4.340 -0.000 0.000 0.205 195 Q C 2.332 178.340 176.000 0.012 0.000 0.980 195 Q CA 0.818 56.567 55.803 -0.090 0.000 0.862 195 Q CB -0.184 28.594 28.738 0.066 0.000 0.905 195 Q HN 0.439 nan 8.270 nan 0.000 0.429 196 I N -1.304 119.281 120.570 0.026 0.000 2.286 196 I HA -0.239 3.930 4.170 -0.000 0.000 0.245 196 I C 1.422 177.677 176.117 0.230 0.000 1.104 196 I CA 0.870 62.213 61.300 0.072 0.000 1.397 196 I CB -0.232 37.685 38.000 -0.139 0.000 1.072 196 I HN 0.167 nan 8.210 nan 0.000 0.417 197 Y N 1.330 121.787 120.300 0.262 0.000 2.145 197 Y HA -0.250 4.299 4.550 -0.000 0.000 0.286 197 Y C 2.354 178.416 175.900 0.270 0.000 1.145 197 Y CA 1.229 59.543 58.100 0.356 0.000 1.148 197 Y CB -0.853 37.706 38.460 0.165 0.000 0.981 197 Y HN 0.184 nan 8.280 nan 0.000 0.507 198 D N -0.177 120.370 120.400 0.244 0.000 2.144 198 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 198 D C 2.222 178.644 176.300 0.204 0.000 0.984 198 D CA 1.237 55.304 54.000 0.112 0.000 0.834 198 D CB -0.464 40.173 40.800 -0.272 0.000 0.955 198 D HN 0.304 nan 8.370 nan 0.000 0.465 199 I N -0.299 120.403 120.570 0.219 0.000 2.493 199 I HA -0.206 3.964 4.170 -0.000 0.000 0.254 199 I C 1.928 178.028 176.117 -0.028 0.000 1.160 199 I CA 0.493 61.906 61.300 0.189 0.000 1.445 199 I CB 0.006 38.140 38.000 0.223 0.000 1.086 199 I HN -0.065 nan 8.210 nan 0.000 0.433 200 F N 1.297 121.172 119.950 -0.126 0.000 2.149 200 F HA -0.176 4.351 4.527 -0.000 0.000 0.294 200 F C 2.369 178.019 175.800 -0.251 0.000 1.095 200 F CA 1.196 58.954 58.000 -0.403 0.000 1.276 200 F CB -0.098 38.452 39.000 -0.751 0.000 1.023 200 F HN -0.046 nan 8.300 nan 0.000 0.480 201 Q N 0.016 119.940 119.800 0.206 0.000 2.576 201 Q HA -0.212 4.128 4.340 -0.000 0.000 0.218 201 Q C 1.280 177.284 176.000 0.008 0.000 0.983 201 Q CA 0.968 56.849 55.803 0.130 0.000 0.920 201 Q CB -0.121 28.713 28.738 0.160 0.000 0.973 201 Q HN 0.244 nan 8.270 nan 0.000 0.528 202 K N -0.576 119.783 120.400 -0.068 0.000 2.355 202 K HA 0.231 4.551 4.320 -0.000 0.000 0.198 202 K C -0.408 176.069 176.600 -0.204 0.000 1.039 202 K CA 0.052 56.289 56.287 -0.084 0.000 1.075 202 K CB 0.723 33.215 32.500 -0.013 0.000 0.870 202 K HN 0.013 nan 8.250 nan 0.000 0.540 203 L N 0.701 121.692 121.223 -0.386 0.000 2.319 203 L HA 0.389 4.729 4.340 -0.000 0.000 0.267 203 L C -0.423 176.166 176.870 -0.469 0.000 1.011 203 L CA -1.167 53.391 54.840 -0.471 0.000 0.818 203 L CB 1.992 43.638 42.059 -0.688 0.000 1.316 203 L HN 0.099 nan 8.230 nan 0.000 0.432 204 N N -0.492 118.011 118.700 -0.330 0.000 2.340 204 N HA -0.032 4.708 4.740 -0.000 0.000 0.236 204 N C 0.732 176.076 175.510 -0.277 0.000 1.296 204 N CA 0.325 53.237 53.050 -0.230 0.000 0.896 204 N CB 0.516 38.924 38.487 -0.133 0.000 1.127 204 N HN 0.685 nan 8.380 nan 0.000 0.442 205 S N 0.335 115.952 115.700 -0.138 0.000 2.461 205 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 205 S C 1.119 175.704 174.600 -0.025 0.000 1.005 205 S CA 0.845 59.014 58.200 -0.051 0.000 0.942 205 S CB -0.592 62.614 63.200 0.010 0.000 0.776 205 S HN 0.716 nan 8.310 nan 0.000 0.514 206 N N 2.326 120.998 118.700 -0.047 0.000 2.364 206 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 206 N C 0.614 176.115 175.510 -0.016 0.000 1.022 206 N CA 1.028 54.065 53.050 -0.022 0.000 0.883 206 N CB -1.155 37.322 38.487 -0.015 0.000 0.965 206 N HN 0.557 nan 8.380 nan 0.000 0.438 207 T N -1.661 112.862 114.554 -0.051 0.000 2.940 207 T HA -0.065 4.285 4.350 -0.000 0.000 0.309 207 T C 0.072 174.804 174.700 0.052 0.000 1.056 207 T CA -0.721 61.358 62.100 -0.036 0.000 1.137 207 T CB 1.060 69.838 68.868 -0.149 0.000 0.976 207 T HN 0.235 nan 8.240 nan 0.000 0.547 208 Q N 1.249 121.087 119.800 0.063 0.000 2.337 208 Q HA 0.390 4.730 4.340 -0.000 0.000 0.270 208 Q C -1.259 174.843 176.000 0.171 0.000 1.002 208 Q CA -0.400 55.458 55.803 0.092 0.000 0.888 208 Q CB 0.527 29.305 28.738 0.066 0.000 1.222 208 Q HN 0.655 nan 8.270 nan 0.000 0.400 209 V N 5.215 125.236 119.914 0.178 0.000 2.409 209 V HA 0.329 4.449 4.120 -0.000 0.000 0.290 209 V C -0.802 175.345 176.094 0.088 0.000 1.017 209 V CA -0.688 61.742 62.300 0.217 0.000 0.841 209 V CB 1.778 33.816 31.823 0.357 0.000 1.003 209 V HN 0.570 nan 8.190 nan 0.000 0.426 210 V N 6.559 126.466 119.914 -0.011 0.000 2.417 210 V HA 0.531 4.651 4.120 -0.000 0.000 0.291 210 V C -0.335 175.666 176.094 -0.154 0.000 1.024 210 V CA -0.553 61.708 62.300 -0.066 0.000 0.861 210 V CB 1.859 33.633 31.823 -0.080 0.000 0.985 210 V HN 0.724 nan 8.190 nan 0.000 0.436 211 L N 6.410 127.569 121.223 -0.107 0.000 2.322 211 L HA 0.748 5.088 4.340 -0.000 0.000 0.281 211 L C -1.323 175.486 176.870 -0.102 0.000 1.014 211 L CA -0.338 54.420 54.840 -0.136 0.000 0.815 211 L CB 1.470 43.468 42.059 -0.100 0.000 1.247 211 L HN 0.544 nan 8.230 nan 0.000 0.421 212 L N 4.592 125.742 121.223 -0.121 0.000 2.346 212 L HA 0.777 5.117 4.340 -0.000 0.000 0.274 212 L C -0.446 176.399 176.870 -0.042 0.000 1.007 212 L CA -0.227 54.579 54.840 -0.056 0.000 0.818 212 L CB 2.081 44.124 42.059 -0.026 0.000 1.284 212 L HN 0.698 nan 8.230 nan 0.000 0.424 213 S N 0.833 116.525 115.700 -0.012 0.000 2.556 213 S HA 0.560 5.030 4.470 -0.000 0.000 0.280 213 S C 0.262 174.867 174.600 0.009 0.000 1.141 213 S CA 0.105 58.301 58.200 -0.007 0.000 0.883 213 S CB 1.418 64.604 63.200 -0.023 0.000 1.103 213 S HN 0.725 nan 8.310 nan 0.000 0.453 214 A N 2.692 125.521 122.820 0.015 0.000 1.969 214 A HA 0.298 4.618 4.320 -0.000 0.000 0.218 214 A C 1.155 178.748 177.584 0.015 0.000 1.169 214 A CA 1.828 53.878 52.037 0.021 0.000 0.635 214 A CB -0.831 18.186 19.000 0.027 0.000 0.810 214 A HN 1.415 nan 8.150 nan 0.000 0.445 215 T N -3.724 110.836 114.554 0.009 0.000 2.901 215 T HA 0.676 5.026 4.350 -0.000 0.000 0.293 215 T C -0.534 174.166 174.700 -0.001 0.000 1.084 215 T CA -0.769 61.334 62.100 0.006 0.000 1.008 215 T CB 1.508 70.380 68.868 0.007 0.000 1.170 215 T HN -0.012 nan 8.240 nan 0.000 0.509 216 M N 1.549 121.148 119.600 -0.002 0.000 2.126 216 M HA 0.344 4.824 4.480 -0.000 0.000 0.217 216 M C -2.813 173.482 176.300 -0.007 0.000 0.873 216 M CA -1.612 53.684 55.300 -0.007 0.000 0.707 216 M CB 0.076 32.673 32.600 -0.004 0.000 1.515 216 M HN 0.458 nan 8.290 nan 0.000 0.369 217 P HA 0.334 nan 4.420 nan 0.000 0.282 217 P C 0.866 178.159 177.300 -0.011 0.000 1.286 217 P CA -0.240 62.855 63.100 -0.008 0.000 0.777 217 P CB 0.675 32.370 31.700 -0.008 0.000 1.184 218 S N -0.620 115.075 115.700 -0.009 0.000 2.423 218 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 218 S C 1.036 175.629 174.600 -0.011 0.000 1.014 218 S CA 1.611 59.806 58.200 -0.009 0.000 0.965 218 S CB -0.879 62.317 63.200 -0.006 0.000 0.785 218 S HN 0.547 nan 8.310 nan 0.000 0.495 219 D N 0.924 121.318 120.400 -0.011 0.000 2.183 219 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 219 D C 1.747 178.024 176.300 -0.038 0.000 0.969 219 D CA 0.512 54.505 54.000 -0.012 0.000 0.842 219 D CB -0.161 40.633 40.800 -0.009 0.000 0.957 219 D HN 0.224 nan 8.370 nan 0.000 0.484 220 V N 0.640 120.528 119.914 -0.043 0.000 2.407 220 V HA -0.123 3.997 4.120 -0.000 0.000 0.245 220 V C 2.356 178.415 176.094 -0.058 0.000 1.041 220 V CA 0.887 63.149 62.300 -0.063 0.000 1.040 220 V CB -0.494 31.300 31.823 -0.048 0.000 0.671 220 V HN 0.225 nan 8.190 nan 0.000 0.455 221 L N 0.130 121.332 121.223 -0.034 0.000 2.013 221 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 221 L C 2.602 179.454 176.870 -0.030 0.000 1.073 221 L CA 2.296 57.121 54.840 -0.025 0.000 0.753 221 L CB -0.773 41.279 42.059 -0.013 0.000 0.890 221 L HN 0.411 nan 8.230 nan 0.000 0.432 222 E N 0.067 120.251 120.200 -0.027 0.000 2.171 222 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 222 E C 2.088 178.668 176.600 -0.034 0.000 0.997 222 E CA 1.532 57.922 56.400 -0.017 0.000 0.810 222 E CB 0.146 29.849 29.700 0.005 0.000 0.738 222 E HN 0.331 nan 8.360 nan 0.000 0.467 223 V N 0.460 120.315 119.914 -0.098 0.000 2.535 223 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 223 V C 2.425 178.405 176.094 -0.190 0.000 1.045 223 V CA 1.768 63.907 62.300 -0.268 0.000 1.058 223 V CB -0.512 31.045 31.823 -0.442 0.000 0.689 223 V HN 0.454 nan 8.190 nan 0.000 0.461 224 T N -0.970 113.531 114.554 -0.087 0.000 2.635 224 T HA -0.299 4.051 4.350 -0.000 0.000 0.267 224 T C 1.863 176.577 174.700 0.024 0.000 1.040 224 T CA 1.578 63.673 62.100 -0.009 0.000 1.156 224 T CB -0.349 68.515 68.868 -0.008 0.000 0.863 224 T HN 0.332 nan 8.240 nan 0.000 0.430 225 K N 0.919 121.323 120.400 0.007 0.000 2.001 225 K HA -0.203 4.117 4.320 -0.000 0.000 0.223 225 K C 2.400 179.025 176.600 0.041 0.000 1.055 225 K CA 2.059 58.357 56.287 0.018 0.000 0.965 225 K CB -0.250 32.252 32.500 0.003 0.000 0.730 225 K HN 0.188 nan 8.250 nan 0.000 0.449 226 K N -0.507 119.924 120.400 0.052 0.000 2.459 226 K HA -0.003 4.317 4.320 -0.000 0.000 0.193 226 K C 1.367 178.116 176.600 0.247 0.000 1.030 226 K CA 0.810 57.163 56.287 0.110 0.000 1.026 226 K CB 0.201 32.756 32.500 0.091 0.000 0.809 226 K HN 0.022 nan 8.250 nan 0.000 0.504 227 F N -0.956 118.890 119.950 -0.173 0.000 2.592 227 F HA 0.398 4.925 4.527 -0.000 0.000 0.280 227 F C 0.456 176.180 175.800 -0.126 0.000 1.083 227 F CA 0.021 57.823 58.000 -0.330 0.000 1.365 227 F CB 0.088 38.944 39.000 -0.241 0.000 1.100 227 F HN -0.165 nan 8.300 nan 0.000 0.633 228 M N -0.077 119.610 119.600 0.144 0.000 2.508 228 M HA 0.406 4.886 4.480 -0.000 0.000 0.327 228 M C -0.213 176.128 176.300 0.069 0.000 1.160 228 M CA -0.389 54.975 55.300 0.108 0.000 0.980 228 M CB 2.589 35.250 32.600 0.102 0.000 1.693 228 M HN -0.250 nan 8.290 nan 0.000 0.452 229 R N 1.681 122.215 120.500 0.057 0.000 2.320 229 R HA 0.261 4.601 4.340 -0.000 0.000 0.319 229 R C -1.364 174.956 176.300 0.033 0.000 0.969 229 R CA -0.171 55.952 56.100 0.038 0.000 0.857 229 R CB 0.577 30.895 30.300 0.029 0.000 1.160 229 R HN 0.800 nan 8.270 nan 0.000 0.491 230 D N 3.389 123.811 120.400 0.037 0.000 4.044 230 D HA -0.099 4.541 4.640 -0.000 0.000 0.242 230 D C -2.500 173.830 176.300 0.050 0.000 1.076 230 D CA 0.321 54.346 54.000 0.042 0.000 1.171 230 D CB 0.321 41.145 40.800 0.040 0.000 0.866 230 D HN 0.365 nan 8.370 nan 0.000 0.413 231 P HA 0.540 nan 4.420 nan 0.000 0.285 231 P C -0.384 176.937 177.300 0.035 0.000 1.280 231 P CA -0.711 62.416 63.100 0.044 0.000 0.862 231 P CB 0.845 32.569 31.700 0.040 0.000 1.153 232 I N 1.384 121.959 120.570 0.008 0.000 2.306 232 I HA 0.297 4.467 4.170 -0.000 0.000 0.288 232 I C 0.664 176.798 176.117 0.028 0.000 1.036 232 I CA -0.487 60.803 61.300 -0.016 0.000 1.221 232 I CB 0.505 38.401 38.000 -0.175 0.000 1.385 232 I HN 0.060 nan 8.210 nan 0.000 0.472 233 R N 6.801 127.343 120.500 0.070 0.000 2.242 233 R HA 0.501 4.841 4.340 -0.000 0.000 0.334 233 R C -0.448 175.914 176.300 0.105 0.000 1.071 233 R CA -0.074 56.070 56.100 0.073 0.000 0.922 233 R CB 0.531 30.870 30.300 0.065 0.000 1.023 233 R HN 0.552 nan 8.270 nan 0.000 0.458 234 I N 3.005 123.629 120.570 0.090 0.000 2.924 234 I HA 0.497 4.667 4.170 -0.000 0.000 0.316 234 I C -0.297 175.864 176.117 0.073 0.000 1.014 234 I CA -1.159 60.206 61.300 0.107 0.000 1.106 234 I CB 1.468 39.535 38.000 0.112 0.000 1.311 234 I HN 0.428 nan 8.210 nan 0.000 0.502 235 L N 3.405 124.669 121.223 0.067 0.000 2.710 235 L HA 0.393 4.733 4.340 -0.000 0.000 0.262 235 L C -1.750 175.145 176.870 0.041 0.000 0.940 235 L CA -0.358 54.510 54.840 0.047 0.000 0.944 235 L CB 1.593 43.675 42.059 0.038 0.000 1.348 235 L HN 0.297 nan 8.230 nan 0.000 0.425 236 V N 4.729 124.665 119.914 0.037 0.000 2.383 236 V HA 0.378 4.498 4.120 -0.000 0.000 0.264 236 V C 0.158 176.266 176.094 0.024 0.000 1.001 236 V CA -0.518 61.800 62.300 0.029 0.000 0.828 236 V CB 1.020 32.862 31.823 0.032 0.000 1.069 236 V HN 0.716 nan 8.190 nan 0.000 0.451 237 K N 1.408 121.820 120.400 0.020 0.000 2.720 237 K HA 0.507 4.827 4.320 -0.000 0.000 0.281 237 K C 0.748 177.357 176.600 0.015 0.000 1.019 237 K CA -0.641 55.657 56.287 0.018 0.000 1.088 237 K CB 0.435 32.944 32.500 0.016 0.000 1.449 237 K HN 0.264 nan 8.250 nan 0.000 0.542 238 K N -0.610 119.799 120.400 0.014 0.000 3.580 238 K HA -0.239 4.081 4.320 -0.000 0.000 0.288 238 K C 0.356 176.964 176.600 0.013 0.000 1.160 238 K CA 1.370 57.664 56.287 0.011 0.000 1.053 238 K CB -1.153 31.352 32.500 0.007 0.000 1.362 238 K HN 0.677 nan 8.250 nan 0.000 0.436 247 R N 5.041 125.584 120.500 0.072 0.000 2.357 247 R HA 0.717 5.057 4.340 -0.000 0.000 0.296 247 R C -1.109 175.263 176.300 0.120 0.000 1.052 247 R CA -0.033 56.122 56.100 0.091 0.000 0.988 247 R CB 0.955 31.362 30.300 0.179 0.000 1.025 247 R HN 0.538 nan 8.270 nan 0.000 0.469 248 Q N 3.526 123.337 119.800 0.019 0.000 2.292 248 Q HA 0.402 4.742 4.340 -0.000 0.000 0.270 248 Q C -1.264 174.676 176.000 -0.100 0.000 1.024 248 Q CA -0.434 55.404 55.803 0.057 0.000 0.768 248 Q CB 1.981 30.758 28.738 0.065 0.000 1.250 248 Q HN 0.412 nan 8.270 nan 0.000 0.447 249 F N 1.262 121.268 119.950 0.092 0.000 2.639 249 F HA 0.643 5.170 4.527 -0.000 0.000 0.339 249 F C -0.796 175.099 175.800 0.158 0.000 1.071 249 F CA -0.926 57.110 58.000 0.060 0.000 0.994 249 F CB 1.610 40.600 39.000 -0.017 0.000 1.341 249 F HN 0.474 nan 8.300 nan 0.000 0.498 250 Y N 0.979 121.438 120.300 0.265 0.000 2.441 250 Y HA 0.685 5.235 4.550 -0.000 0.000 0.334 250 Y C -1.249 174.735 175.900 0.140 0.000 1.061 250 Y CA -1.729 56.463 58.100 0.154 0.000 1.032 250 Y CB 0.657 39.167 38.460 0.084 0.000 1.266 250 Y HN 0.610 nan 8.280 nan 0.000 0.441 251 I N 1.933 122.613 120.570 0.184 0.000 3.210 251 I HA 0.609 4.779 4.170 -0.000 0.000 0.316 251 I C -0.954 175.279 176.117 0.193 0.000 1.067 251 I CA -0.669 60.696 61.300 0.107 0.000 1.047 251 I CB 1.863 39.898 38.000 0.058 0.000 1.352 251 I HN 0.797 nan 8.210 nan 0.000 0.565 252 N N 3.272 122.058 118.700 0.143 0.000 2.762 252 N HA 0.203 4.942 4.740 -0.000 0.000 0.252 252 N C -1.273 174.317 175.510 0.133 0.000 1.269 252 N CA -0.340 52.800 53.050 0.150 0.000 0.799 252 N CB 1.195 39.780 38.487 0.162 0.000 1.173 252 N HN 0.621 nan 8.380 nan 0.000 0.516 253 V N 1.509 121.501 119.914 0.131 0.000 2.572 253 V HA 0.290 4.410 4.120 -0.000 0.000 0.291 253 V C 1.030 177.220 176.094 0.159 0.000 1.039 253 V CA 0.318 62.735 62.300 0.195 0.000 1.055 253 V CB 1.374 33.307 31.823 0.182 0.000 0.969 253 V HN 0.382 nan 8.190 nan 0.000 0.482 254 E N 4.361 124.699 120.200 0.230 0.000 2.140 254 E HA 0.127 4.477 4.350 -0.000 0.000 0.191 254 E C 0.691 177.226 176.600 -0.108 0.000 0.973 254 E CA 0.664 57.112 56.400 0.080 0.000 0.829 254 E CB 0.205 29.984 29.700 0.132 0.000 0.781 254 E HN 0.795 nan 8.360 nan 0.000 0.466 255 R N 0.793 121.067 120.500 -0.376 0.000 2.474 255 R HA 0.197 4.537 4.340 -0.000 0.000 0.295 255 R C 1.046 177.159 176.300 -0.311 0.000 0.980 255 R CA -0.175 55.584 56.100 -0.567 0.000 0.934 255 R CB 0.944 30.502 30.300 -1.235 0.000 1.101 255 R HN -0.074 nan 8.270 nan 0.000 0.469 256 E N 2.057 122.133 120.200 -0.208 0.000 2.409 256 E HA -0.191 4.159 4.350 -0.000 0.000 0.198 256 E C 0.588 177.166 176.600 -0.036 0.000 1.024 256 E CA 0.983 57.321 56.400 -0.103 0.000 0.861 256 E CB 0.378 30.019 29.700 -0.099 0.000 0.788 256 E HN 0.638 nan 8.360 nan 0.000 0.521 257 E N -0.600 119.550 120.200 -0.083 0.000 2.285 257 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 257 E C 1.479 178.315 176.600 0.393 0.000 0.997 257 E CA 0.312 56.776 56.400 0.107 0.000 0.845 257 E CB -0.491 29.228 29.700 0.032 0.000 0.782 257 E HN 0.386 nan 8.360 nan 0.000 0.491 258 W N 1.685 123.023 121.300 0.064 0.000 2.825 258 W HA 0.075 4.735 4.660 -0.000 0.000 0.243 258 W C 2.034 178.585 176.519 0.053 0.000 1.293 258 W CA -0.197 57.182 57.345 0.057 0.000 1.403 258 W CB 0.217 29.696 29.460 0.032 0.000 1.134 258 W HN 0.081 nan 8.180 nan 0.000 0.666 259 K N 0.259 120.821 120.400 0.270 0.000 2.031 259 K HA -0.190 4.130 4.320 -0.000 0.000 0.205 259 K C 1.994 178.750 176.600 0.260 0.000 1.049 259 K CA 0.993 57.331 56.287 0.084 0.000 0.939 259 K CB -0.478 31.891 32.500 -0.219 0.000 0.717 259 K HN 0.033 nan 8.250 nan 0.000 0.438 260 L N 1.863 123.345 121.223 0.432 0.000 2.079 260 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 260 L C 1.540 178.562 176.870 0.254 0.000 1.081 260 L CA 1.922 57.013 54.840 0.420 0.000 0.752 260 L CB -0.452 41.849 42.059 0.403 0.000 0.896 260 L HN 0.202 nan 8.230 nan 0.000 0.433 261 D N -0.948 119.591 120.400 0.231 0.000 2.084 261 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 261 D C 1.847 178.190 176.300 0.072 0.000 0.985 261 D CA 2.148 56.222 54.000 0.123 0.000 0.826 261 D CB 0.078 40.917 40.800 0.065 0.000 0.978 261 D HN 0.559 nan 8.370 nan 0.000 0.456 262 T N -0.354 114.250 114.554 0.084 0.000 3.098 262 T HA -0.066 4.284 4.350 -0.000 0.000 0.266 262 T C 1.870 176.608 174.700 0.063 0.000 1.145 262 T CA 0.211 62.341 62.100 0.051 0.000 1.092 262 T CB -0.058 68.842 68.868 0.054 0.000 0.908 262 T HN 0.048 nan 8.240 nan 0.000 0.526 263 L N -0.143 121.145 121.223 0.108 0.000 2.375 263 L HA 0.211 4.551 4.340 -0.000 0.000 0.215 263 L C 1.703 178.583 176.870 0.016 0.000 1.108 263 L CA 0.823 55.729 54.840 0.110 0.000 0.830 263 L CB -0.593 41.614 42.059 0.247 0.000 0.959 263 L HN 0.429 nan 8.230 nan 0.000 0.457 264 C N -0.419 118.870 119.300 -0.018 0.000 2.673 264 C HA 0.052 4.512 4.460 -0.000 0.000 0.264 264 C C 2.053 177.026 174.990 -0.030 0.000 1.304 264 C CA -0.424 58.507 59.018 -0.145 0.000 1.727 264 C CB -0.265 27.419 27.740 -0.093 0.000 1.932 264 C HN 0.476 nan 8.230 nan 0.000 0.563 265 D N 1.342 121.746 120.400 0.006 0.000 2.077 265 D HA -0.075 4.565 4.640 -0.000 0.000 0.196 265 D C 1.983 178.295 176.300 0.020 0.000 0.986 265 D CA 1.107 55.115 54.000 0.013 0.000 0.829 265 D CB -0.311 40.487 40.800 -0.003 0.000 0.983 265 D HN 0.118 nan 8.370 nan 0.000 0.453 266 L N 0.173 121.402 121.223 0.010 0.000 2.129 266 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 266 L C 2.180 179.061 176.870 0.017 0.000 1.087 266 L CA 1.313 56.153 54.840 -0.001 0.000 0.757 266 L CB -1.189 40.864 42.059 -0.011 0.000 0.896 266 L HN 0.239 nan 8.230 nan 0.000 0.434 267 Y N 0.601 120.823 120.300 -0.130 0.000 2.145 267 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 267 Y C 2.533 178.404 175.900 -0.048 0.000 1.145 267 Y CA 1.380 59.385 58.100 -0.157 0.000 1.148 267 Y CB 0.269 38.463 38.460 -0.444 0.000 0.981 267 Y HN 0.302 nan 8.280 nan 0.000 0.507 268 E N -1.231 119.104 120.200 0.226 0.000 2.070 268 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 268 E C 2.015 178.680 176.600 0.109 0.000 1.004 268 E CA 1.839 58.338 56.400 0.166 0.000 0.805 268 E CB -0.795 28.969 29.700 0.107 0.000 0.744 268 E HN 0.315 nan 8.360 nan 0.000 0.451 269 T N 0.791 115.384 114.554 0.064 0.000 3.081 269 T HA 0.066 4.416 4.350 -0.000 0.000 0.255 269 T C 1.784 176.485 174.700 0.002 0.000 1.113 269 T CA 0.300 62.412 62.100 0.020 0.000 1.082 269 T CB 0.057 68.921 68.868 -0.005 0.000 0.939 269 T HN 0.186 nan 8.240 nan 0.000 0.506 270 L N -0.615 120.608 121.223 0.000 0.000 2.187 270 L HA 0.452 4.792 4.340 -0.000 0.000 0.197 270 L C 1.529 178.391 176.870 -0.013 0.000 1.090 270 L CA 1.169 55.987 54.840 -0.038 0.000 0.781 270 L CB -1.156 40.839 42.059 -0.105 0.000 0.956 270 L HN 0.030 nan 8.230 nan 0.000 0.463 271 T N 0.907 115.478 114.554 0.028 0.000 4.881 271 T HA -0.146 4.204 4.350 -0.000 0.000 0.318 271 T C 0.444 175.166 174.700 0.037 0.000 1.054 271 T CA 0.947 63.109 62.100 0.104 0.000 2.138 271 T CB -1.292 67.645 68.868 0.114 0.000 2.039 271 T HN 0.367 nan 8.240 nan 0.000 0.926 272 I N 1.469 122.020 120.570 -0.031 0.000 2.938 272 I HA 0.120 4.290 4.170 -0.000 0.000 0.285 272 I C 1.899 177.994 176.117 -0.037 0.000 1.182 272 I CA 0.465 61.740 61.300 -0.042 0.000 1.388 272 I CB 0.331 38.290 38.000 -0.068 0.000 1.390 272 I HN 0.242 nan 8.210 nan 0.000 0.600 273 T N 1.364 115.894 114.554 -0.040 0.000 3.312 273 T HA 0.293 4.643 4.350 -0.000 0.000 0.251 273 T C 0.110 174.739 174.700 -0.118 0.000 1.012 273 T CA -0.460 61.613 62.100 -0.044 0.000 0.925 273 T CB -0.565 68.283 68.868 -0.033 0.000 1.049 273 T HN 0.650 nan 8.240 nan 0.000 0.583 274 Q N -0.102 119.622 119.800 -0.127 0.000 2.352 274 Q HA 0.760 5.100 4.340 -0.000 0.000 0.270 274 Q C -1.421 174.560 176.000 -0.032 0.000 1.006 274 Q CA -1.087 54.617 55.803 -0.163 0.000 0.880 274 Q CB 1.368 29.853 28.738 -0.423 0.000 1.392 274 Q HN 0.283 nan 8.270 nan 0.000 0.401 275 A N 1.077 123.974 122.820 0.129 0.000 2.583 275 A HA 0.672 4.992 4.320 -0.000 0.000 0.298 275 A C -1.604 176.054 177.584 0.124 0.000 1.055 275 A CA -0.678 51.413 52.037 0.091 0.000 0.714 275 A CB 1.458 20.432 19.000 -0.043 0.000 1.277 275 A HN 0.657 nan 8.150 nan 0.000 0.406 276 V N 2.528 122.476 119.914 0.056 0.000 2.417 276 V HA 0.527 4.647 4.120 -0.000 0.000 0.291 276 V C -0.446 175.557 176.094 -0.153 0.000 1.024 276 V CA -0.234 61.998 62.300 -0.113 0.000 0.861 276 V CB 1.475 33.182 31.823 -0.193 0.000 0.985 276 V HN 0.680 nan 8.190 nan 0.000 0.436 277 I N 5.080 125.507 120.570 -0.238 0.000 2.355 277 I HA 0.407 4.577 4.170 -0.000 0.000 0.288 277 I C -0.842 175.148 176.117 -0.211 0.000 0.999 277 I CA -0.098 61.130 61.300 -0.119 0.000 1.163 277 I CB 1.175 39.140 38.000 -0.059 0.000 1.316 277 I HN 0.433 nan 8.210 nan 0.000 0.454 278 F N 7.844 127.823 119.950 0.050 0.000 2.350 278 F HA 0.409 4.936 4.527 -0.000 0.000 0.365 278 F C 0.348 176.203 175.800 0.093 0.000 1.122 278 F CA -0.731 57.299 58.000 0.050 0.000 1.139 278 F CB 0.714 39.740 39.000 0.044 0.000 1.220 278 F HN 0.299 nan 8.300 nan 0.000 0.499 279 I N -0.363 120.324 120.570 0.194 0.000 2.863 279 I HA 0.473 4.643 4.170 -0.000 0.000 0.311 279 I C 0.271 176.483 176.117 0.158 0.000 1.026 279 I CA -0.398 61.008 61.300 0.176 0.000 1.077 279 I CB 1.512 39.543 38.000 0.052 0.000 1.262 279 I HN 0.461 nan 8.210 nan 0.000 0.461 280 N N 0.007 118.789 118.700 0.137 0.000 2.373 280 N HA 0.061 4.801 4.740 -0.000 0.000 0.181 280 N C -0.522 175.033 175.510 0.075 0.000 1.082 280 N CA 0.694 53.807 53.050 0.105 0.000 0.885 280 N CB 0.271 38.811 38.487 0.088 0.000 0.977 280 N HN 0.892 nan 8.380 nan 0.000 0.462 281 T N -3.045 111.549 114.554 0.065 0.000 2.912 281 T HA 0.367 4.717 4.350 -0.000 0.000 0.299 281 T C 0.579 175.311 174.700 0.053 0.000 1.052 281 T CA -0.816 61.313 62.100 0.049 0.000 0.996 281 T CB 2.523 71.409 68.868 0.030 0.000 1.070 281 T HN -0.150 nan 8.240 nan 0.000 0.465 282 R N 0.682 121.214 120.500 0.054 0.000 2.134 282 R HA -0.223 4.117 4.340 -0.000 0.000 0.248 282 R C 2.658 178.990 176.300 0.053 0.000 1.143 282 R CA 2.477 58.615 56.100 0.062 0.000 0.957 282 R CB -0.346 29.992 30.300 0.063 0.000 0.867 282 R HN 0.800 nan 8.270 nan 0.000 0.441 283 R N 0.690 121.218 120.500 0.046 0.000 2.119 283 R HA -0.069 4.271 4.340 -0.000 0.000 0.222 283 R C 1.828 178.187 176.300 0.097 0.000 1.088 283 R CA 1.520 57.654 56.100 0.056 0.000 0.984 283 R CB -0.119 30.203 30.300 0.037 0.000 0.884 283 R HN 0.051 nan 8.270 nan 0.000 0.447 284 K N 0.515 120.958 120.400 0.072 0.000 2.148 284 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 284 K C 1.911 178.597 176.600 0.144 0.000 1.050 284 K CA 1.025 57.373 56.287 0.102 0.000 0.942 284 K CB 0.125 32.651 32.500 0.044 0.000 0.724 284 K HN 0.025 nan 8.250 nan 0.000 0.446 285 V N 1.636 121.598 119.914 0.080 0.000 2.358 285 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 285 V C 1.314 177.431 176.094 0.039 0.000 1.047 285 V CA 2.039 64.364 62.300 0.041 0.000 1.035 285 V CB -0.310 31.535 31.823 0.038 0.000 0.658 285 V HN 0.356 nan 8.190 nan 0.000 0.452 286 D N -1.546 118.880 120.400 0.044 0.000 2.123 286 D HA -0.187 4.453 4.640 -0.000 0.000 0.200 286 D C 1.596 177.927 176.300 0.053 0.000 0.976 286 D CA 1.125 55.124 54.000 -0.002 0.000 0.831 286 D CB -0.380 40.401 40.800 -0.032 0.000 0.974 286 D HN 0.598 nan 8.370 nan 0.000 0.469 287 W N 1.442 122.713 121.300 -0.049 0.000 2.301 287 W HA -0.236 4.424 4.660 -0.000 0.000 0.325 287 W C 2.083 178.587 176.519 -0.025 0.000 1.250 287 W CA 1.563 58.892 57.345 -0.027 0.000 1.261 287 W CB -0.584 28.870 29.460 -0.009 0.000 1.157 287 W HN 0.050 nan 8.180 nan 0.000 0.473 288 L N 0.195 121.510 121.223 0.154 0.000 2.217 288 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 288 L C 2.221 179.011 176.870 -0.134 0.000 1.107 288 L CA 2.508 57.309 54.840 -0.065 0.000 0.783 288 L CB -1.111 40.966 42.059 0.031 0.000 0.919 288 L HN -0.086 nan 8.230 nan 0.000 0.442 289 T N -0.538 113.973 114.554 -0.073 0.000 2.708 289 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 289 T C 1.706 176.379 174.700 -0.045 0.000 1.037 289 T CA 1.753 63.834 62.100 -0.033 0.000 1.146 289 T CB -0.118 68.719 68.868 -0.052 0.000 0.865 289 T HN 0.457 nan 8.240 nan 0.000 0.435 290 E N 0.584 120.692 120.200 -0.153 0.000 2.038 290 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 290 E C 2.089 178.590 176.600 -0.165 0.000 1.000 290 E CA 0.935 57.229 56.400 -0.176 0.000 0.803 290 E CB 0.064 29.630 29.700 -0.223 0.000 0.750 290 E HN 0.059 nan 8.360 nan 0.000 0.448 291 K N -0.179 120.010 120.400 -0.352 0.000 2.442 291 K HA -0.149 4.171 4.320 -0.000 0.000 0.200 291 K C 1.683 178.229 176.600 -0.089 0.000 1.045 291 K CA 0.884 56.967 56.287 -0.340 0.000 0.937 291 K CB -0.042 32.047 32.500 -0.685 0.000 0.757 291 K HN 0.256 nan 8.250 nan 0.000 0.474 292 M N -1.203 118.408 119.600 0.018 0.000 2.398 292 M HA 0.010 4.490 4.480 -0.000 0.000 0.261 292 M C 1.985 178.376 176.300 0.152 0.000 1.125 292 M CA 1.190 56.583 55.300 0.155 0.000 1.183 292 M CB -1.145 31.561 32.600 0.177 0.000 1.322 292 M HN 0.186 nan 8.290 nan 0.000 0.467 293 H N 0.432 119.508 119.070 0.011 0.000 2.289 293 H HA -0.135 4.421 4.556 -0.000 0.000 0.296 293 H C 1.955 177.252 175.328 -0.052 0.000 1.091 293 H CA 1.814 57.849 56.048 -0.022 0.000 1.274 293 H CB -0.175 29.565 29.762 -0.037 0.000 1.364 293 H HN 0.383 nan 8.280 nan 0.000 0.490 294 A N 1.321 124.182 122.820 0.068 0.000 1.969 294 A HA -0.272 4.048 4.320 -0.000 0.000 0.223 294 A C 2.180 179.746 177.584 -0.030 0.000 1.218 294 A CA 2.188 54.222 52.037 -0.005 0.000 0.667 294 A CB -0.551 18.424 19.000 -0.041 0.000 0.826 294 A HN 0.400 nan 8.150 nan 0.000 0.472 295 R N -1.343 119.151 120.500 -0.010 0.000 2.515 295 R HA 0.137 4.477 4.340 -0.000 0.000 0.294 295 R C -0.526 175.552 176.300 -0.370 0.000 1.021 295 R CA 0.301 56.367 56.100 -0.057 0.000 1.081 295 R CB 0.247 30.661 30.300 0.190 0.000 1.263 295 R HN 0.405 nan 8.270 nan 0.000 0.557 296 D N -0.142 120.066 120.400 -0.320 0.000 2.945 296 D HA -0.195 4.445 4.640 -0.000 0.000 0.225 296 D C -1.105 174.784 176.300 -0.685 0.000 1.158 296 D CA 1.279 55.004 54.000 -0.458 0.000 0.805 296 D CB -1.135 39.401 40.800 -0.440 0.000 1.098 296 D HN 0.144 nan 8.370 nan 0.000 0.426 297 F N 0.376 120.151 119.950 -0.292 0.000 2.427 297 F HA 0.327 4.854 4.527 -0.000 0.000 0.346 297 F C 1.288 176.899 175.800 -0.316 0.000 1.120 297 F CA -0.628 57.160 58.000 -0.354 0.000 1.033 297 F CB 1.301 40.044 39.000 -0.428 0.000 1.126 297 F HN -0.369 nan 8.300 nan 0.000 0.462 298 T N 2.892 117.404 114.554 -0.070 0.000 2.919 298 T HA 0.478 4.828 4.350 -0.000 0.000 0.302 298 T C -0.442 174.314 174.700 0.094 0.000 1.031 298 T CA -0.338 61.703 62.100 -0.098 0.000 1.127 298 T CB 1.393 70.255 68.868 -0.009 0.000 0.952 298 T HN 0.486 nan 8.240 nan 0.000 0.540 299 V N 1.268 121.248 119.914 0.109 0.000 3.147 299 V HA 0.600 4.720 4.120 -0.000 0.000 0.299 299 V C -1.068 175.132 176.094 0.177 0.000 1.302 299 V CA -0.700 61.707 62.300 0.179 0.000 1.015 299 V CB 2.815 34.753 31.823 0.192 0.000 1.086 299 V HN 0.899 nan 8.190 nan 0.000 0.437 300 S N 2.469 118.226 115.700 0.094 0.000 2.482 300 S HA 0.884 5.354 4.470 -0.000 0.000 0.303 300 S C -0.474 174.120 174.600 -0.010 0.000 1.091 300 S CA 0.128 58.352 58.200 0.041 0.000 1.057 300 S CB 1.498 64.697 63.200 -0.001 0.000 1.031 300 S HN 1.376 nan 8.310 nan 0.000 0.485 301 A N 4.952 127.781 122.820 0.015 0.000 2.310 301 A HA 0.669 4.989 4.320 -0.000 0.000 0.304 301 A C -0.569 177.078 177.584 0.106 0.000 1.231 301 A CA -0.561 51.500 52.037 0.040 0.000 0.799 301 A CB 0.514 19.538 19.000 0.041 0.000 1.162 301 A HN 0.710 nan 8.150 nan 0.000 0.486 302 M N 3.964 123.573 119.600 0.016 0.000 2.055 302 M HA 0.242 4.722 4.480 -0.000 0.000 0.346 302 M C 0.427 176.728 176.300 0.002 0.000 1.074 302 M CA -0.045 55.227 55.300 -0.046 0.000 1.009 302 M CB 0.084 32.602 32.600 -0.137 0.000 1.423 302 M HN 1.016 nan 8.290 nan 0.000 0.410 303 H N 0.561 119.603 119.070 -0.046 0.000 2.342 303 H HA 0.646 5.202 4.556 -0.000 0.000 0.334 303 H C 1.371 176.689 175.328 -0.016 0.000 1.207 303 H CA 0.536 56.568 56.048 -0.027 0.000 1.810 303 H CB 0.254 30.005 29.762 -0.019 0.000 1.530 303 H HN 0.671 nan 8.280 nan 0.000 0.618 304 G N -1.067 107.679 108.800 -0.090 0.000 4.258 304 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.208 304 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.208 304 G C 0.240 175.125 174.900 -0.024 0.000 0.777 304 G CA 0.255 45.327 45.100 -0.048 0.000 0.836 304 G HN 0.384 nan 8.290 nan 0.000 0.499 305 D N 0.508 120.939 120.400 0.052 0.000 2.369 305 D HA 0.159 4.799 4.640 -0.000 0.000 0.211 305 D C 0.818 177.126 176.300 0.014 0.000 1.077 305 D CA -0.132 53.903 54.000 0.058 0.000 0.842 305 D CB 0.634 41.498 40.800 0.107 0.000 0.947 305 D HN 0.270 nan 8.370 nan 0.000 0.509 306 M N 2.854 122.358 119.600 -0.161 0.000 2.350 306 M HA 0.054 4.534 4.480 -0.000 0.000 0.338 306 M C -0.652 175.556 176.300 -0.153 0.000 1.559 306 M CA -0.561 54.606 55.300 -0.222 0.000 1.217 306 M CB -0.117 32.141 32.600 -0.572 0.000 1.808 306 M HN -0.182 nan 8.290 nan 0.000 0.458 307 D N 2.873 123.229 120.400 -0.073 0.000 2.369 307 D HA 0.047 4.687 4.640 -0.000 0.000 0.241 307 D C 0.746 177.011 176.300 -0.057 0.000 1.271 307 D CA -0.118 53.850 54.000 -0.053 0.000 0.942 307 D CB 0.315 41.099 40.800 -0.027 0.000 1.129 307 D HN 0.639 nan 8.370 nan 0.000 0.476 308 Q N -0.227 119.549 119.800 -0.041 0.000 2.364 308 Q HA -0.139 4.201 4.340 -0.000 0.000 0.209 308 Q C 1.488 177.472 176.000 -0.027 0.000 0.977 308 Q CA 1.274 57.056 55.803 -0.035 0.000 0.885 308 Q CB -0.397 28.326 28.738 -0.025 0.000 0.941 308 Q HN 0.497 nan 8.270 nan 0.000 0.464 309 K N 1.011 121.397 120.400 -0.023 0.000 1.971 309 K HA -0.206 4.114 4.320 -0.000 0.000 0.221 309 K C 1.174 177.765 176.600 -0.015 0.000 1.050 309 K CA 1.929 58.207 56.287 -0.015 0.000 0.967 309 K CB 0.021 32.515 32.500 -0.011 0.000 0.733 309 K HN 0.244 nan 8.250 nan 0.000 0.445 310 E N -0.283 119.906 120.200 -0.019 0.000 2.479 310 E HA 0.044 4.393 4.350 -0.000 0.000 0.193 310 E C 1.595 178.176 176.600 -0.032 0.000 1.049 310 E CA 0.010 56.401 56.400 -0.015 0.000 0.870 310 E CB 0.326 30.023 29.700 -0.005 0.000 0.944 310 E HN 0.197 nan 8.360 nan 0.000 0.492 311 R N 0.815 121.284 120.500 -0.051 0.000 2.070 311 R HA -0.122 4.217 4.340 -0.000 0.000 0.233 311 R C 0.941 177.211 176.300 -0.049 0.000 1.137 311 R CA 1.554 57.610 56.100 -0.073 0.000 0.945 311 R CB -0.025 30.225 30.300 -0.083 0.000 0.845 311 R HN 0.169 nan 8.270 nan 0.000 0.430 312 D N 0.116 120.500 120.400 -0.028 0.000 2.371 312 D HA -0.086 4.554 4.640 -0.000 0.000 0.221 312 D C 1.614 177.916 176.300 0.003 0.000 0.986 312 D CA 0.310 54.304 54.000 -0.011 0.000 0.899 312 D CB 0.002 40.801 40.800 -0.002 0.000 0.902 312 D HN 0.019 nan 8.370 nan 0.000 0.530 313 V N 0.727 120.641 119.914 0.000 0.000 2.546 313 V HA -0.258 3.862 4.120 -0.000 0.000 0.254 313 V C 1.920 178.030 176.094 0.026 0.000 1.076 313 V CA 1.459 63.767 62.300 0.013 0.000 1.087 313 V CB -0.137 31.692 31.823 0.010 0.000 0.674 313 V HN 0.156 nan 8.190 nan 0.000 0.470 314 I N -1.866 118.714 120.570 0.016 0.000 2.512 314 I HA -0.116 4.054 4.170 -0.000 0.000 0.247 314 I C 2.372 178.542 176.117 0.088 0.000 1.094 314 I CA 1.231 62.552 61.300 0.034 0.000 1.427 314 I CB -0.498 37.483 38.000 -0.031 0.000 1.149 314 I HN 0.220 nan 8.210 nan 0.000 0.438 315 M N 1.628 121.263 119.600 0.058 0.000 2.308 315 M HA -0.356 4.124 4.480 -0.000 0.000 0.257 315 M C 2.618 179.005 176.300 0.146 0.000 1.070 315 M CA 2.560 57.930 55.300 0.116 0.000 1.080 315 M CB -0.293 32.343 32.600 0.060 0.000 1.274 315 M HN 0.210 nan 8.290 nan 0.000 0.434 316 R N 0.750 121.302 120.500 0.087 0.000 2.117 316 R HA -0.219 4.121 4.340 -0.000 0.000 0.243 316 R C 1.742 178.086 176.300 0.073 0.000 1.143 316 R CA 2.188 58.329 56.100 0.068 0.000 0.968 316 R CB -1.333 28.996 30.300 0.048 0.000 0.863 316 R HN 0.743 nan 8.270 nan 0.000 0.444 317 E N -0.510 119.746 120.200 0.094 0.000 2.385 317 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 317 E C 1.479 178.159 176.600 0.133 0.000 1.013 317 E CA 0.161 56.616 56.400 0.091 0.000 0.866 317 E CB -0.262 29.489 29.700 0.084 0.000 0.832 317 E HN 0.361 nan 8.360 nan 0.000 0.500 318 F N 3.152 123.103 119.950 0.001 0.000 2.293 318 F HA 0.084 4.611 4.527 -0.000 0.000 0.297 318 F C 2.343 178.141 175.800 -0.004 0.000 1.089 318 F CA 1.266 59.264 58.000 -0.003 0.000 1.377 318 F CB -0.003 38.991 39.000 -0.010 0.000 1.051 318 F HN -0.038 nan 8.300 nan 0.000 0.511 319 R N 0.079 120.571 120.500 -0.013 0.000 2.148 319 R HA -0.092 4.247 4.340 -0.000 0.000 0.227 319 R C 1.972 178.206 176.300 -0.109 0.000 1.103 319 R CA 1.583 57.626 56.100 -0.094 0.000 0.983 319 R CB -1.140 29.154 30.300 -0.010 0.000 0.874 319 R HN 0.360 nan 8.270 nan 0.000 0.451 320 S N -0.522 115.140 115.700 -0.063 0.000 2.522 320 S HA 0.114 4.584 4.470 -0.000 0.000 0.227 320 S C 1.503 176.059 174.600 -0.074 0.000 0.986 320 S CA 0.441 58.612 58.200 -0.048 0.000 0.929 320 S CB 0.027 63.221 63.200 -0.010 0.000 0.769 320 S HN 0.696 nan 8.310 nan 0.000 0.529 321 G N 0.656 109.376 108.800 -0.133 0.000 2.143 321 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.249 321 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.249 321 G C 0.882 175.751 174.900 -0.052 0.000 0.981 321 G CA 0.848 45.866 45.100 -0.136 0.000 0.665 321 G HN 0.740 nan 8.290 nan 0.000 0.528 322 S N 0.235 115.929 115.700 -0.010 0.000 2.329 322 S HA 0.111 4.581 4.470 -0.000 0.000 0.215 322 S C 1.790 176.438 174.600 0.080 0.000 1.031 322 S CA 1.574 59.796 58.200 0.037 0.000 0.985 322 S CB -0.389 62.839 63.200 0.046 0.000 0.917 322 S HN 1.533 nan 8.310 nan 0.000 0.441 323 S N 2.430 118.216 115.700 0.142 0.000 2.429 323 S HA 0.310 4.780 4.470 -0.000 0.000 0.292 323 S C 0.807 175.556 174.600 0.247 0.000 1.183 323 S CA -0.625 57.699 58.200 0.207 0.000 1.088 323 S CB 0.595 63.953 63.200 0.262 0.000 1.018 323 S HN 0.489 nan 8.310 nan 0.000 0.511 324 R N 2.143 122.751 120.500 0.179 0.000 2.080 324 R HA -0.022 4.318 4.340 -0.000 0.000 0.236 324 R C 0.117 176.518 176.300 0.169 0.000 1.137 324 R CA 1.083 57.273 56.100 0.149 0.000 0.943 324 R CB -0.311 30.110 30.300 0.203 0.000 0.846 324 R HN 0.520 nan 8.270 nan 0.000 0.431 325 V N 1.009 121.032 119.914 0.182 0.000 2.876 325 V HA 0.318 4.437 4.120 -0.000 0.000 0.312 325 V C -0.931 175.195 176.094 0.053 0.000 1.085 325 V CA -0.869 61.501 62.300 0.116 0.000 0.945 325 V CB 2.673 34.469 31.823 -0.044 0.000 1.017 325 V HN 0.129 nan 8.190 nan 0.000 0.428 326 L N 5.267 126.437 121.223 -0.088 0.000 2.343 326 L HA 0.628 4.968 4.340 -0.000 0.000 0.278 326 L C -1.006 175.704 176.870 -0.268 0.000 0.996 326 L CA -0.274 54.378 54.840 -0.314 0.000 0.831 326 L CB 1.399 42.949 42.059 -0.849 0.000 1.232 326 L HN 0.619 nan 8.230 nan 0.000 0.413 327 I N 4.230 124.683 120.570 -0.196 0.000 2.336 327 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 327 I C 0.138 176.140 176.117 -0.192 0.000 0.991 327 I CA 0.009 61.201 61.300 -0.180 0.000 1.227 327 I CB 1.947 39.886 38.000 -0.102 0.000 1.366 327 I HN 0.551 nan 8.210 nan 0.000 0.466 328 T N 3.451 117.852 114.554 -0.255 0.000 2.853 328 T HA 0.409 4.759 4.350 -0.000 0.000 0.311 328 T C -0.494 174.146 174.700 -0.100 0.000 1.307 328 T CA -0.522 61.452 62.100 -0.209 0.000 1.019 328 T CB 1.511 70.195 68.868 -0.306 0.000 1.264 328 T HN 0.686 nan 8.240 nan 0.000 0.497 329 T N 0.255 114.822 114.554 0.022 0.000 2.913 329 T HA 0.338 4.688 4.350 -0.000 0.000 0.287 329 T C 0.940 175.787 174.700 0.243 0.000 1.008 329 T CA -0.390 61.796 62.100 0.144 0.000 1.067 329 T CB 0.905 69.832 68.868 0.098 0.000 0.996 329 T HN 0.642 nan 8.240 nan 0.000 0.513 330 D N 0.955 121.566 120.400 0.350 0.000 2.378 330 D HA -0.045 4.595 4.640 -0.000 0.000 0.227 330 D C 1.509 177.887 176.300 0.130 0.000 1.012 330 D CA 0.072 54.253 54.000 0.302 0.000 0.905 330 D CB -0.360 40.469 40.800 0.050 0.000 0.895 330 D HN 0.506 nan 8.370 nan 0.000 0.532 331 L N 0.539 121.818 121.223 0.093 0.000 1.899 331 L HA -0.075 4.265 4.340 -0.000 0.000 0.220 331 L C 2.082 178.975 176.870 0.038 0.000 1.091 331 L CA 1.366 56.232 54.840 0.044 0.000 0.781 331 L CB -0.439 41.641 42.059 0.035 0.000 0.886 331 L HN 0.160 nan 8.230 nan 0.000 0.430 332 L N -0.708 120.530 121.223 0.025 0.000 2.834 332 L HA 0.084 4.424 4.340 -0.000 0.000 0.252 332 L C 1.647 178.525 176.870 0.013 0.000 1.152 332 L CA 0.657 55.498 54.840 0.000 0.000 0.898 332 L CB -0.939 41.099 42.059 -0.035 0.000 1.078 332 L HN 0.309 nan 8.230 nan 0.000 0.439 333 A N 0.060 122.917 122.820 0.063 0.000 2.264 333 A HA -0.093 4.227 4.320 -0.000 0.000 0.207 333 A C 2.289 179.908 177.584 0.059 0.000 1.196 333 A CA 0.337 52.430 52.037 0.094 0.000 0.778 333 A CB -0.564 18.552 19.000 0.194 0.000 0.779 333 A HN 0.581 nan 8.150 nan 0.000 0.483 334 R N 0.643 121.160 120.500 0.029 0.000 2.162 334 R HA -0.205 4.135 4.340 -0.000 0.000 0.245 334 R C 1.001 177.313 176.300 0.020 0.000 1.129 334 R CA 1.971 58.080 56.100 0.016 0.000 0.940 334 R CB -0.887 29.413 30.300 0.000 0.000 0.875 334 R HN 0.461 nan 8.270 nan 0.000 0.437 335 G N 0.866 109.673 108.800 0.011 0.000 2.866 335 G HA2 0.553 4.513 3.960 -0.000 0.000 0.318 335 G HA3 0.553 4.513 3.960 -0.000 0.000 0.318 335 G C -0.523 174.384 174.900 0.012 0.000 1.336 335 G CA -0.540 44.568 45.100 0.013 0.000 1.067 335 G HN 0.372 nan 8.290 nan 0.000 0.515 336 I N -1.622 118.968 120.570 0.033 0.000 2.969 336 I HA 0.641 4.811 4.170 -0.000 0.000 0.307 336 I C -1.436 174.715 176.117 0.058 0.000 1.149 336 I CA -1.231 60.090 61.300 0.035 0.000 1.008 336 I CB 2.938 40.968 38.000 0.049 0.000 1.232 336 I HN 0.011 nan 8.210 nan 0.000 0.435 337 D N 4.225 124.668 120.400 0.071 0.000 2.460 337 D HA 0.218 4.858 4.640 -0.000 0.000 0.268 337 D C 0.262 176.630 176.300 0.114 0.000 1.153 337 D CA -0.103 53.950 54.000 0.088 0.000 0.929 337 D CB 1.872 42.728 40.800 0.094 0.000 1.015 337 D HN 0.528 nan 8.370 nan 0.000 0.502 338 V N 0.798 120.774 119.914 0.103 0.000 2.346 338 V HA 0.075 4.195 4.120 -0.000 0.000 0.320 338 V C 0.738 176.875 176.094 0.072 0.000 1.663 338 V CA 0.012 62.377 62.300 0.109 0.000 1.667 338 V CB -0.341 31.558 31.823 0.126 0.000 1.465 338 V HN 0.156 nan 8.190 nan 0.000 0.524 339 Q N 0.243 120.082 119.800 0.065 0.000 2.652 339 Q HA 0.194 4.534 4.340 -0.000 0.000 0.211 339 Q C 1.707 177.724 176.000 0.028 0.000 0.858 339 Q CA 0.265 56.091 55.803 0.038 0.000 0.895 339 Q CB -0.320 28.435 28.738 0.029 0.000 1.194 339 Q HN 0.502 nan 8.270 nan 0.000 0.645 340 Q N 0.833 120.648 119.800 0.025 0.000 2.344 340 Q HA 0.169 4.509 4.340 -0.000 0.000 0.212 340 Q C -0.750 175.237 176.000 -0.022 0.000 0.943 340 Q CA 0.014 55.810 55.803 -0.012 0.000 0.955 340 Q CB 0.427 29.142 28.738 -0.039 0.000 1.000 340 Q HN 0.076 nan 8.270 nan 0.000 0.488 341 V N 0.893 120.826 119.914 0.031 0.000 2.293 341 V HA 0.077 4.197 4.120 -0.000 0.000 0.275 341 V C 0.570 176.687 176.094 0.038 0.000 1.021 341 V CA -0.039 62.295 62.300 0.056 0.000 0.815 341 V CB 1.534 33.447 31.823 0.149 0.000 1.025 341 V HN 0.173 nan 8.190 nan 0.000 0.448 342 S N 4.486 120.191 115.700 0.009 0.000 2.603 342 S HA 0.212 4.682 4.470 -0.000 0.000 0.220 342 S C 0.075 174.688 174.600 0.023 0.000 0.967 342 S CA 0.223 58.428 58.200 0.009 0.000 0.920 342 S CB -0.106 63.088 63.200 -0.011 0.000 0.773 342 S HN 0.503 nan 8.310 nan 0.000 0.529 343 L N 0.688 121.933 121.223 0.036 0.000 2.493 343 L HA 0.616 4.956 4.340 -0.000 0.000 0.265 343 L C -1.621 175.292 176.870 0.073 0.000 0.954 343 L CA -0.422 54.444 54.840 0.043 0.000 0.844 343 L CB 2.010 44.075 42.059 0.011 0.000 1.302 343 L HN -0.158 nan 8.230 nan 0.000 0.405 344 V N 6.317 126.287 119.914 0.093 0.000 2.482 344 V HA 0.525 4.645 4.120 -0.000 0.000 0.295 344 V C -0.523 175.664 176.094 0.155 0.000 1.026 344 V CA -0.267 62.119 62.300 0.143 0.000 0.856 344 V CB 1.913 33.841 31.823 0.175 0.000 1.001 344 V HN 0.624 nan 8.190 nan 0.000 0.424 345 I N 5.097 125.769 120.570 0.170 0.000 2.328 345 I HA 0.406 4.576 4.170 -0.000 0.000 0.287 345 I C 0.214 176.493 176.117 0.271 0.000 1.012 345 I CA -0.346 61.067 61.300 0.188 0.000 1.195 345 I CB 1.151 39.244 38.000 0.155 0.000 1.350 345 I HN 0.429 nan 8.210 nan 0.000 0.464 346 N N 5.806 124.653 118.700 0.246 0.000 2.549 346 N HA -0.009 4.731 4.740 -0.000 0.000 0.267 346 N C 0.646 176.308 175.510 0.253 0.000 1.182 346 N CA 0.080 53.282 53.050 0.253 0.000 1.019 346 N CB 0.148 38.747 38.487 0.186 0.000 1.380 346 N HN 0.585 nan 8.380 nan 0.000 0.505 347 Y N 1.005 121.398 120.300 0.155 0.000 2.242 347 Y HA -0.105 4.445 4.550 -0.000 0.000 0.291 347 Y C -0.042 175.926 175.900 0.114 0.000 1.137 347 Y CA 1.056 59.233 58.100 0.130 0.000 1.181 347 Y CB 0.523 39.060 38.460 0.128 0.000 0.989 347 Y HN 0.267 nan 8.280 nan 0.000 0.527 348 D N 0.390 120.975 120.400 0.309 0.000 2.362 348 D HA 0.240 4.880 4.640 -0.000 0.000 0.247 348 D C -1.053 175.333 176.300 0.144 0.000 1.050 348 D CA -0.509 53.599 54.000 0.179 0.000 0.839 348 D CB 2.127 43.035 40.800 0.179 0.000 1.283 348 D HN -0.081 nan 8.370 nan 0.000 0.477 349 L N 2.944 124.225 121.223 0.095 0.000 2.456 349 L HA 0.205 4.545 4.340 -0.000 0.000 0.272 349 L C -2.000 174.918 176.870 0.081 0.000 1.189 349 L CA -1.097 53.797 54.840 0.090 0.000 0.846 349 L CB -0.519 41.567 42.059 0.046 0.000 1.111 349 L HN 0.113 nan 8.230 nan 0.000 0.475 350 P HA 0.117 nan 4.420 nan 0.000 0.271 350 P C 0.477 177.806 177.300 0.047 0.000 1.216 350 P CA -0.189 62.949 63.100 0.062 0.000 0.771 350 P CB 0.383 32.128 31.700 0.076 0.000 0.864 351 T N -1.435 113.136 114.554 0.028 0.000 3.148 351 T HA 0.058 4.407 4.350 -0.000 0.000 0.253 351 T C 0.215 174.919 174.700 0.006 0.000 1.134 351 T CA 0.162 62.270 62.100 0.013 0.000 1.051 351 T CB -0.771 68.102 68.868 0.008 0.000 0.959 351 T HN 0.303 nan 8.240 nan 0.000 0.525 352 N N 0.964 119.673 118.700 0.015 0.000 2.491 352 N HA 0.536 5.276 4.740 -0.000 0.000 0.274 352 N C 0.285 175.820 175.510 0.042 0.000 1.023 352 N CA -0.940 52.114 53.050 0.006 0.000 0.902 352 N CB 1.651 40.133 38.487 -0.008 0.000 1.267 352 N HN -0.062 nan 8.380 nan 0.000 0.503 353 R N 1.453 121.975 120.500 0.038 0.000 2.196 353 R HA -0.280 4.060 4.340 -0.000 0.000 0.244 353 R C 0.955 177.369 176.300 0.190 0.000 1.121 353 R CA 1.812 57.988 56.100 0.127 0.000 0.930 353 R CB -0.479 29.854 30.300 0.055 0.000 0.890 353 R HN 0.583 nan 8.270 nan 0.000 0.435 354 E N -0.003 120.249 120.200 0.087 0.000 2.273 354 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 354 E C 1.426 178.155 176.600 0.215 0.000 1.002 354 E CA 1.563 58.046 56.400 0.138 0.000 0.828 354 E CB -0.270 29.461 29.700 0.053 0.000 0.747 354 E HN 0.499 nan 8.360 nan 0.000 0.491 355 N N -0.882 117.893 118.700 0.125 0.000 2.300 355 N HA -0.106 4.634 4.740 -0.000 0.000 0.179 355 N C 1.359 176.905 175.510 0.060 0.000 1.016 355 N CA 0.394 53.491 53.050 0.079 0.000 0.876 355 N CB -0.168 38.316 38.487 -0.006 0.000 0.979 355 N HN 0.174 nan 8.380 nan 0.000 0.432 356 Y N 2.244 122.527 120.300 -0.028 0.000 2.193 356 Y HA -0.218 4.332 4.550 -0.000 0.000 0.285 356 Y C 1.900 177.736 175.900 -0.105 0.000 1.166 356 Y CA 1.431 59.468 58.100 -0.104 0.000 1.181 356 Y CB -0.184 38.192 38.460 -0.140 0.000 0.976 356 Y HN 0.143 nan 8.280 nan 0.000 0.520 357 I N -3.450 117.132 120.570 0.021 0.000 2.761 357 I HA -0.154 4.016 4.170 -0.000 0.000 0.261 357 I C 1.789 177.805 176.117 -0.168 0.000 1.198 357 I CA 1.346 62.611 61.300 -0.057 0.000 1.482 357 I CB -0.632 37.418 38.000 0.083 0.000 1.100 357 I HN 0.148 nan 8.210 nan 0.000 0.445 358 H N 1.083 120.078 119.070 -0.124 0.000 2.548 358 H HA 0.172 4.728 4.556 -0.000 0.000 0.268 358 H C 1.816 177.026 175.328 -0.196 0.000 0.975 358 H CA 0.565 56.545 56.048 -0.112 0.000 1.195 358 H CB 0.472 30.191 29.762 -0.073 0.000 1.397 358 H HN 0.407 nan 8.280 nan 0.000 0.572 359 R N 0.310 120.635 120.500 -0.292 0.000 2.062 359 R HA -0.006 4.334 4.340 -0.000 0.000 0.218 359 R C 2.479 178.608 176.300 -0.286 0.000 1.161 359 R CA 0.831 56.592 56.100 -0.565 0.000 0.994 359 R CB -0.094 29.556 30.300 -1.083 0.000 0.888 359 R HN 0.190 nan 8.270 nan 0.000 0.442 360 I N -1.474 118.876 120.570 -0.367 0.000 2.248 360 I HA 0.055 4.224 4.170 -0.000 0.000 0.248 360 I C 1.006 177.070 176.117 -0.089 0.000 1.107 360 I CA 1.497 62.656 61.300 -0.235 0.000 1.373 360 I CB -0.565 37.236 38.000 -0.331 0.000 1.055 360 I HN 0.268 nan 8.210 nan 0.000 0.418 368 R N 0.071 120.573 120.500 0.002 0.000 2.621 368 R HA 0.734 5.074 4.340 -0.000 0.000 0.284 368 R C -1.618 174.687 176.300 0.008 0.000 0.998 368 R CA -0.955 55.148 56.100 0.006 0.000 0.895 368 R CB 1.807 32.111 30.300 0.007 0.000 1.195 368 R HN 0.485 nan 8.270 nan 0.000 0.450 369 K N 1.821 122.227 120.400 0.011 0.000 2.618 369 K HA 0.377 4.697 4.320 -0.000 0.000 0.322 369 K C -1.922 174.689 176.600 0.017 0.000 1.267 369 K CA -0.163 56.132 56.287 0.013 0.000 1.083 369 K CB 1.158 33.663 32.500 0.008 0.000 1.386 369 K HN 0.780 nan 8.250 nan 0.000 0.509 370 G N 0.733 109.548 108.800 0.025 0.000 2.623 370 G HA2 0.617 4.577 3.960 -0.000 0.000 0.290 370 G HA3 0.617 4.577 3.960 -0.000 0.000 0.290 370 G C -1.651 173.277 174.900 0.047 0.000 1.437 370 G CA -0.543 44.576 45.100 0.032 0.000 0.798 370 G HN 0.300 nan 8.290 nan 0.000 0.488 371 V N -0.740 119.208 119.914 0.058 0.000 2.960 371 V HA 0.914 5.034 4.120 -0.000 0.000 0.315 371 V C 0.148 176.299 176.094 0.095 0.000 1.087 371 V CA -0.736 61.617 62.300 0.089 0.000 0.982 371 V CB 1.711 33.591 31.823 0.096 0.000 1.039 371 V HN 1.630 nan 8.190 nan 0.000 0.437 372 A N 3.631 126.529 122.820 0.130 0.000 2.357 372 A HA 0.884 5.204 4.320 -0.000 0.000 0.295 372 A C -0.922 176.775 177.584 0.189 0.000 1.121 372 A CA -0.422 51.693 52.037 0.129 0.000 0.742 372 A CB 0.682 19.736 19.000 0.089 0.000 1.181 372 A HN 0.758 nan 8.150 nan 0.000 0.454 373 I N 2.025 122.698 120.570 0.171 0.000 2.404 373 I HA 0.338 4.508 4.170 -0.000 0.000 0.293 373 I C -0.282 175.948 176.117 0.189 0.000 0.992 373 I CA -0.497 60.917 61.300 0.191 0.000 1.149 373 I CB 1.865 39.944 38.000 0.132 0.000 1.315 373 I HN 0.648 nan 8.210 nan 0.000 0.446 374 N N 7.037 125.868 118.700 0.218 0.000 2.392 374 N HA 0.574 5.314 4.740 -0.000 0.000 0.283 374 N C -1.055 174.557 175.510 0.171 0.000 1.003 374 N CA -0.795 52.373 53.050 0.198 0.000 0.892 374 N CB 1.864 40.478 38.487 0.211 0.000 1.193 374 N HN 0.417 nan 8.380 nan 0.000 0.487 375 M N 2.256 121.917 119.600 0.102 0.000 2.209 375 M HA 0.448 4.928 4.480 -0.000 0.000 0.355 375 M C -0.742 175.577 176.300 0.032 0.000 1.171 375 M CA -0.832 54.496 55.300 0.047 0.000 1.069 375 M CB 1.574 34.131 32.600 -0.072 0.000 1.622 375 M HN 0.134 nan 8.290 nan 0.000 0.459 376 V N 0.902 120.847 119.914 0.052 0.000 2.823 376 V HA 0.597 4.717 4.120 -0.000 0.000 0.312 376 V C -0.188 175.917 176.094 0.017 0.000 1.072 376 V CA -0.720 61.595 62.300 0.024 0.000 0.937 376 V CB 1.989 33.824 31.823 0.020 0.000 1.013 376 V HN 0.878 nan 8.190 nan 0.000 0.430 377 T N 0.707 115.256 114.554 -0.008 0.000 2.950 377 T HA 0.280 4.630 4.350 -0.000 0.000 0.288 377 T C 1.042 175.735 174.700 -0.013 0.000 1.035 377 T CA -0.259 61.834 62.100 -0.013 0.000 1.028 377 T CB 1.550 70.395 68.868 -0.038 0.000 1.109 377 T HN 0.982 nan 8.240 nan 0.000 0.514 378 E N 1.161 121.353 120.200 -0.014 0.000 2.463 378 E HA -0.099 4.250 4.350 -0.000 0.000 0.201 378 E C 0.404 176.992 176.600 -0.020 0.000 1.045 378 E CA 1.076 57.469 56.400 -0.011 0.000 0.872 378 E CB 0.194 29.889 29.700 -0.009 0.000 0.797 378 E HN 0.530 nan 8.360 nan 0.000 0.538 379 E N 0.315 120.499 120.200 -0.028 0.000 2.562 379 E HA 0.051 4.401 4.350 -0.000 0.000 0.214 379 E C 0.541 177.123 176.600 -0.030 0.000 0.979 379 E CA 0.007 56.389 56.400 -0.029 0.000 1.002 379 E CB 0.458 30.139 29.700 -0.032 0.000 1.048 379 E HN 0.197 nan 8.360 nan 0.000 0.488 380 D N 1.430 121.811 120.400 -0.030 0.000 2.305 380 D HA -0.047 4.593 4.640 -0.000 0.000 0.206 380 D C 1.827 178.100 176.300 -0.044 0.000 0.974 380 D CA 0.577 54.557 54.000 -0.033 0.000 0.871 380 D CB 0.373 41.156 40.800 -0.029 0.000 0.947 380 D HN 0.227 nan 8.370 nan 0.000 0.516 381 K N 0.872 121.245 120.400 -0.045 0.000 2.097 381 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 381 K C 2.050 178.612 176.600 -0.064 0.000 1.050 381 K CA 0.602 56.850 56.287 -0.064 0.000 0.938 381 K CB -0.188 32.283 32.500 -0.048 0.000 0.718 381 K HN -0.083 nan 8.250 nan 0.000 0.442 382 R N 1.897 122.370 120.500 -0.044 0.000 2.159 382 R HA -0.205 4.135 4.340 -0.000 0.000 0.252 382 R C 2.048 178.322 176.300 -0.045 0.000 1.144 382 R CA 2.668 58.745 56.100 -0.038 0.000 0.961 382 R CB -1.132 29.150 30.300 -0.029 0.000 0.877 382 R HN 0.388 nan 8.270 nan 0.000 0.444 383 T N -1.681 112.844 114.554 -0.048 0.000 3.085 383 T HA 0.191 4.541 4.350 -0.000 0.000 0.264 383 T C 1.262 175.927 174.700 -0.058 0.000 1.019 383 T CA 0.044 62.117 62.100 -0.044 0.000 0.910 383 T CB -0.099 68.750 68.868 -0.032 0.000 1.059 383 T HN 0.319 nan 8.240 nan 0.000 0.542 384 L N 0.393 121.565 121.223 -0.085 0.000 2.168 384 L HA 0.360 4.700 4.340 -0.000 0.000 0.203 384 L C 2.515 179.310 176.870 -0.124 0.000 1.078 384 L CA 0.379 55.148 54.840 -0.118 0.000 0.780 384 L CB -0.135 41.825 42.059 -0.165 0.000 0.939 384 L HN 0.004 nan 8.230 nan 0.000 0.451 385 R N 0.496 120.925 120.500 -0.119 0.000 2.316 385 R HA -0.199 4.141 4.340 -0.000 0.000 0.232 385 R C 1.678 177.947 176.300 -0.052 0.000 1.137 385 R CA 1.117 57.161 56.100 -0.093 0.000 1.012 385 R CB -1.128 29.124 30.300 -0.079 0.000 0.859 385 R HN 0.570 nan 8.270 nan 0.000 0.474 386 D N 0.386 120.760 120.400 -0.044 0.000 2.178 386 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 386 D C 1.782 178.089 176.300 0.012 0.000 0.974 386 D CA 0.691 54.683 54.000 -0.015 0.000 0.841 386 D CB 0.182 40.971 40.800 -0.018 0.000 0.953 386 D HN 0.227 nan 8.370 nan 0.000 0.478 387 I N 0.435 120.994 120.570 -0.019 0.000 2.353 387 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 387 I C 1.221 177.401 176.117 0.104 0.000 1.119 387 I CA 0.482 61.791 61.300 0.015 0.000 1.417 387 I CB -0.159 37.725 38.000 -0.192 0.000 1.078 387 I HN -0.120 nan 8.210 nan 0.000 0.421 388 E N 1.055 121.261 120.200 0.010 0.000 2.467 388 E HA 0.002 4.352 4.350 -0.000 0.000 0.321 388 E C 0.377 177.003 176.600 0.043 0.000 1.388 388 E CA 0.365 56.786 56.400 0.034 0.000 1.508 388 E CB -0.263 29.423 29.700 -0.024 0.000 1.250 388 E HN 0.198 nan 8.360 nan 0.000 0.500 389 T N 0.215 114.819 114.554 0.084 0.000 3.304 389 T HA 0.031 4.381 4.350 -0.000 0.000 0.269 389 T C 0.544 175.259 174.700 0.025 0.000 0.895 389 T CA -0.347 61.779 62.100 0.042 0.000 0.948 389 T CB -0.441 68.450 68.868 0.039 0.000 1.242 389 T HN 0.348 nan 8.240 nan 0.000 0.522 390 F N 1.669 121.557 119.950 -0.104 0.000 2.780 390 F HA 0.358 4.885 4.527 -0.000 0.000 0.299 390 F C -0.601 174.852 175.800 -0.579 0.000 1.146 390 F CA 0.081 57.883 58.000 -0.330 0.000 1.428 390 F CB 0.342 39.096 39.000 -0.410 0.000 1.115 390 F HN 0.133 nan 8.300 nan 0.000 0.583 391 Y N 0.811 121.126 120.300 0.025 0.000 2.363 391 Y HA 0.211 4.761 4.550 -0.000 0.000 0.325 391 Y C 0.762 176.632 175.900 -0.050 0.000 0.984 391 Y CA -1.354 56.733 58.100 -0.020 0.000 1.248 391 Y CB 0.143 38.605 38.460 0.005 0.000 1.116 391 Y HN -0.019 nan 8.280 nan 0.000 0.470 392 N N 0.172 118.886 118.700 0.023 0.000 2.515 392 N HA -0.066 4.674 4.740 -0.000 0.000 0.191 392 N C 0.178 175.706 175.510 0.030 0.000 1.182 392 N CA 0.168 53.221 53.050 0.005 0.000 0.879 392 N CB 0.110 38.572 38.487 -0.040 0.000 0.984 392 N HN 0.504 nan 8.380 nan 0.000 0.453 393 T N -0.034 114.566 114.554 0.077 0.000 2.744 393 T HA 0.340 4.689 4.350 -0.000 0.000 0.291 393 T C -0.236 174.482 174.700 0.031 0.000 0.957 393 T CA -0.512 61.621 62.100 0.056 0.000 1.002 393 T CB 0.431 69.347 68.868 0.080 0.000 0.919 393 T HN 0.147 nan 8.240 nan 0.000 0.468 394 S N 4.698 120.397 115.700 -0.002 0.000 2.600 394 S HA 0.486 4.956 4.470 -0.000 0.000 0.265 394 S C 0.271 174.845 174.600 -0.044 0.000 1.325 394 S CA -0.852 57.335 58.200 -0.021 0.000 1.002 394 S CB 0.364 63.545 63.200 -0.032 0.000 0.921 394 S HN 0.802 nan 8.310 nan 0.000 0.554 395 I N 0.199 120.752 120.570 -0.028 0.000 2.439 395 I HA 0.501 4.671 4.170 -0.000 0.000 0.283 395 I C -0.364 175.802 176.117 0.082 0.000 1.023 395 I CA -0.832 60.464 61.300 -0.006 0.000 1.100 395 I CB 1.359 39.386 38.000 0.045 0.000 1.238 395 I HN 0.538 nan 8.210 nan 0.000 0.445 396 E N 4.967 125.044 120.200 -0.204 0.000 2.283 396 E HA 0.391 4.741 4.350 -0.000 0.000 0.267 396 E C -0.339 176.034 176.600 -0.378 0.000 1.045 396 E CA -0.720 55.526 56.400 -0.256 0.000 0.884 396 E CB 1.554 30.965 29.700 -0.482 0.000 1.106 396 E HN 0.524 nan 8.360 nan 0.000 0.408 397 E N 0.594 120.561 120.200 -0.388 0.000 2.438 397 E HA -0.038 4.312 4.350 -0.000 0.000 0.261 397 E C 0.311 176.878 176.600 -0.054 0.000 1.103 397 E CA -0.024 55.992 56.400 -0.641 0.000 0.959 397 E CB 0.412 29.954 29.700 -0.262 0.000 0.958 397 E HN 0.410 nan 8.360 nan 0.000 0.447 398 M N 0.000 119.516 119.600 -0.140 0.000 2.572 398 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 398 M CA 0.000 55.267 55.300 -0.055 0.000 0.988 398 M CB 0.000 32.536 32.600 -0.106 0.000 1.302 398 M HN 0.000 nan 8.290 nan 0.000 0.411