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 3lq1_1_B DATA FIRST_RESID 2 DATA SEQUENCE TNHEQVLTDY LAAFIEELVQ AGVKEAIISP GSRSTPLALM MAEHPILKIY DATA SEQUENCE VDVDERSAGF FALGLAKASK RPVVLLCTSG TAAANYFPAV AEANLSQIPL DATA SEQUENCE IVLTADRPHE LRNVGAPQAM DQLHLYGSHV KDFTDMALPE NSEEMLRYAK DATA SEQUENCE WHGSRAVDIA MKTPRGPVHL NFPLREPLVP ILEPSPFTXX XXXXXXXXXY DATA SEQUENCE YTHEVLDDSS IQKMVTECTG KKGVFVVGPI DKKELEQPMV DLAKKLGWPI DATA SEQUENCE LADPLSGLRS YGALDEVVID QYDAFLKEAE IIDKLTPEVV IRFGSMPVSK DATA SEQUENCE PLKNWLEQLS DIRFYVVDPG AAWKDPIKAV TDMIHCDERF LLDIMQQNMP DATA SEQUENCE DDAKDAAWLN GWTSYNKVAR EIVLAEMANT TILEEGKIVA ELRRLLPDKA DATA SEQUENCE GLFIGNSMPI RDVDTYFSQI DKKIKMLANR GANGIDGVVS SALGASVVFQ DATA SEQUENCE PMFLLIGDLS FYHDMNGLLM AKKYKMNLTI VIVNNDXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XELDFRFAAA FYDADYHEAK SVDELEEAID KASYHKGLDI DATA SEQUENCE IEVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.757 174.700 0.095 0.000 1.109 2 T CA 0.000 62.137 62.100 0.062 0.000 1.349 2 T CB 0.000 68.884 68.868 0.027 0.000 0.612 3 N N 0.563 119.296 118.700 0.055 0.000 2.605 3 N HA 0.179 4.919 4.740 -0.000 0.000 0.258 3 N C 1.210 176.765 175.510 0.074 0.000 1.156 3 N CA -0.076 53.013 53.050 0.064 0.000 1.008 3 N CB -0.546 37.961 38.487 0.034 0.000 1.354 3 N HN 0.695 nan 8.380 nan 0.000 0.509 4 H N 1.489 120.558 119.070 -0.001 0.000 2.390 4 H HA -0.139 4.416 4.556 -0.000 0.000 0.298 4 H C 0.595 175.928 175.328 0.008 0.000 1.106 4 H CA 1.718 57.766 56.048 -0.001 0.000 1.297 4 H CB 0.668 30.429 29.762 -0.002 0.000 1.375 4 H HN 0.651 nan 8.280 nan 0.000 0.509 5 E N -0.041 120.233 120.200 0.124 0.000 2.107 5 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 5 E C 2.419 179.047 176.600 0.047 0.000 0.982 5 E CA 0.351 56.797 56.400 0.077 0.000 0.809 5 E CB 0.178 29.914 29.700 0.061 0.000 0.756 5 E HN 0.297 nan 8.360 nan 0.000 0.459 6 Q N 0.378 120.198 119.800 0.034 0.000 2.083 6 Q HA -0.087 4.253 4.340 -0.000 0.000 0.198 6 Q C 2.400 178.414 176.000 0.024 0.000 0.969 6 Q CA 0.830 56.646 55.803 0.021 0.000 0.838 6 Q CB -0.130 28.617 28.738 0.015 0.000 0.900 6 Q HN 0.199 nan 8.270 nan 0.000 0.436 7 V N 1.427 121.344 119.914 0.004 0.000 2.282 7 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 7 V C 2.473 178.589 176.094 0.035 0.000 1.057 7 V CA 1.800 64.092 62.300 -0.013 0.000 1.032 7 V CB -0.645 31.110 31.823 -0.115 0.000 0.645 7 V HN 0.290 nan 8.190 nan 0.000 0.447 8 L N -0.592 120.649 121.223 0.030 0.000 2.093 8 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 8 L C 2.487 179.436 176.870 0.131 0.000 1.085 8 L CA 2.123 57.016 54.840 0.088 0.000 0.755 8 L CB -0.433 41.671 42.059 0.075 0.000 0.904 8 L HN 0.388 nan 8.230 nan 0.000 0.435 9 T N -0.716 113.887 114.554 0.081 0.000 2.737 9 T HA -0.166 4.184 4.350 -0.000 0.000 0.265 9 T C 1.438 176.176 174.700 0.063 0.000 1.038 9 T CA 1.498 63.630 62.100 0.053 0.000 1.144 9 T CB -0.317 68.555 68.868 0.006 0.000 0.866 9 T HN 0.387 nan 8.240 nan 0.000 0.434 10 D N 0.097 120.545 120.400 0.080 0.000 2.097 10 D HA -0.079 4.561 4.640 -0.000 0.000 0.195 10 D C 1.759 178.167 176.300 0.179 0.000 0.989 10 D CA 1.041 55.099 54.000 0.096 0.000 0.827 10 D CB -0.498 40.357 40.800 0.092 0.000 0.966 10 D HN 0.453 nan 8.370 nan 0.000 0.456 11 Y N 1.212 121.569 120.300 0.095 0.000 2.128 11 Y HA -0.177 4.373 4.550 -0.000 0.000 0.284 11 Y C 2.261 178.286 175.900 0.208 0.000 1.154 11 Y CA 1.385 59.576 58.100 0.152 0.000 1.149 11 Y CB -0.135 38.404 38.460 0.132 0.000 0.976 11 Y HN -0.089 nan 8.280 nan 0.000 0.505 12 L N -0.837 120.527 121.223 0.235 0.000 2.131 12 L HA -0.075 4.265 4.340 -0.000 0.000 0.206 12 L C 2.771 179.782 176.870 0.235 0.000 1.087 12 L CA 0.724 55.672 54.840 0.179 0.000 0.767 12 L CB -0.869 41.282 42.059 0.153 0.000 0.917 12 L HN 0.275 nan 8.230 nan 0.000 0.441 13 A N 0.547 123.488 122.820 0.202 0.000 1.908 13 A HA -0.210 4.109 4.320 -0.000 0.000 0.218 13 A C 2.554 180.324 177.584 0.310 0.000 1.181 13 A CA 1.879 54.073 52.037 0.261 0.000 0.627 13 A CB -0.703 18.264 19.000 -0.054 0.000 0.818 13 A HN 0.384 nan 8.150 nan 0.000 0.445 14 A N -1.381 121.556 122.820 0.197 0.000 1.933 14 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 14 A C 2.062 179.744 177.584 0.164 0.000 1.175 14 A CA 1.684 53.821 52.037 0.167 0.000 0.628 14 A CB -0.668 18.414 19.000 0.137 0.000 0.814 14 A HN 0.699 nan 8.150 nan 0.000 0.444 15 F N 0.382 120.343 119.950 0.018 0.000 2.128 15 F HA -0.060 4.467 4.527 -0.000 0.000 0.295 15 F C 1.937 177.746 175.800 0.015 0.000 1.100 15 F CA 1.561 59.562 58.000 0.002 0.000 1.260 15 F CB -0.235 38.758 39.000 -0.011 0.000 1.009 15 F HN 0.160 nan 8.300 nan 0.000 0.476 16 I N 0.227 120.823 120.570 0.043 0.000 2.202 16 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 16 I C 2.383 178.364 176.117 -0.227 0.000 1.091 16 I CA 1.647 62.876 61.300 -0.118 0.000 1.368 16 I CB -0.572 37.462 38.000 0.057 0.000 1.058 16 I HN 0.127 nan 8.210 nan 0.000 0.410 17 E N 1.176 121.373 120.200 -0.004 0.000 2.097 17 E HA -0.266 4.084 4.350 -0.000 0.000 0.196 17 E C 2.036 178.588 176.600 -0.081 0.000 1.000 17 E CA 1.571 57.986 56.400 0.025 0.000 0.804 17 E CB -0.069 29.781 29.700 0.250 0.000 0.740 17 E HN 0.293 nan 8.360 nan 0.000 0.454 18 E N -0.159 119.972 120.200 -0.114 0.000 2.208 18 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 18 E C 2.218 178.677 176.600 -0.235 0.000 0.988 18 E CA 0.551 56.862 56.400 -0.148 0.000 0.828 18 E CB -0.150 29.473 29.700 -0.129 0.000 0.763 18 E HN 0.391 nan 8.360 nan 0.000 0.478 19 L N 0.081 121.090 121.223 -0.356 0.000 2.056 19 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 19 L C 2.475 179.189 176.870 -0.261 0.000 1.078 19 L CA 0.791 55.421 54.840 -0.350 0.000 0.749 19 L CB -0.540 41.257 42.059 -0.437 0.000 0.901 19 L HN -0.013 nan 8.230 nan 0.000 0.433 20 V N -0.591 119.145 119.914 -0.296 0.000 2.343 20 V HA -0.310 3.809 4.120 -0.000 0.000 0.247 20 V C 2.388 178.393 176.094 -0.148 0.000 1.051 20 V CA 1.744 63.887 62.300 -0.261 0.000 1.036 20 V CB -0.556 31.017 31.823 -0.417 0.000 0.654 20 V HN 0.481 nan 8.190 nan 0.000 0.451 21 Q N -0.483 119.245 119.800 -0.119 0.000 2.224 21 Q HA -0.092 4.248 4.340 -0.000 0.000 0.203 21 Q C 2.086 178.036 176.000 -0.083 0.000 0.970 21 Q CA 1.363 57.123 55.803 -0.072 0.000 0.865 21 Q CB -0.151 28.560 28.738 -0.044 0.000 0.922 21 Q HN 0.682 nan 8.270 nan 0.000 0.445 22 A N -1.157 121.595 122.820 -0.113 0.000 2.178 22 A HA 0.282 4.602 4.320 -0.000 0.000 0.211 22 A C 1.349 178.874 177.584 -0.099 0.000 1.157 22 A CA 0.942 52.911 52.037 -0.112 0.000 0.780 22 A CB 0.242 19.160 19.000 -0.137 0.000 0.828 22 A HN 0.483 nan 8.150 nan 0.000 0.476 23 G N -2.100 106.642 108.800 -0.097 0.000 2.370 23 G HA2 -0.066 3.893 3.960 -0.000 0.000 0.174 23 G HA3 -0.066 3.893 3.960 -0.000 0.000 0.174 23 G C -0.038 174.815 174.900 -0.080 0.000 1.002 23 G CA -0.065 44.992 45.100 -0.073 0.000 0.730 23 G HN 0.516 nan 8.290 nan 0.000 0.497 24 V N 2.470 122.316 119.914 -0.113 0.000 2.470 24 V HA 0.334 4.454 4.120 -0.000 0.000 0.276 24 V C 1.146 177.170 176.094 -0.117 0.000 1.040 24 V CA 0.204 62.436 62.300 -0.114 0.000 1.008 24 V CB 1.396 33.132 31.823 -0.145 0.000 0.990 24 V HN 0.214 nan 8.190 nan 0.000 0.477 25 K N 2.913 123.266 120.400 -0.078 0.000 2.350 25 K HA 0.261 4.581 4.320 -0.000 0.000 0.196 25 K C 0.297 176.868 176.600 -0.047 0.000 1.084 25 K CA 0.305 56.553 56.287 -0.065 0.000 0.967 25 K CB 0.775 33.251 32.500 -0.040 0.000 0.950 25 K HN 0.643 nan 8.250 nan 0.000 0.512 26 E N -0.014 120.176 120.200 -0.017 0.000 2.238 26 E HA 0.579 4.929 4.350 -0.000 0.000 0.267 26 E C -1.425 175.197 176.600 0.037 0.000 0.887 26 E CA -0.578 55.850 56.400 0.046 0.000 0.769 26 E CB 2.224 32.020 29.700 0.159 0.000 1.187 26 E HN 0.139 nan 8.360 nan 0.000 0.416 27 A N 2.940 125.797 122.820 0.063 0.000 2.374 27 A HA 0.602 4.922 4.320 -0.000 0.000 0.305 27 A C -1.148 176.519 177.584 0.137 0.000 1.053 27 A CA -0.734 51.341 52.037 0.064 0.000 0.726 27 A CB 0.728 19.736 19.000 0.013 0.000 1.229 27 A HN 0.488 nan 8.150 nan 0.000 0.431 28 I N 3.733 124.391 120.570 0.146 0.000 2.328 28 I HA 0.355 4.524 4.170 -0.000 0.000 0.287 28 I C -0.310 175.899 176.117 0.152 0.000 1.012 28 I CA -0.193 61.216 61.300 0.182 0.000 1.195 28 I CB 0.377 38.502 38.000 0.207 0.000 1.350 28 I HN 0.479 nan 8.210 nan 0.000 0.464 29 I N 4.637 125.291 120.570 0.139 0.000 2.392 29 I HA 0.327 4.497 4.170 -0.000 0.000 0.295 29 I C 0.292 176.487 176.117 0.131 0.000 0.985 29 I CA -0.263 61.116 61.300 0.132 0.000 1.221 29 I CB 1.785 39.845 38.000 0.100 0.000 1.366 29 I HN 0.477 nan 8.210 nan 0.000 0.467 30 S N 6.990 122.773 115.700 0.137 0.000 2.454 30 S HA 0.495 4.965 4.470 -0.000 0.000 0.306 30 S C -2.339 172.305 174.600 0.073 0.000 1.100 30 S CA -1.171 57.088 58.200 0.099 0.000 1.087 30 S CB 1.681 64.933 63.200 0.088 0.000 1.019 30 S HN 0.420 nan 8.310 nan 0.000 0.480 31 P HA 0.630 nan 4.420 nan 0.000 0.276 31 P C 0.030 177.352 177.300 0.037 0.000 1.261 31 P CA -0.162 62.967 63.100 0.047 0.000 0.800 31 P CB 0.718 32.444 31.700 0.042 0.000 1.066 32 G N -1.262 107.558 108.800 0.034 0.000 2.350 32 G HA2 0.115 4.075 3.960 -0.000 0.000 0.304 32 G HA3 0.115 4.075 3.960 -0.000 0.000 0.304 32 G C 0.480 175.398 174.900 0.031 0.000 1.421 32 G CA -0.228 44.889 45.100 0.028 0.000 0.934 32 G HN 0.238 nan 8.290 nan 0.000 0.632 33 S N -0.740 114.976 115.700 0.027 0.000 2.368 33 S HA -0.100 4.370 4.470 -0.000 0.000 0.225 33 S C 2.303 176.923 174.600 0.034 0.000 1.030 33 S CA 1.761 59.978 58.200 0.028 0.000 0.999 33 S CB -0.107 63.107 63.200 0.024 0.000 0.844 33 S HN 0.532 nan 8.310 nan 0.000 0.459 34 R N 1.242 121.765 120.500 0.038 0.000 2.210 34 R HA 0.111 4.451 4.340 -0.000 0.000 0.203 34 R C 2.295 178.625 176.300 0.050 0.000 1.010 34 R CA 1.017 57.145 56.100 0.047 0.000 1.008 34 R CB -0.180 30.150 30.300 0.051 0.000 0.923 34 R HN 0.466 nan 8.270 nan 0.000 0.469 35 S N -1.622 114.107 115.700 0.048 0.000 2.527 35 S HA -0.032 4.438 4.470 -0.000 0.000 0.222 35 S C 1.510 176.135 174.600 0.041 0.000 0.985 35 S CA 0.837 59.065 58.200 0.048 0.000 0.921 35 S CB -0.099 63.136 63.200 0.060 0.000 0.772 35 S HN 0.197 nan 8.310 nan 0.000 0.529 36 T N 3.607 118.186 114.554 0.042 0.000 2.665 36 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 36 T C -0.506 174.220 174.700 0.043 0.000 1.035 36 T CA 1.693 63.818 62.100 0.042 0.000 1.151 36 T CB -1.788 67.103 68.868 0.039 0.000 0.862 36 T HN 0.476 nan 8.240 nan 0.000 0.438 37 P HA 0.027 nan 4.420 nan 0.000 0.217 37 P C 1.645 178.972 177.300 0.045 0.000 1.150 37 P CA 0.912 64.041 63.100 0.048 0.000 0.832 37 P CB -0.220 31.512 31.700 0.053 0.000 0.787 38 L N -0.620 120.613 121.223 0.017 0.000 2.109 38 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 38 L C 2.773 179.665 176.870 0.036 0.000 1.086 38 L CA 1.513 56.351 54.840 -0.004 0.000 0.760 38 L CB -1.048 40.958 42.059 -0.087 0.000 0.910 38 L HN -0.076 nan 8.230 nan 0.000 0.437 39 A N -0.264 122.581 122.820 0.042 0.000 1.898 39 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 39 A C 2.231 179.853 177.584 0.063 0.000 1.181 39 A CA 1.261 53.330 52.037 0.053 0.000 0.620 39 A CB -0.639 18.393 19.000 0.054 0.000 0.819 39 A HN 0.328 nan 8.150 nan 0.000 0.442 40 L N -1.472 119.791 121.223 0.066 0.000 2.046 40 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 40 L C 2.822 179.757 176.870 0.109 0.000 1.077 40 L CA 1.571 56.456 54.840 0.074 0.000 0.747 40 L CB -0.282 41.816 42.059 0.064 0.000 0.896 40 L HN 0.436 nan 8.230 nan 0.000 0.432 41 M N -1.420 118.259 119.600 0.132 0.000 2.419 41 M HA -0.116 4.363 4.480 -0.000 0.000 0.264 41 M C 2.161 178.634 176.300 0.289 0.000 1.082 41 M CA 1.169 56.607 55.300 0.229 0.000 1.119 41 M CB 0.181 32.912 32.600 0.218 0.000 1.398 41 M HN 0.269 nan 8.290 nan 0.000 0.453 42 M N -0.990 118.700 119.600 0.150 0.000 2.254 42 M HA -0.070 4.410 4.480 -0.000 0.000 0.265 42 M C 2.206 178.542 176.300 0.060 0.000 1.066 42 M CA 1.182 56.520 55.300 0.065 0.000 1.123 42 M CB -0.321 32.289 32.600 0.016 0.000 1.388 42 M HN 0.328 nan 8.290 nan 0.000 0.425 43 A N 0.041 122.910 122.820 0.081 0.000 1.930 43 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 43 A C 1.943 179.582 177.584 0.092 0.000 1.175 43 A CA 1.268 53.345 52.037 0.066 0.000 0.627 43 A CB -0.414 18.622 19.000 0.059 0.000 0.815 43 A HN 0.328 nan 8.150 nan 0.000 0.443 44 E N -0.054 120.241 120.200 0.157 0.000 2.338 44 E HA -0.103 4.246 4.350 -0.000 0.000 0.197 44 E C 0.245 176.976 176.600 0.219 0.000 1.007 44 E CA 0.159 56.678 56.400 0.198 0.000 0.849 44 E CB -0.365 29.485 29.700 0.250 0.000 0.774 44 E HN 0.668 nan 8.360 nan 0.000 0.506 45 H N 1.968 121.045 119.070 0.011 0.000 2.899 45 H HA 0.005 4.561 4.556 -0.000 0.000 0.303 45 H C -1.428 173.818 175.328 -0.136 0.000 1.042 45 H CA -1.347 54.534 56.048 -0.279 0.000 1.479 45 H CB 1.336 30.719 29.762 -0.631 0.000 1.493 45 H HN -0.096 nan 8.280 nan 0.000 0.534 46 P HA -0.139 nan 4.420 nan 0.000 0.216 46 P C 1.589 178.890 177.300 0.002 0.000 1.153 46 P CA 1.125 64.174 63.100 -0.086 0.000 0.848 46 P CB 0.504 32.123 31.700 -0.135 0.000 0.787 47 I N -1.246 119.382 120.570 0.096 0.000 2.333 47 I HA -0.079 4.091 4.170 -0.000 0.000 0.246 47 I C 1.327 177.467 176.117 0.040 0.000 1.106 47 I CA -0.057 61.292 61.300 0.081 0.000 1.411 47 I CB -0.540 37.517 38.000 0.096 0.000 1.082 47 I HN -0.106 nan 8.210 nan 0.000 0.420 48 L N 3.047 124.303 121.223 0.055 0.000 2.562 48 L HA 0.030 4.370 4.340 -0.000 0.000 0.271 48 L C 0.429 177.257 176.870 -0.070 0.000 1.167 48 L CA 0.728 55.519 54.840 -0.082 0.000 0.917 48 L CB -0.280 41.653 42.059 -0.210 0.000 1.187 48 L HN 0.002 nan 8.230 nan 0.000 0.482 49 K N 5.844 126.189 120.400 -0.091 0.000 2.249 49 K HA 0.403 4.723 4.320 -0.000 0.000 0.280 49 K C -0.873 175.601 176.600 -0.210 0.000 1.033 49 K CA -0.332 55.858 56.287 -0.162 0.000 0.946 49 K CB 0.711 33.108 32.500 -0.173 0.000 1.005 49 K HN 0.637 nan 8.250 nan 0.000 0.469 50 I N 4.462 124.846 120.570 -0.311 0.000 2.466 50 I HA 0.229 4.399 4.170 -0.000 0.000 0.289 50 I C -1.146 174.721 176.117 -0.417 0.000 1.026 50 I CA -0.949 60.213 61.300 -0.231 0.000 1.078 50 I CB 1.331 39.286 38.000 -0.076 0.000 1.249 50 I HN 0.496 nan 8.210 nan 0.000 0.429 51 Y N 5.047 125.287 120.300 -0.101 0.000 2.377 51 Y HA 0.541 5.090 4.550 -0.000 0.000 0.339 51 Y C -0.133 175.744 175.900 -0.039 0.000 1.011 51 Y CA -0.986 56.963 58.100 -0.252 0.000 1.093 51 Y CB 1.840 40.060 38.460 -0.400 0.000 1.201 51 Y HN 0.100 nan 8.280 nan 0.000 0.455 52 V N 3.264 123.337 119.914 0.265 0.000 2.347 52 V HA 0.274 4.394 4.120 -0.000 0.000 0.280 52 V C -0.783 175.395 176.094 0.140 0.000 1.021 52 V CA -0.608 61.805 62.300 0.188 0.000 0.847 52 V CB 1.280 33.205 31.823 0.170 0.000 0.990 52 V HN 0.695 nan 8.190 nan 0.000 0.444 53 D N 3.508 123.950 120.400 0.070 0.000 2.505 53 D HA 0.301 4.941 4.640 -0.000 0.000 0.250 53 D C 0.749 177.084 176.300 0.059 0.000 1.164 53 D CA -0.382 53.634 54.000 0.028 0.000 0.870 53 D CB 2.343 43.123 40.800 -0.034 0.000 1.160 53 D HN 0.313 nan 8.370 nan 0.000 0.549 54 V N 0.906 120.851 119.914 0.052 0.000 2.667 54 V HA 0.005 4.125 4.120 -0.000 0.000 0.252 54 V C 0.936 177.060 176.094 0.051 0.000 1.065 54 V CA 0.619 62.950 62.300 0.051 0.000 1.083 54 V CB -0.329 31.522 31.823 0.046 0.000 0.692 54 V HN 0.422 nan 8.190 nan 0.000 0.468 55 D N 0.709 121.143 120.400 0.057 0.000 2.339 55 D HA 0.157 4.796 4.640 -0.000 0.000 0.241 55 D C 0.912 177.266 176.300 0.091 0.000 1.183 55 D CA -0.067 53.971 54.000 0.064 0.000 0.859 55 D CB 1.737 42.575 40.800 0.063 0.000 1.067 55 D HN 0.314 nan 8.370 nan 0.000 0.484 56 E N 2.499 122.740 120.200 0.068 0.000 2.150 56 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 56 E C 1.817 178.539 176.600 0.203 0.000 0.985 56 E CA 0.728 57.174 56.400 0.076 0.000 0.814 56 E CB 0.164 29.770 29.700 -0.157 0.000 0.752 56 E HN 0.432 nan 8.360 nan 0.000 0.466 57 R N 0.140 120.749 120.500 0.181 0.000 2.066 57 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 57 R C 2.402 178.919 176.300 0.362 0.000 1.131 57 R CA 1.597 57.862 56.100 0.275 0.000 0.955 57 R CB -0.378 30.070 30.300 0.246 0.000 0.851 57 R HN 0.165 nan 8.270 nan 0.000 0.432 58 S N -0.032 115.817 115.700 0.249 0.000 2.370 58 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 58 S C 2.016 176.766 174.600 0.250 0.000 1.033 58 S CA 1.309 59.641 58.200 0.220 0.000 1.011 58 S CB -0.302 62.955 63.200 0.095 0.000 0.852 58 S HN 0.526 nan 8.310 nan 0.000 0.457 59 A N 1.003 123.954 122.820 0.219 0.000 1.892 59 A HA 0.035 4.355 4.320 -0.000 0.000 0.218 59 A C 2.425 180.140 177.584 0.220 0.000 1.188 59 A CA 2.057 54.230 52.037 0.227 0.000 0.631 59 A CB -1.845 17.322 19.000 0.277 0.000 0.822 59 A HN 0.678 nan 8.150 nan 0.000 0.447 60 G N -1.587 107.332 108.800 0.200 0.000 2.440 60 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 60 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 60 G C 1.400 176.227 174.900 -0.123 0.000 1.154 60 G CA 1.101 46.162 45.100 -0.065 0.000 0.767 60 G HN 0.468 nan 8.290 nan 0.000 0.552 61 F N -0.697 119.287 119.950 0.057 0.000 2.325 61 F HA 0.174 4.700 4.527 -0.000 0.000 0.299 61 F C 2.148 177.952 175.800 0.007 0.000 1.090 61 F CA 0.476 58.484 58.000 0.014 0.000 1.392 61 F CB -0.174 38.824 39.000 -0.003 0.000 1.053 61 F HN 0.155 nan 8.300 nan 0.000 0.521 62 F N 0.629 120.621 119.950 0.071 0.000 2.113 62 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 62 F C 2.360 178.110 175.800 -0.083 0.000 1.103 62 F CA 1.323 59.298 58.000 -0.041 0.000 1.248 62 F CB -0.459 38.500 39.000 -0.067 0.000 0.999 62 F HN -0.098 nan 8.300 nan 0.000 0.475 63 A N 0.265 123.114 122.820 0.049 0.000 1.933 63 A HA -0.168 4.151 4.320 -0.000 0.000 0.218 63 A C 2.103 179.613 177.584 -0.123 0.000 1.175 63 A CA 1.667 53.663 52.037 -0.069 0.000 0.628 63 A CB -1.199 17.770 19.000 -0.052 0.000 0.814 63 A HN 0.538 nan 8.150 nan 0.000 0.444 64 L N -0.151 121.014 121.223 -0.097 0.000 1.994 64 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 64 L C 2.447 179.297 176.870 -0.033 0.000 1.071 64 L CA 2.345 57.144 54.840 -0.069 0.000 0.745 64 L CB -0.771 41.255 42.059 -0.055 0.000 0.892 64 L HN 0.305 nan 8.230 nan 0.000 0.431 65 G N -0.640 108.131 108.800 -0.048 0.000 2.408 65 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 65 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 65 G C 1.536 176.369 174.900 -0.111 0.000 1.150 65 G CA 0.861 45.943 45.100 -0.030 0.000 0.776 65 G HN 0.389 nan 8.290 nan 0.000 0.542 66 L N 1.334 122.393 121.223 -0.273 0.000 2.027 66 L HA 0.218 4.557 4.340 -0.000 0.000 0.206 66 L C 2.956 179.743 176.870 -0.139 0.000 1.074 66 L CA 2.218 56.890 54.840 -0.279 0.000 0.745 66 L CB -0.708 41.094 42.059 -0.427 0.000 0.898 66 L HN 0.198 nan 8.230 nan 0.000 0.433 67 A N -0.809 121.947 122.820 -0.105 0.000 1.969 67 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 67 A C 2.436 180.008 177.584 -0.020 0.000 1.169 67 A CA 1.633 53.635 52.037 -0.058 0.000 0.635 67 A CB -0.572 18.394 19.000 -0.056 0.000 0.810 67 A HN 0.501 nan 8.150 nan 0.000 0.445 68 K N -0.223 120.177 120.400 0.000 0.000 2.057 68 K HA -0.066 4.254 4.320 -0.000 0.000 0.206 68 K C 2.099 178.742 176.600 0.071 0.000 1.050 68 K CA 1.210 57.522 56.287 0.042 0.000 0.935 68 K CB -0.262 32.284 32.500 0.077 0.000 0.715 68 K HN 0.367 nan 8.250 nan 0.000 0.439 69 A N 0.595 123.468 122.820 0.088 0.000 1.930 69 A HA -0.076 4.243 4.320 -0.000 0.000 0.215 69 A C 1.964 179.599 177.584 0.087 0.000 1.176 69 A CA 1.707 53.857 52.037 0.189 0.000 0.632 69 A CB -0.297 18.834 19.000 0.219 0.000 0.819 69 A HN 0.498 nan 8.150 nan 0.000 0.445 70 S N -1.904 113.785 115.700 -0.018 0.000 2.524 70 S HA 0.112 4.582 4.470 -0.000 0.000 0.216 70 S C 0.699 175.284 174.600 -0.025 0.000 0.987 70 S CA 0.545 58.705 58.200 -0.066 0.000 0.909 70 S CB 0.065 63.208 63.200 -0.095 0.000 0.781 70 S HN 0.393 nan 8.310 nan 0.000 0.521 71 K N 0.211 120.612 120.400 0.001 0.000 3.160 71 K HA -0.164 4.156 4.320 -0.000 0.000 0.280 71 K C -0.132 176.469 176.600 0.001 0.000 1.154 71 K CA 0.637 56.930 56.287 0.009 0.000 0.822 71 K CB -1.742 30.769 32.500 0.019 0.000 1.239 71 K HN 0.591 nan 8.250 nan 0.000 0.489 72 R N 0.805 121.295 120.500 -0.016 0.000 2.664 72 R HA 0.322 4.662 4.340 -0.000 0.000 0.286 72 R C -2.385 173.898 176.300 -0.029 0.000 0.967 72 R CA -2.008 54.078 56.100 -0.023 0.000 0.933 72 R CB 1.522 31.801 30.300 -0.036 0.000 1.146 72 R HN -0.194 nan 8.270 nan 0.000 0.468 73 P HA 0.090 nan 4.420 nan 0.000 0.282 73 P C -0.981 176.291 177.300 -0.047 0.000 1.262 73 P CA -0.131 62.944 63.100 -0.041 0.000 0.773 73 P CB 1.134 32.805 31.700 -0.049 0.000 0.879 74 V N 4.879 124.765 119.914 -0.046 0.000 2.448 74 V HA 0.192 4.312 4.120 -0.000 0.000 0.295 74 V C 0.526 176.597 176.094 -0.038 0.000 1.025 74 V CA -0.933 61.343 62.300 -0.040 0.000 0.859 74 V CB 2.248 34.043 31.823 -0.046 0.000 0.988 74 V HN 0.269 nan 8.190 nan 0.000 0.431 75 V N 6.329 126.230 119.914 -0.022 0.000 2.614 75 V HA 0.312 4.432 4.120 -0.000 0.000 0.291 75 V C 0.076 176.169 176.094 -0.002 0.000 1.049 75 V CA -0.052 62.246 62.300 -0.004 0.000 1.038 75 V CB 1.367 33.192 31.823 0.004 0.000 0.980 75 V HN 0.603 nan 8.190 nan 0.000 0.481 76 L N 5.446 126.650 121.223 -0.032 0.000 2.325 76 L HA 0.645 4.985 4.340 -0.000 0.000 0.278 76 L C -0.712 176.222 176.870 0.107 0.000 1.023 76 L CA -0.573 54.236 54.840 -0.052 0.000 0.811 76 L CB 1.761 43.558 42.059 -0.436 0.000 1.249 76 L HN 0.487 nan 8.230 nan 0.000 0.431 77 L N 4.252 125.602 121.223 0.212 0.000 2.436 77 L HA 0.751 5.091 4.340 -0.000 0.000 0.268 77 L C -0.739 176.308 176.870 0.296 0.000 0.974 77 L CA -0.146 54.839 54.840 0.243 0.000 0.826 77 L CB 1.630 43.772 42.059 0.138 0.000 1.291 77 L HN 0.845 nan 8.230 nan 0.000 0.406 78 C N 0.516 119.974 119.300 0.265 0.000 3.291 78 C HA 0.826 5.286 4.460 -0.000 0.000 0.316 78 C C 0.290 175.334 174.990 0.090 0.000 1.391 78 C CA -0.420 58.675 59.018 0.128 0.000 1.394 78 C CB 1.352 29.059 27.740 -0.056 0.000 1.744 78 C HN 0.973 nan 8.230 nan 0.000 0.461 79 T N 0.942 115.520 114.554 0.041 0.000 2.770 79 T HA 0.595 4.945 4.350 -0.000 0.000 0.281 79 T C 0.660 175.379 174.700 0.030 0.000 0.981 79 T CA 0.522 62.647 62.100 0.041 0.000 0.955 79 T CB 0.480 69.365 68.868 0.028 0.000 1.060 79 T HN 1.563 nan 8.240 nan 0.000 0.531 80 S N 0.200 115.920 115.700 0.034 0.000 2.600 80 S HA 0.628 5.098 4.470 -0.000 0.000 0.265 80 S C 0.844 175.444 174.600 0.001 0.000 1.325 80 S CA -0.041 58.175 58.200 0.026 0.000 1.002 80 S CB 0.225 63.443 63.200 0.030 0.000 0.921 80 S HN 1.664 nan 8.310 nan 0.000 0.554 81 G N 1.017 109.811 108.800 -0.010 0.000 2.545 81 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.216 81 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.216 81 G C 0.672 175.548 174.900 -0.040 0.000 1.314 81 G CA 0.650 45.736 45.100 -0.023 0.000 0.906 81 G HN 1.884 nan 8.290 nan 0.000 0.563 82 T N -0.913 113.619 114.554 -0.036 0.000 2.946 82 T HA 0.211 4.561 4.350 -0.000 0.000 0.271 82 T C 2.548 177.213 174.700 -0.058 0.000 1.104 82 T CA 2.500 64.576 62.100 -0.040 0.000 1.114 82 T CB -0.462 68.394 68.868 -0.020 0.000 0.867 82 T HN 2.095 nan 8.240 nan 0.000 0.513 83 A N 1.991 124.766 122.820 -0.076 0.000 1.917 83 A HA 0.168 4.487 4.320 -0.000 0.000 0.219 83 A C 2.849 180.274 177.584 -0.265 0.000 1.182 83 A CA 2.023 53.977 52.037 -0.139 0.000 0.633 83 A CB -1.443 17.488 19.000 -0.114 0.000 0.819 83 A HN 0.799 nan 8.150 nan 0.000 0.448 84 A N -0.478 122.229 122.820 -0.188 0.000 1.969 84 A HA 0.231 4.551 4.320 -0.000 0.000 0.218 84 A C 2.427 179.991 177.584 -0.034 0.000 1.169 84 A CA 1.810 53.755 52.037 -0.152 0.000 0.635 84 A CB -0.839 18.141 19.000 -0.034 0.000 0.810 84 A HN 1.083 nan 8.150 nan 0.000 0.445 85 A N 0.253 123.040 122.820 -0.055 0.000 2.015 85 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 85 A C 1.832 179.493 177.584 0.129 0.000 1.163 85 A CA 1.335 53.378 52.037 0.011 0.000 0.646 85 A CB -0.625 18.359 19.000 -0.026 0.000 0.806 85 A HN 0.626 nan 8.150 nan 0.000 0.448 86 N N -1.203 117.526 118.700 0.047 0.000 2.381 86 N HA -0.126 4.614 4.740 -0.000 0.000 0.182 86 N C 1.221 176.851 175.510 0.200 0.000 1.025 86 N CA 1.070 54.175 53.050 0.092 0.000 0.888 86 N CB -0.283 38.210 38.487 0.010 0.000 0.965 86 N HN 0.764 nan 8.380 nan 0.000 0.438 87 Y N -0.428 119.963 120.300 0.151 0.000 2.439 87 Y HA -0.151 4.399 4.550 -0.000 0.000 0.292 87 Y C 2.141 178.057 175.900 0.027 0.000 1.130 87 Y CA -0.249 57.879 58.100 0.046 0.000 1.254 87 Y CB -0.064 38.399 38.460 0.006 0.000 1.000 87 Y HN -0.047 nan 8.280 nan 0.000 0.554 88 F N 1.748 121.798 119.950 0.167 0.000 2.087 88 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 88 F C -0.806 174.955 175.800 -0.065 0.000 1.100 88 F CA 0.984 59.029 58.000 0.074 0.000 1.226 88 F CB -1.777 37.315 39.000 0.153 0.000 0.983 88 F HN 0.013 nan 8.300 nan 0.000 0.479 89 P HA -0.103 nan 4.420 nan 0.000 0.217 89 P C 1.576 178.687 177.300 -0.315 0.000 1.150 89 P CA 2.258 65.297 63.100 -0.101 0.000 0.832 89 P CB -0.286 31.533 31.700 0.198 0.000 0.787 90 A N -0.658 121.784 122.820 -0.630 0.000 1.929 90 A HA -0.105 4.214 4.320 -0.000 0.000 0.216 90 A C 2.304 179.627 177.584 -0.436 0.000 1.176 90 A CA 1.442 52.932 52.037 -0.912 0.000 0.628 90 A CB -1.606 16.794 19.000 -1.000 0.000 0.816 90 A HN 0.004 nan 8.150 nan 0.000 0.444 91 V N 0.002 119.722 119.914 -0.324 0.000 2.295 91 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 91 V C 3.061 179.081 176.094 -0.124 0.000 1.049 91 V CA 1.931 64.081 62.300 -0.250 0.000 1.024 91 V CB -1.214 30.377 31.823 -0.386 0.000 0.648 91 V HN 0.600 nan 8.190 nan 0.000 0.447 92 A N 0.004 122.720 122.820 -0.173 0.000 1.933 92 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 92 A C 2.197 179.764 177.584 -0.029 0.000 1.175 92 A CA 2.151 54.108 52.037 -0.134 0.000 0.628 92 A CB -0.465 18.259 19.000 -0.460 0.000 0.814 92 A HN 0.586 nan 8.150 nan 0.000 0.444 93 E N 0.252 120.407 120.200 -0.075 0.000 2.072 93 E HA 0.022 4.372 4.350 -0.000 0.000 0.190 93 E C 1.980 178.577 176.600 -0.005 0.000 0.982 93 E CA 1.475 57.868 56.400 -0.010 0.000 0.803 93 E CB -0.506 29.211 29.700 0.027 0.000 0.755 93 E HN 0.428 nan 8.360 nan 0.000 0.453 94 A N 0.705 123.494 122.820 -0.052 0.000 1.908 94 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 94 A C 2.193 179.781 177.584 0.006 0.000 1.181 94 A CA 1.941 53.957 52.037 -0.035 0.000 0.627 94 A CB -1.105 17.846 19.000 -0.081 0.000 0.818 94 A HN 0.424 nan 8.150 nan 0.000 0.445 95 N N -0.214 118.503 118.700 0.028 0.000 2.104 95 N HA -0.115 4.625 4.740 -0.000 0.000 0.190 95 N C 1.432 176.977 175.510 0.059 0.000 1.024 95 N CA 1.846 54.933 53.050 0.062 0.000 0.853 95 N CB -0.326 38.232 38.487 0.118 0.000 1.008 95 N HN 0.470 nan 8.380 nan 0.000 0.424 96 L N -1.232 120.027 121.223 0.060 0.000 2.375 96 L HA 0.163 4.502 4.340 -0.000 0.000 0.215 96 L C 1.290 178.191 176.870 0.052 0.000 1.108 96 L CA 0.398 55.274 54.840 0.059 0.000 0.830 96 L CB 0.101 42.199 42.059 0.064 0.000 0.959 96 L HN 0.071 nan 8.230 nan 0.000 0.457 97 S N -1.106 114.621 115.700 0.044 0.000 2.572 97 S HA 0.092 4.561 4.470 -0.000 0.000 0.228 97 S C 0.021 174.643 174.600 0.036 0.000 0.963 97 S CA -0.250 57.974 58.200 0.040 0.000 0.939 97 S CB 0.186 63.411 63.200 0.041 0.000 0.804 97 S HN 0.292 nan 8.310 nan 0.000 0.480 98 Q N 0.611 120.433 119.800 0.037 0.000 2.457 98 Q HA -0.144 4.196 4.340 -0.000 0.000 0.333 98 Q C -1.024 174.991 176.000 0.025 0.000 1.448 98 Q CA 0.709 56.533 55.803 0.035 0.000 0.891 98 Q CB -1.405 27.358 28.738 0.041 0.000 1.142 98 Q HN 0.540 nan 8.270 nan 0.000 0.375 99 I N 1.594 122.173 120.570 0.014 0.000 2.389 99 I HA 0.323 4.493 4.170 -0.000 0.000 0.288 99 I C -1.958 174.152 176.117 -0.011 0.000 0.999 99 I CA -2.359 58.941 61.300 0.001 0.000 1.129 99 I CB 1.776 39.772 38.000 -0.007 0.000 1.288 99 I HN -0.027 nan 8.210 nan 0.000 0.444 100 P HA 0.196 nan 4.420 nan 0.000 0.252 100 P C -0.740 176.541 177.300 -0.032 0.000 1.727 100 P CA 0.092 63.184 63.100 -0.014 0.000 1.134 100 P CB -0.100 31.594 31.700 -0.009 0.000 1.876 101 L N 3.754 124.950 121.223 -0.044 0.000 2.325 101 L HA 0.459 4.799 4.340 -0.000 0.000 0.279 101 L C 0.757 177.605 176.870 -0.037 0.000 1.054 101 L CA -0.985 53.814 54.840 -0.068 0.000 0.804 101 L CB 1.288 43.270 42.059 -0.127 0.000 1.200 101 L HN 0.123 nan 8.230 nan 0.000 0.436 102 I N 4.259 124.813 120.570 -0.027 0.000 2.412 102 I HA 0.157 4.327 4.170 -0.000 0.000 0.279 102 I C 0.032 176.179 176.117 0.051 0.000 1.063 102 I CA -0.377 60.943 61.300 0.033 0.000 1.193 102 I CB 1.251 39.274 38.000 0.037 0.000 1.370 102 I HN 0.229 nan 8.210 nan 0.000 0.479 103 V N 8.192 128.149 119.914 0.072 0.000 2.408 103 V HA 0.432 4.552 4.120 -0.000 0.000 0.267 103 V C -0.325 175.970 176.094 0.335 0.000 1.047 103 V CA -0.175 62.179 62.300 0.090 0.000 0.937 103 V CB 0.993 32.762 31.823 -0.090 0.000 0.999 103 V HN 0.498 nan 8.190 nan 0.000 0.472 104 L N 6.984 128.402 121.223 0.324 0.000 2.305 104 L HA 0.613 4.953 4.340 -0.000 0.000 0.284 104 L C 0.147 177.271 176.870 0.422 0.000 1.013 104 L CA -0.475 54.603 54.840 0.396 0.000 0.819 104 L CB 1.949 44.181 42.059 0.288 0.000 1.227 104 L HN 0.789 nan 8.230 nan 0.000 0.417 105 T N -0.084 114.757 114.554 0.480 0.000 2.786 105 T HA 0.719 5.069 4.350 -0.000 0.000 0.283 105 T C 0.036 174.926 174.700 0.315 0.000 0.992 105 T CA -0.706 61.636 62.100 0.402 0.000 0.954 105 T CB 1.763 70.918 68.868 0.478 0.000 0.934 105 T HN 0.618 nan 8.240 nan 0.000 0.440 106 A N 2.904 125.854 122.820 0.216 0.000 2.425 106 A HA 0.578 4.898 4.320 -0.000 0.000 0.242 106 A C 0.137 177.806 177.584 0.142 0.000 1.077 106 A CA -0.238 51.902 52.037 0.172 0.000 0.781 106 A CB 0.139 19.204 19.000 0.108 0.000 1.020 106 A HN 0.931 nan 8.150 nan 0.000 0.494 107 D N -0.377 120.098 120.400 0.125 0.000 2.596 107 D HA 0.382 5.021 4.640 -0.000 0.000 0.234 107 D C -0.474 175.857 176.300 0.052 0.000 1.181 107 D CA -0.607 53.437 54.000 0.074 0.000 0.856 107 D CB 1.153 41.986 40.800 0.056 0.000 1.498 107 D HN 0.372 nan 8.370 nan 0.000 0.446 108 R N 1.569 122.084 120.500 0.024 0.000 2.694 108 R HA 0.328 4.668 4.340 -0.000 0.000 0.268 108 R C -1.924 174.379 176.300 0.005 0.000 1.061 108 R CA -1.124 54.987 56.100 0.019 0.000 1.133 108 R CB -0.084 30.221 30.300 0.008 0.000 1.020 108 R HN 0.409 nan 8.270 nan 0.000 0.475 109 P HA 0.063 nan 4.420 nan 0.000 0.275 109 P C 0.524 177.852 177.300 0.046 0.000 1.266 109 P CA -0.244 62.894 63.100 0.062 0.000 0.793 109 P CB 0.431 32.191 31.700 0.100 0.000 1.074 110 H N 0.517 119.590 119.070 0.005 0.000 2.390 110 H HA -0.162 4.394 4.556 -0.000 0.000 0.298 110 H C 1.764 177.095 175.328 0.003 0.000 1.106 110 H CA 1.797 57.846 56.048 0.002 0.000 1.297 110 H CB -0.055 29.703 29.762 -0.005 0.000 1.375 110 H HN 0.601 nan 8.280 nan 0.000 0.509 111 E N 1.421 121.698 120.200 0.129 0.000 2.347 111 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 111 E C 1.348 177.973 176.600 0.041 0.000 1.008 111 E CA 0.635 57.076 56.400 0.069 0.000 0.852 111 E CB -0.211 29.520 29.700 0.051 0.000 0.783 111 E HN 0.468 nan 8.360 nan 0.000 0.505 112 L N 0.763 122.008 121.223 0.035 0.000 3.066 112 L HA 0.327 4.667 4.340 -0.000 0.000 0.265 112 L C 0.494 177.366 176.870 0.004 0.000 1.232 112 L CA -0.337 54.514 54.840 0.018 0.000 1.031 112 L CB 0.369 42.439 42.059 0.018 0.000 1.379 112 L HN -0.182 nan 8.230 nan 0.000 0.563 113 R N 1.359 121.858 120.500 -0.003 0.000 2.265 113 R HA 0.270 4.610 4.340 -0.000 0.000 0.319 113 R C -0.114 176.179 176.300 -0.012 0.000 1.006 113 R CA -0.595 55.491 56.100 -0.024 0.000 0.880 113 R CB 0.721 30.982 30.300 -0.064 0.000 1.077 113 R HN 0.153 nan 8.270 nan 0.000 0.454 114 N N 1.480 120.171 118.700 -0.015 0.000 2.696 114 N HA -0.165 4.575 4.740 -0.000 0.000 0.256 114 N C -0.208 175.300 175.510 -0.003 0.000 1.031 114 N CA 0.726 53.769 53.050 -0.010 0.000 0.730 114 N CB -0.559 37.921 38.487 -0.011 0.000 0.894 114 N HN 0.406 nan 8.380 nan 0.000 0.544 115 V N -1.468 118.445 119.914 -0.002 0.000 3.400 115 V HA 0.361 4.481 4.120 -0.000 0.000 0.281 115 V C 1.299 177.394 176.094 0.001 0.000 1.617 115 V CA 1.136 63.437 62.300 0.002 0.000 1.044 115 V CB 0.284 32.111 31.823 0.006 0.000 0.858 115 V HN 0.753 nan 8.190 nan 0.000 0.425 116 G N 1.098 109.897 108.800 -0.001 0.000 2.131 116 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.223 116 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.223 116 G C 0.283 175.183 174.900 -0.000 0.000 0.990 116 G CA 0.308 45.408 45.100 -0.001 0.000 0.671 116 G HN 1.465 nan 8.290 nan 0.000 0.521 117 A N 0.751 123.571 122.820 0.000 0.000 2.407 117 A HA 0.709 5.029 4.320 -0.000 0.000 0.248 117 A C -0.852 176.733 177.584 0.001 0.000 1.082 117 A CA -0.515 51.523 52.037 0.002 0.000 0.785 117 A CB 0.272 19.274 19.000 0.004 0.000 1.020 117 A HN 0.325 nan 8.150 nan 0.000 0.489 118 P HA 0.114 nan 4.420 nan 0.000 0.271 118 P C -0.511 176.791 177.300 0.003 0.000 1.218 118 P CA -0.022 63.079 63.100 0.002 0.000 0.780 118 P CB 0.512 32.215 31.700 0.004 0.000 0.901 119 Q N -1.367 118.433 119.800 0.001 0.000 2.453 119 Q HA -0.177 4.163 4.340 -0.000 0.000 0.294 119 Q C -0.597 175.403 176.000 -0.001 0.000 1.295 119 Q CA 0.874 56.678 55.803 0.001 0.000 0.853 119 Q CB -1.711 27.030 28.738 0.005 0.000 1.193 119 Q HN 0.718 nan 8.270 nan 0.000 0.461 120 A N 0.886 123.704 122.820 -0.005 0.000 2.398 120 A HA 0.845 5.165 4.320 -0.000 0.000 0.301 120 A C -0.286 177.288 177.584 -0.016 0.000 1.041 120 A CA -0.570 51.463 52.037 -0.008 0.000 0.711 120 A CB 1.292 20.289 19.000 -0.005 0.000 1.240 120 A HN 0.357 nan 8.150 nan 0.000 0.420 121 M N 0.591 120.177 119.600 -0.024 0.000 2.618 121 M HA 0.642 5.122 4.480 -0.000 0.000 0.281 121 M C -1.332 174.941 176.300 -0.045 0.000 1.267 121 M CA -0.669 54.610 55.300 -0.036 0.000 0.845 121 M CB 1.705 34.278 32.600 -0.046 0.000 1.732 121 M HN 0.480 nan 8.290 nan 0.000 0.461 122 D N 1.373 121.740 120.400 -0.054 0.000 2.382 122 D HA 0.123 4.763 4.640 -0.000 0.000 0.259 122 D C -0.088 176.157 176.300 -0.091 0.000 1.224 122 D CA 0.693 54.655 54.000 -0.064 0.000 0.894 122 D CB 0.810 41.575 40.800 -0.060 0.000 1.127 122 D HN 0.717 nan 8.370 nan 0.000 0.487 123 Q N 2.523 122.280 119.800 -0.073 0.000 2.217 123 Q HA 0.221 4.560 4.340 -0.000 0.000 0.217 123 Q C -0.050 175.899 176.000 -0.085 0.000 0.844 123 Q CA -0.281 55.480 55.803 -0.069 0.000 0.957 123 Q CB 0.566 29.318 28.738 0.023 0.000 1.127 123 Q HN 0.497 nan 8.270 nan 0.000 0.503 124 L N 2.272 123.406 121.223 -0.149 0.000 2.462 124 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 124 L C 0.063 176.559 176.870 -0.623 0.000 1.166 124 L CA -0.119 54.489 54.840 -0.388 0.000 0.880 124 L CB 0.014 41.980 42.059 -0.155 0.000 1.142 124 L HN 0.411 nan 8.230 nan 0.000 0.473 125 H N 2.421 120.668 119.070 -1.372 0.000 2.655 125 H HA -0.208 4.348 4.556 -0.000 0.000 0.313 125 H C 1.230 176.277 175.328 -0.468 0.000 1.141 125 H CA 0.421 55.955 56.048 -0.857 0.000 1.138 125 H CB -0.702 28.768 29.762 -0.486 0.000 1.446 125 H HN 0.655 nan 8.280 nan 0.000 0.415 126 L N -0.633 120.324 121.223 -0.443 0.000 2.079 126 L HA -0.228 4.111 4.340 -0.000 0.000 0.210 126 L C 1.375 177.769 176.870 -0.793 0.000 1.081 126 L CA 1.983 56.430 54.840 -0.655 0.000 0.752 126 L CB -0.171 41.302 42.059 -0.976 0.000 0.896 126 L HN 0.331 nan 8.230 nan 0.000 0.433 127 Y N -0.981 119.186 120.300 -0.222 0.000 2.524 127 Y HA 0.320 4.870 4.550 -0.000 0.000 0.266 127 Y C 1.649 177.651 175.900 0.169 0.000 1.180 127 Y CA 0.093 58.092 58.100 -0.169 0.000 1.244 127 Y CB -0.475 38.012 38.460 0.045 0.000 1.125 127 Y HN 0.259 nan 8.280 nan 0.000 0.524 128 G N 1.392 110.291 108.800 0.166 0.000 2.665 128 G HA2 -0.455 3.505 3.960 -0.000 0.000 0.326 128 G HA3 -0.455 3.505 3.960 -0.000 0.000 0.326 128 G C 1.525 176.557 174.900 0.220 0.000 1.231 128 G CA 1.425 46.635 45.100 0.182 0.000 0.992 128 G HN 0.633 nan 8.290 nan 0.000 0.549 129 S N -0.204 115.598 115.700 0.170 0.000 2.593 129 S HA 0.150 4.620 4.470 -0.000 0.000 0.217 129 S C 1.423 176.021 174.600 -0.003 0.000 0.966 129 S CA 1.106 59.329 58.200 0.039 0.000 0.914 129 S CB -0.250 62.908 63.200 -0.070 0.000 0.776 129 S HN 0.718 nan 8.310 nan 0.000 0.523 130 H N 1.253 120.460 119.070 0.227 0.000 2.539 130 H HA 0.280 4.836 4.556 -0.000 0.000 0.267 130 H C 0.771 176.205 175.328 0.176 0.000 0.982 130 H CA 0.532 56.703 56.048 0.205 0.000 1.146 130 H CB 0.243 30.173 29.762 0.280 0.000 1.382 130 H HN 0.495 nan 8.280 nan 0.000 0.577 131 V N -1.972 118.115 119.914 0.289 0.000 2.815 131 V HA 0.259 4.379 4.120 -0.000 0.000 0.314 131 V C 0.939 177.143 176.094 0.185 0.000 1.064 131 V CA -1.105 61.335 62.300 0.234 0.000 0.952 131 V CB 2.818 34.832 31.823 0.319 0.000 1.020 131 V HN -0.119 nan 8.190 nan 0.000 0.439 132 K N 0.637 121.123 120.400 0.144 0.000 2.155 132 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 132 K C 0.029 176.710 176.600 0.136 0.000 1.052 132 K CA 1.758 58.113 56.287 0.114 0.000 0.948 132 K CB 0.088 32.636 32.500 0.079 0.000 0.728 132 K HN 0.964 nan 8.250 nan 0.000 0.448 133 D N -1.423 119.081 120.400 0.174 0.000 2.837 133 D HA 0.208 4.848 4.640 -0.000 0.000 0.220 133 D C -1.936 174.523 176.300 0.264 0.000 1.236 133 D CA -0.710 53.401 54.000 0.186 0.000 0.838 133 D CB 1.138 42.003 40.800 0.108 0.000 1.647 133 D HN -0.153 nan 8.370 nan 0.000 0.486 134 F N 2.252 122.266 119.950 0.106 0.000 2.495 134 F HA 0.711 5.238 4.527 -0.000 0.000 0.327 134 F C -1.163 174.589 175.800 -0.080 0.000 1.103 134 F CA -0.168 57.840 58.000 0.012 0.000 0.949 134 F CB 2.236 41.226 39.000 -0.017 0.000 1.142 134 F HN 0.224 nan 8.300 nan 0.000 0.457 135 T N 4.613 118.448 114.554 -1.199 0.000 2.881 135 T HA 0.195 4.545 4.350 -0.000 0.000 0.291 135 T C -1.636 172.191 174.700 -1.454 0.000 0.990 135 T CA -0.560 60.888 62.100 -1.086 0.000 0.976 135 T CB 1.168 69.670 68.868 -0.609 0.000 0.970 135 T HN 0.531 nan 8.240 nan 0.000 0.438 136 D N 3.779 123.507 120.400 -1.120 0.000 2.347 136 D HA 0.291 4.931 4.640 -0.000 0.000 0.235 136 D C 0.339 176.385 176.300 -0.425 0.000 1.149 136 D CA -0.513 53.115 54.000 -0.621 0.000 0.850 136 D CB 0.492 41.162 40.800 -0.217 0.000 1.061 136 D HN 0.179 nan 8.370 nan 0.000 0.487 137 M N 2.083 121.376 119.600 -0.512 0.000 2.226 137 M HA 0.295 4.775 4.480 -0.000 0.000 0.324 137 M C 0.627 176.889 176.300 -0.064 0.000 1.112 137 M CA -0.534 54.543 55.300 -0.371 0.000 1.176 137 M CB 0.478 32.629 32.600 -0.748 0.000 1.430 137 M HN 0.467 nan 8.290 nan 0.000 0.462 138 A N 2.343 125.241 122.820 0.129 0.000 2.425 138 A HA 0.362 4.682 4.320 -0.000 0.000 0.242 138 A C 0.064 177.635 177.584 -0.022 0.000 1.077 138 A CA -0.477 51.576 52.037 0.026 0.000 0.781 138 A CB -0.038 18.887 19.000 -0.125 0.000 1.020 138 A HN 0.824 nan 8.150 nan 0.000 0.494 139 L N 1.962 123.140 121.223 -0.076 0.000 2.485 139 L HA 0.129 4.469 4.340 -0.000 0.000 0.275 139 L C -1.824 174.774 176.870 -0.454 0.000 1.207 139 L CA -1.233 53.517 54.840 -0.150 0.000 0.855 139 L CB 0.135 42.143 42.059 -0.085 0.000 1.114 139 L HN 0.471 nan 8.230 nan 0.000 0.485 140 P HA 0.031 nan 4.420 nan 0.000 0.261 140 P C -1.034 175.907 177.300 -0.599 0.000 1.183 140 P CA 0.475 62.945 63.100 -1.050 0.000 0.761 140 P CB 0.432 31.862 31.700 -0.450 0.000 0.785 141 E N 2.170 122.061 120.200 -0.514 0.000 2.393 141 E HA 0.264 4.613 4.350 -0.000 0.000 0.273 141 E C -0.053 176.568 176.600 0.035 0.000 0.918 141 E CA -0.702 55.593 56.400 -0.174 0.000 0.773 141 E CB 1.369 30.985 29.700 -0.141 0.000 1.275 141 E HN 0.374 nan 8.360 nan 0.000 0.451 142 N N -0.346 118.372 118.700 0.030 0.000 2.299 142 N HA 0.010 4.750 4.740 -0.000 0.000 0.246 142 N C -0.516 175.031 175.510 0.061 0.000 1.254 142 N CA -0.327 52.774 53.050 0.084 0.000 0.879 142 N CB 0.313 38.839 38.487 0.065 0.000 1.214 142 N HN 0.298 nan 8.380 nan 0.000 0.510 143 S N -0.611 115.115 115.700 0.042 0.000 2.589 143 S HA 0.124 4.594 4.470 -0.000 0.000 0.265 143 S C 1.170 175.801 174.600 0.052 0.000 1.342 143 S CA -0.348 57.869 58.200 0.029 0.000 1.005 143 S CB 1.526 64.728 63.200 0.003 0.000 0.909 143 S HN 0.204 nan 8.310 nan 0.000 0.555 144 E N 0.685 120.908 120.200 0.037 0.000 2.086 144 E HA -0.214 4.136 4.350 -0.000 0.000 0.200 144 E C 1.971 178.604 176.600 0.055 0.000 1.012 144 E CA 1.920 58.346 56.400 0.043 0.000 0.812 144 E CB -0.189 29.526 29.700 0.025 0.000 0.743 144 E HN 0.742 nan 8.360 nan 0.000 0.453 145 E N -0.616 119.606 120.200 0.037 0.000 2.038 145 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 145 E C 1.951 178.608 176.600 0.095 0.000 1.000 145 E CA 1.472 57.893 56.400 0.035 0.000 0.803 145 E CB -0.143 29.553 29.700 -0.006 0.000 0.750 145 E HN 0.267 nan 8.360 nan 0.000 0.448 146 M N -0.050 119.613 119.600 0.105 0.000 2.419 146 M HA -0.040 4.440 4.480 -0.000 0.000 0.264 146 M C 1.819 178.327 176.300 0.347 0.000 1.082 146 M CA 0.471 55.891 55.300 0.200 0.000 1.119 146 M CB 0.034 32.704 32.600 0.118 0.000 1.398 146 M HN 0.011 nan 8.290 nan 0.000 0.453 147 L N -0.819 120.547 121.223 0.239 0.000 2.179 147 L HA 0.001 4.341 4.340 -0.000 0.000 0.208 147 L C 2.371 179.360 176.870 0.198 0.000 1.096 147 L CA 1.542 56.513 54.840 0.218 0.000 0.779 147 L CB -0.570 41.582 42.059 0.154 0.000 0.922 147 L HN 0.226 nan 8.230 nan 0.000 0.443 148 R N -1.986 118.624 120.500 0.183 0.000 2.090 148 R HA -0.209 4.131 4.340 -0.000 0.000 0.228 148 R C 2.322 178.763 176.300 0.234 0.000 1.110 148 R CA 1.382 57.583 56.100 0.167 0.000 0.973 148 R CB -0.347 30.016 30.300 0.104 0.000 0.869 148 R HN 0.403 nan 8.270 nan 0.000 0.440 149 Y N 0.469 120.848 120.300 0.132 0.000 2.165 149 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 149 Y C 2.005 178.105 175.900 0.333 0.000 1.155 149 Y CA 1.730 59.952 58.100 0.203 0.000 1.164 149 Y CB -0.302 38.266 38.460 0.179 0.000 0.978 149 Y HN 0.089 nan 8.280 nan 0.000 0.513 150 A N 0.478 123.437 122.820 0.231 0.000 1.898 150 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 150 A C 2.231 179.931 177.584 0.193 0.000 1.181 150 A CA 1.688 53.760 52.037 0.059 0.000 0.620 150 A CB -0.528 18.404 19.000 -0.113 0.000 0.819 150 A HN 0.518 nan 8.150 nan 0.000 0.442 151 K N -1.827 118.680 120.400 0.178 0.000 2.026 151 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 151 K C 1.827 178.508 176.600 0.134 0.000 1.048 151 K CA 1.566 57.937 56.287 0.139 0.000 0.929 151 K CB -0.299 32.279 32.500 0.130 0.000 0.713 151 K HN 0.678 nan 8.250 nan 0.000 0.439 152 W N 1.757 123.035 121.300 -0.037 0.000 2.335 152 W HA -0.234 4.426 4.660 -0.000 0.000 0.311 152 W C 2.072 178.494 176.519 -0.161 0.000 1.213 152 W CA 1.615 58.890 57.345 -0.117 0.000 1.274 152 W CB -0.254 29.107 29.460 -0.166 0.000 1.148 152 W HN 0.225 nan 8.180 nan 0.000 0.498 153 H N -1.043 118.063 119.070 0.061 0.000 2.457 153 H HA -0.025 4.531 4.556 -0.000 0.000 0.294 153 H C 2.269 177.607 175.328 0.017 0.000 1.064 153 H CA 1.571 57.585 56.048 -0.056 0.000 1.330 153 H CB -0.913 28.788 29.762 -0.102 0.000 1.395 153 H HN 0.351 nan 8.280 nan 0.000 0.541 154 G N -0.048 108.821 108.800 0.116 0.000 2.404 154 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.215 154 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.215 154 G C 1.929 176.684 174.900 -0.242 0.000 1.174 154 G CA 0.920 45.856 45.100 -0.273 0.000 0.780 154 G HN 0.320 nan 8.290 nan 0.000 0.537 155 S N -0.085 115.482 115.700 -0.221 0.000 2.383 155 S HA -0.036 4.434 4.470 -0.000 0.000 0.227 155 S C 2.191 176.617 174.600 -0.289 0.000 1.026 155 S CA 0.954 59.011 58.200 -0.238 0.000 0.981 155 S CB -0.134 62.930 63.200 -0.228 0.000 0.818 155 S HN 0.430 nan 8.310 nan 0.000 0.472 156 R N 1.365 121.618 120.500 -0.411 0.000 2.075 156 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 156 R C 2.438 178.603 176.300 -0.225 0.000 1.126 156 R CA 1.215 57.045 56.100 -0.450 0.000 0.963 156 R CB -0.504 29.337 30.300 -0.764 0.000 0.858 156 R HN 0.377 nan 8.270 nan 0.000 0.435 157 A N 0.313 123.058 122.820 -0.126 0.000 1.865 157 A HA -0.150 4.169 4.320 -0.000 0.000 0.217 157 A C 2.248 179.797 177.584 -0.057 0.000 1.191 157 A CA 1.927 53.943 52.037 -0.035 0.000 0.623 157 A CB -0.709 18.327 19.000 0.060 0.000 0.826 157 A HN 0.237 nan 8.150 nan 0.000 0.444 158 V N 0.335 120.191 119.914 -0.097 0.000 2.358 158 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 158 V C 2.312 178.356 176.094 -0.083 0.000 1.047 158 V CA 2.392 64.638 62.300 -0.090 0.000 1.035 158 V CB -0.891 30.861 31.823 -0.117 0.000 0.658 158 V HN 0.723 nan 8.190 nan 0.000 0.452 159 D N 0.283 120.616 120.400 -0.112 0.000 2.097 159 D HA -0.162 4.478 4.640 -0.000 0.000 0.195 159 D C 1.982 178.238 176.300 -0.074 0.000 0.989 159 D CA 1.540 55.478 54.000 -0.104 0.000 0.827 159 D CB -0.159 40.555 40.800 -0.145 0.000 0.966 159 D HN 0.417 nan 8.370 nan 0.000 0.456 160 I N 0.457 120.982 120.570 -0.075 0.000 2.179 160 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 160 I C 2.491 178.600 176.117 -0.014 0.000 1.088 160 I CA 1.118 62.394 61.300 -0.040 0.000 1.357 160 I CB -0.390 37.591 38.000 -0.031 0.000 1.051 160 I HN 0.068 nan 8.210 nan 0.000 0.409 161 A N 0.403 123.215 122.820 -0.014 0.000 1.933 161 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 161 A C 2.257 179.840 177.584 -0.001 0.000 1.175 161 A CA 1.529 53.565 52.037 -0.002 0.000 0.628 161 A CB -0.330 18.666 19.000 -0.006 0.000 0.814 161 A HN 0.327 nan 8.150 nan 0.000 0.444 162 M N -0.687 118.907 119.600 -0.010 0.000 2.509 162 M HA 0.143 4.623 4.480 -0.000 0.000 0.250 162 M C 0.628 176.938 176.300 0.016 0.000 1.132 162 M CA 0.475 55.777 55.300 0.004 0.000 1.080 162 M CB -0.485 32.113 32.600 -0.004 0.000 1.408 162 M HN 0.094 nan 8.290 nan 0.000 0.484 163 K N 2.915 123.318 120.400 0.005 0.000 2.368 163 K HA 0.091 4.410 4.320 -0.000 0.000 0.282 163 K C -0.143 176.472 176.600 0.025 0.000 1.035 163 K CA 0.180 56.475 56.287 0.013 0.000 0.973 163 K CB 0.789 33.286 32.500 -0.004 0.000 0.957 163 K HN 0.275 nan 8.250 nan 0.000 0.474 164 T N 2.592 117.168 114.554 0.037 0.000 2.870 164 T HA 0.271 4.621 4.350 -0.000 0.000 0.300 164 T C -2.153 172.567 174.700 0.034 0.000 0.989 164 T CA -1.442 60.684 62.100 0.043 0.000 1.139 164 T CB 0.715 69.618 68.868 0.058 0.000 0.920 164 T HN 0.349 nan 8.240 nan 0.000 0.537 165 P HA 0.271 nan 4.420 nan 0.000 0.282 165 P C 0.022 177.345 177.300 0.039 0.000 1.262 165 P CA -0.603 62.523 63.100 0.043 0.000 0.773 165 P CB 0.720 32.449 31.700 0.048 0.000 0.879 166 R N 1.390 121.913 120.500 0.039 0.000 2.774 166 R HA 0.630 4.970 4.340 -0.000 0.000 0.269 166 R C 0.832 177.151 176.300 0.032 0.000 1.068 166 R CA 0.327 56.446 56.100 0.031 0.000 1.180 166 R CB 0.222 30.540 30.300 0.029 0.000 1.077 166 R HN 0.781 nan 8.270 nan 0.000 0.513 167 G N 0.676 109.491 108.800 0.026 0.000 2.328 167 G HA2 0.180 4.140 3.960 -0.000 0.000 0.295 167 G HA3 0.180 4.140 3.960 -0.000 0.000 0.295 167 G C -3.065 171.849 174.900 0.024 0.000 1.413 167 G CA -0.994 44.123 45.100 0.028 0.000 0.817 167 G HN 0.345 nan 8.290 nan 0.000 0.546 168 P HA 0.464 nan 4.420 nan 0.000 0.275 168 P C -0.038 177.304 177.300 0.071 0.000 1.228 168 P CA -0.209 62.900 63.100 0.014 0.000 0.786 168 P CB 1.596 33.278 31.700 -0.030 0.000 0.927 169 V N -0.182 119.784 119.914 0.087 0.000 2.735 169 V HA 0.531 4.651 4.120 -0.000 0.000 0.310 169 V C -0.620 175.617 176.094 0.238 0.000 1.061 169 V CA -0.773 61.617 62.300 0.150 0.000 0.913 169 V CB 1.890 33.773 31.823 0.100 0.000 1.005 169 V HN 0.710 nan 8.190 nan 0.000 0.428 170 H N 4.206 123.395 119.070 0.199 0.000 2.505 170 H HA 0.752 5.308 4.556 -0.000 0.000 0.338 170 H C -1.974 173.444 175.328 0.149 0.000 1.057 170 H CA -0.944 55.272 56.048 0.279 0.000 1.202 170 H CB 1.879 31.958 29.762 0.529 0.000 1.466 170 H HN 0.644 nan 8.280 nan 0.000 0.499 171 L N 4.797 126.007 121.223 -0.021 0.000 2.376 171 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 171 L C -0.291 176.420 176.870 -0.265 0.000 0.987 171 L CA -0.550 54.107 54.840 -0.305 0.000 0.828 171 L CB 1.589 43.585 42.059 -0.106 0.000 1.249 171 L HN 0.599 nan 8.230 nan 0.000 0.409 172 N N 2.158 120.535 118.700 -0.538 0.000 2.408 172 N HA 0.557 5.297 4.740 -0.000 0.000 0.280 172 N C -1.548 173.784 175.510 -0.297 0.000 1.002 172 N CA -0.195 52.728 53.050 -0.212 0.000 0.907 172 N CB 0.779 39.194 38.487 -0.120 0.000 1.161 172 N HN 0.283 nan 8.380 nan 0.000 0.488 173 F N 4.722 124.638 119.950 -0.056 0.000 2.311 173 F HA 0.392 4.919 4.527 -0.000 0.000 0.371 173 F C -1.827 173.974 175.800 0.002 0.000 1.083 173 F CA -2.009 55.970 58.000 -0.034 0.000 1.113 173 F CB 1.688 40.674 39.000 -0.024 0.000 1.349 173 F HN 0.338 nan 8.300 nan 0.000 0.470 174 P HA 0.163 nan 4.420 nan 0.000 0.271 174 P C -0.831 176.544 177.300 0.124 0.000 1.233 174 P CA 0.195 63.340 63.100 0.074 0.000 0.764 174 P CB 1.035 32.740 31.700 0.009 0.000 0.825 175 L N 3.895 125.186 121.223 0.114 0.000 2.376 175 L HA 0.510 4.850 4.340 -0.000 0.000 0.275 175 L C 0.736 177.659 176.870 0.088 0.000 0.987 175 L CA -0.768 54.138 54.840 0.110 0.000 0.828 175 L CB 2.495 44.625 42.059 0.117 0.000 1.249 175 L HN 0.275 nan 8.230 nan 0.000 0.409 176 R N 2.431 122.987 120.500 0.094 0.000 2.368 176 R HA 0.320 4.660 4.340 -0.000 0.000 0.302 176 R C -0.352 176.007 176.300 0.098 0.000 1.002 176 R CA -0.540 55.619 56.100 0.099 0.000 0.929 176 R CB 1.140 31.520 30.300 0.134 0.000 1.073 176 R HN 0.574 nan 8.270 nan 0.000 0.464 177 E N 4.224 124.459 120.200 0.058 0.000 2.398 177 E HA 0.108 4.458 4.350 -0.000 0.000 0.263 177 E C -1.899 174.698 176.600 -0.006 0.000 1.046 177 E CA -1.447 54.973 56.400 0.032 0.000 0.908 177 E CB 0.602 30.310 29.700 0.014 0.000 0.963 177 E HN 0.469 nan 8.360 nan 0.000 0.431 178 P HA 0.101 nan 4.420 nan 0.000 0.278 178 P C -0.562 176.769 177.300 0.052 0.000 1.238 178 P CA -0.036 63.075 63.100 0.017 0.000 0.794 178 P CB 0.622 32.323 31.700 0.002 0.000 0.955 179 L N 1.804 123.055 121.223 0.047 0.000 3.084 179 L HA 0.258 4.598 4.340 -0.000 0.000 0.238 179 L C -0.139 176.761 176.870 0.051 0.000 1.327 179 L CA -0.440 54.434 54.840 0.057 0.000 1.094 179 L CB 0.382 42.472 42.059 0.052 0.000 1.477 179 L HN 0.038 nan 8.230 nan 0.000 0.514 180 V N 1.827 121.771 119.914 0.049 0.000 2.311 180 V HA 0.347 4.467 4.120 -0.000 0.000 0.275 180 V C -1.908 174.213 176.094 0.045 0.000 1.022 180 V CA -1.462 60.864 62.300 0.042 0.000 0.830 180 V CB 1.086 32.929 31.823 0.033 0.000 1.012 180 V HN 0.181 nan 8.190 nan 0.000 0.452 181 P HA 0.396 nan 4.420 nan 0.000 0.278 181 P C -0.493 176.822 177.300 0.026 0.000 1.238 181 P CA -0.372 62.752 63.100 0.040 0.000 0.794 181 P CB 1.327 33.055 31.700 0.047 0.000 0.955 182 I N 2.815 123.393 120.570 0.013 0.000 2.337 182 I HA 0.106 4.276 4.170 -0.000 0.000 0.291 182 I C 1.500 177.609 176.117 -0.013 0.000 1.046 182 I CA -0.117 61.184 61.300 0.002 0.000 1.324 182 I CB 0.356 38.355 38.000 -0.002 0.000 1.409 182 I HN 0.210 nan 8.210 nan 0.000 0.494 183 L N 5.329 126.550 121.223 -0.003 0.000 2.515 183 L HA 0.174 4.514 4.340 -0.000 0.000 0.223 183 L C 0.637 177.502 176.870 -0.010 0.000 1.079 183 L CA 0.195 55.033 54.840 -0.003 0.000 0.857 183 L CB -0.078 41.994 42.059 0.023 0.000 1.050 183 L HN 0.606 nan 8.230 nan 0.000 0.476 184 E N 1.811 122.006 120.200 -0.008 0.000 2.165 184 E HA 0.410 4.759 4.350 -0.000 0.000 0.266 184 E C -2.595 173.997 176.600 -0.014 0.000 0.889 184 E CA -2.031 54.364 56.400 -0.009 0.000 0.756 184 E CB 1.223 30.923 29.700 -0.000 0.000 1.131 184 E HN -0.043 nan 8.360 nan 0.000 0.411 185 P HA 0.055 nan 4.420 nan 0.000 0.274 185 P C -0.020 177.252 177.300 -0.046 0.000 1.246 185 P CA -0.516 62.569 63.100 -0.025 0.000 0.795 185 P CB 0.784 32.469 31.700 -0.024 0.000 1.006 186 S N 0.906 116.581 115.700 -0.041 0.000 2.537 186 S HA 0.105 4.575 4.470 -0.000 0.000 0.286 186 S C -1.438 173.061 174.600 -0.168 0.000 1.299 186 S CA -0.957 57.203 58.200 -0.066 0.000 1.067 186 S CB -0.303 62.898 63.200 0.002 0.000 0.864 186 S HN 0.246 nan 8.310 nan 0.000 0.494 187 P HA 0.110 nan 4.420 nan 0.000 0.237 187 P C -0.492 176.410 177.300 -0.664 0.000 1.178 187 P CA 0.712 63.469 63.100 -0.572 0.000 0.766 187 P CB 0.023 31.233 31.700 -0.816 0.000 0.876 188 F N -0.157 119.778 119.950 -0.026 0.000 2.532 188 F HA 0.251 4.777 4.527 -0.000 0.000 0.313 188 F C 1.137 176.885 175.800 -0.087 0.000 1.301 188 F CA -1.042 56.914 58.000 -0.073 0.000 1.154 188 F CB -0.997 37.887 39.000 -0.194 0.000 1.335 188 F HN -0.275 nan 8.300 nan 0.000 0.542 202 Y N 1.837 122.199 120.300 0.103 0.000 2.328 202 Y HA 0.652 5.202 4.550 -0.000 0.000 0.337 202 Y C 0.410 176.366 175.900 0.093 0.000 1.008 202 Y CA -0.911 57.236 58.100 0.079 0.000 1.129 202 Y CB 1.895 40.385 38.460 0.051 0.000 1.185 202 Y HN 0.466 nan 8.280 nan 0.000 0.476 203 T N 0.568 115.249 114.554 0.210 0.000 2.876 203 T HA 0.586 4.936 4.350 -0.000 0.000 0.289 203 T C -1.041 173.735 174.700 0.125 0.000 1.014 203 T CA -0.902 61.256 62.100 0.097 0.000 0.986 203 T CB 1.683 70.557 68.868 0.010 0.000 1.021 203 T HN 0.765 nan 8.240 nan 0.000 0.458 204 H N 0.298 119.374 119.070 0.010 0.000 2.865 204 H HA 0.597 5.153 4.556 -0.000 0.000 0.372 204 H C -1.231 174.050 175.328 -0.079 0.000 1.173 204 H CA -0.934 55.104 56.048 -0.017 0.000 1.147 204 H CB 1.594 31.347 29.762 -0.015 0.000 1.805 204 H HN 0.703 nan 8.280 nan 0.000 0.553 205 E N 1.124 121.329 120.200 0.009 0.000 2.249 205 E HA 0.447 4.797 4.350 -0.000 0.000 0.280 205 E C -0.822 175.679 176.600 -0.165 0.000 1.016 205 E CA -0.946 55.411 56.400 -0.072 0.000 0.830 205 E CB 2.508 32.220 29.700 0.020 0.000 1.081 205 E HN 0.214 nan 8.360 nan 0.000 0.395 206 V N 4.420 124.174 119.914 -0.267 0.000 2.588 206 V HA 0.253 4.373 4.120 -0.000 0.000 0.304 206 V C -0.192 175.846 176.094 -0.095 0.000 1.042 206 V CA -0.713 61.285 62.300 -0.505 0.000 0.877 206 V CB 1.610 33.045 31.823 -0.646 0.000 0.996 206 V HN 0.583 nan 8.190 nan 0.000 0.425 207 L N 3.779 125.112 121.223 0.183 0.000 2.417 207 L HA 0.349 4.689 4.340 -0.000 0.000 0.268 207 L C 0.498 177.481 176.870 0.189 0.000 1.158 207 L CA -0.223 54.750 54.840 0.223 0.000 0.819 207 L CB 0.595 42.827 42.059 0.287 0.000 1.112 207 L HN 0.604 nan 8.230 nan 0.000 0.458 208 D N 1.064 121.536 120.400 0.120 0.000 2.371 208 D HA -0.031 4.608 4.640 -0.000 0.000 0.242 208 D C 0.420 176.780 176.300 0.100 0.000 1.218 208 D CA -0.245 53.811 54.000 0.093 0.000 0.945 208 D CB 0.887 41.725 40.800 0.064 0.000 1.137 208 D HN 0.480 nan 8.370 nan 0.000 0.464 209 D N -0.184 120.263 120.400 0.079 0.000 2.178 209 D HA -0.091 4.549 4.640 -0.000 0.000 0.202 209 D C 1.782 178.113 176.300 0.051 0.000 0.974 209 D CA 0.968 55.008 54.000 0.067 0.000 0.841 209 D CB 0.039 40.871 40.800 0.053 0.000 0.953 209 D HN 0.137 nan 8.370 nan 0.000 0.478 210 S N -0.011 115.718 115.700 0.048 0.000 2.387 210 S HA -0.046 4.424 4.470 -0.000 0.000 0.226 210 S C 2.181 176.808 174.600 0.046 0.000 1.026 210 S CA 0.517 58.741 58.200 0.041 0.000 0.972 210 S CB 0.077 63.299 63.200 0.037 0.000 0.814 210 S HN 0.143 nan 8.310 nan 0.000 0.477 211 S N 2.240 117.976 115.700 0.059 0.000 2.368 211 S HA -0.023 4.447 4.470 -0.000 0.000 0.224 211 S C 1.988 176.624 174.600 0.061 0.000 1.029 211 S CA 1.303 59.543 58.200 0.066 0.000 0.988 211 S CB -0.483 62.766 63.200 0.082 0.000 0.838 211 S HN 0.727 nan 8.310 nan 0.000 0.462 212 I N -0.408 120.197 120.570 0.058 0.000 2.546 212 I HA -0.066 4.104 4.170 -0.000 0.000 0.255 212 I C 2.309 178.428 176.117 0.004 0.000 1.163 212 I CA 1.158 62.473 61.300 0.024 0.000 1.457 212 I CB -0.346 37.664 38.000 0.017 0.000 1.092 212 I HN 0.098 nan 8.210 nan 0.000 0.434 213 Q N 1.656 121.466 119.800 0.017 0.000 2.083 213 Q HA -0.152 4.188 4.340 -0.000 0.000 0.198 213 Q C 2.228 178.237 176.000 0.015 0.000 0.969 213 Q CA 1.371 57.180 55.803 0.010 0.000 0.838 213 Q CB -0.195 28.552 28.738 0.016 0.000 0.900 213 Q HN 0.568 nan 8.270 nan 0.000 0.436 214 K N 0.297 120.716 120.400 0.030 0.000 2.148 214 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 214 K C 2.037 178.672 176.600 0.057 0.000 1.050 214 K CA 0.812 57.125 56.287 0.043 0.000 0.942 214 K CB -0.034 32.498 32.500 0.052 0.000 0.724 214 K HN 0.154 nan 8.250 nan 0.000 0.446 215 M N 0.233 119.862 119.600 0.048 0.000 2.156 215 M HA -0.128 4.352 4.480 -0.000 0.000 0.264 215 M C 1.820 178.103 176.300 -0.029 0.000 1.067 215 M CA 1.055 56.372 55.300 0.028 0.000 1.131 215 M CB 0.177 32.754 32.600 -0.039 0.000 1.368 215 M HN -0.103 nan 8.290 nan 0.000 0.416 216 V N 0.498 120.389 119.914 -0.038 0.000 2.343 216 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 216 V C 2.233 178.316 176.094 -0.018 0.000 1.051 216 V CA 2.390 64.661 62.300 -0.048 0.000 1.036 216 V CB -1.060 30.732 31.823 -0.053 0.000 0.654 216 V HN 0.584 nan 8.190 nan 0.000 0.451 217 T N -0.874 113.681 114.554 0.002 0.000 2.833 217 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 217 T C 1.848 176.566 174.700 0.029 0.000 1.054 217 T CA 1.485 63.592 62.100 0.013 0.000 1.135 217 T CB -0.191 68.687 68.868 0.015 0.000 0.869 217 T HN 0.408 nan 8.240 nan 0.000 0.466 218 E N 0.632 120.862 120.200 0.050 0.000 2.110 218 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 218 E C 1.491 178.142 176.600 0.085 0.000 0.988 218 E CA 1.018 57.466 56.400 0.081 0.000 0.804 218 E CB -0.143 29.649 29.700 0.154 0.000 0.745 218 E HN 0.761 nan 8.360 nan 0.000 0.458 219 C N -1.654 117.697 119.300 0.085 0.000 2.778 219 C HA 0.462 4.922 4.460 -0.000 0.000 0.252 219 C C 1.742 176.807 174.990 0.125 0.000 1.693 219 C CA -0.261 58.837 59.018 0.135 0.000 1.724 219 C CB -0.825 27.052 27.740 0.230 0.000 3.153 219 C HN 0.216 nan 8.230 nan 0.000 0.493 220 T N 0.408 114.995 114.554 0.055 0.000 2.867 220 T HA 0.151 4.501 4.350 -0.000 0.000 0.268 220 T C 1.203 175.928 174.700 0.042 0.000 1.057 220 T CA 2.278 64.391 62.100 0.021 0.000 1.136 220 T CB -0.275 68.594 68.868 0.002 0.000 0.874 220 T HN 0.875 nan 8.240 nan 0.000 0.466 221 G N 1.449 110.284 108.800 0.059 0.000 4.729 221 G HA2 0.443 4.403 3.960 -0.000 0.000 0.258 221 G HA3 0.443 4.403 3.960 -0.000 0.000 0.258 221 G C -0.745 174.177 174.900 0.036 0.000 1.188 221 G CA -0.551 44.582 45.100 0.055 0.000 0.866 221 G HN 0.296 nan 8.290 nan 0.000 0.562 222 K N 0.598 121.043 120.400 0.075 0.000 2.385 222 K HA 0.375 4.695 4.320 -0.000 0.000 0.248 222 K C -0.474 175.984 176.600 -0.237 0.000 0.955 222 K CA -0.966 55.279 56.287 -0.069 0.000 0.816 222 K CB 2.721 35.184 32.500 -0.062 0.000 1.250 222 K HN 0.056 nan 8.250 nan 0.000 0.434 223 K N 1.366 121.417 120.400 -0.581 0.000 2.336 223 K HA 0.163 4.483 4.320 -0.000 0.000 0.290 223 K C 0.163 176.034 176.600 -1.215 0.000 1.067 223 K CA -0.206 55.306 56.287 -1.291 0.000 0.962 223 K CB 0.598 32.026 32.500 -1.787 0.000 1.008 223 K HN 0.697 nan 8.250 nan 0.000 0.467 224 G N 1.145 109.044 108.800 -1.502 0.000 2.498 224 G HA2 0.599 4.558 3.960 -0.000 0.000 0.312 224 G HA3 0.599 4.558 3.960 -0.000 0.000 0.312 224 G C -1.202 173.059 174.900 -1.066 0.000 1.230 224 G CA -0.521 43.437 45.100 -1.903 0.000 0.968 224 G HN 0.309 nan 8.290 nan 0.000 0.481 225 V N 0.722 120.186 119.914 -0.750 0.000 2.623 225 V HA 0.409 4.529 4.120 -0.000 0.000 0.304 225 V C -1.135 174.763 176.094 -0.328 0.000 1.054 225 V CA -0.704 61.363 62.300 -0.388 0.000 0.882 225 V CB 1.530 33.206 31.823 -0.244 0.000 1.002 225 V HN 0.597 nan 8.190 nan 0.000 0.424 226 F N 3.529 123.495 119.950 0.026 0.000 2.410 226 F HA 0.535 5.062 4.527 -0.000 0.000 0.348 226 F C 0.318 176.105 175.800 -0.022 0.000 1.106 226 F CA -0.407 57.647 58.000 0.091 0.000 1.163 226 F CB 1.492 40.579 39.000 0.145 0.000 1.129 226 F HN 0.159 nan 8.300 nan 0.000 0.516 227 V N 4.839 124.862 119.914 0.182 0.000 2.376 227 V HA 0.380 4.500 4.120 -0.000 0.000 0.287 227 V C -0.667 175.522 176.094 0.157 0.000 1.015 227 V CA -0.746 61.594 62.300 0.067 0.000 0.834 227 V CB 1.473 33.294 31.823 -0.002 0.000 1.001 227 V HN 0.471 nan 8.190 nan 0.000 0.428 228 V N 4.753 124.733 119.914 0.109 0.000 2.326 228 V HA 0.672 4.792 4.120 -0.000 0.000 0.281 228 V C 0.895 177.032 176.094 0.072 0.000 1.015 228 V CA -0.151 62.227 62.300 0.129 0.000 0.823 228 V CB 1.153 33.012 31.823 0.060 0.000 1.009 228 V HN 0.858 nan 8.190 nan 0.000 0.436 229 G N 5.505 114.356 108.800 0.085 0.000 2.509 229 G HA2 0.478 4.438 3.960 -0.000 0.000 0.269 229 G HA3 0.478 4.438 3.960 -0.000 0.000 0.269 229 G C -2.613 172.314 174.900 0.045 0.000 1.416 229 G CA -1.427 43.711 45.100 0.064 0.000 1.052 229 G HN 0.533 nan 8.290 nan 0.000 0.542 230 P HA 0.159 nan 4.420 nan 0.000 0.263 230 P C -0.745 176.564 177.300 0.015 0.000 1.195 230 P CA 0.614 63.715 63.100 0.002 0.000 0.762 230 P CB 0.807 32.502 31.700 -0.009 0.000 0.799 231 I N 2.280 122.850 120.570 -0.000 0.000 2.619 231 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 231 I C 0.783 176.897 176.117 -0.005 0.000 1.100 231 I CA -0.656 60.652 61.300 0.013 0.000 1.043 231 I CB 2.464 40.480 38.000 0.026 0.000 1.239 231 I HN 0.081 nan 8.210 nan 0.000 0.420 232 D N 5.013 125.419 120.400 0.010 0.000 2.106 232 D HA -0.008 4.631 4.640 -0.000 0.000 0.203 232 D C 0.241 176.546 176.300 0.007 0.000 0.977 232 D CA 1.239 55.245 54.000 0.010 0.000 0.844 232 D CB 0.265 41.079 40.800 0.023 0.000 1.002 232 D HN 0.380 nan 8.370 nan 0.000 0.461 233 K N 1.453 121.859 120.400 0.009 0.000 2.511 233 K HA -0.066 4.254 4.320 -0.000 0.000 0.277 233 K C 0.337 176.925 176.600 -0.020 0.000 1.025 233 K CA 0.589 56.876 56.287 -0.000 0.000 1.112 233 K CB 0.517 33.018 32.500 0.002 0.000 0.859 233 K HN 0.116 nan 8.250 nan 0.000 0.485 234 K N 2.343 122.735 120.400 -0.013 0.000 2.168 234 K HA -0.039 4.281 4.320 -0.000 0.000 0.258 234 K C 0.266 176.838 176.600 -0.045 0.000 1.010 234 K CA 0.038 56.316 56.287 -0.015 0.000 0.929 234 K CB 0.549 33.055 32.500 0.009 0.000 0.998 234 K HN 0.746 nan 8.250 nan 0.000 0.479 235 E N 0.545 120.717 120.200 -0.047 0.000 2.257 235 E HA -0.256 4.094 4.350 -0.000 0.000 0.224 235 E C -0.035 176.496 176.600 -0.116 0.000 1.286 235 E CA 0.328 56.686 56.400 -0.071 0.000 0.716 235 E CB -1.485 28.183 29.700 -0.053 0.000 1.159 235 E HN 0.430 nan 8.360 nan 0.000 0.367 236 L N 0.322 121.458 121.223 -0.145 0.000 2.585 236 L HA 0.019 4.359 4.340 -0.000 0.000 0.226 236 L C 2.330 179.028 176.870 -0.285 0.000 1.113 236 L CA 0.489 55.208 54.840 -0.202 0.000 0.876 236 L CB 0.144 42.088 42.059 -0.191 0.000 1.072 236 L HN 0.208 nan 8.230 nan 0.000 0.468 237 E N -0.478 119.548 120.200 -0.290 0.000 2.012 237 E HA -0.325 4.025 4.350 -0.000 0.000 0.197 237 E C 1.785 178.063 176.600 -0.538 0.000 1.007 237 E CA 1.311 57.435 56.400 -0.461 0.000 0.816 237 E CB -0.386 29.015 29.700 -0.500 0.000 0.762 237 E HN 0.382 nan 8.360 nan 0.000 0.451 238 Q N 1.216 120.778 119.800 -0.395 0.000 2.084 238 Q HA -0.075 4.265 4.340 -0.000 0.000 0.202 238 Q C -0.775 175.068 176.000 -0.261 0.000 0.978 238 Q CA 1.997 57.624 55.803 -0.293 0.000 0.844 238 Q CB -1.085 27.570 28.738 -0.138 0.000 0.898 238 Q HN 0.202 nan 8.270 nan 0.000 0.426 239 P HA -0.134 nan 4.420 nan 0.000 0.221 239 P C 1.105 178.205 177.300 -0.333 0.000 1.150 239 P CA 1.085 64.036 63.100 -0.248 0.000 0.800 239 P CB -0.071 31.498 31.700 -0.219 0.000 0.787 240 M N -0.032 119.314 119.600 -0.423 0.000 2.099 240 M HA -0.092 4.387 4.480 -0.000 0.000 0.262 240 M C 1.966 177.959 176.300 -0.511 0.000 1.067 240 M CA 1.686 56.644 55.300 -0.570 0.000 1.124 240 M CB -1.108 31.127 32.600 -0.608 0.000 1.353 240 M HN -0.320 nan 8.290 nan 0.000 0.410 241 V N 0.753 120.429 119.914 -0.396 0.000 2.287 241 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 241 V C 1.926 177.895 176.094 -0.208 0.000 1.053 241 V CA 2.228 64.363 62.300 -0.275 0.000 1.027 241 V CB -1.053 30.632 31.823 -0.230 0.000 0.646 241 V HN 0.453 nan 8.190 nan 0.000 0.447 242 D N -0.301 119.977 120.400 -0.204 0.000 2.144 242 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 242 D C 1.916 178.116 176.300 -0.167 0.000 0.984 242 D CA 1.003 54.911 54.000 -0.153 0.000 0.834 242 D CB -0.260 40.457 40.800 -0.138 0.000 0.955 242 D HN 0.361 nan 8.370 nan 0.000 0.465 243 L N 0.751 121.832 121.223 -0.236 0.000 2.056 243 L HA 0.021 4.360 4.340 -0.000 0.000 0.207 243 L C 2.035 178.796 176.870 -0.182 0.000 1.078 243 L CA 1.529 56.230 54.840 -0.231 0.000 0.749 243 L CB -0.642 41.241 42.059 -0.292 0.000 0.901 243 L HN -0.039 nan 8.230 nan 0.000 0.433 244 A N -0.985 121.708 122.820 -0.211 0.000 1.968 244 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 244 A C 2.411 180.018 177.584 0.038 0.000 1.169 244 A CA 1.545 53.600 52.037 0.029 0.000 0.638 244 A CB -0.479 18.514 19.000 -0.011 0.000 0.812 244 A HN 0.457 nan 8.150 nan 0.000 0.446 245 K N -0.114 120.266 120.400 -0.033 0.000 2.103 245 K HA -0.110 4.209 4.320 -0.000 0.000 0.204 245 K C 2.121 178.709 176.600 -0.021 0.000 1.052 245 K CA 1.517 57.798 56.287 -0.010 0.000 0.945 245 K CB -0.099 32.384 32.500 -0.029 0.000 0.722 245 K HN 0.472 nan 8.250 nan 0.000 0.443 246 K N 0.172 120.533 120.400 -0.065 0.000 2.031 246 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 246 K C 1.738 178.276 176.600 -0.105 0.000 1.049 246 K CA 0.923 57.161 56.287 -0.082 0.000 0.939 246 K CB 0.086 32.519 32.500 -0.112 0.000 0.717 246 K HN 0.006 nan 8.250 nan 0.000 0.438 247 L N 0.304 121.418 121.223 -0.182 0.000 2.313 247 L HA 0.155 4.495 4.340 -0.000 0.000 0.214 247 L C 1.074 177.883 176.870 -0.101 0.000 1.119 247 L CA 1.611 56.232 54.840 -0.365 0.000 0.809 247 L CB -0.188 41.281 42.059 -0.984 0.000 0.933 247 L HN 0.556 nan 8.230 nan 0.000 0.449 248 G N -2.003 106.854 108.800 0.095 0.000 2.212 248 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.255 248 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.255 248 G C -0.490 174.775 174.900 0.608 0.000 1.062 248 G CA -0.128 45.149 45.100 0.295 0.000 0.815 248 G HN 0.115 nan 8.290 nan 0.000 0.497 249 W N 0.196 121.621 121.300 0.209 0.000 2.666 249 W HA 0.605 5.265 4.660 -0.000 0.000 0.334 249 W C -1.825 174.737 176.519 0.072 0.000 1.051 249 W CA -3.108 54.361 57.345 0.207 0.000 1.224 249 W CB 1.174 30.754 29.460 0.199 0.000 1.405 249 W HN 0.033 nan 8.180 nan 0.000 0.513 250 P HA 0.288 nan 4.420 nan 0.000 0.274 250 P C -0.436 176.863 177.300 -0.002 0.000 1.231 250 P CA 0.028 63.027 63.100 -0.169 0.000 0.790 250 P CB 1.417 32.651 31.700 -0.776 0.000 0.951 251 I N 2.577 123.154 120.570 0.012 0.000 2.371 251 I HA 0.230 4.400 4.170 -0.000 0.000 0.282 251 I C 0.474 176.577 176.117 -0.023 0.000 1.031 251 I CA -0.697 60.630 61.300 0.046 0.000 1.180 251 I CB 0.728 38.735 38.000 0.010 0.000 1.336 251 I HN 0.071 nan 8.210 nan 0.000 0.467 252 L N 6.512 127.660 121.223 -0.125 0.000 2.536 252 L HA 0.360 4.700 4.340 -0.000 0.000 0.282 252 L C 0.669 177.436 176.870 -0.172 0.000 1.174 252 L CA -0.104 54.572 54.840 -0.273 0.000 0.989 252 L CB -0.023 41.701 42.059 -0.558 0.000 1.311 252 L HN 0.646 nan 8.230 nan 0.000 0.455 253 A N 2.577 125.440 122.820 0.072 0.000 2.292 253 A HA 0.379 4.699 4.320 -0.000 0.000 0.319 253 A C -0.401 177.319 177.584 0.227 0.000 1.206 253 A CA -0.646 51.457 52.037 0.110 0.000 0.835 253 A CB 0.890 19.945 19.000 0.091 0.000 1.164 253 A HN 0.603 nan 8.150 nan 0.000 0.505 254 D N 2.257 122.744 120.400 0.145 0.000 2.357 254 D HA 0.329 4.969 4.640 -0.000 0.000 0.242 254 D C -1.533 174.806 176.300 0.064 0.000 1.153 254 D CA -1.165 52.921 54.000 0.144 0.000 0.918 254 D CB 1.009 41.856 40.800 0.078 0.000 1.181 254 D HN 0.203 nan 8.370 nan 0.000 0.435 255 P HA -0.052 nan 4.420 nan 0.000 0.222 255 P C 0.662 177.879 177.300 -0.138 0.000 1.147 255 P CA 1.037 64.079 63.100 -0.096 0.000 0.790 255 P CB 0.171 31.778 31.700 -0.155 0.000 0.780 256 L N -1.339 119.826 121.223 -0.096 0.000 2.607 256 L HA 0.097 4.437 4.340 -0.000 0.000 0.228 256 L C 2.004 178.828 176.870 -0.078 0.000 1.123 256 L CA 0.413 55.184 54.840 -0.114 0.000 0.890 256 L CB -0.574 41.420 42.059 -0.109 0.000 1.103 256 L HN 0.019 nan 8.230 nan 0.000 0.468 257 S N -0.940 114.732 115.700 -0.046 0.000 2.461 257 S HA 0.084 4.554 4.470 -0.000 0.000 0.228 257 S C 1.768 176.332 174.600 -0.059 0.000 1.005 257 S CA 0.675 58.852 58.200 -0.038 0.000 0.942 257 S CB 0.238 63.429 63.200 -0.015 0.000 0.776 257 S HN 0.486 nan 8.310 nan 0.000 0.514 258 G N 1.233 110.001 108.800 -0.053 0.000 2.241 258 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.244 258 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.244 258 G C 0.640 175.570 174.900 0.051 0.000 0.998 258 G CA 0.302 45.381 45.100 -0.035 0.000 0.621 258 G HN 0.520 nan 8.290 nan 0.000 0.519 259 L N -0.169 121.068 121.223 0.025 0.000 2.551 259 L HA 0.231 4.571 4.340 -0.000 0.000 0.228 259 L C 2.591 179.617 176.870 0.261 0.000 1.153 259 L CA 1.101 55.992 54.840 0.086 0.000 0.851 259 L CB -0.105 41.923 42.059 -0.051 0.000 0.959 259 L HN 0.205 nan 8.230 nan 0.000 0.451 260 R N -0.020 120.586 120.500 0.177 0.000 2.246 260 R HA 0.030 4.370 4.340 -0.000 0.000 0.199 260 R C 0.236 176.661 176.300 0.208 0.000 0.984 260 R CA 0.732 56.947 56.100 0.191 0.000 1.015 260 R CB 0.441 30.833 30.300 0.154 0.000 0.930 260 R HN 0.304 nan 8.270 nan 0.000 0.475 261 S N -1.114 114.691 115.700 0.174 0.000 2.777 261 S HA 0.075 4.545 4.470 -0.000 0.000 0.140 261 S C -0.417 174.229 174.600 0.077 0.000 1.233 261 S CA -0.906 57.350 58.200 0.094 0.000 1.157 261 S CB -0.654 62.628 63.200 0.136 0.000 1.600 261 S HN 0.367 nan 8.310 nan 0.000 0.432 262 Y N -0.490 119.799 120.300 -0.018 0.000 2.481 262 Y HA 0.679 5.229 4.550 -0.000 0.000 0.247 262 Y C 1.293 177.176 175.900 -0.028 0.000 1.151 262 Y CA -0.268 57.810 58.100 -0.036 0.000 1.238 262 Y CB 0.223 38.653 38.460 -0.050 0.000 1.179 262 Y HN 0.840 nan 8.280 nan 0.000 0.524 263 G N 0.170 108.766 108.800 -0.340 0.000 2.138 263 G HA2 0.131 4.091 3.960 -0.000 0.000 0.193 263 G HA3 0.131 4.091 3.960 -0.000 0.000 0.193 263 G C -0.139 174.557 174.900 -0.340 0.000 0.998 263 G CA -0.252 44.700 45.100 -0.247 0.000 0.668 263 G HN 1.103 nan 8.290 nan 0.000 0.516 264 A N -0.794 121.637 122.820 -0.648 0.000 2.547 264 A HA 0.825 5.145 4.320 -0.000 0.000 0.297 264 A C -0.538 176.777 177.584 -0.448 0.000 1.056 264 A CA -0.579 51.177 52.037 -0.468 0.000 0.688 264 A CB 1.433 20.241 19.000 -0.319 0.000 1.282 264 A HN 0.972 nan 8.150 nan 0.000 0.400 265 L N 1.211 122.308 121.223 -0.209 0.000 2.466 265 L HA 0.589 4.929 4.340 -0.000 0.000 0.257 265 L C 0.148 176.994 176.870 -0.039 0.000 1.189 265 L CA 0.832 55.602 54.840 -0.116 0.000 0.813 265 L CB 0.652 42.664 42.059 -0.077 0.000 1.118 265 L HN 0.813 nan 8.230 nan 0.000 0.471 266 D N -1.532 118.873 120.400 0.009 0.000 2.664 266 D HA 0.319 4.959 4.640 -0.000 0.000 0.292 266 D C -0.416 175.908 176.300 0.041 0.000 1.214 266 D CA -0.182 53.851 54.000 0.055 0.000 0.932 266 D CB 1.638 42.510 40.800 0.121 0.000 1.420 266 D HN 0.568 nan 8.370 nan 0.000 0.471 267 E N -0.255 119.972 120.200 0.046 0.000 2.676 267 E HA 0.084 4.434 4.350 -0.000 0.000 0.225 267 E C 0.965 177.596 176.600 0.052 0.000 0.944 267 E CA 0.212 56.637 56.400 0.041 0.000 1.156 267 E CB 0.249 29.967 29.700 0.030 0.000 1.117 267 E HN 0.191 nan 8.360 nan 0.000 0.523 268 V N -1.725 118.222 119.914 0.055 0.000 3.379 268 V HA 0.317 4.437 4.120 -0.000 0.000 0.249 268 V C 1.034 177.160 176.094 0.054 0.000 1.184 268 V CA -0.221 62.111 62.300 0.054 0.000 1.106 268 V CB 0.345 32.192 31.823 0.041 0.000 0.826 268 V HN -0.048 nan 8.190 nan 0.000 0.465 269 V N 3.240 123.194 119.914 0.068 0.000 2.470 269 V HA 0.366 4.486 4.120 -0.000 0.000 0.276 269 V C -0.078 176.085 176.094 0.116 0.000 1.040 269 V CA 0.248 62.600 62.300 0.086 0.000 1.008 269 V CB 1.029 32.922 31.823 0.117 0.000 0.990 269 V HN 0.541 nan 8.190 nan 0.000 0.477 270 I N 4.611 125.269 120.570 0.146 0.000 2.406 270 I HA 0.541 4.710 4.170 -0.000 0.000 0.290 270 I C -0.020 176.284 176.117 0.311 0.000 0.999 270 I CA -0.439 60.996 61.300 0.225 0.000 1.124 270 I CB 1.859 40.028 38.000 0.282 0.000 1.289 270 I HN 0.729 nan 8.210 nan 0.000 0.441 271 D N 4.234 124.760 120.400 0.209 0.000 2.563 271 D HA 0.086 4.725 4.640 -0.000 0.000 0.237 271 D C 0.252 176.436 176.300 -0.195 0.000 1.282 271 D CA -0.134 53.899 54.000 0.056 0.000 0.816 271 D CB 0.452 41.291 40.800 0.064 0.000 1.066 271 D HN 0.450 nan 8.370 nan 0.000 0.501 272 Q N -0.174 119.574 119.800 -0.086 0.000 2.171 272 Q HA 0.087 4.427 4.340 -0.000 0.000 0.218 272 Q C 0.821 176.526 176.000 -0.491 0.000 0.822 272 Q CA -0.153 55.555 55.803 -0.159 0.000 0.987 272 Q CB -0.053 28.770 28.738 0.142 0.000 1.144 272 Q HN 0.621 nan 8.270 nan 0.000 0.494 273 Y N -0.226 119.775 120.300 -0.498 0.000 2.315 273 Y HA -0.181 4.369 4.550 -0.000 0.000 0.288 273 Y C 1.626 177.083 175.900 -0.739 0.000 1.154 273 Y CA 1.319 58.821 58.100 -0.997 0.000 1.229 273 Y CB -0.523 37.678 38.460 -0.431 0.000 0.980 273 Y HN -0.019 nan 8.280 nan 0.000 0.540 274 D N 0.880 120.863 120.400 -0.695 0.000 2.178 274 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 274 D C 2.107 178.213 176.300 -0.323 0.000 0.980 274 D CA 1.444 55.209 54.000 -0.392 0.000 0.842 274 D CB -0.189 40.365 40.800 -0.411 0.000 0.948 274 D HN 0.475 nan 8.370 nan 0.000 0.472 275 A N -0.327 122.267 122.820 -0.377 0.000 1.861 275 A HA 0.036 4.356 4.320 -0.000 0.000 0.212 275 A C 1.991 179.475 177.584 -0.167 0.000 1.199 275 A CA 1.069 52.972 52.037 -0.223 0.000 0.613 275 A CB -0.974 17.939 19.000 -0.144 0.000 0.846 275 A HN 0.413 nan 8.150 nan 0.000 0.446 276 F N -1.199 118.670 119.950 -0.135 0.000 2.664 276 F HA 0.336 4.863 4.527 -0.000 0.000 0.296 276 F C 1.255 176.912 175.800 -0.238 0.000 1.125 276 F CA 0.146 58.032 58.000 -0.190 0.000 1.444 276 F CB -0.238 38.623 39.000 -0.232 0.000 1.114 276 F HN 0.009 nan 8.300 nan 0.000 0.576 277 L N 0.703 121.713 121.223 -0.355 0.000 2.599 277 L HA 0.081 4.421 4.340 -0.000 0.000 0.230 277 L C 1.911 178.723 176.870 -0.097 0.000 1.141 277 L CA 0.474 55.160 54.840 -0.257 0.000 0.877 277 L CB -0.469 41.344 42.059 -0.410 0.000 1.009 277 L HN 0.161 nan 8.230 nan 0.000 0.447 278 K N 0.114 120.463 120.400 -0.085 0.000 2.155 278 K HA -0.098 4.222 4.320 -0.000 0.000 0.203 278 K C 0.657 177.249 176.600 -0.014 0.000 1.052 278 K CA 0.545 56.813 56.287 -0.031 0.000 0.948 278 K CB 0.067 32.544 32.500 -0.039 0.000 0.728 278 K HN 0.015 nan 8.250 nan 0.000 0.448 279 E N 0.504 120.687 120.200 -0.028 0.000 2.217 279 E HA 0.100 4.450 4.350 -0.000 0.000 0.279 279 E C 0.295 176.880 176.600 -0.025 0.000 1.068 279 E CA -0.148 56.235 56.400 -0.029 0.000 0.882 279 E CB 1.163 30.832 29.700 -0.051 0.000 1.039 279 E HN 0.210 nan 8.360 nan 0.000 0.418 280 A N 4.274 127.094 122.820 -0.000 0.000 2.121 280 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 280 A C 1.831 179.423 177.584 0.012 0.000 1.154 280 A CA 1.212 53.264 52.037 0.025 0.000 0.679 280 A CB -0.230 18.789 19.000 0.032 0.000 0.795 280 A HN 0.758 nan 8.150 nan 0.000 0.458 281 E N -0.285 119.901 120.200 -0.023 0.000 2.216 281 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 281 E C 1.396 177.945 176.600 -0.085 0.000 0.988 281 E CA 0.763 57.141 56.400 -0.036 0.000 0.834 281 E CB 0.018 29.694 29.700 -0.039 0.000 0.772 281 E HN 0.583 nan 8.360 nan 0.000 0.479 282 I N 0.538 121.012 120.570 -0.159 0.000 2.852 282 I HA -0.101 4.069 4.170 -0.000 0.000 0.264 282 I C 2.183 178.200 176.117 -0.168 0.000 1.179 282 I CA 0.539 61.646 61.300 -0.323 0.000 1.480 282 I CB -0.762 36.913 38.000 -0.543 0.000 1.111 282 I HN 0.177 nan 8.210 nan 0.000 0.441 283 I N 1.227 121.794 120.570 -0.005 0.000 2.151 283 I HA -0.344 3.825 4.170 -0.000 0.000 0.243 283 I C 2.459 178.763 176.117 0.312 0.000 1.080 283 I CA 1.826 63.283 61.300 0.262 0.000 1.339 283 I CB -0.324 37.857 38.000 0.301 0.000 1.039 283 I HN 0.287 nan 8.210 nan 0.000 0.409 284 D N 0.644 121.133 120.400 0.147 0.000 2.149 284 D HA -0.164 4.476 4.640 -0.000 0.000 0.201 284 D C 2.102 178.470 176.300 0.113 0.000 0.972 284 D CA 1.011 55.083 54.000 0.119 0.000 0.835 284 D CB 0.199 41.039 40.800 0.067 0.000 0.966 284 D HN 0.154 nan 8.370 nan 0.000 0.476 285 K N 0.345 120.778 120.400 0.057 0.000 2.057 285 K HA -0.013 4.307 4.320 -0.000 0.000 0.206 285 K C 1.777 178.428 176.600 0.084 0.000 1.050 285 K CA 0.376 56.690 56.287 0.046 0.000 0.935 285 K CB -0.100 32.392 32.500 -0.013 0.000 0.715 285 K HN 0.285 nan 8.250 nan 0.000 0.439 286 L N 2.006 123.250 121.223 0.035 0.000 2.783 286 L HA 0.074 4.414 4.340 -0.000 0.000 0.236 286 L C -0.101 177.119 176.870 0.584 0.000 1.225 286 L CA -0.226 54.619 54.840 0.009 0.000 1.026 286 L CB 0.031 41.652 42.059 -0.730 0.000 1.314 286 L HN -0.097 nan 8.230 nan 0.000 0.489 287 T N 2.589 117.445 114.554 0.503 0.000 2.784 287 T HA 0.160 4.510 4.350 -0.000 0.000 0.291 287 T C -1.958 173.005 174.700 0.438 0.000 0.942 287 T CA -0.725 61.636 62.100 0.434 0.000 1.161 287 T CB 0.448 69.436 68.868 0.201 0.000 0.885 287 T HN 0.108 nan 8.240 nan 0.000 0.534 288 P HA 0.420 nan 4.420 nan 0.000 0.284 288 P C 0.344 177.589 177.300 -0.091 0.000 1.292 288 P CA -0.614 62.598 63.100 0.186 0.000 0.800 288 P CB 1.539 33.428 31.700 0.316 0.000 1.188 289 E N -1.067 118.981 120.200 -0.253 0.000 2.330 289 E HA 0.128 4.477 4.350 -0.000 0.000 0.200 289 E C -0.024 176.460 176.600 -0.194 0.000 0.922 289 E CA 0.291 56.564 56.400 -0.210 0.000 0.935 289 E CB 0.479 30.035 29.700 -0.239 0.000 0.917 289 E HN 0.278 nan 8.360 nan 0.000 0.491 290 V N -0.339 119.401 119.914 -0.290 0.000 2.638 290 V HA 0.558 4.678 4.120 -0.000 0.000 0.306 290 V C -0.444 175.427 176.094 -0.372 0.000 1.052 290 V CA -1.066 61.079 62.300 -0.258 0.000 0.885 290 V CB 1.975 33.688 31.823 -0.184 0.000 0.999 290 V HN -0.235 nan 8.190 nan 0.000 0.424 291 V N 5.681 125.390 119.914 -0.342 0.000 2.487 291 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 291 V C -0.412 175.424 176.094 -0.430 0.000 1.028 291 V CA -0.428 61.566 62.300 -0.511 0.000 0.860 291 V CB 1.822 33.121 31.823 -0.873 0.000 0.991 291 V HN 0.956 nan 8.190 nan 0.000 0.427 292 I N 5.153 125.525 120.570 -0.330 0.000 2.418 292 I HA 0.575 4.745 4.170 -0.000 0.000 0.287 292 I C -0.172 175.854 176.117 -0.152 0.000 1.008 292 I CA -0.417 60.764 61.300 -0.197 0.000 1.104 292 I CB 0.948 38.869 38.000 -0.132 0.000 1.264 292 I HN 0.538 nan 8.210 nan 0.000 0.438 293 R N 6.064 126.430 120.500 -0.223 0.000 2.486 293 R HA 0.596 4.936 4.340 -0.000 0.000 0.286 293 R C -1.700 174.408 176.300 -0.321 0.000 0.999 293 R CA -0.499 55.532 56.100 -0.116 0.000 0.993 293 R CB 1.686 31.991 30.300 0.008 0.000 1.084 293 R HN 0.508 nan 8.270 nan 0.000 0.487 294 F N -0.379 119.609 119.950 0.064 0.000 2.576 294 F HA 0.433 4.960 4.527 -0.000 0.000 0.313 294 F C 0.932 176.750 175.800 0.031 0.000 1.078 294 F CA 0.050 58.077 58.000 0.044 0.000 0.921 294 F CB 2.155 41.173 39.000 0.030 0.000 1.232 294 F HN 0.815 nan 8.300 nan 0.000 0.459 295 G N 1.304 110.231 108.800 0.211 0.000 2.697 295 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.240 295 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.240 295 G C -0.199 174.754 174.900 0.088 0.000 1.346 295 G CA -0.503 44.672 45.100 0.125 0.000 0.887 295 G HN 0.771 nan 8.290 nan 0.000 0.569 296 S N 0.067 115.809 115.700 0.069 0.000 2.617 296 S HA 0.498 4.968 4.470 -0.000 0.000 0.255 296 S C 1.095 175.736 174.600 0.068 0.000 1.318 296 S CA -0.278 57.959 58.200 0.062 0.000 0.978 296 S CB 0.368 63.599 63.200 0.050 0.000 0.961 296 S HN 0.577 nan 8.310 nan 0.000 0.582 297 M N 2.253 121.892 119.600 0.066 0.000 2.228 297 M HA 0.225 4.705 4.480 -0.000 0.000 0.351 297 M C -2.245 174.097 176.300 0.070 0.000 1.233 297 M CA -1.868 53.476 55.300 0.074 0.000 1.129 297 M CB -0.306 32.336 32.600 0.071 0.000 1.604 297 M HN 0.277 nan 8.290 nan 0.000 0.457 298 P HA 0.010 nan 4.420 nan 0.000 0.270 298 P C 0.942 178.296 177.300 0.090 0.000 1.223 298 P CA -0.291 62.860 63.100 0.086 0.000 0.785 298 P CB 0.324 32.079 31.700 0.091 0.000 0.923 299 V N -1.284 118.683 119.914 0.089 0.000 3.217 299 V HA -0.037 4.083 4.120 -0.000 0.000 0.264 299 V C 0.937 177.078 176.094 0.079 0.000 1.135 299 V CA 0.980 63.320 62.300 0.068 0.000 1.142 299 V CB -0.859 30.988 31.823 0.040 0.000 0.754 299 V HN 0.494 nan 8.190 nan 0.000 0.484 300 S N 0.455 116.229 115.700 0.124 0.000 2.455 300 S HA 0.233 4.703 4.470 -0.000 0.000 0.278 300 S C 1.051 175.715 174.600 0.106 0.000 1.216 300 S CA -0.276 57.997 58.200 0.122 0.000 1.055 300 S CB 0.753 64.093 63.200 0.234 0.000 0.939 300 S HN 0.614 nan 8.310 nan 0.000 0.494 301 K N 4.823 125.267 120.400 0.073 0.000 2.097 301 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 301 K C -1.036 175.613 176.600 0.082 0.000 1.050 301 K CA 1.231 57.560 56.287 0.070 0.000 0.938 301 K CB -0.701 31.830 32.500 0.051 0.000 0.718 301 K HN 0.476 nan 8.250 nan 0.000 0.442 302 P HA -0.164 nan 4.420 nan 0.000 0.217 302 P C 1.199 178.588 177.300 0.148 0.000 1.150 302 P CA 0.851 63.998 63.100 0.079 0.000 0.832 302 P CB 0.147 31.855 31.700 0.013 0.000 0.787 303 L N -0.259 121.066 121.223 0.169 0.000 2.109 303 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 303 L C 1.971 178.997 176.870 0.260 0.000 1.086 303 L CA 1.919 56.898 54.840 0.232 0.000 0.760 303 L CB -0.942 41.221 42.059 0.174 0.000 0.910 303 L HN -0.214 nan 8.230 nan 0.000 0.437 304 K N -0.437 120.071 120.400 0.179 0.000 2.032 304 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 304 K C 1.922 178.606 176.600 0.139 0.000 1.048 304 K CA 1.609 57.982 56.287 0.143 0.000 0.927 304 K CB -0.263 32.296 32.500 0.099 0.000 0.712 304 K HN 0.358 nan 8.250 nan 0.000 0.441 305 N N -0.052 118.734 118.700 0.144 0.000 2.166 305 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 305 N C 1.446 177.062 175.510 0.177 0.000 1.019 305 N CA 0.996 54.124 53.050 0.129 0.000 0.856 305 N CB -0.221 38.334 38.487 0.113 0.000 0.993 305 N HN 0.318 nan 8.380 nan 0.000 0.426 306 W N 1.891 123.225 121.300 0.058 0.000 2.379 306 W HA 0.037 4.697 4.660 -0.000 0.000 0.307 306 W C 1.954 178.534 176.519 0.102 0.000 1.200 306 W CA 0.823 58.213 57.345 0.075 0.000 1.297 306 W CB -0.503 29.009 29.460 0.086 0.000 1.140 306 W HN -0.058 nan 8.180 nan 0.000 0.507 307 L N 0.284 121.593 121.223 0.143 0.000 2.141 307 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 307 L C 2.489 179.341 176.870 -0.029 0.000 1.094 307 L CA 1.802 56.660 54.840 0.030 0.000 0.763 307 L CB -0.822 41.414 42.059 0.295 0.000 0.908 307 L HN 0.084 nan 8.230 nan 0.000 0.437 308 E N -0.268 119.917 120.200 -0.025 0.000 2.107 308 E HA -0.248 4.102 4.350 -0.000 0.000 0.191 308 E C 2.209 178.757 176.600 -0.086 0.000 0.982 308 E CA 0.705 57.063 56.400 -0.070 0.000 0.809 308 E CB 0.096 29.777 29.700 -0.032 0.000 0.756 308 E HN 0.377 nan 8.360 nan 0.000 0.459 309 Q N 1.094 120.840 119.800 -0.089 0.000 2.083 309 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 309 Q C 0.612 176.530 176.000 -0.138 0.000 0.969 309 Q CA 0.558 56.307 55.803 -0.091 0.000 0.838 309 Q CB -0.239 28.468 28.738 -0.052 0.000 0.900 309 Q HN 0.277 nan 8.270 nan 0.000 0.436 310 L N 1.805 122.881 121.223 -0.244 0.000 2.462 310 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 310 L C -0.114 176.677 176.870 -0.132 0.000 1.166 310 L CA -0.150 54.548 54.840 -0.236 0.000 0.880 310 L CB 0.756 42.567 42.059 -0.413 0.000 1.142 310 L HN -0.012 nan 8.230 nan 0.000 0.473 311 S N 0.217 115.860 115.700 -0.094 0.000 2.634 311 S HA 0.571 5.041 4.470 -0.000 0.000 0.296 311 S C 0.009 174.577 174.600 -0.054 0.000 1.104 311 S CA -0.566 57.595 58.200 -0.066 0.000 0.920 311 S CB 1.577 64.743 63.200 -0.056 0.000 1.111 311 S HN 0.779 nan 8.310 nan 0.000 0.493 312 D N 0.070 120.442 120.400 -0.046 0.000 2.870 312 D HA -0.133 4.507 4.640 -0.000 0.000 0.228 312 D C -0.025 176.248 176.300 -0.045 0.000 1.147 312 D CA 1.065 55.040 54.000 -0.042 0.000 0.757 312 D CB -1.090 39.688 40.800 -0.037 0.000 1.091 312 D HN 0.698 nan 8.370 nan 0.000 0.429 313 I N -2.783 117.762 120.570 -0.043 0.000 2.982 313 I HA 0.597 4.767 4.170 -0.000 0.000 0.312 313 I C 0.050 176.139 176.117 -0.046 0.000 1.041 313 I CA -0.677 60.594 61.300 -0.049 0.000 1.053 313 I CB 1.352 39.319 38.000 -0.055 0.000 1.248 313 I HN -0.250 nan 8.210 nan 0.000 0.471 314 R N 2.524 122.983 120.500 -0.068 0.000 2.221 314 R HA 0.394 4.734 4.340 -0.000 0.000 0.327 314 R C -1.629 174.602 176.300 -0.114 0.000 1.033 314 R CA -0.359 55.667 56.100 -0.124 0.000 0.887 314 R CB 0.566 30.804 30.300 -0.103 0.000 1.057 314 R HN 0.628 nan 8.270 nan 0.000 0.455 315 F N 4.147 123.920 119.950 -0.295 0.000 2.366 315 F HA 0.306 4.832 4.527 -0.000 0.000 0.366 315 F C -0.910 174.710 175.800 -0.300 0.000 1.096 315 F CA -1.034 56.837 58.000 -0.215 0.000 1.060 315 F CB 0.556 39.456 39.000 -0.167 0.000 1.282 315 F HN 0.380 nan 8.300 nan 0.000 0.450 316 Y N 4.533 124.791 120.300 -0.071 0.000 2.313 316 Y HA 0.505 5.054 4.550 -0.000 0.000 0.332 316 Y C -0.045 175.796 175.900 -0.099 0.000 1.071 316 Y CA -0.723 57.322 58.100 -0.092 0.000 1.169 316 Y CB 1.491 39.856 38.460 -0.158 0.000 1.192 316 Y HN 0.343 nan 8.280 nan 0.000 0.487 317 V N 4.106 124.033 119.914 0.023 0.000 2.487 317 V HA 0.637 4.757 4.120 -0.000 0.000 0.298 317 V C -1.227 174.750 176.094 -0.196 0.000 1.028 317 V CA -0.793 61.458 62.300 -0.083 0.000 0.860 317 V CB 1.423 33.234 31.823 -0.020 0.000 0.991 317 V HN 0.507 nan 8.190 nan 0.000 0.427 318 V N 5.848 125.592 119.914 -0.282 0.000 2.368 318 V HA 0.487 4.607 4.120 -0.000 0.000 0.266 318 V C -0.317 175.711 176.094 -0.110 0.000 1.045 318 V CA 0.017 62.171 62.300 -0.244 0.000 0.899 318 V CB 0.963 32.538 31.823 -0.413 0.000 1.006 318 V HN 0.997 nan 8.190 nan 0.000 0.470 319 D N 7.178 127.539 120.400 -0.064 0.000 2.346 319 D HA 0.365 5.005 4.640 -0.000 0.000 0.255 319 D C -1.569 174.832 176.300 0.168 0.000 1.276 319 D CA -1.778 52.241 54.000 0.031 0.000 0.941 319 D CB 2.467 43.249 40.800 -0.030 0.000 1.199 319 D HN 0.206 nan 8.370 nan 0.000 0.537 320 P HA 0.014 nan 4.420 nan 0.000 0.222 320 P C 1.087 178.454 177.300 0.111 0.000 1.147 320 P CA 0.632 63.821 63.100 0.149 0.000 0.790 320 P CB 0.462 32.236 31.700 0.124 0.000 0.780 321 G N -0.707 108.146 108.800 0.089 0.000 3.126 321 G HA2 0.301 4.261 3.960 -0.000 0.000 0.224 321 G HA3 0.301 4.261 3.960 -0.000 0.000 0.224 321 G C 0.731 175.637 174.900 0.010 0.000 1.142 321 G CA 0.438 45.565 45.100 0.044 0.000 0.759 321 G HN 0.337 nan 8.290 nan 0.000 0.550 322 A N -0.796 122.027 122.820 0.005 0.000 2.791 322 A HA -0.019 4.301 4.320 -0.000 0.000 0.292 322 A C 1.845 179.571 177.584 0.236 0.000 1.487 322 A CA 1.289 53.338 52.037 0.019 0.000 0.760 322 A CB -1.692 17.159 19.000 -0.248 0.000 1.031 322 A HN 1.497 nan 8.150 nan 0.000 0.503 323 A N -1.698 121.229 122.820 0.178 0.000 2.119 323 A HA 0.292 4.612 4.320 -0.000 0.000 0.216 323 A C 0.879 178.649 177.584 0.310 0.000 1.152 323 A CA 1.178 53.332 52.037 0.194 0.000 0.708 323 A CB -0.671 18.401 19.000 0.120 0.000 0.805 323 A HN 1.927 nan 8.150 nan 0.000 0.460 324 W N -0.231 121.116 121.300 0.077 0.000 5.563 324 W HA -0.198 4.462 4.660 -0.000 0.000 0.396 324 W C -0.130 176.413 176.519 0.040 0.000 1.519 324 W CA 0.939 58.323 57.345 0.065 0.000 0.953 324 W CB -1.751 27.740 29.460 0.051 0.000 2.691 324 W HN 0.278 nan 8.180 nan 0.000 1.444 325 K N 1.466 121.953 120.400 0.145 0.000 2.127 325 K HA 0.179 4.499 4.320 -0.000 0.000 0.261 325 K C 0.047 176.691 176.600 0.074 0.000 1.129 325 K CA -0.044 56.307 56.287 0.106 0.000 0.993 325 K CB 0.362 32.909 32.500 0.079 0.000 1.410 325 K HN -0.016 nan 8.250 nan 0.000 0.380 326 D N 2.801 123.256 120.400 0.092 0.000 2.429 326 D HA 0.119 4.759 4.640 -0.000 0.000 0.255 326 D C -1.814 174.505 176.300 0.032 0.000 1.257 326 D CA -1.842 52.181 54.000 0.039 0.000 0.890 326 D CB 1.153 41.959 40.800 0.012 0.000 1.267 326 D HN 0.150 nan 8.370 nan 0.000 0.521 327 P HA 0.043 nan 4.420 nan 0.000 0.237 327 P C 1.157 178.454 177.300 -0.005 0.000 1.178 327 P CA 0.392 63.505 63.100 0.022 0.000 0.766 327 P CB -0.051 31.669 31.700 0.032 0.000 0.876 328 I N -4.906 115.639 120.570 -0.041 0.000 4.025 328 I HA 0.280 4.450 4.170 -0.000 0.000 0.336 328 I C -0.153 175.892 176.117 -0.120 0.000 1.390 328 I CA -0.480 60.776 61.300 -0.073 0.000 1.099 328 I CB -0.281 37.671 38.000 -0.081 0.000 1.049 328 I HN -0.344 nan 8.210 nan 0.000 0.394 329 K N 0.895 121.233 120.400 -0.102 0.000 3.035 329 K HA -0.250 4.070 4.320 -0.000 0.000 0.262 329 K C 0.946 177.427 176.600 -0.198 0.000 1.024 329 K CA 0.929 57.159 56.287 -0.095 0.000 0.748 329 K CB -2.240 30.230 32.500 -0.051 0.000 1.247 329 K HN 0.688 nan 8.250 nan 0.000 0.482 330 A N 0.198 122.778 122.820 -0.399 0.000 2.132 330 A HA 0.067 4.386 4.320 -0.000 0.000 0.213 330 A C 1.040 178.232 177.584 -0.653 0.000 1.154 330 A CA 0.571 52.207 52.037 -0.668 0.000 0.753 330 A CB 0.367 18.614 19.000 -1.256 0.000 0.826 330 A HN 0.268 nan 8.150 nan 0.000 0.469 331 V N 1.517 121.159 119.914 -0.453 0.000 2.644 331 V HA 0.059 4.178 4.120 -0.000 0.000 0.305 331 V C 1.200 177.224 176.094 -0.116 0.000 1.053 331 V CA 1.683 63.853 62.300 -0.216 0.000 1.186 331 V CB 0.923 32.646 31.823 -0.166 0.000 0.895 331 V HN 0.622 nan 8.190 nan 0.000 0.490 332 T N 4.175 118.672 114.554 -0.096 0.000 3.056 332 T HA 0.234 4.584 4.350 -0.000 0.000 0.241 332 T C -0.128 174.475 174.700 -0.162 0.000 1.006 332 T CA 0.322 62.350 62.100 -0.119 0.000 1.115 332 T CB 0.142 68.923 68.868 -0.144 0.000 0.939 332 T HN 0.775 nan 8.240 nan 0.000 0.462 333 D N 1.166 121.407 120.400 -0.266 0.000 2.505 333 D HA 0.499 5.138 4.640 -0.000 0.000 0.250 333 D C -1.113 175.058 176.300 -0.215 0.000 1.164 333 D CA -0.397 53.443 54.000 -0.267 0.000 0.870 333 D CB 1.468 41.980 40.800 -0.481 0.000 1.160 333 D HN 0.019 nan 8.370 nan 0.000 0.549 334 M N 3.705 123.164 119.600 -0.235 0.000 2.080 334 M HA 0.371 4.851 4.480 -0.000 0.000 0.350 334 M C -1.754 174.262 176.300 -0.474 0.000 1.173 334 M CA -0.515 54.525 55.300 -0.432 0.000 1.052 334 M CB 0.560 32.754 32.600 -0.676 0.000 1.577 334 M HN 0.276 nan 8.290 nan 0.000 0.455 335 I N 6.201 126.516 120.570 -0.424 0.000 2.355 335 I HA 0.226 4.396 4.170 -0.000 0.000 0.288 335 I C -0.146 175.785 176.117 -0.310 0.000 0.999 335 I CA -0.328 60.806 61.300 -0.276 0.000 1.163 335 I CB 0.804 38.760 38.000 -0.073 0.000 1.316 335 I HN 0.623 nan 8.210 nan 0.000 0.454 336 H N 4.994 124.073 119.070 0.015 0.000 2.540 336 H HA 0.259 4.814 4.556 -0.000 0.000 0.264 336 H C 0.210 175.576 175.328 0.063 0.000 1.427 336 H CA -0.256 55.806 56.048 0.024 0.000 1.103 336 H CB 0.586 30.366 29.762 0.030 0.000 1.572 336 H HN 0.676 nan 8.280 nan 0.000 0.511 337 C N -1.431 117.975 119.300 0.177 0.000 2.771 337 C HA 0.546 5.006 4.460 -0.000 0.000 0.333 337 C C 0.450 175.572 174.990 0.219 0.000 1.267 337 C CA -1.165 57.980 59.018 0.210 0.000 1.721 337 C CB 1.673 29.605 27.740 0.319 0.000 2.222 337 C HN 0.415 nan 8.230 nan 0.000 0.485 338 D N 0.437 120.984 120.400 0.245 0.000 2.443 338 D HA 0.206 4.846 4.640 -0.000 0.000 0.239 338 D C 0.927 177.380 176.300 0.255 0.000 1.136 338 D CA 0.439 54.574 54.000 0.225 0.000 0.879 338 D CB 0.918 41.843 40.800 0.208 0.000 1.195 338 D HN 0.668 nan 8.370 nan 0.000 0.443 339 E N 1.782 122.106 120.200 0.206 0.000 2.072 339 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 339 E C 1.758 178.430 176.600 0.121 0.000 0.985 339 E CA 0.719 57.265 56.400 0.244 0.000 0.801 339 E CB 0.119 29.962 29.700 0.238 0.000 0.750 339 E HN 0.279 nan 8.360 nan 0.000 0.452 340 R N 0.102 120.634 120.500 0.054 0.000 2.083 340 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 340 R C 2.240 178.553 176.300 0.022 0.000 1.137 340 R CA 1.204 57.296 56.100 -0.013 0.000 0.951 340 R CB -1.011 29.261 30.300 -0.047 0.000 0.851 340 R HN 0.287 nan 8.270 nan 0.000 0.434 341 F N 1.161 121.077 119.950 -0.056 0.000 2.126 341 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 341 F C 2.088 177.896 175.800 0.014 0.000 1.096 341 F CA 1.244 59.229 58.000 -0.024 0.000 1.255 341 F CB -0.380 38.642 39.000 0.038 0.000 0.997 341 F HN -0.032 nan 8.300 nan 0.000 0.479 342 L N 0.226 121.412 121.223 -0.061 0.000 2.046 342 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 342 L C 2.244 179.042 176.870 -0.121 0.000 1.077 342 L CA 1.780 56.548 54.840 -0.120 0.000 0.747 342 L CB -0.848 41.292 42.059 0.134 0.000 0.896 342 L HN 0.308 nan 8.230 nan 0.000 0.432 343 L N -0.570 120.607 121.223 -0.076 0.000 2.056 343 L HA -0.209 4.130 4.340 -0.000 0.000 0.207 343 L C 2.232 178.999 176.870 -0.172 0.000 1.078 343 L CA 1.100 55.859 54.840 -0.135 0.000 0.749 343 L CB -0.593 41.341 42.059 -0.208 0.000 0.901 343 L HN 0.216 nan 8.230 nan 0.000 0.433 344 D N -0.004 120.287 120.400 -0.181 0.000 2.144 344 D HA -0.142 4.497 4.640 -0.000 0.000 0.200 344 D C 2.019 178.195 176.300 -0.207 0.000 0.978 344 D CA 1.090 54.988 54.000 -0.169 0.000 0.833 344 D CB 0.064 40.793 40.800 -0.119 0.000 0.961 344 D HN 0.192 nan 8.370 nan 0.000 0.470 345 I N 0.036 120.403 120.570 -0.337 0.000 2.761 345 I HA -0.026 4.144 4.170 -0.000 0.000 0.261 345 I C 1.984 177.964 176.117 -0.229 0.000 1.198 345 I CA 0.703 61.798 61.300 -0.342 0.000 1.482 345 I CB 0.055 37.676 38.000 -0.632 0.000 1.100 345 I HN -0.098 nan 8.210 nan 0.000 0.445 346 M N -1.286 118.191 119.600 -0.205 0.000 2.435 346 M HA -0.035 4.445 4.480 -0.000 0.000 0.265 346 M C 1.742 177.953 176.300 -0.147 0.000 1.104 346 M CA 0.658 55.863 55.300 -0.158 0.000 1.140 346 M CB -0.043 32.482 32.600 -0.125 0.000 1.372 346 M HN 0.105 nan 8.290 nan 0.000 0.456 347 Q N 0.038 119.749 119.800 -0.147 0.000 2.488 347 Q HA -0.145 4.195 4.340 -0.000 0.000 0.211 347 Q C 1.519 177.453 176.000 -0.109 0.000 0.967 347 Q CA 1.177 56.901 55.803 -0.131 0.000 0.926 347 Q CB 0.248 28.908 28.738 -0.131 0.000 0.992 347 Q HN 0.486 nan 8.270 nan 0.000 0.506 348 Q N -0.227 119.507 119.800 -0.110 0.000 2.388 348 Q HA 0.043 4.383 4.340 -0.000 0.000 0.204 348 Q C 1.030 176.983 176.000 -0.078 0.000 0.946 348 Q CA 1.039 56.790 55.803 -0.086 0.000 0.880 348 Q CB 0.417 29.105 28.738 -0.083 0.000 0.997 348 Q HN 0.196 nan 8.270 nan 0.000 0.552 349 N N -1.223 117.424 118.700 -0.088 0.000 2.388 349 N HA 0.111 4.851 4.740 -0.000 0.000 0.176 349 N C -0.355 175.110 175.510 -0.075 0.000 1.062 349 N CA 0.271 53.277 53.050 -0.072 0.000 0.895 349 N CB 0.336 38.782 38.487 -0.068 0.000 1.018 349 N HN 0.211 nan 8.380 nan 0.000 0.456 350 M N 1.407 120.948 119.600 -0.098 0.000 2.238 350 M HA 0.245 4.725 4.480 -0.000 0.000 0.347 350 M C -2.186 174.059 176.300 -0.092 0.000 1.173 350 M CA -1.710 53.525 55.300 -0.108 0.000 1.147 350 M CB -0.202 32.301 32.600 -0.161 0.000 1.547 350 M HN -0.197 nan 8.290 nan 0.000 0.455 351 P HA 0.133 nan 4.420 nan 0.000 0.271 351 P C -0.417 176.844 177.300 -0.065 0.000 1.220 351 P CA 0.061 63.127 63.100 -0.058 0.000 0.768 351 P CB 0.514 32.190 31.700 -0.040 0.000 0.848 352 D N 0.680 121.048 120.400 -0.053 0.000 2.162 352 D HA -0.125 4.515 4.640 -0.000 0.000 0.203 352 D C 1.000 177.280 176.300 -0.033 0.000 0.967 352 D CA 1.174 55.144 54.000 -0.050 0.000 0.840 352 D CB -0.057 40.717 40.800 -0.043 0.000 0.972 352 D HN 0.393 nan 8.370 nan 0.000 0.482 353 D N 0.469 120.856 120.400 -0.023 0.000 2.277 353 D HA 0.017 4.657 4.640 -0.000 0.000 0.208 353 D C 0.598 176.899 176.300 0.001 0.000 0.962 353 D CA 0.332 54.327 54.000 -0.009 0.000 0.865 353 D CB -0.156 40.640 40.800 -0.006 0.000 0.939 353 D HN 0.079 nan 8.370 nan 0.000 0.510 354 A N 1.293 124.110 122.820 -0.005 0.000 2.545 354 A HA 0.233 4.553 4.320 -0.000 0.000 0.297 354 A C 0.261 177.863 177.584 0.032 0.000 1.340 354 A CA 0.316 52.360 52.037 0.011 0.000 1.016 354 A CB -0.222 18.779 19.000 0.003 0.000 1.122 354 A HN -0.076 nan 8.150 nan 0.000 0.537 355 K N 1.497 121.931 120.400 0.056 0.000 2.523 355 K HA 0.336 4.655 4.320 -0.000 0.000 0.257 355 K C -1.942 174.727 176.600 0.116 0.000 0.932 355 K CA -0.718 55.628 56.287 0.098 0.000 0.812 355 K CB 2.200 34.748 32.500 0.081 0.000 1.326 355 K HN 0.642 nan 8.250 nan 0.000 0.433 356 D N 1.355 121.859 120.400 0.173 0.000 2.308 356 D HA 0.396 5.036 4.640 -0.000 0.000 0.242 356 D C 0.458 176.887 176.300 0.215 0.000 1.059 356 D CA -0.317 53.788 54.000 0.175 0.000 0.830 356 D CB 1.902 42.809 40.800 0.178 0.000 1.161 356 D HN 0.543 nan 8.370 nan 0.000 0.494 357 A N 3.633 126.546 122.820 0.155 0.000 1.873 357 A HA 0.060 4.380 4.320 -0.000 0.000 0.215 357 A C 2.033 179.712 177.584 0.158 0.000 1.186 357 A CA 1.597 53.715 52.037 0.136 0.000 0.616 357 A CB -0.797 18.254 19.000 0.085 0.000 0.823 357 A HN 0.649 nan 8.150 nan 0.000 0.442 358 A N -1.610 121.307 122.820 0.163 0.000 2.070 358 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 358 A C 2.002 179.742 177.584 0.260 0.000 1.159 358 A CA 1.163 53.295 52.037 0.159 0.000 0.656 358 A CB -0.762 18.319 19.000 0.135 0.000 0.800 358 A HN 0.857 nan 8.150 nan 0.000 0.453 359 W N -0.224 121.152 121.300 0.127 0.000 2.413 359 W HA -0.090 4.570 4.660 -0.000 0.000 0.315 359 W C 1.821 178.526 176.519 0.310 0.000 1.186 359 W CA 1.289 58.761 57.345 0.212 0.000 1.326 359 W CB -0.297 29.277 29.460 0.191 0.000 1.153 359 W HN 0.332 nan 8.180 nan 0.000 0.489 360 L N 1.415 122.776 121.223 0.229 0.000 2.056 360 L HA -0.260 4.080 4.340 -0.000 0.000 0.207 360 L C 2.314 179.229 176.870 0.075 0.000 1.078 360 L CA 2.235 57.138 54.840 0.105 0.000 0.749 360 L CB -0.889 41.263 42.059 0.155 0.000 0.901 360 L HN 0.002 nan 8.230 nan 0.000 0.433 361 N N -0.079 118.661 118.700 0.066 0.000 2.166 361 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 361 N C 1.798 177.261 175.510 -0.079 0.000 1.019 361 N CA 1.613 54.663 53.050 0.001 0.000 0.856 361 N CB -0.419 38.071 38.487 0.005 0.000 0.993 361 N HN 0.355 nan 8.380 nan 0.000 0.426 362 G N -0.984 107.766 108.800 -0.083 0.000 2.440 362 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 362 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 362 G C 1.153 175.847 174.900 -0.344 0.000 1.154 362 G CA 0.785 45.743 45.100 -0.237 0.000 0.767 362 G HN 0.424 nan 8.290 nan 0.000 0.552 363 W N 1.342 122.462 121.300 -0.300 0.000 2.409 363 W HA 0.026 4.686 4.660 -0.000 0.000 0.299 363 W C 3.151 179.559 176.519 -0.185 0.000 1.203 363 W CA 1.979 59.175 57.345 -0.249 0.000 1.298 363 W CB -0.500 28.782 29.460 -0.298 0.000 1.127 363 W HN 0.228 nan 8.180 nan 0.000 0.528 364 T N -3.554 111.031 114.554 0.053 0.000 2.995 364 T HA -0.064 4.286 4.350 -0.000 0.000 0.269 364 T C 1.734 176.371 174.700 -0.105 0.000 1.091 364 T CA 1.243 63.346 62.100 0.006 0.000 1.128 364 T CB -0.505 68.373 68.868 0.016 0.000 0.891 364 T HN -0.086 nan 8.240 nan 0.000 0.492 365 S N 1.193 116.748 115.700 -0.243 0.000 2.348 365 S HA -0.046 4.423 4.470 -0.000 0.000 0.221 365 S C 1.651 176.000 174.600 -0.419 0.000 1.033 365 S CA 1.185 59.158 58.200 -0.379 0.000 1.010 365 S CB -0.598 62.250 63.200 -0.587 0.000 0.891 365 S HN 0.716 nan 8.310 nan 0.000 0.442 366 Y N 1.529 121.596 120.300 -0.389 0.000 2.373 366 Y HA -0.017 4.533 4.550 -0.000 0.000 0.293 366 Y C 2.493 178.158 175.900 -0.392 0.000 1.129 366 Y CA 0.583 58.330 58.100 -0.588 0.000 1.226 366 Y CB -0.290 37.408 38.460 -1.270 0.000 1.000 366 Y HN 0.235 nan 8.280 nan 0.000 0.549 367 N N 0.773 119.433 118.700 -0.066 0.000 2.106 367 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 367 N C 1.499 177.050 175.510 0.069 0.000 1.029 367 N CA 1.488 54.620 53.050 0.137 0.000 0.848 367 N CB -0.029 38.561 38.487 0.172 0.000 1.007 367 N HN 0.129 nan 8.380 nan 0.000 0.423 368 K N -0.631 119.771 120.400 0.002 0.000 2.103 368 K HA 0.060 4.380 4.320 -0.000 0.000 0.204 368 K C 1.856 178.448 176.600 -0.014 0.000 1.052 368 K CA 0.517 56.798 56.287 -0.010 0.000 0.945 368 K CB -0.044 32.437 32.500 -0.032 0.000 0.722 368 K HN -0.027 nan 8.250 nan 0.000 0.443 369 V N 1.170 121.067 119.914 -0.029 0.000 2.295 369 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 369 V C 2.200 178.305 176.094 0.018 0.000 1.049 369 V CA 2.192 64.482 62.300 -0.015 0.000 1.024 369 V CB -0.529 31.279 31.823 -0.026 0.000 0.648 369 V HN 0.384 nan 8.190 nan 0.000 0.447 370 A N -0.828 122.023 122.820 0.053 0.000 2.014 370 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 370 A C 2.348 179.948 177.584 0.027 0.000 1.163 370 A CA 1.238 53.316 52.037 0.068 0.000 0.652 370 A CB -0.443 18.657 19.000 0.167 0.000 0.808 370 A HN 0.475 nan 8.150 nan 0.000 0.449 371 R N -0.413 120.101 120.500 0.024 0.000 2.115 371 R HA -0.074 4.266 4.340 -0.000 0.000 0.230 371 R C 1.808 178.107 176.300 -0.003 0.000 1.111 371 R CA 1.157 57.258 56.100 0.003 0.000 0.976 371 R CB -0.110 30.192 30.300 0.003 0.000 0.870 371 R HN 0.506 nan 8.270 nan 0.000 0.445 372 E N 0.695 120.894 120.200 -0.001 0.000 2.077 372 E HA -0.169 4.180 4.350 -0.000 0.000 0.193 372 E C 2.038 178.640 176.600 0.003 0.000 0.989 372 E CA 0.898 57.296 56.400 -0.004 0.000 0.800 372 E CB -0.074 29.622 29.700 -0.007 0.000 0.746 372 E HN 0.276 nan 8.360 nan 0.000 0.452 373 I N 0.912 121.486 120.570 0.006 0.000 2.226 373 I HA -0.199 3.970 4.170 -0.000 0.000 0.245 373 I C 2.538 178.668 176.117 0.021 0.000 1.100 373 I CA 0.880 62.187 61.300 0.011 0.000 1.374 373 I CB -1.277 36.729 38.000 0.009 0.000 1.057 373 I HN -0.063 nan 8.210 nan 0.000 0.413 374 V N 0.976 120.898 119.914 0.014 0.000 2.358 374 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 374 V C 2.604 178.736 176.094 0.063 0.000 1.047 374 V CA 1.315 63.642 62.300 0.045 0.000 1.035 374 V CB -0.491 31.326 31.823 -0.010 0.000 0.658 374 V HN 0.313 nan 8.190 nan 0.000 0.452 375 L N 0.075 121.314 121.223 0.026 0.000 2.141 375 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 375 L C 2.633 179.510 176.870 0.012 0.000 1.094 375 L CA 1.404 56.251 54.840 0.012 0.000 0.763 375 L CB -0.642 41.414 42.059 -0.006 0.000 0.908 375 L HN 0.360 nan 8.230 nan 0.000 0.437 376 A N -0.486 122.342 122.820 0.014 0.000 1.968 376 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 376 A C 2.117 179.713 177.584 0.020 0.000 1.169 376 A CA 1.280 53.324 52.037 0.011 0.000 0.638 376 A CB -0.253 18.753 19.000 0.009 0.000 0.812 376 A HN 0.300 nan 8.150 nan 0.000 0.446 377 E N -1.142 119.081 120.200 0.039 0.000 2.150 377 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 377 E C 1.492 178.111 176.600 0.032 0.000 0.985 377 E CA 1.060 57.491 56.400 0.052 0.000 0.814 377 E CB -0.138 29.627 29.700 0.108 0.000 0.752 377 E HN 0.513 nan 8.360 nan 0.000 0.466 378 M N -1.038 118.581 119.600 0.031 0.000 2.494 378 M HA 0.206 4.686 4.480 -0.000 0.000 0.232 378 M C 1.154 177.448 176.300 -0.010 0.000 1.137 378 M CA 0.135 55.435 55.300 0.000 0.000 1.012 378 M CB 0.717 33.319 32.600 0.003 0.000 1.567 378 M HN 0.125 nan 8.290 nan 0.000 0.486 379 A N 0.648 123.466 122.820 -0.004 0.000 1.973 379 A HA 0.107 4.427 4.320 -0.000 0.000 0.210 379 A C 1.288 178.866 177.584 -0.010 0.000 1.200 379 A CA 0.687 52.718 52.037 -0.010 0.000 0.707 379 A CB -0.161 18.835 19.000 -0.007 0.000 0.862 379 A HN 0.601 nan 8.150 nan 0.000 0.461 380 N N 0.515 119.211 118.700 -0.007 0.000 2.401 380 N HA 0.039 4.779 4.740 -0.000 0.000 0.264 380 N C -0.704 174.800 175.510 -0.010 0.000 1.238 380 N CA 0.449 53.494 53.050 -0.007 0.000 0.889 380 N CB 0.413 38.898 38.487 -0.004 0.000 1.196 380 N HN 0.233 nan 8.380 nan 0.000 0.511 381 T N -1.980 112.564 114.554 -0.016 0.000 2.934 381 T HA 0.216 4.566 4.350 -0.000 0.000 0.328 381 T C 1.050 175.733 174.700 -0.027 0.000 1.068 381 T CA -0.598 61.489 62.100 -0.022 0.000 1.018 381 T CB 1.142 69.992 68.868 -0.029 0.000 1.009 381 T HN 0.126 nan 8.240 nan 0.000 0.471 382 T N 0.697 115.237 114.554 -0.023 0.000 3.067 382 T HA 0.219 4.569 4.350 -0.000 0.000 0.261 382 T C 0.906 175.590 174.700 -0.026 0.000 1.110 382 T CA -0.026 62.059 62.100 -0.024 0.000 1.113 382 T CB -0.576 68.281 68.868 -0.019 0.000 0.917 382 T HN 0.705 nan 8.240 nan 0.000 0.499 383 I N 1.773 122.327 120.570 -0.026 0.000 2.529 383 I HA 0.206 4.376 4.170 -0.000 0.000 0.284 383 I C 0.338 176.432 176.117 -0.039 0.000 1.082 383 I CA -0.754 60.529 61.300 -0.027 0.000 1.406 383 I CB 0.713 38.700 38.000 -0.022 0.000 1.405 383 I HN 0.040 nan 8.210 nan 0.000 0.548 384 L N 6.355 127.555 121.223 -0.037 0.000 2.505 384 L HA 0.109 4.448 4.340 -0.000 0.000 0.279 384 L C 0.826 177.663 176.870 -0.055 0.000 1.211 384 L CA 0.343 55.154 54.840 -0.048 0.000 1.059 384 L CB -0.497 41.539 42.059 -0.039 0.000 1.340 384 L HN 0.676 nan 8.230 nan 0.000 0.447 385 E N 1.871 122.022 120.200 -0.080 0.000 2.371 385 E HA 0.021 4.370 4.350 -0.000 0.000 0.257 385 E C 0.640 177.166 176.600 -0.124 0.000 1.134 385 E CA -0.374 55.968 56.400 -0.097 0.000 0.919 385 E CB 0.940 30.564 29.700 -0.127 0.000 1.025 385 E HN 0.522 nan 8.360 nan 0.000 0.438 386 E N 1.388 121.521 120.200 -0.111 0.000 2.118 386 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 386 E C 1.565 178.057 176.600 -0.180 0.000 0.992 386 E CA 1.190 57.531 56.400 -0.099 0.000 0.804 386 E CB -0.098 29.574 29.700 -0.046 0.000 0.741 386 E HN 0.733 nan 8.360 nan 0.000 0.458 387 G N 0.723 109.284 108.800 -0.398 0.000 2.572 387 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.216 387 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.216 387 G C 1.526 176.057 174.900 -0.614 0.000 1.133 387 G CA -0.007 44.577 45.100 -0.859 0.000 0.791 387 G HN -0.035 nan 8.290 nan 0.000 0.538 388 K N 0.378 120.557 120.400 -0.367 0.000 2.228 388 K HA 0.142 4.461 4.320 -0.000 0.000 0.202 388 K C 2.363 178.889 176.600 -0.123 0.000 1.051 388 K CA 0.214 56.376 56.287 -0.208 0.000 0.960 388 K CB -0.159 32.252 32.500 -0.150 0.000 0.743 388 K HN 0.375 nan 8.250 nan 0.000 0.458 389 I N 0.492 120.999 120.570 -0.105 0.000 2.179 389 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 389 I C 2.248 178.353 176.117 -0.019 0.000 1.088 389 I CA 0.838 62.107 61.300 -0.051 0.000 1.357 389 I CB -0.330 37.649 38.000 -0.035 0.000 1.051 389 I HN -0.172 nan 8.210 nan 0.000 0.409 390 V N 1.109 121.020 119.914 -0.005 0.000 2.287 390 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 390 V C 2.733 178.866 176.094 0.065 0.000 1.053 390 V CA 2.156 64.508 62.300 0.087 0.000 1.027 390 V CB -1.092 30.825 31.823 0.156 0.000 0.646 390 V HN 0.519 nan 8.190 nan 0.000 0.447 391 A N -0.816 122.004 122.820 0.000 0.000 1.933 391 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 391 A C 2.210 179.745 177.584 -0.081 0.000 1.175 391 A CA 1.528 53.534 52.037 -0.051 0.000 0.628 391 A CB -0.390 18.590 19.000 -0.033 0.000 0.814 391 A HN 0.505 nan 8.150 nan 0.000 0.444 392 E N -0.610 119.553 120.200 -0.061 0.000 2.150 392 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 392 E C 1.877 178.440 176.600 -0.062 0.000 0.985 392 E CA 0.713 57.077 56.400 -0.061 0.000 0.814 392 E CB -0.306 29.364 29.700 -0.050 0.000 0.752 392 E HN 0.472 nan 8.360 nan 0.000 0.466 393 L N 1.033 122.234 121.223 -0.038 0.000 2.109 393 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 393 L C 2.455 179.291 176.870 -0.056 0.000 1.086 393 L CA 1.385 56.202 54.840 -0.038 0.000 0.760 393 L CB -0.378 41.695 42.059 0.023 0.000 0.910 393 L HN -0.036 nan 8.230 nan 0.000 0.437 394 R N -0.810 119.642 120.500 -0.080 0.000 2.091 394 R HA -0.206 4.134 4.340 -0.000 0.000 0.238 394 R C 2.502 178.671 176.300 -0.219 0.000 1.136 394 R CA 1.739 57.675 56.100 -0.273 0.000 0.959 394 R CB -0.150 29.741 30.300 -0.682 0.000 0.856 394 R HN 0.292 nan 8.270 nan 0.000 0.437 395 R N -0.257 120.142 120.500 -0.168 0.000 2.062 395 R HA -0.067 4.272 4.340 -0.000 0.000 0.226 395 R C 1.845 178.081 176.300 -0.106 0.000 1.125 395 R CA 0.970 56.992 56.100 -0.131 0.000 0.966 395 R CB -0.081 30.156 30.300 -0.106 0.000 0.861 395 R HN 0.154 nan 8.270 nan 0.000 0.433 396 L N 1.101 122.263 121.223 -0.103 0.000 2.376 396 L HA 0.097 4.437 4.340 -0.000 0.000 0.219 396 L C 0.595 177.392 176.870 -0.122 0.000 1.133 396 L CA 0.906 55.692 54.840 -0.089 0.000 0.816 396 L CB -0.484 41.534 42.059 -0.068 0.000 0.933 396 L HN 0.155 nan 8.230 nan 0.000 0.449 397 L N 0.679 121.792 121.223 -0.185 0.000 2.456 397 L HA 0.103 4.443 4.340 -0.000 0.000 0.272 397 L C -1.696 175.098 176.870 -0.126 0.000 1.189 397 L CA -1.509 53.178 54.840 -0.255 0.000 0.846 397 L CB 0.216 42.108 42.059 -0.278 0.000 1.111 397 L HN -0.028 nan 8.230 nan 0.000 0.475 398 P HA 0.007 nan 4.420 nan 0.000 0.271 398 P C -0.076 177.213 177.300 -0.019 0.000 1.244 398 P CA -0.318 62.773 63.100 -0.015 0.000 0.793 398 P CB 0.503 32.228 31.700 0.042 0.000 0.984 399 D N 0.110 120.506 120.400 -0.006 0.000 2.310 399 D HA -0.086 4.554 4.640 -0.000 0.000 0.212 399 D C 0.213 176.513 176.300 0.001 0.000 0.965 399 D CA 1.549 55.542 54.000 -0.011 0.000 0.879 399 D CB 0.245 41.040 40.800 -0.010 0.000 0.921 399 D HN 0.349 nan 8.370 nan 0.000 0.510 400 K N 0.109 120.523 120.400 0.023 0.000 2.656 400 K HA 0.575 4.895 4.320 -0.000 0.000 0.241 400 K C -1.291 175.352 176.600 0.072 0.000 0.967 400 K CA -0.263 56.050 56.287 0.044 0.000 0.946 400 K CB 2.392 34.930 32.500 0.064 0.000 1.164 400 K HN -0.086 nan 8.250 nan 0.000 0.459 401 A N 1.443 124.292 122.820 0.049 0.000 2.593 401 A HA 0.874 5.194 4.320 -0.000 0.000 0.290 401 A C -0.932 176.675 177.584 0.038 0.000 1.126 401 A CA -0.758 51.333 52.037 0.090 0.000 0.695 401 A CB 1.723 20.762 19.000 0.065 0.000 1.290 401 A HN 0.595 nan 8.150 nan 0.000 0.414 402 G N -0.759 108.114 108.800 0.122 0.000 2.452 402 G HA2 0.643 4.603 3.960 -0.000 0.000 0.324 402 G HA3 0.643 4.603 3.960 -0.000 0.000 0.324 402 G C -1.613 173.366 174.900 0.131 0.000 1.214 402 G CA -0.403 44.727 45.100 0.049 0.000 0.947 402 G HN 1.303 nan 8.290 nan 0.000 0.478 403 L N 1.861 123.105 121.223 0.034 0.000 2.446 403 L HA 0.655 4.995 4.340 -0.000 0.000 0.268 403 L C -1.567 175.333 176.870 0.050 0.000 0.975 403 L CA -0.881 54.007 54.840 0.080 0.000 0.848 403 L CB 1.359 43.402 42.059 -0.025 0.000 1.225 403 L HN 0.434 nan 8.230 nan 0.000 0.410 404 F N 5.519 125.487 119.950 0.030 0.000 2.404 404 F HA 0.630 5.157 4.527 -0.000 0.000 0.345 404 F C -0.121 175.682 175.800 0.005 0.000 1.110 404 F CA -0.192 57.813 58.000 0.008 0.000 1.130 404 F CB 0.867 39.881 39.000 0.022 0.000 1.129 404 F HN 0.359 nan 8.300 nan 0.000 0.500 405 I N 4.914 125.466 120.570 -0.029 0.000 2.404 405 I HA 0.409 4.579 4.170 -0.000 0.000 0.293 405 I C 0.604 176.794 176.117 0.122 0.000 0.992 405 I CA -0.773 60.545 61.300 0.031 0.000 1.149 405 I CB 1.481 39.427 38.000 -0.090 0.000 1.315 405 I HN 0.643 nan 8.210 nan 0.000 0.446 406 G N 2.954 111.841 108.800 0.145 0.000 2.606 406 G HA2 0.070 4.030 3.960 -0.000 0.000 0.252 406 G HA3 0.070 4.030 3.960 -0.000 0.000 0.252 406 G C 0.434 175.380 174.900 0.077 0.000 1.206 406 G CA -0.385 44.794 45.100 0.133 0.000 0.861 406 G HN 0.694 nan 8.290 nan 0.000 0.561 407 N N -0.504 118.238 118.700 0.069 0.000 2.336 407 N HA -0.001 4.738 4.740 -0.000 0.000 0.189 407 N C 1.686 177.222 175.510 0.044 0.000 1.113 407 N CA 0.265 53.344 53.050 0.048 0.000 0.858 407 N CB 0.684 39.197 38.487 0.044 0.000 0.970 407 N HN 0.387 nan 8.380 nan 0.000 0.471 408 S N 0.178 115.908 115.700 0.051 0.000 2.343 408 S HA 0.161 4.631 4.470 -0.000 0.000 0.155 408 S C 1.607 176.236 174.600 0.048 0.000 1.261 408 S CA 0.267 58.498 58.200 0.052 0.000 2.081 408 S CB 0.171 63.407 63.200 0.061 0.000 0.460 408 S HN -0.071 nan 8.310 nan 0.000 0.370 409 M N 1.352 120.983 119.600 0.051 0.000 2.388 409 M HA 0.146 4.626 4.480 -0.000 0.000 0.265 409 M C -1.119 175.212 176.300 0.051 0.000 1.088 409 M CA 0.564 55.894 55.300 0.050 0.000 1.134 409 M CB -2.359 30.271 32.600 0.050 0.000 1.384 409 M HN 0.302 nan 8.290 nan 0.000 0.447 410 P HA -0.136 nan 4.420 nan 0.000 0.216 410 P C 1.472 178.793 177.300 0.034 0.000 1.150 410 P CA 1.311 64.439 63.100 0.046 0.000 0.843 410 P CB -0.428 31.302 31.700 0.049 0.000 0.787 411 I N -2.923 117.661 120.570 0.024 0.000 2.439 411 I HA -0.112 4.058 4.170 -0.000 0.000 0.251 411 I C 2.297 178.423 176.117 0.015 0.000 1.139 411 I CA 1.354 62.656 61.300 0.003 0.000 1.438 411 I CB -0.740 37.259 38.000 -0.002 0.000 1.085 411 I HN -0.227 nan 8.210 nan 0.000 0.427 412 R N 1.056 121.576 120.500 0.033 0.000 2.073 412 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 412 R C 1.690 178.027 176.300 0.061 0.000 1.120 412 R CA 1.533 57.654 56.100 0.036 0.000 0.967 412 R CB -0.356 29.970 30.300 0.043 0.000 0.862 412 R HN 0.409 nan 8.270 nan 0.000 0.436 413 D N 0.080 120.543 120.400 0.106 0.000 2.234 413 D HA -0.084 4.555 4.640 -0.000 0.000 0.205 413 D C 1.714 178.152 176.300 0.230 0.000 0.962 413 D CA 0.658 54.789 54.000 0.219 0.000 0.855 413 D CB 0.083 40.984 40.800 0.170 0.000 0.951 413 D HN -0.014 nan 8.370 nan 0.000 0.500 414 V N 0.924 120.909 119.914 0.118 0.000 2.871 414 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 414 V C 1.641 177.773 176.094 0.063 0.000 1.082 414 V CA 1.369 63.729 62.300 0.100 0.000 1.105 414 V CB 0.111 31.920 31.823 -0.024 0.000 0.713 414 V HN -0.040 nan 8.190 nan 0.000 0.473 415 D N -0.924 119.480 120.400 0.007 0.000 2.234 415 D HA -0.076 4.564 4.640 -0.000 0.000 0.205 415 D C 2.026 178.237 176.300 -0.148 0.000 0.962 415 D CA 1.574 55.534 54.000 -0.068 0.000 0.855 415 D CB 0.250 41.007 40.800 -0.072 0.000 0.951 415 D HN 0.478 nan 8.370 nan 0.000 0.500 416 T N -1.561 112.905 114.554 -0.145 0.000 3.021 416 T HA 0.008 4.358 4.350 -0.000 0.000 0.245 416 T C 0.949 175.406 174.700 -0.405 0.000 1.028 416 T CA 0.508 62.385 62.100 -0.373 0.000 1.139 416 T CB -0.170 68.349 68.868 -0.582 0.000 0.884 416 T HN 0.141 nan 8.240 nan 0.000 0.457 417 Y N -0.281 120.027 120.300 0.014 0.000 2.507 417 Y HA 0.485 5.034 4.550 -0.000 0.000 0.254 417 Y C 0.031 175.962 175.900 0.052 0.000 1.171 417 Y CA -1.281 56.830 58.100 0.018 0.000 1.238 417 Y CB 0.263 38.731 38.460 0.013 0.000 1.148 417 Y HN 0.141 nan 8.280 nan 0.000 0.525 418 F N 1.938 121.908 119.950 0.033 0.000 2.359 418 F HA 0.382 4.909 4.527 -0.000 0.000 0.370 418 F C 0.555 176.337 175.800 -0.030 0.000 1.077 418 F CA -1.221 56.780 58.000 0.002 0.000 1.136 418 F CB 0.308 39.304 39.000 -0.007 0.000 1.387 418 F HN -0.076 nan 8.300 nan 0.000 0.468 419 S N 3.187 118.874 115.700 -0.022 0.000 2.661 419 S HA 0.242 4.711 4.470 -0.000 0.000 0.265 419 S C -0.080 174.516 174.600 -0.006 0.000 1.225 419 S CA -0.866 57.334 58.200 0.000 0.000 0.986 419 S CB 0.932 64.106 63.200 -0.045 0.000 1.008 419 S HN 0.728 nan 8.310 nan 0.000 0.565 420 Q N 0.007 119.824 119.800 0.028 0.000 2.311 420 Q HA 0.373 4.713 4.340 -0.000 0.000 0.272 420 Q C -1.037 174.925 176.000 -0.063 0.000 1.012 420 Q CA -0.088 55.736 55.803 0.035 0.000 0.891 420 Q CB 0.350 29.118 28.738 0.049 0.000 1.201 420 Q HN 0.634 nan 8.270 nan 0.000 0.391 421 I N 2.537 123.066 120.570 -0.068 0.000 2.910 421 I HA 0.125 4.295 4.170 -0.000 0.000 0.310 421 I C -0.034 176.000 176.117 -0.137 0.000 1.043 421 I CA -0.519 60.706 61.300 -0.125 0.000 1.053 421 I CB 1.669 39.569 38.000 -0.167 0.000 1.242 421 I HN 0.721 nan 8.210 nan 0.000 0.452 422 D N 4.402 124.715 120.400 -0.145 0.000 2.434 422 D HA 0.073 4.713 4.640 -0.000 0.000 0.232 422 D C -0.410 175.804 176.300 -0.144 0.000 1.166 422 D CA -0.022 53.873 54.000 -0.175 0.000 0.830 422 D CB -0.134 40.580 40.800 -0.142 0.000 0.960 422 D HN 0.314 nan 8.370 nan 0.000 0.497 423 K N 0.288 120.619 120.400 -0.114 0.000 2.203 423 K HA 0.388 4.708 4.320 -0.000 0.000 0.251 423 K C -0.483 176.082 176.600 -0.059 0.000 0.944 423 K CA -0.989 55.254 56.287 -0.075 0.000 0.829 423 K CB 1.842 34.310 32.500 -0.053 0.000 1.125 423 K HN -0.235 nan 8.250 nan 0.000 0.430 424 K N 2.315 122.691 120.400 -0.040 0.000 2.262 424 K HA 0.277 4.596 4.320 -0.000 0.000 0.288 424 K C -0.626 175.956 176.600 -0.030 0.000 1.090 424 K CA 0.245 56.519 56.287 -0.022 0.000 0.918 424 K CB -0.026 32.473 32.500 -0.002 0.000 1.139 424 K HN 0.363 nan 8.250 nan 0.000 0.462 425 I N 2.847 123.393 120.570 -0.039 0.000 2.410 425 I HA 0.182 4.352 4.170 -0.000 0.000 0.286 425 I C -0.034 175.985 176.117 -0.163 0.000 1.009 425 I CA -0.968 60.285 61.300 -0.078 0.000 1.111 425 I CB 1.376 39.365 38.000 -0.020 0.000 1.262 425 I HN 0.213 nan 8.210 nan 0.000 0.443 426 K N 7.420 127.648 120.400 -0.287 0.000 2.349 426 K HA 0.418 4.738 4.320 -0.000 0.000 0.289 426 K C -0.751 175.656 176.600 -0.322 0.000 1.064 426 K CA 0.002 56.034 56.287 -0.425 0.000 0.947 426 K CB 0.800 32.724 32.500 -0.960 0.000 1.007 426 K HN 0.576 nan 8.250 nan 0.000 0.478 427 M N 5.016 124.446 119.600 -0.282 0.000 2.268 427 M HA 0.420 4.900 4.480 -0.000 0.000 0.344 427 M C -0.612 175.508 176.300 -0.300 0.000 1.106 427 M CA -0.533 54.598 55.300 -0.282 0.000 1.010 427 M CB 1.225 33.638 32.600 -0.312 0.000 1.649 427 M HN 0.240 nan 8.290 nan 0.000 0.443 428 L N 2.499 123.483 121.223 -0.398 0.000 2.388 428 L HA 1.035 5.375 4.340 -0.000 0.000 0.264 428 L C -0.822 175.409 176.870 -1.065 0.000 0.998 428 L CA -0.713 53.775 54.840 -0.587 0.000 0.817 428 L CB 2.269 44.038 42.059 -0.483 0.000 1.338 428 L HN 0.809 nan 8.230 nan 0.000 0.414 429 A N 1.247 123.563 122.820 -0.839 0.000 2.594 429 A HA 0.565 4.885 4.320 -0.000 0.000 0.296 429 A C -1.616 175.844 177.584 -0.206 0.000 1.061 429 A CA -0.805 50.837 52.037 -0.658 0.000 0.689 429 A CB 1.311 20.120 19.000 -0.317 0.000 1.280 429 A HN 0.612 nan 8.150 nan 0.000 0.406 430 N N 1.902 120.640 118.700 0.062 0.000 2.421 430 N HA 0.209 4.949 4.740 -0.000 0.000 0.260 430 N C 0.190 175.739 175.510 0.067 0.000 1.173 430 N CA -0.052 53.079 53.050 0.134 0.000 0.960 430 N CB 0.662 39.294 38.487 0.240 0.000 1.273 430 N HN 0.485 nan 8.380 nan 0.000 0.497 431 R N 0.860 121.381 120.500 0.035 0.000 2.508 431 R HA 0.196 4.535 4.340 -0.000 0.000 0.300 431 R C 1.469 177.793 176.300 0.040 0.000 0.970 431 R CA -0.193 55.923 56.100 0.026 0.000 1.102 431 R CB 0.323 30.624 30.300 0.001 0.000 1.246 431 R HN 0.489 nan 8.270 nan 0.000 0.539 432 G N 0.600 109.430 108.800 0.050 0.000 2.607 432 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 432 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 432 G C 1.001 175.933 174.900 0.054 0.000 1.275 432 G CA 0.763 45.894 45.100 0.052 0.000 0.842 432 G HN 0.296 nan 8.290 nan 0.000 0.555 433 A N -0.379 122.474 122.820 0.056 0.000 2.345 433 A HA 0.300 4.620 4.320 -0.000 0.000 0.225 433 A C 1.216 178.830 177.584 0.050 0.000 1.243 433 A CA 0.734 52.801 52.037 0.050 0.000 0.875 433 A CB -0.334 18.689 19.000 0.039 0.000 0.929 433 A HN 0.451 nan 8.150 nan 0.000 0.502 434 N N -0.591 118.143 118.700 0.057 0.000 1.241 434 N HA -0.265 4.475 4.740 -0.000 0.000 0.135 434 N C 0.722 176.263 175.510 0.052 0.000 0.723 434 N CA 2.316 55.398 53.050 0.054 0.000 0.950 434 N CB -1.466 37.046 38.487 0.043 0.000 1.215 434 N HN 1.721 nan 8.380 nan 0.000 0.520 435 G N 0.058 108.875 108.800 0.029 0.000 2.705 435 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.686 435 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.686 435 G C 0.516 175.388 174.900 -0.048 0.000 1.285 435 G CA 0.099 45.197 45.100 -0.004 0.000 0.800 435 G HN 1.088 nan 8.290 nan 0.000 0.611 436 I N -1.814 118.695 120.570 -0.102 0.000 3.875 436 I HA 0.322 4.492 4.170 -0.000 0.000 0.329 436 I C 0.286 176.181 176.117 -0.370 0.000 1.295 436 I CA 0.108 61.328 61.300 -0.133 0.000 1.129 436 I CB 0.017 38.005 38.000 -0.020 0.000 1.008 436 I HN 0.474 nan 8.210 nan 0.000 0.413 437 D N 1.037 121.119 120.400 -0.530 0.000 2.181 437 D HA 0.370 5.010 4.640 -0.000 0.000 0.248 437 D C 1.023 176.744 176.300 -0.965 0.000 1.020 437 D CA -0.248 53.252 54.000 -0.834 0.000 0.891 437 D CB 1.601 41.957 40.800 -0.739 0.000 1.187 437 D HN 0.210 nan 8.370 nan 0.000 0.443 438 G N 0.415 108.594 108.800 -1.034 0.000 2.166 438 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 438 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 438 G C 0.812 175.228 174.900 -0.806 0.000 0.986 438 G CA 0.484 44.726 45.100 -1.430 0.000 0.683 438 G HN 0.788 nan 8.290 nan 0.000 0.527 439 V N -0.314 119.296 119.914 -0.506 0.000 2.548 439 V HA -0.054 4.066 4.120 -0.000 0.000 0.249 439 V C 2.614 178.456 176.094 -0.420 0.000 1.055 439 V CA 2.565 64.650 62.300 -0.358 0.000 1.065 439 V CB -0.023 31.721 31.823 -0.130 0.000 0.681 439 V HN 0.381 nan 8.190 nan 0.000 0.462 440 V N 0.449 120.186 119.914 -0.295 0.000 2.261 440 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 440 V C 2.723 178.691 176.094 -0.209 0.000 1.047 440 V CA 2.532 64.693 62.300 -0.232 0.000 1.015 440 V CB -0.923 30.761 31.823 -0.232 0.000 0.642 440 V HN 0.628 nan 8.190 nan 0.000 0.446 441 S N 0.131 115.741 115.700 -0.150 0.000 2.399 441 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 441 S C 2.175 176.757 174.600 -0.031 0.000 1.022 441 S CA 1.647 59.860 58.200 0.021 0.000 0.983 441 S CB -0.318 62.959 63.200 0.129 0.000 0.803 441 S HN 0.594 nan 8.310 nan 0.000 0.480 442 S N 1.575 117.154 115.700 -0.201 0.000 2.402 442 S HA 0.025 4.495 4.470 -0.000 0.000 0.229 442 S C 2.236 176.505 174.600 -0.552 0.000 1.021 442 S CA 0.859 58.868 58.200 -0.319 0.000 0.974 442 S CB -0.396 62.605 63.200 -0.332 0.000 0.800 442 S HN 0.621 nan 8.310 nan 0.000 0.484 443 A N 1.552 123.936 122.820 -0.725 0.000 1.898 443 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 443 A C 1.965 179.444 177.584 -0.175 0.000 1.181 443 A CA 0.948 52.708 52.037 -0.462 0.000 0.620 443 A CB -0.554 18.234 19.000 -0.353 0.000 0.819 443 A HN 0.362 nan 8.150 nan 0.000 0.442 444 L N -0.129 121.018 121.223 -0.127 0.000 2.083 444 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 444 L C 2.662 179.406 176.870 -0.209 0.000 1.083 444 L CA 1.998 56.835 54.840 -0.004 0.000 0.752 444 L CB -1.923 40.264 42.059 0.213 0.000 0.899 444 L HN 0.440 nan 8.230 nan 0.000 0.433 445 G N -0.975 107.473 108.800 -0.586 0.000 2.402 445 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.216 445 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.216 445 G C 1.630 176.224 174.900 -0.511 0.000 1.162 445 G CA 0.778 45.209 45.100 -1.114 0.000 0.777 445 G HN 0.485 nan 8.290 nan 0.000 0.539 446 A N 1.036 123.722 122.820 -0.224 0.000 2.119 446 A HA 0.112 4.432 4.320 -0.000 0.000 0.217 446 A C 2.584 180.185 177.584 0.028 0.000 1.153 446 A CA 1.961 53.993 52.037 -0.008 0.000 0.692 446 A CB -0.460 18.658 19.000 0.196 0.000 0.799 446 A HN 0.687 nan 8.150 nan 0.000 0.458 447 S N -0.505 115.177 115.700 -0.030 0.000 2.515 447 S HA -0.042 4.428 4.470 -0.000 0.000 0.231 447 S C 1.543 176.131 174.600 -0.020 0.000 0.987 447 S CA 1.090 59.298 58.200 0.014 0.000 0.936 447 S CB -0.501 62.706 63.200 0.013 0.000 0.766 447 S HN 0.218 nan 8.310 nan 0.000 0.528 448 V N 1.197 121.054 119.914 -0.095 0.000 2.548 448 V HA -0.056 4.064 4.120 -0.000 0.000 0.249 448 V C 2.471 178.499 176.094 -0.110 0.000 1.055 448 V CA 1.385 63.632 62.300 -0.087 0.000 1.065 448 V CB -0.515 31.218 31.823 -0.150 0.000 0.681 448 V HN 0.495 nan 8.190 nan 0.000 0.462 449 V N -2.037 117.772 119.914 -0.174 0.000 2.403 449 V HA 0.137 4.257 4.120 -0.000 0.000 0.239 449 V C 0.707 176.530 176.094 -0.452 0.000 1.041 449 V CA 0.809 62.884 62.300 -0.375 0.000 1.051 449 V CB -0.283 31.213 31.823 -0.545 0.000 0.704 449 V HN 0.352 nan 8.190 nan 0.000 0.472 450 F N 0.926 120.881 119.950 0.008 0.000 2.420 450 F HA 0.675 5.202 4.527 -0.000 0.000 0.342 450 F C 0.246 176.072 175.800 0.043 0.000 1.113 450 F CA -0.372 57.645 58.000 0.029 0.000 1.059 450 F CB 1.128 40.151 39.000 0.039 0.000 1.128 450 F HN 0.012 nan 8.300 nan 0.000 0.475 451 Q N 3.996 123.928 119.800 0.220 0.000 2.331 451 Q HA 0.370 4.710 4.340 -0.000 0.000 0.272 451 Q C -2.637 173.463 176.000 0.167 0.000 1.062 451 Q CA -1.989 53.907 55.803 0.155 0.000 0.806 451 Q CB 2.675 31.463 28.738 0.083 0.000 1.312 451 Q HN 0.326 nan 8.270 nan 0.000 0.431 452 P HA 0.281 nan 4.420 nan 0.000 0.279 452 P C -0.540 176.934 177.300 0.289 0.000 1.239 452 P CA -0.426 62.796 63.100 0.202 0.000 0.789 452 P CB 0.788 32.651 31.700 0.272 0.000 0.933 453 M N 3.090 122.787 119.600 0.162 0.000 2.209 453 M HA 0.382 4.862 4.480 -0.000 0.000 0.355 453 M C -0.668 175.690 176.300 0.097 0.000 1.171 453 M CA -0.445 54.975 55.300 0.199 0.000 1.069 453 M CB 0.124 32.807 32.600 0.139 0.000 1.622 453 M HN 0.329 nan 8.290 nan 0.000 0.459 454 F N 3.602 123.598 119.950 0.076 0.000 2.538 454 F HA 0.604 5.131 4.527 -0.000 0.000 0.325 454 F C -0.388 175.470 175.800 0.096 0.000 1.066 454 F CA -0.999 57.042 58.000 0.070 0.000 0.946 454 F CB 1.734 40.766 39.000 0.054 0.000 1.199 454 F HN 0.362 nan 8.300 nan 0.000 0.473 455 L N 4.326 125.685 121.223 0.228 0.000 2.406 455 L HA 0.545 4.885 4.340 -0.000 0.000 0.270 455 L C -1.761 175.208 176.870 0.165 0.000 0.982 455 L CA -0.686 54.273 54.840 0.198 0.000 0.843 455 L CB 1.278 43.411 42.059 0.122 0.000 1.225 455 L HN 0.524 nan 8.230 nan 0.000 0.412 456 L N 6.341 127.662 121.223 0.163 0.000 2.260 456 L HA 0.601 4.941 4.340 -0.000 0.000 0.289 456 L C -0.812 176.120 176.870 0.102 0.000 1.057 456 L CA 0.451 55.357 54.840 0.110 0.000 0.811 456 L CB 0.633 42.745 42.059 0.087 0.000 1.184 456 L HN 0.716 nan 8.230 nan 0.000 0.429 457 I N 3.350 123.961 120.570 0.069 0.000 2.769 457 I HA 0.643 4.813 4.170 -0.000 0.000 0.298 457 I C 0.344 176.485 176.117 0.041 0.000 1.128 457 I CA -0.683 60.662 61.300 0.075 0.000 1.031 457 I CB 2.063 40.130 38.000 0.111 0.000 1.235 457 I HN 0.672 nan 8.210 nan 0.000 0.423 458 G N 3.022 111.860 108.800 0.064 0.000 2.537 458 G HA2 0.133 4.093 3.960 -0.000 0.000 0.273 458 G HA3 0.133 4.093 3.960 -0.000 0.000 0.273 458 G C 0.600 175.549 174.900 0.080 0.000 1.189 458 G CA -0.044 45.093 45.100 0.062 0.000 0.881 458 G HN 0.783 nan 8.290 nan 0.000 0.535 459 D N 0.359 120.811 120.400 0.086 0.000 2.144 459 D HA -0.139 4.501 4.640 -0.000 0.000 0.200 459 D C 2.226 178.691 176.300 0.275 0.000 0.978 459 D CA 0.622 54.703 54.000 0.135 0.000 0.833 459 D CB -0.046 40.879 40.800 0.208 0.000 0.961 459 D HN 0.233 nan 8.370 nan 0.000 0.470 460 L N 1.131 122.494 121.223 0.234 0.000 2.056 460 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 460 L C 2.776 179.841 176.870 0.325 0.000 1.078 460 L CA 1.288 56.295 54.840 0.277 0.000 0.749 460 L CB -0.455 41.727 42.059 0.204 0.000 0.901 460 L HN -0.052 nan 8.230 nan 0.000 0.433 461 S N -1.067 114.770 115.700 0.229 0.000 2.402 461 S HA -0.169 4.300 4.470 -0.000 0.000 0.229 461 S C 1.858 176.559 174.600 0.170 0.000 1.021 461 S CA 1.092 59.391 58.200 0.164 0.000 0.974 461 S CB -0.486 62.766 63.200 0.086 0.000 0.800 461 S HN 0.374 nan 8.310 nan 0.000 0.484 462 F N 1.149 121.132 119.950 0.055 0.000 2.146 462 F HA -0.139 4.388 4.527 -0.000 0.000 0.298 462 F C 2.145 178.007 175.800 0.105 0.000 1.096 462 F CA 1.379 59.379 58.000 -0.001 0.000 1.275 462 F CB -0.383 38.521 39.000 -0.160 0.000 1.008 462 F HN 0.282 nan 8.300 nan 0.000 0.480 463 Y N -0.474 119.950 120.300 0.207 0.000 2.181 463 Y HA -0.277 4.273 4.550 -0.000 0.000 0.288 463 Y C 2.798 178.733 175.900 0.058 0.000 1.146 463 Y CA 2.149 60.358 58.100 0.181 0.000 1.164 463 Y CB -0.950 37.676 38.460 0.276 0.000 0.982 463 Y HN 0.128 nan 8.280 nan 0.000 0.515 464 H N -0.211 118.755 119.070 -0.174 0.000 2.319 464 H HA -0.156 4.400 4.556 -0.000 0.000 0.299 464 H C 0.476 175.616 175.328 -0.314 0.000 1.092 464 H CA 2.073 57.957 56.048 -0.273 0.000 1.302 464 H CB -0.301 29.410 29.762 -0.084 0.000 1.373 464 H HN 0.383 nan 8.280 nan 0.000 0.497 465 D N -0.504 119.826 120.400 -0.118 0.000 2.894 465 D HA 0.055 4.695 4.640 -0.000 0.000 0.273 465 D C 1.675 177.791 176.300 -0.307 0.000 1.328 465 D CA -0.160 53.723 54.000 -0.195 0.000 0.845 465 D CB -0.316 40.342 40.800 -0.237 0.000 1.072 465 D HN 0.267 nan 8.370 nan 0.000 0.484 466 M N 0.274 119.677 119.600 -0.328 0.000 2.175 466 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 466 M C 1.337 177.488 176.300 -0.247 0.000 1.063 466 M CA 1.363 56.451 55.300 -0.353 0.000 1.119 466 M CB 0.085 32.590 32.600 -0.158 0.000 1.377 466 M HN 0.146 nan 8.290 nan 0.000 0.415 467 N N -0.281 118.357 118.700 -0.104 0.000 2.348 467 N HA -0.124 4.616 4.740 -0.000 0.000 0.185 467 N C 1.599 177.040 175.510 -0.115 0.000 1.019 467 N CA 1.383 54.432 53.050 -0.002 0.000 0.880 467 N CB -0.783 37.734 38.487 0.051 0.000 0.965 467 N HN 0.499 nan 8.380 nan 0.000 0.437 468 G N 1.189 109.880 108.800 -0.182 0.000 2.625 468 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.214 468 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.214 468 G C 1.498 176.257 174.900 -0.234 0.000 1.132 468 G CA -0.055 44.949 45.100 -0.160 0.000 0.782 468 G HN 0.226 nan 8.290 nan 0.000 0.538 469 L N -0.390 120.551 121.223 -0.471 0.000 2.395 469 L HA 0.148 4.488 4.340 -0.000 0.000 0.218 469 L C 2.465 179.081 176.870 -0.423 0.000 1.130 469 L CA -0.128 54.365 54.840 -0.578 0.000 0.826 469 L CB -0.151 41.288 42.059 -1.034 0.000 0.941 469 L HN 0.195 nan 8.230 nan 0.000 0.451 470 L N -0.304 120.756 121.223 -0.272 0.000 2.131 470 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 470 L C 2.461 179.338 176.870 0.011 0.000 1.092 470 L CA 1.678 56.549 54.840 0.052 0.000 0.759 470 L CB -0.262 41.880 42.059 0.138 0.000 0.903 470 L HN 0.196 nan 8.230 nan 0.000 0.435 471 M N -0.802 118.782 119.600 -0.028 0.000 2.159 471 M HA -0.118 4.361 4.480 -0.000 0.000 0.263 471 M C 2.385 178.754 176.300 0.115 0.000 1.063 471 M CA 1.674 56.991 55.300 0.028 0.000 1.110 471 M CB -1.691 30.811 32.600 -0.163 0.000 1.374 471 M HN 0.441 nan 8.290 nan 0.000 0.411 472 A N -0.326 122.526 122.820 0.053 0.000 2.014 472 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 472 A C 2.362 179.991 177.584 0.074 0.000 1.163 472 A CA 1.456 53.538 52.037 0.076 0.000 0.652 472 A CB -0.468 18.556 19.000 0.039 0.000 0.808 472 A HN 0.455 nan 8.150 nan 0.000 0.449 473 K N 0.320 120.754 120.400 0.056 0.000 2.031 473 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 473 K C 2.107 178.695 176.600 -0.020 0.000 1.049 473 K CA 1.584 57.896 56.287 0.042 0.000 0.939 473 K CB -0.120 32.419 32.500 0.065 0.000 0.717 473 K HN 0.641 nan 8.250 nan 0.000 0.438 474 K N -1.079 119.267 120.400 -0.090 0.000 2.116 474 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 474 K C 1.160 177.549 176.600 -0.351 0.000 1.052 474 K CA 1.193 57.318 56.287 -0.270 0.000 0.952 474 K CB -0.198 32.047 32.500 -0.426 0.000 0.729 474 K HN 0.102 nan 8.250 nan 0.000 0.446 475 Y N 1.461 121.787 120.300 0.045 0.000 2.468 475 Y HA 0.271 4.821 4.550 -0.000 0.000 0.268 475 Y C -0.483 175.460 175.900 0.071 0.000 1.177 475 Y CA -0.494 57.653 58.100 0.080 0.000 1.265 475 Y CB 0.147 38.702 38.460 0.159 0.000 1.103 475 Y HN -0.031 nan 8.280 nan 0.000 0.522 476 K N 0.579 121.056 120.400 0.128 0.000 3.278 476 K HA -0.227 4.093 4.320 -0.000 0.000 0.270 476 K C -0.458 176.200 176.600 0.096 0.000 0.955 476 K CA 0.344 56.685 56.287 0.091 0.000 0.723 476 K CB -1.362 31.177 32.500 0.066 0.000 1.382 476 K HN 0.405 nan 8.250 nan 0.000 0.461 477 M N 0.212 119.877 119.600 0.108 0.000 2.291 477 M HA 0.124 4.604 4.480 -0.000 0.000 0.324 477 M C 0.455 176.768 176.300 0.022 0.000 1.148 477 M CA -0.393 54.960 55.300 0.088 0.000 1.104 477 M CB 0.753 33.424 32.600 0.120 0.000 1.483 477 M HN 0.109 nan 8.290 nan 0.000 0.467 478 N N 2.248 120.945 118.700 -0.004 0.000 2.546 478 N HA 0.489 5.229 4.740 -0.000 0.000 0.238 478 N C -1.980 173.487 175.510 -0.072 0.000 0.984 478 N CA -0.190 52.820 53.050 -0.067 0.000 0.935 478 N CB 0.685 39.123 38.487 -0.081 0.000 1.122 478 N HN 0.569 nan 8.380 nan 0.000 0.510 479 L N 2.717 123.888 121.223 -0.088 0.000 2.409 479 L HA 0.493 4.833 4.340 -0.000 0.000 0.272 479 L C -0.854 175.919 176.870 -0.161 0.000 0.980 479 L CA -0.552 54.226 54.840 -0.104 0.000 0.826 479 L CB 1.971 44.010 42.059 -0.033 0.000 1.268 479 L HN 0.436 nan 8.230 nan 0.000 0.407 480 T N 5.674 120.024 114.554 -0.341 0.000 2.753 480 T HA 0.497 4.847 4.350 -0.000 0.000 0.297 480 T C 0.022 174.613 174.700 -0.181 0.000 0.981 480 T CA -0.141 61.738 62.100 -0.367 0.000 0.956 480 T CB 0.381 68.742 68.868 -0.846 0.000 0.936 480 T HN 0.302 nan 8.240 nan 0.000 0.463 481 I N 3.326 123.868 120.570 -0.047 0.000 2.331 481 I HA 0.350 4.519 4.170 -0.000 0.000 0.292 481 I C -0.195 175.908 176.117 -0.023 0.000 0.998 481 I CA -0.930 60.373 61.300 0.005 0.000 1.267 481 I CB 1.434 39.465 38.000 0.051 0.000 1.386 481 I HN 0.239 nan 8.210 nan 0.000 0.476 482 V N 7.840 127.759 119.914 0.007 0.000 2.294 482 V HA 0.354 4.473 4.120 -0.000 0.000 0.272 482 V C 0.206 176.257 176.094 -0.072 0.000 1.027 482 V CA -0.395 61.895 62.300 -0.016 0.000 0.823 482 V CB 0.894 32.749 31.823 0.054 0.000 1.030 482 V HN 0.490 nan 8.190 nan 0.000 0.457 483 I N 5.141 125.607 120.570 -0.174 0.000 2.312 483 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 483 I C 0.034 176.078 176.117 -0.121 0.000 1.031 483 I CA -0.460 60.700 61.300 -0.233 0.000 1.293 483 I CB 1.442 39.131 38.000 -0.519 0.000 1.403 483 I HN 0.267 nan 8.210 nan 0.000 0.484 484 V N 6.365 126.242 119.914 -0.061 0.000 2.387 484 V HA 0.109 4.229 4.120 -0.000 0.000 0.260 484 V C 0.342 176.436 176.094 0.000 0.000 1.054 484 V CA -0.256 62.031 62.300 -0.021 0.000 0.967 484 V CB 0.267 32.090 31.823 -0.000 0.000 1.036 484 V HN 0.619 nan 8.190 nan 0.000 0.481 485 N N 4.273 122.984 118.700 0.018 0.000 2.437 485 N HA 0.244 4.984 4.740 -0.000 0.000 0.259 485 N C 0.528 176.075 175.510 0.061 0.000 0.983 485 N CA -0.404 52.688 53.050 0.069 0.000 0.937 485 N CB 1.430 39.993 38.487 0.125 0.000 1.122 485 N HN 0.736 nan 8.380 nan 0.000 0.499 486 N N 1.814 120.552 118.700 0.063 0.000 2.397 486 N HA 0.118 4.858 4.740 -0.000 0.000 0.190 486 N C -0.195 175.348 175.510 0.055 0.000 1.099 486 N CA -0.327 52.753 53.050 0.050 0.000 0.876 486 N CB 0.019 38.530 38.487 0.040 0.000 1.143 486 N HN 0.402 nan 8.380 nan 0.000 0.468 514 L N 1.563 122.666 121.223 -0.200 0.000 2.395 514 L HA 0.443 4.783 4.340 -0.000 0.000 0.269 514 L C -0.249 176.384 176.870 -0.395 0.000 1.133 514 L CA -0.373 54.259 54.840 -0.346 0.000 0.812 514 L CB 0.616 42.319 42.059 -0.593 0.000 1.125 514 L HN -0.024 nan 8.230 nan 0.000 0.452 515 D N 0.749 120.987 120.400 -0.270 0.000 2.441 515 D HA 0.248 4.888 4.640 -0.000 0.000 0.231 515 D C 0.224 176.401 176.300 -0.205 0.000 1.073 515 D CA -0.269 53.619 54.000 -0.185 0.000 0.850 515 D CB 0.653 41.446 40.800 -0.011 0.000 1.062 515 D HN 0.243 nan 8.370 nan 0.000 0.524 516 F N 1.849 121.806 119.950 0.010 0.000 2.802 516 F HA 0.123 4.650 4.527 -0.000 0.000 0.300 516 F C 2.408 178.102 175.800 -0.177 0.000 1.168 516 F CA -0.125 57.913 58.000 0.064 0.000 1.433 516 F CB 0.082 39.174 39.000 0.155 0.000 1.115 516 F HN 0.359 nan 8.300 nan 0.000 0.582 517 R N 0.189 120.352 120.500 -0.563 0.000 2.092 517 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 517 R C 1.751 177.768 176.300 -0.470 0.000 1.119 517 R CA 1.643 57.134 56.100 -1.016 0.000 0.970 517 R CB -0.326 29.198 30.300 -1.293 0.000 0.864 517 R HN 0.212 nan 8.270 nan 0.000 0.440 518 F N 0.480 120.365 119.950 -0.110 0.000 2.259 518 F HA 0.042 4.569 4.527 -0.000 0.000 0.298 518 F C 2.489 178.337 175.800 0.080 0.000 1.088 518 F CA 0.893 58.878 58.000 -0.024 0.000 1.358 518 F CB -0.676 38.291 39.000 -0.056 0.000 1.040 518 F HN 0.122 nan 8.300 nan 0.000 0.505 519 A N 0.208 123.224 122.820 0.327 0.000 1.898 519 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 519 A C 2.440 180.317 177.584 0.488 0.000 1.181 519 A CA 1.661 53.960 52.037 0.437 0.000 0.620 519 A CB -1.230 18.155 19.000 0.641 0.000 0.819 519 A HN 0.284 nan 8.150 nan 0.000 0.442 520 A N -0.223 122.825 122.820 0.380 0.000 1.930 520 A HA 0.214 4.533 4.320 -0.000 0.000 0.217 520 A C 2.443 180.180 177.584 0.254 0.000 1.175 520 A CA 1.866 54.110 52.037 0.345 0.000 0.627 520 A CB -0.861 18.323 19.000 0.307 0.000 0.815 520 A HN 1.011 nan 8.150 nan 0.000 0.443 521 A N -1.496 121.434 122.820 0.183 0.000 1.969 521 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 521 A C 2.016 179.691 177.584 0.152 0.000 1.169 521 A CA 1.323 53.445 52.037 0.143 0.000 0.635 521 A CB -0.648 18.428 19.000 0.126 0.000 0.810 521 A HN 0.628 nan 8.150 nan 0.000 0.445 522 F N -1.226 118.722 119.950 -0.003 0.000 2.186 522 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 522 F C 1.216 176.847 175.800 -0.281 0.000 1.090 522 F CA 1.234 59.118 58.000 -0.193 0.000 1.307 522 F CB 0.115 38.907 39.000 -0.347 0.000 1.019 522 F HN 0.289 nan 8.300 nan 0.000 0.489 523 Y N 0.499 120.857 120.300 0.097 0.000 2.658 523 Y HA 0.215 4.765 4.550 -0.000 0.000 0.276 523 Y C 0.032 175.945 175.900 0.020 0.000 1.167 523 Y CA -0.842 57.259 58.100 0.002 0.000 1.230 523 Y CB -0.736 37.788 38.460 0.107 0.000 1.144 523 Y HN -0.029 nan 8.280 nan 0.000 0.529 524 D N 0.416 120.883 120.400 0.112 0.000 2.689 524 D HA -0.168 4.472 4.640 -0.000 0.000 0.237 524 D C 0.021 176.404 176.300 0.139 0.000 1.148 524 D CA 0.948 55.004 54.000 0.094 0.000 0.656 524 D CB -0.753 40.078 40.800 0.052 0.000 1.050 524 D HN 0.398 nan 8.370 nan 0.000 0.426 525 A N 0.301 123.226 122.820 0.177 0.000 2.311 525 A HA 0.574 4.894 4.320 -0.000 0.000 0.334 525 A C -0.166 177.500 177.584 0.136 0.000 1.139 525 A CA -0.711 51.439 52.037 0.188 0.000 0.830 525 A CB 1.017 20.162 19.000 0.242 0.000 1.234 525 A HN 0.021 nan 8.150 nan 0.000 0.483 526 D N 0.971 121.439 120.400 0.114 0.000 2.325 526 D HA 0.331 4.970 4.640 -0.000 0.000 0.251 526 D C -0.906 175.313 176.300 -0.135 0.000 1.196 526 D CA 0.738 54.715 54.000 -0.038 0.000 0.866 526 D CB 0.400 41.171 40.800 -0.049 0.000 1.101 526 D HN 0.400 nan 8.370 nan 0.000 0.476 527 Y N 3.814 123.943 120.300 -0.284 0.000 2.313 527 Y HA 0.225 4.775 4.550 -0.000 0.000 0.332 527 Y C -0.276 175.346 175.900 -0.464 0.000 1.071 527 Y CA -0.146 57.807 58.100 -0.244 0.000 1.169 527 Y CB 0.507 38.903 38.460 -0.108 0.000 1.192 527 Y HN 0.377 nan 8.280 nan 0.000 0.487 528 H N 5.053 123.752 119.070 -0.620 0.000 2.600 528 H HA 0.262 4.818 4.556 -0.000 0.000 0.357 528 H C -1.242 173.634 175.328 -0.754 0.000 1.106 528 H CA -0.931 54.819 56.048 -0.496 0.000 1.193 528 H CB 2.129 31.750 29.762 -0.234 0.000 1.594 528 H HN 0.699 nan 8.280 nan 0.000 0.526 529 E N 1.959 121.949 120.200 -0.351 0.000 2.165 529 E HA 0.561 4.911 4.350 -0.000 0.000 0.266 529 E C -1.225 175.328 176.600 -0.079 0.000 0.889 529 E CA -0.949 55.321 56.400 -0.217 0.000 0.756 529 E CB 1.184 30.856 29.700 -0.046 0.000 1.131 529 E HN 0.728 nan 8.360 nan 0.000 0.411 530 A N 4.551 127.331 122.820 -0.068 0.000 2.288 530 A HA 0.364 4.684 4.320 -0.000 0.000 0.320 530 A C 0.101 177.671 177.584 -0.023 0.000 1.217 530 A CA -0.522 51.491 52.037 -0.041 0.000 0.840 530 A CB 0.826 19.798 19.000 -0.047 0.000 1.179 530 A HN 0.781 nan 8.150 nan 0.000 0.504 531 K N 0.731 121.121 120.400 -0.015 0.000 2.412 531 K HA 0.157 4.477 4.320 -0.000 0.000 0.202 531 K C 0.334 176.926 176.600 -0.014 0.000 1.102 531 K CA 0.740 57.022 56.287 -0.009 0.000 1.027 531 K CB 0.625 33.125 32.500 0.000 0.000 0.931 531 K HN 0.794 nan 8.250 nan 0.000 0.557 532 S N -1.510 114.178 115.700 -0.018 0.000 2.651 532 S HA 0.252 4.722 4.470 -0.000 0.000 0.279 532 S C 1.068 175.652 174.600 -0.027 0.000 1.148 532 S CA -0.911 57.276 58.200 -0.021 0.000 0.837 532 S CB 1.602 64.792 63.200 -0.018 0.000 1.138 532 S HN -0.201 nan 8.310 nan 0.000 0.478 533 V N 1.271 121.167 119.914 -0.029 0.000 2.332 533 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 533 V C 2.135 178.210 176.094 -0.032 0.000 1.055 533 V CA 2.332 64.612 62.300 -0.033 0.000 1.038 533 V CB -0.886 30.916 31.823 -0.034 0.000 0.651 533 V HN 0.886 nan 8.190 nan 0.000 0.450 534 D N -0.279 120.104 120.400 -0.029 0.000 2.144 534 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 534 D C 2.229 178.511 176.300 -0.030 0.000 0.978 534 D CA 1.185 55.168 54.000 -0.028 0.000 0.833 534 D CB -0.073 40.713 40.800 -0.024 0.000 0.961 534 D HN 0.576 nan 8.370 nan 0.000 0.470 535 E N 0.067 120.250 120.200 -0.028 0.000 2.204 535 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 535 E C 2.023 178.597 176.600 -0.044 0.000 0.989 535 E CA 0.113 56.495 56.400 -0.030 0.000 0.824 535 E CB 0.073 29.759 29.700 -0.022 0.000 0.756 535 E HN 0.094 nan 8.360 nan 0.000 0.477 536 L N 1.437 122.634 121.223 -0.043 0.000 2.056 536 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 536 L C 2.006 178.846 176.870 -0.050 0.000 1.078 536 L CA 1.732 56.543 54.840 -0.048 0.000 0.749 536 L CB -0.132 41.904 42.059 -0.037 0.000 0.901 536 L HN 0.015 nan 8.230 nan 0.000 0.433 537 E N -0.371 119.803 120.200 -0.043 0.000 2.085 537 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 537 E C 2.002 178.572 176.600 -0.049 0.000 0.994 537 E CA 1.735 58.112 56.400 -0.040 0.000 0.801 537 E CB -0.016 29.662 29.700 -0.037 0.000 0.743 537 E HN 0.639 nan 8.360 nan 0.000 0.453 538 E N 0.367 120.532 120.200 -0.057 0.000 2.051 538 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 538 E C 2.026 178.557 176.600 -0.115 0.000 0.991 538 E CA 1.042 57.401 56.400 -0.067 0.000 0.799 538 E CB -0.130 29.541 29.700 -0.048 0.000 0.748 538 E HN 0.211 nan 8.360 nan 0.000 0.449 539 A N 1.254 123.972 122.820 -0.169 0.000 1.902 539 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 539 A C 2.151 179.556 177.584 -0.299 0.000 1.181 539 A CA 1.063 52.865 52.037 -0.392 0.000 0.623 539 A CB -0.409 18.389 19.000 -0.338 0.000 0.818 539 A HN 0.122 nan 8.150 nan 0.000 0.443 540 I N 0.483 120.989 120.570 -0.106 0.000 2.202 540 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 540 I C 1.789 177.935 176.117 0.048 0.000 1.091 540 I CA 1.525 62.842 61.300 0.028 0.000 1.368 540 I CB -1.400 36.643 38.000 0.072 0.000 1.058 540 I HN 0.306 nan 8.210 nan 0.000 0.410 541 D N 0.908 121.310 120.400 0.004 0.000 2.144 541 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 541 D C 2.183 178.506 176.300 0.040 0.000 0.978 541 D CA 1.048 55.059 54.000 0.018 0.000 0.833 541 D CB -0.039 40.742 40.800 -0.033 0.000 0.961 541 D HN 0.342 nan 8.370 nan 0.000 0.470 542 K N 0.654 121.051 120.400 -0.005 0.000 2.097 542 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 542 K C 2.126 178.837 176.600 0.185 0.000 1.049 542 K CA 1.025 57.351 56.287 0.064 0.000 0.933 542 K CB -0.009 32.497 32.500 0.010 0.000 0.717 542 K HN 0.006 nan 8.250 nan 0.000 0.442 543 A N 1.471 124.349 122.820 0.098 0.000 1.873 543 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 543 A C 2.159 179.824 177.584 0.136 0.000 1.186 543 A CA 2.127 54.247 52.037 0.138 0.000 0.616 543 A CB -0.666 18.330 19.000 -0.007 0.000 0.823 543 A HN 0.391 nan 8.150 nan 0.000 0.442 544 S N -2.364 113.428 115.700 0.154 0.000 2.515 544 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 544 S C 1.617 176.337 174.600 0.199 0.000 0.987 544 S CA 1.045 59.343 58.200 0.164 0.000 0.936 544 S CB -0.655 62.672 63.200 0.211 0.000 0.766 544 S HN 0.588 nan 8.310 nan 0.000 0.528 545 Y N 2.612 122.971 120.300 0.099 0.000 2.546 545 Y HA 0.160 4.710 4.550 -0.000 0.000 0.287 545 Y C 0.821 176.817 175.900 0.160 0.000 1.158 545 Y CA 0.222 58.385 58.100 0.106 0.000 1.307 545 Y CB 0.181 38.696 38.460 0.091 0.000 1.036 545 Y HN 0.694 nan 8.280 nan 0.000 0.532 546 H N -1.864 117.250 119.070 0.072 0.000 2.806 546 H HA 0.430 4.986 4.556 -0.000 0.000 0.367 546 H C -1.358 173.980 175.328 0.018 0.000 1.136 546 H CA -1.236 54.824 56.048 0.019 0.000 1.178 546 H CB 1.027 30.828 29.762 0.065 0.000 1.718 546 H HN -0.194 nan 8.280 nan 0.000 0.540 547 K N 3.334 123.586 120.400 -0.246 0.000 2.250 547 K HA 0.512 4.832 4.320 -0.000 0.000 0.285 547 K C -0.385 176.011 176.600 -0.341 0.000 1.097 547 K CA 0.334 56.464 56.287 -0.262 0.000 0.913 547 K CB 0.917 33.363 32.500 -0.090 0.000 1.179 547 K HN 0.866 nan 8.250 nan 0.000 0.462 548 G N 1.571 110.083 108.800 -0.479 0.000 2.336 548 G HA2 0.136 4.096 3.960 -0.000 0.000 0.286 548 G HA3 0.136 4.096 3.960 -0.000 0.000 0.286 548 G C -2.214 172.603 174.900 -0.137 0.000 1.269 548 G CA -0.994 43.971 45.100 -0.225 0.000 0.873 548 G HN 0.303 nan 8.290 nan 0.000 0.494 549 L N 1.902 123.167 121.223 0.070 0.000 2.260 549 L HA 0.557 4.897 4.340 -0.000 0.000 0.289 549 L C -0.770 176.216 176.870 0.192 0.000 1.057 549 L CA -0.562 54.340 54.840 0.104 0.000 0.811 549 L CB 0.778 42.913 42.059 0.126 0.000 1.184 549 L HN 0.432 nan 8.230 nan 0.000 0.429 550 D N 6.378 126.863 120.400 0.142 0.000 2.391 550 D HA 0.406 5.046 4.640 -0.000 0.000 0.245 550 D C -0.593 175.791 176.300 0.140 0.000 1.069 550 D CA -0.132 53.990 54.000 0.204 0.000 0.831 550 D CB 2.188 43.102 40.800 0.190 0.000 1.204 550 D HN 0.375 nan 8.370 nan 0.000 0.503 551 I N 3.293 123.963 120.570 0.167 0.000 2.382 551 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 551 I C -0.239 175.883 176.117 0.008 0.000 1.002 551 I CA -0.589 60.757 61.300 0.076 0.000 1.135 551 I CB 1.608 39.689 38.000 0.134 0.000 1.288 551 I HN 0.150 nan 8.210 nan 0.000 0.448 552 I N 6.218 126.756 120.570 -0.053 0.000 2.359 552 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 552 I C 0.065 176.090 176.117 -0.153 0.000 1.018 552 I CA -0.326 60.915 61.300 -0.099 0.000 1.173 552 I CB 1.188 39.157 38.000 -0.053 0.000 1.326 552 I HN 0.573 nan 8.210 nan 0.000 0.462 553 E N 6.323 126.401 120.200 -0.204 0.000 2.115 553 E HA 0.345 4.695 4.350 -0.000 0.000 0.282 553 E C -1.239 175.325 176.600 -0.060 0.000 0.987 553 E CA -0.520 55.817 56.400 -0.107 0.000 0.797 553 E CB 1.967 31.695 29.700 0.047 0.000 1.086 553 E HN 0.414 nan 8.360 nan 0.000 0.397 554 V N 5.245 125.136 119.914 -0.039 0.000 2.347 554 V HA 0.465 4.585 4.120 -0.000 0.000 0.280 554 V C -0.636 175.464 176.094 0.011 0.000 1.021 554 V CA -0.323 61.967 62.300 -0.018 0.000 0.847 554 V CB 1.266 33.073 31.823 -0.027 0.000 0.990 554 V HN 0.638 nan 8.190 nan 0.000 0.444 555 K N 0.000 120.415 120.400 0.025 0.000 2.780 555 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 555 K CA 0.000 56.309 56.287 0.037 0.000 0.838 555 K CB 0.000 32.536 32.500 0.060 0.000 1.064 555 K HN 0.000 nan 8.250 nan 0.000 0.543