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 1jr3_1_C DATA FIRST_RESID 3 DATA SEQUENCE YQVLARKXXX XXXXXVVGQE HVLTALANGL SLGRIHHAYL FSGTRGVGKT DATA SEQUENCE SIARLLAKGL NCETGITATP CGVCDNCREI EQGRFVDLIE IDAASRTKVE DATA SEQUENCE DTRDLLDNVQ YAPARGRFKV YLIDEVHMLS RHSFNALLKT LEEPPEHVKF DATA SEQUENCE LLATTDPQKL PVTILSRCLQ FHLKALDVEQ IRHQLEHILN EEHIAHEPRA DATA SEQUENCE LQLLARAAEG SLRDALSLTD QAIASGDGQV STQAVSAMLG TLDDDQALSL DATA SEQUENCE VEAMVEANGE RVMALINEAA ARGIEWEALL VEMLGLLHRI AMVQLSPAAL DATA SEQUENCE GNDMAAIELR MRELARTIPP TDIQLYYQTL LIGRKELPYA PDRRMGVEMT DATA SEQUENCE LLRALAFHPR MPLPEPXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.904 175.900 0.007 0.000 1.272 3 Y CA 0.000 58.103 58.100 0.005 0.000 1.940 3 Y CB 0.000 38.460 38.460 -0.001 0.000 1.050 4 Q N 2.873 122.780 119.800 0.179 0.000 2.913 4 Q HA 0.285 4.625 4.340 -0.000 0.000 0.213 4 Q C -1.985 174.072 176.000 0.095 0.000 0.981 4 Q CA -0.709 55.147 55.803 0.089 0.000 1.133 4 Q CB 2.792 31.576 28.738 0.078 0.000 1.839 4 Q HN 0.536 nan 8.270 nan 0.000 0.540 5 V N 4.404 124.364 119.914 0.077 0.000 2.427 5 V HA 0.251 4.371 4.120 -0.000 0.000 0.286 5 V C 1.378 177.544 176.094 0.120 0.000 1.034 5 V CA -0.314 62.035 62.300 0.082 0.000 0.893 5 V CB 1.418 33.277 31.823 0.059 0.000 0.982 5 V HN 0.852 nan 8.190 nan 0.000 0.452 6 L N 3.515 124.822 121.223 0.139 0.000 2.013 6 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 6 L C 2.604 179.622 176.870 0.247 0.000 1.073 6 L CA 2.199 57.174 54.840 0.225 0.000 0.753 6 L CB -0.484 41.625 42.059 0.082 0.000 0.890 6 L HN 0.891 nan 8.230 nan 0.000 0.432 7 A N 0.233 123.130 122.820 0.127 0.000 1.908 7 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 7 A C 2.307 179.962 177.584 0.119 0.000 1.181 7 A CA 2.176 54.278 52.037 0.108 0.000 0.627 7 A CB -0.489 18.546 19.000 0.058 0.000 0.818 7 A HN 0.394 nan 8.150 nan 0.000 0.445 8 R N 0.344 120.899 120.500 0.092 0.000 2.075 8 R HA 0.060 4.400 4.340 -0.000 0.000 0.226 8 R C 1.336 177.659 176.300 0.039 0.000 1.114 8 R CA 1.512 57.642 56.100 0.049 0.000 0.972 8 R CB -0.392 29.921 30.300 0.022 0.000 0.869 8 R HN 0.457 nan 8.270 nan 0.000 0.437 19 V N 4.699 124.601 119.914 -0.019 0.000 2.439 19 V HA 0.583 4.703 4.120 -0.000 0.000 0.271 19 V C 1.799 177.867 176.094 -0.042 0.000 1.040 19 V CA 1.213 63.495 62.300 -0.031 0.000 1.002 19 V CB 0.305 32.115 31.823 -0.021 0.000 1.000 19 V HN 2.416 nan 8.190 nan 0.000 0.477 20 G N 4.525 113.293 108.800 -0.054 0.000 2.296 20 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.282 20 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.282 20 G C 0.338 175.211 174.900 -0.045 0.000 1.014 20 G CA 0.575 45.644 45.100 -0.052 0.000 0.812 20 G HN 0.798 nan 8.290 nan 0.000 0.508 21 Q N -0.582 119.179 119.800 -0.064 0.000 2.354 21 Q HA 0.298 4.638 4.340 -0.000 0.000 0.372 21 Q C 1.506 177.454 176.000 -0.087 0.000 0.923 21 Q CA 0.103 55.874 55.803 -0.053 0.000 1.123 21 Q CB 0.280 28.987 28.738 -0.051 0.000 1.298 21 Q HN 0.761 nan 8.270 nan 0.000 0.419 22 E N 0.363 120.503 120.200 -0.100 0.000 2.160 22 E HA -0.309 4.041 4.350 -0.000 0.000 0.237 22 E C 1.146 177.641 176.600 -0.174 0.000 1.069 22 E CA 1.708 58.009 56.400 -0.165 0.000 0.950 22 E CB -0.315 29.268 29.700 -0.196 0.000 0.832 22 E HN 0.513 nan 8.360 nan 0.000 0.496 23 H N -0.319 118.739 119.070 -0.020 0.000 2.543 23 H HA -0.018 4.538 4.556 0.000 0.000 0.286 23 H C 2.027 177.364 175.328 0.014 0.000 1.037 23 H CA 0.875 56.932 56.048 0.016 0.000 1.250 23 H CB 0.095 29.888 29.762 0.053 0.000 1.373 23 H HN 0.056 nan 8.280 nan 0.000 0.580 24 V N 0.495 120.415 119.914 0.009 0.000 2.374 24 V HA -0.148 3.972 4.120 -0.000 0.000 0.241 24 V C 2.643 178.512 176.094 -0.376 0.000 1.034 24 V CA 0.716 62.898 62.300 -0.196 0.000 1.037 24 V CB -0.283 31.418 31.823 -0.203 0.000 0.682 24 V HN 0.249 nan 8.190 nan 0.000 0.463 25 L N -0.107 120.894 121.223 -0.370 0.000 2.079 25 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 25 L C 2.571 179.237 176.870 -0.339 0.000 1.081 25 L CA 1.927 56.440 54.840 -0.546 0.000 0.752 25 L CB -1.165 40.622 42.059 -0.454 0.000 0.896 25 L HN 0.374 nan 8.230 nan 0.000 0.433 26 T N 0.035 114.489 114.554 -0.166 0.000 2.701 26 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 26 T C 2.103 176.809 174.700 0.011 0.000 1.040 26 T CA 1.281 63.349 62.100 -0.053 0.000 1.147 26 T CB -0.261 68.589 68.868 -0.030 0.000 0.865 26 T HN 0.435 nan 8.240 nan 0.000 0.426 27 A N 1.536 124.383 122.820 0.044 0.000 1.873 27 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 27 A C 2.332 179.981 177.584 0.108 0.000 1.193 27 A CA 1.609 53.731 52.037 0.142 0.000 0.629 27 A CB -1.095 18.082 19.000 0.295 0.000 0.826 27 A HN 0.479 nan 8.150 nan 0.000 0.447 28 L N -1.024 120.167 121.223 -0.054 0.000 2.046 28 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 28 L C 3.063 180.039 176.870 0.178 0.000 1.077 28 L CA 1.157 56.001 54.840 0.007 0.000 0.747 28 L CB -0.533 41.393 42.059 -0.221 0.000 0.896 28 L HN 0.458 nan 8.230 nan 0.000 0.432 29 A N -0.253 122.664 122.820 0.162 0.000 2.015 29 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 29 A C 2.026 179.699 177.584 0.149 0.000 1.163 29 A CA 1.490 53.682 52.037 0.258 0.000 0.646 29 A CB -0.403 18.751 19.000 0.255 0.000 0.806 29 A HN 0.409 nan 8.150 nan 0.000 0.448 30 N N 0.287 119.057 118.700 0.118 0.000 2.173 30 N HA -0.064 4.676 4.740 -0.000 0.000 0.184 30 N C 1.918 177.493 175.510 0.107 0.000 1.025 30 N CA 1.416 54.526 53.050 0.100 0.000 0.852 30 N CB -0.888 37.656 38.487 0.096 0.000 0.998 30 N HN 0.410 nan 8.380 nan 0.000 0.427 31 G N 1.417 110.300 108.800 0.137 0.000 2.442 31 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.219 31 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.219 31 G C 1.575 176.544 174.900 0.115 0.000 1.141 31 G CA 0.371 45.555 45.100 0.141 0.000 0.763 31 G HN 0.252 nan 8.290 nan 0.000 0.554 32 L N 0.500 121.796 121.223 0.120 0.000 2.275 32 L HA 0.002 4.342 4.340 -0.000 0.000 0.215 32 L C 2.794 179.703 176.870 0.065 0.000 1.119 32 L CA 0.706 55.597 54.840 0.085 0.000 0.790 32 L CB 0.058 42.164 42.059 0.078 0.000 0.919 32 L HN 0.203 nan 8.230 nan 0.000 0.443 33 S N -0.799 114.942 115.700 0.069 0.000 2.470 33 S HA 0.150 4.620 4.470 -0.000 0.000 0.222 33 S C 1.519 176.149 174.600 0.051 0.000 1.024 33 S CA 0.211 58.443 58.200 0.053 0.000 0.931 33 S CB 0.283 63.513 63.200 0.050 0.000 0.791 33 S HN 0.292 nan 8.310 nan 0.000 0.513 34 L N 0.895 122.152 121.223 0.057 0.000 2.628 34 L HA 0.291 4.631 4.340 -0.000 0.000 0.229 34 L C 1.509 178.407 176.870 0.047 0.000 1.137 34 L CA 0.197 55.066 54.840 0.049 0.000 0.909 34 L CB -0.358 41.730 42.059 0.047 0.000 1.137 34 L HN 0.439 nan 8.230 nan 0.000 0.470 35 G N 1.204 110.038 108.800 0.057 0.000 2.166 35 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.260 35 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.260 35 G C 0.362 175.286 174.900 0.041 0.000 0.986 35 G CA -0.007 45.131 45.100 0.064 0.000 0.683 35 G HN 0.445 nan 8.290 nan 0.000 0.527 36 R N -0.205 120.312 120.500 0.028 0.000 2.235 36 R HA 0.535 4.875 4.340 -0.000 0.000 0.338 36 R C -0.471 175.816 176.300 -0.021 0.000 1.087 36 R CA -0.150 55.932 56.100 -0.029 0.000 0.948 36 R CB 0.373 30.658 30.300 -0.024 0.000 1.099 36 R HN 0.288 nan 8.270 nan 0.000 0.483 37 I N 2.047 122.575 120.570 -0.070 0.000 2.499 37 I HA 0.219 4.389 4.170 -0.000 0.000 0.288 37 I C 0.314 176.355 176.117 -0.126 0.000 1.048 37 I CA -0.717 60.604 61.300 0.036 0.000 1.062 37 I CB 1.604 39.630 38.000 0.043 0.000 1.238 37 I HN 0.372 nan 8.210 nan 0.000 0.426 38 H N 4.279 123.300 119.070 -0.082 0.000 2.546 38 H HA 0.258 4.814 4.556 -0.000 0.000 0.365 38 H C 0.476 175.711 175.328 -0.155 0.000 1.220 38 H CA -0.209 55.639 56.048 -0.332 0.000 1.386 38 H CB 1.087 30.500 29.762 -0.582 0.000 1.510 38 H HN 0.583 nan 8.280 nan 0.000 0.591 39 H N 0.232 119.337 119.070 0.058 0.000 2.421 39 H HA 0.123 4.679 4.556 -0.000 0.000 0.298 39 H C 0.494 175.932 175.328 0.185 0.000 1.087 39 H CA 1.001 57.113 56.048 0.107 0.000 1.330 39 H CB 0.261 30.078 29.762 0.092 0.000 1.388 39 H HN 0.576 nan 8.280 nan 0.000 0.526 40 A N -0.328 122.593 122.820 0.168 0.000 2.547 40 A HA 0.547 4.867 4.320 -0.000 0.000 0.297 40 A C -1.801 175.756 177.584 -0.044 0.000 1.056 40 A CA -0.634 51.523 52.037 0.199 0.000 0.688 40 A CB 1.197 20.309 19.000 0.188 0.000 1.282 40 A HN 0.082 nan 8.150 nan 0.000 0.400 41 Y N 0.756 121.092 120.300 0.060 0.000 2.376 41 Y HA 0.611 5.161 4.550 0.000 0.000 0.340 41 Y C -0.291 175.481 175.900 -0.213 0.000 0.965 41 Y CA -0.710 57.326 58.100 -0.108 0.000 1.078 41 Y CB 2.224 40.625 38.460 -0.098 0.000 1.193 41 Y HN 0.671 nan 8.280 nan 0.000 0.452 42 L N 4.236 125.359 121.223 -0.167 0.000 2.296 42 L HA 0.648 4.988 4.340 -0.000 0.000 0.286 42 L C -1.836 174.839 176.870 -0.326 0.000 1.023 42 L CA -0.592 54.164 54.840 -0.140 0.000 0.812 42 L CB 0.220 42.244 42.059 -0.058 0.000 1.223 42 L HN 0.379 nan 8.230 nan 0.000 0.421 43 F N 3.289 123.336 119.950 0.161 0.000 2.444 43 F HA 0.687 5.214 4.527 0.000 0.000 0.342 43 F C 0.344 176.165 175.800 0.036 0.000 1.121 43 F CA -0.293 57.776 58.000 0.115 0.000 0.997 43 F CB 1.988 41.039 39.000 0.085 0.000 1.130 43 F HN 0.586 nan 8.300 nan 0.000 0.454 44 S N 1.266 117.018 115.700 0.087 0.000 2.599 44 S HA 1.019 5.489 4.470 -0.000 0.000 0.294 44 S C -0.413 173.946 174.600 -0.401 0.000 1.094 44 S CA -0.721 57.414 58.200 -0.109 0.000 0.931 44 S CB 2.102 65.242 63.200 -0.100 0.000 1.093 44 S HN 1.248 nan 8.310 nan 0.000 0.488 45 G N 0.515 109.132 108.800 -0.305 0.000 2.350 45 G HA2 0.394 4.354 3.960 -0.000 0.000 0.305 45 G HA3 0.394 4.354 3.960 -0.000 0.000 0.305 45 G C -0.817 174.058 174.900 -0.042 0.000 1.479 45 G CA -0.760 44.188 45.100 -0.254 0.000 0.949 45 G HN 0.841 nan 8.290 nan 0.000 0.651 46 T N 0.422 114.987 114.554 0.019 0.000 2.903 46 T HA 0.371 4.721 4.350 -0.000 0.000 0.314 46 T C 1.099 175.816 174.700 0.029 0.000 1.078 46 T CA 0.216 62.337 62.100 0.036 0.000 1.114 46 T CB 0.545 69.440 68.868 0.045 0.000 0.987 46 T HN 0.936 nan 8.240 nan 0.000 0.548 47 R N 1.036 121.558 120.500 0.037 0.000 2.480 47 R HA 0.377 4.717 4.340 -0.000 0.000 0.303 47 R C 1.046 177.362 176.300 0.027 0.000 0.985 47 R CA 0.943 57.065 56.100 0.036 0.000 1.051 47 R CB -0.502 29.824 30.300 0.043 0.000 0.935 47 R HN 0.865 nan 8.270 nan 0.000 0.410 48 G N 2.244 111.056 108.800 0.020 0.000 3.898 48 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.196 48 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.196 48 G C -0.213 174.691 174.900 0.007 0.000 1.322 48 G CA -0.226 44.882 45.100 0.014 0.000 0.942 48 G HN 0.554 nan 8.290 nan 0.000 0.400 49 V N 2.079 121.997 119.914 0.005 0.000 3.332 49 V HA 0.430 4.550 4.120 -0.000 0.000 0.305 49 V C 1.720 177.803 176.094 -0.019 0.000 1.114 49 V CA 0.778 63.075 62.300 -0.005 0.000 1.194 49 V CB 1.098 32.919 31.823 -0.004 0.000 1.027 49 V HN 0.995 nan 8.190 nan 0.000 0.492 50 G N 1.096 109.873 108.800 -0.038 0.000 3.213 50 G HA2 0.137 4.097 3.960 -0.000 0.000 0.263 50 G HA3 0.137 4.097 3.960 -0.000 0.000 0.263 50 G C 0.726 175.560 174.900 -0.108 0.000 0.829 50 G CA -0.341 44.722 45.100 -0.061 0.000 1.983 50 G HN 0.809 nan 8.290 nan 0.000 0.616 51 K N 0.258 120.614 120.400 -0.074 0.000 1.967 51 K HA -0.125 4.195 4.320 -0.000 0.000 0.212 51 K C 2.987 179.485 176.600 -0.169 0.000 1.044 51 K CA 1.844 58.077 56.287 -0.090 0.000 0.942 51 K CB -0.242 32.277 32.500 0.032 0.000 0.726 51 K HN 0.467 nan 8.250 nan 0.000 0.440 52 T N -0.810 113.705 114.554 -0.065 0.000 2.759 52 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 52 T C 2.147 176.787 174.700 -0.100 0.000 1.042 52 T CA 2.057 64.125 62.100 -0.052 0.000 1.140 52 T CB -0.288 68.579 68.868 -0.003 0.000 0.864 52 T HN 0.095 nan 8.240 nan 0.000 0.455 53 S N -0.007 115.633 115.700 -0.101 0.000 2.402 53 S HA 0.101 4.571 4.470 -0.000 0.000 0.229 53 S C 1.937 176.460 174.600 -0.129 0.000 1.021 53 S CA 0.945 59.091 58.200 -0.090 0.000 0.974 53 S CB -0.506 62.659 63.200 -0.059 0.000 0.800 53 S HN 0.646 nan 8.310 nan 0.000 0.484 54 I N 1.117 121.542 120.570 -0.242 0.000 2.406 54 I HA -0.036 4.134 4.170 -0.000 0.000 0.249 54 I C 2.688 178.611 176.117 -0.324 0.000 1.122 54 I CA 0.831 61.953 61.300 -0.297 0.000 1.431 54 I CB -0.507 37.182 38.000 -0.518 0.000 1.087 54 I HN 0.311 nan 8.210 nan 0.000 0.424 55 A N 1.065 123.617 122.820 -0.446 0.000 1.940 55 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 55 A C 2.407 179.933 177.584 -0.096 0.000 1.176 55 A CA 1.436 53.315 52.037 -0.263 0.000 0.631 55 A CB -0.548 18.387 19.000 -0.109 0.000 0.814 55 A HN 0.285 nan 8.150 nan 0.000 0.446 56 R N -0.617 119.831 120.500 -0.087 0.000 2.082 56 R HA -0.118 4.222 4.340 -0.000 0.000 0.234 56 R C 2.072 178.323 176.300 -0.082 0.000 1.136 56 R CA 1.768 57.828 56.100 -0.067 0.000 0.935 56 R CB -0.681 29.581 30.300 -0.063 0.000 0.842 56 R HN 0.552 nan 8.270 nan 0.000 0.430 57 L N 0.780 121.969 121.223 -0.058 0.000 2.189 57 L HA -0.212 4.128 4.340 -0.000 0.000 0.214 57 L C 2.395 179.134 176.870 -0.218 0.000 1.097 57 L CA 0.619 55.394 54.840 -0.109 0.000 0.764 57 L CB -0.391 41.705 42.059 0.061 0.000 0.900 57 L HN 0.230 nan 8.230 nan 0.000 0.436 58 L N -0.346 120.860 121.223 -0.029 0.000 2.209 58 L HA 0.066 4.406 4.340 -0.000 0.000 0.207 58 L C 2.535 179.353 176.870 -0.088 0.000 1.094 58 L CA 1.628 56.455 54.840 -0.021 0.000 0.790 58 L CB -0.446 41.641 42.059 0.047 0.000 0.932 58 L HN 0.070 nan 8.230 nan 0.000 0.447 59 A N -0.573 122.204 122.820 -0.071 0.000 1.929 59 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 59 A C 2.396 179.918 177.584 -0.104 0.000 1.176 59 A CA 1.562 53.569 52.037 -0.051 0.000 0.628 59 A CB -0.489 18.496 19.000 -0.025 0.000 0.816 59 A HN 0.437 nan 8.150 nan 0.000 0.444 60 K N -0.484 119.820 120.400 -0.160 0.000 2.147 60 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 60 K C 1.937 178.409 176.600 -0.212 0.000 1.049 60 K CA 1.258 57.417 56.287 -0.213 0.000 0.936 60 K CB -0.397 31.973 32.500 -0.217 0.000 0.722 60 K HN 0.400 nan 8.250 nan 0.000 0.446 61 G N 0.899 109.553 108.800 -0.242 0.000 2.394 61 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.214 61 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.214 61 G C 1.386 176.226 174.900 -0.099 0.000 1.176 61 G CA 0.399 45.355 45.100 -0.240 0.000 0.786 61 G HN 0.199 nan 8.290 nan 0.000 0.533 62 L N 0.437 121.632 121.223 -0.046 0.000 2.265 62 L HA 0.004 4.344 4.340 -0.000 0.000 0.215 62 L C 2.089 179.080 176.870 0.202 0.000 1.117 62 L CA 0.637 55.529 54.840 0.086 0.000 0.782 62 L CB -0.081 41.992 42.059 0.024 0.000 0.914 62 L HN 0.164 nan 8.230 nan 0.000 0.441 63 N N -1.620 117.116 118.700 0.060 0.000 2.273 63 N HA 0.021 4.761 4.740 -0.000 0.000 0.192 63 N C 0.404 175.886 175.510 -0.046 0.000 1.132 63 N CA -0.040 53.032 53.050 0.036 0.000 0.887 63 N CB 0.185 38.653 38.487 -0.031 0.000 1.048 63 N HN 0.172 nan 8.380 nan 0.000 0.490 64 C N 2.618 121.865 119.300 -0.088 0.000 2.378 64 C HA -0.056 4.404 4.460 -0.000 0.000 0.395 64 C C 1.867 176.829 174.990 -0.047 0.000 1.476 64 C CA 0.125 59.086 59.018 -0.095 0.000 1.541 64 C CB -0.418 27.262 27.740 -0.100 0.000 2.524 64 C HN 0.458 nan 8.230 nan 0.000 0.595 65 E N 2.131 122.306 120.200 -0.042 0.000 2.331 65 E HA -0.143 4.207 4.350 -0.000 0.000 0.199 65 E C 1.938 178.528 176.600 -0.017 0.000 1.008 65 E CA 1.711 58.101 56.400 -0.017 0.000 0.843 65 E CB 0.068 29.760 29.700 -0.012 0.000 0.761 65 E HN 0.891 nan 8.360 nan 0.000 0.507 66 T N -0.185 114.352 114.554 -0.027 0.000 2.867 66 T HA 0.054 4.404 4.350 -0.000 0.000 0.268 66 T C 0.721 175.413 174.700 -0.013 0.000 1.057 66 T CA 0.930 63.016 62.100 -0.023 0.000 1.136 66 T CB 0.179 69.028 68.868 -0.032 0.000 0.874 66 T HN 0.426 nan 8.240 nan 0.000 0.466 67 G N -0.008 108.787 108.800 -0.009 0.000 2.352 67 G HA2 0.273 4.233 3.960 -0.000 0.000 0.283 67 G HA3 0.273 4.233 3.960 -0.000 0.000 0.283 67 G C -1.695 173.217 174.900 0.021 0.000 1.308 67 G CA -1.140 43.965 45.100 0.009 0.000 0.892 67 G HN 0.226 nan 8.290 nan 0.000 0.504 68 I N 1.717 122.316 120.570 0.048 0.000 2.352 68 I HA 0.480 4.650 4.170 -0.000 0.000 0.290 68 I C 0.160 176.288 176.117 0.019 0.000 1.036 68 I CA 0.109 61.448 61.300 0.066 0.000 1.336 68 I CB 1.072 39.147 38.000 0.124 0.000 1.407 68 I HN 0.459 nan 8.210 nan 0.000 0.497 69 T N 3.861 118.401 114.554 -0.024 0.000 2.868 69 T HA 0.384 4.734 4.350 -0.000 0.000 0.306 69 T C 0.554 175.187 174.700 -0.112 0.000 1.224 69 T CA -0.487 61.583 62.100 -0.050 0.000 1.012 69 T CB 1.980 70.813 68.868 -0.059 0.000 1.221 69 T HN 0.573 nan 8.240 nan 0.000 0.499 70 A N 0.736 123.506 122.820 -0.084 0.000 2.178 70 A HA 0.274 4.594 4.320 -0.000 0.000 0.211 70 A C 1.027 178.486 177.584 -0.209 0.000 1.157 70 A CA 0.428 52.393 52.037 -0.120 0.000 0.780 70 A CB -0.228 18.806 19.000 0.057 0.000 0.828 70 A HN 0.764 nan 8.150 nan 0.000 0.476 71 T N 0.696 115.164 114.554 -0.143 0.000 3.331 71 T HA 0.502 4.852 4.350 -0.000 0.000 0.381 71 T C -3.072 171.547 174.700 -0.135 0.000 1.656 71 T CA -1.638 60.386 62.100 -0.127 0.000 1.453 71 T CB 0.864 69.695 68.868 -0.061 0.000 1.066 71 T HN 0.012 nan 8.240 nan 0.000 0.655 72 P HA 0.308 nan 4.420 nan 0.000 0.276 72 P C 0.527 177.753 177.300 -0.123 0.000 1.230 72 P CA -0.747 62.259 63.100 -0.157 0.000 0.776 72 P CB 0.284 31.861 31.700 -0.205 0.000 0.888 73 C N 1.162 120.404 119.300 -0.097 0.000 2.593 73 C HA 0.538 4.998 4.460 -0.000 0.000 0.409 73 C C 1.763 176.698 174.990 -0.091 0.000 1.304 73 C CA 0.007 58.977 59.018 -0.080 0.000 2.007 73 C CB -0.197 27.505 27.740 -0.064 0.000 2.614 73 C HN 0.765 nan 8.230 nan 0.000 0.585 74 G N 1.782 110.531 108.800 -0.086 0.000 3.124 74 G HA2 0.202 4.162 3.960 -0.000 0.000 0.212 74 G HA3 0.202 4.162 3.960 -0.000 0.000 0.212 74 G C 0.902 175.753 174.900 -0.082 0.000 1.181 74 G CA 0.784 45.829 45.100 -0.092 0.000 0.803 74 G HN 1.334 nan 8.290 nan 0.000 0.529 75 V N -1.235 118.637 119.914 -0.071 0.000 2.922 75 V HA 0.109 4.229 4.120 -0.000 0.000 0.242 75 V C 1.982 178.045 176.094 -0.053 0.000 1.094 75 V CA -0.040 62.225 62.300 -0.059 0.000 1.106 75 V CB -1.316 30.478 31.823 -0.048 0.000 0.799 75 V HN 0.411 nan 8.190 nan 0.000 0.474 76 C N 1.600 120.867 119.300 -0.055 0.000 2.801 76 C HA 0.184 4.644 4.460 -0.000 0.000 0.376 76 C C 1.793 176.755 174.990 -0.045 0.000 1.323 76 C CA 0.490 59.481 59.018 -0.044 0.000 2.170 76 C CB -0.079 27.635 27.740 -0.044 0.000 2.650 76 C HN 0.601 nan 8.230 nan 0.000 0.736 77 D N 1.068 121.455 120.400 -0.021 0.000 2.178 77 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 77 D C 1.753 178.046 176.300 -0.012 0.000 0.974 77 D CA 1.483 55.483 54.000 0.000 0.000 0.841 77 D CB -0.371 40.451 40.800 0.035 0.000 0.953 77 D HN 0.648 nan 8.370 nan 0.000 0.478 78 N N 0.570 119.239 118.700 -0.052 0.000 2.058 78 N HA -0.119 4.621 4.740 -0.000 0.000 0.191 78 N C 2.028 177.328 175.510 -0.350 0.000 1.037 78 N CA 0.806 53.706 53.050 -0.249 0.000 0.848 78 N CB -0.860 37.480 38.487 -0.246 0.000 1.021 78 N HN 0.190 nan 8.380 nan 0.000 0.422 79 C N 0.829 119.993 119.300 -0.227 0.000 2.413 79 C HA -0.063 4.397 4.460 -0.000 0.000 0.276 79 C C 2.660 177.554 174.990 -0.160 0.000 1.236 79 C CA 0.468 59.366 59.018 -0.201 0.000 1.735 79 C CB -1.000 26.651 27.740 -0.148 0.000 2.031 79 C HN 0.459 nan 8.230 nan 0.000 0.474 80 R N 0.509 120.941 120.500 -0.113 0.000 2.081 80 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 80 R C 2.160 178.421 176.300 -0.064 0.000 1.131 80 R CA 1.524 57.576 56.100 -0.079 0.000 0.960 80 R CB -0.276 29.992 30.300 -0.053 0.000 0.856 80 R HN 0.666 nan 8.270 nan 0.000 0.436 81 E N 0.295 120.466 120.200 -0.048 0.000 2.072 81 E HA -0.139 4.211 4.350 -0.000 0.000 0.190 81 E C 2.004 178.593 176.600 -0.017 0.000 0.982 81 E CA 0.990 57.403 56.400 0.021 0.000 0.803 81 E CB -0.034 29.779 29.700 0.188 0.000 0.755 81 E HN 0.314 nan 8.360 nan 0.000 0.453 82 I N 1.110 121.581 120.570 -0.165 0.000 2.286 82 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 82 I C 2.480 178.541 176.117 -0.094 0.000 1.115 82 I CA 0.976 62.175 61.300 -0.168 0.000 1.392 82 I CB -0.124 37.686 38.000 -0.317 0.000 1.065 82 I HN 0.059 nan 8.210 nan 0.000 0.418 83 E N 1.217 121.357 120.200 -0.100 0.000 2.106 83 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 83 E C 2.052 178.622 176.600 -0.049 0.000 0.984 83 E CA 1.446 57.800 56.400 -0.076 0.000 0.806 83 E CB -0.083 29.566 29.700 -0.085 0.000 0.750 83 E HN 0.477 nan 8.360 nan 0.000 0.458 84 Q N -1.009 118.768 119.800 -0.038 0.000 2.472 84 Q HA 0.138 4.478 4.340 -0.000 0.000 0.208 84 Q C 0.681 176.678 176.000 -0.006 0.000 0.958 84 Q CA 0.469 56.259 55.803 -0.022 0.000 0.932 84 Q CB 0.343 29.071 28.738 -0.017 0.000 1.007 84 Q HN 0.390 nan 8.270 nan 0.000 0.508 85 G N 1.969 110.770 108.800 0.001 0.000 2.272 85 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 85 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 85 G C -0.019 174.904 174.900 0.038 0.000 1.067 85 G CA 0.117 45.228 45.100 0.018 0.000 0.902 85 G HN 0.303 nan 8.290 nan 0.000 0.500 86 R N -0.941 119.598 120.500 0.064 0.000 2.647 86 R HA 0.316 4.656 4.340 -0.000 0.000 0.295 86 R C -0.638 175.744 176.300 0.137 0.000 1.267 86 R CA -0.567 55.574 56.100 0.067 0.000 1.386 86 R CB 0.496 30.819 30.300 0.037 0.000 1.309 86 R HN 0.225 nan 8.270 nan 0.000 0.692 87 F N 0.408 120.336 119.950 -0.036 0.000 2.422 87 F HA 0.206 4.733 4.527 0.000 0.000 0.333 87 F C 1.473 177.248 175.800 -0.043 0.000 1.095 87 F CA -0.902 57.076 58.000 -0.037 0.000 1.038 87 F CB 1.234 40.213 39.000 -0.034 0.000 1.156 87 F HN -0.121 nan 8.300 nan 0.000 0.483 88 V N 2.173 121.728 119.914 -0.599 0.000 2.252 88 V HA -0.283 3.837 4.120 -0.000 0.000 0.249 88 V C 1.520 177.376 176.094 -0.396 0.000 1.056 88 V CA 2.332 64.354 62.300 -0.464 0.000 1.022 88 V CB -0.635 30.880 31.823 -0.514 0.000 0.641 88 V HN 0.739 nan 8.190 nan 0.000 0.445 89 D N 0.056 120.085 120.400 -0.619 0.000 2.347 89 D HA 0.073 4.713 4.640 -0.000 0.000 0.213 89 D C 0.897 177.219 176.300 0.037 0.000 0.985 89 D CA 0.290 54.162 54.000 -0.214 0.000 0.879 89 D CB 0.319 41.039 40.800 -0.134 0.000 0.919 89 D HN 0.345 nan 8.370 nan 0.000 0.526 90 L N 2.248 123.605 121.223 0.223 0.000 2.389 90 L HA 0.258 4.598 4.340 -0.000 0.000 0.265 90 L C -0.347 176.513 176.870 -0.018 0.000 1.167 90 L CA -0.257 54.670 54.840 0.145 0.000 1.045 90 L CB -0.448 41.736 42.059 0.208 0.000 1.351 90 L HN -0.156 nan 8.230 nan 0.000 0.419 91 I N 3.923 124.377 120.570 -0.194 0.000 2.436 91 I HA 0.110 4.280 4.170 -0.000 0.000 0.289 91 I C 0.157 176.184 176.117 -0.149 0.000 1.083 91 I CA 0.096 61.237 61.300 -0.264 0.000 1.372 91 I CB 0.333 37.970 38.000 -0.606 0.000 1.408 91 I HN 0.529 nan 8.210 nan 0.000 0.516 92 E N 7.097 127.267 120.200 -0.049 0.000 2.129 92 E HA 0.534 4.884 4.350 -0.000 0.000 0.268 92 E C -0.939 175.685 176.600 0.039 0.000 0.900 92 E CA -0.600 55.808 56.400 0.014 0.000 0.755 92 E CB 2.003 31.717 29.700 0.023 0.000 1.117 92 E HN 0.390 nan 8.360 nan 0.000 0.410 93 I N 1.485 122.101 120.570 0.078 0.000 2.863 93 I HA 0.309 4.479 4.170 -0.000 0.000 0.311 93 I C -0.430 175.737 176.117 0.083 0.000 1.026 93 I CA -0.558 60.795 61.300 0.088 0.000 1.077 93 I CB 1.596 39.675 38.000 0.132 0.000 1.262 93 I HN 0.381 nan 8.210 nan 0.000 0.461 94 D N 2.072 122.513 120.400 0.069 0.000 2.328 94 D HA 0.472 5.112 4.640 -0.000 0.000 0.243 94 D C 0.393 176.720 176.300 0.046 0.000 1.324 94 D CA -0.356 53.677 54.000 0.056 0.000 0.966 94 D CB 1.275 42.102 40.800 0.044 0.000 1.324 94 D HN 0.584 nan 8.370 nan 0.000 0.549 95 A N 2.963 125.809 122.820 0.044 0.000 2.186 95 A HA 0.042 4.362 4.320 -0.000 0.000 0.219 95 A C 2.162 179.747 177.584 0.003 0.000 1.159 95 A CA 1.697 53.752 52.037 0.030 0.000 0.680 95 A CB -0.436 18.578 19.000 0.024 0.000 0.787 95 A HN 0.637 nan 8.150 nan 0.000 0.467 96 A N 0.106 122.923 122.820 -0.005 0.000 1.933 96 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 96 A C 1.807 179.396 177.584 0.008 0.000 1.175 96 A CA 1.436 53.468 52.037 -0.008 0.000 0.628 96 A CB -0.793 18.208 19.000 0.001 0.000 0.814 96 A HN 0.946 nan 8.150 nan 0.000 0.444 97 S N -1.496 114.215 115.700 0.018 0.000 2.632 97 S HA 0.426 4.896 4.470 -0.000 0.000 0.267 97 S C 0.634 175.247 174.600 0.022 0.000 1.276 97 S CA -0.433 57.779 58.200 0.020 0.000 0.998 97 S CB 0.958 64.171 63.200 0.022 0.000 0.953 97 S HN 0.418 nan 8.310 nan 0.000 0.547 98 R N 0.075 120.587 120.500 0.020 0.000 2.334 98 R HA 0.150 4.490 4.340 -0.000 0.000 0.212 98 R C 0.414 176.726 176.300 0.019 0.000 0.897 98 R CA 0.343 56.455 56.100 0.020 0.000 1.056 98 R CB 0.033 30.343 30.300 0.017 0.000 1.046 98 R HN 0.643 nan 8.270 nan 0.000 0.513 99 T N 1.008 115.573 114.554 0.019 0.000 3.214 99 T HA 0.174 4.524 4.350 -0.000 0.000 0.264 99 T C 0.040 174.751 174.700 0.019 0.000 1.012 99 T CA -0.107 62.003 62.100 0.017 0.000 0.901 99 T CB 0.211 69.088 68.868 0.015 0.000 1.070 99 T HN 0.024 nan 8.240 nan 0.000 0.561 100 K N 1.014 121.429 120.400 0.024 0.000 2.382 100 K HA 0.222 4.542 4.320 -0.000 0.000 0.275 100 K C 1.087 177.702 176.600 0.024 0.000 1.009 100 K CA -0.413 55.891 56.287 0.027 0.000 0.970 100 K CB 1.041 33.562 32.500 0.036 0.000 0.934 100 K HN -0.107 nan 8.250 nan 0.000 0.479 101 V N 2.120 122.047 119.914 0.022 0.000 2.214 101 V HA -0.239 3.881 4.120 -0.000 0.000 0.244 101 V C 0.599 176.707 176.094 0.023 0.000 1.045 101 V CA 1.635 63.946 62.300 0.019 0.000 0.993 101 V CB -0.258 31.575 31.823 0.016 0.000 0.633 101 V HN 0.746 nan 8.190 nan 0.000 0.449 102 E N 0.620 120.838 120.200 0.029 0.000 2.113 102 E HA 0.261 4.611 4.350 -0.000 0.000 0.273 102 E C -1.260 175.370 176.600 0.050 0.000 0.924 102 E CA -0.541 55.881 56.400 0.037 0.000 0.764 102 E CB 1.088 30.812 29.700 0.040 0.000 1.104 102 E HN 0.408 nan 8.360 nan 0.000 0.406 103 D N 1.813 122.243 120.400 0.050 0.000 2.341 103 D HA 0.005 4.645 4.640 -0.000 0.000 0.245 103 D C 1.175 177.525 176.300 0.084 0.000 1.106 103 D CA -0.019 54.019 54.000 0.063 0.000 0.905 103 D CB 1.056 41.889 40.800 0.055 0.000 1.202 103 D HN 0.336 nan 8.370 nan 0.000 0.426 104 T N 1.041 115.655 114.554 0.100 0.000 2.780 104 T HA -0.369 3.981 4.350 -0.000 0.000 0.255 104 T C 1.765 176.537 174.700 0.120 0.000 1.065 104 T CA 2.088 64.264 62.100 0.125 0.000 1.155 104 T CB -0.228 68.714 68.868 0.124 0.000 0.837 104 T HN 0.464 nan 8.240 nan 0.000 0.479 105 R N 0.883 121.443 120.500 0.100 0.000 2.096 105 R HA -0.168 4.172 4.340 -0.000 0.000 0.240 105 R C 2.111 178.464 176.300 0.087 0.000 1.139 105 R CA 2.150 58.302 56.100 0.087 0.000 0.952 105 R CB -0.313 30.038 30.300 0.083 0.000 0.854 105 R HN 0.458 nan 8.270 nan 0.000 0.436 106 D N 0.390 120.842 120.400 0.087 0.000 2.097 106 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 106 D C 2.039 178.410 176.300 0.119 0.000 0.984 106 D CA 1.164 55.217 54.000 0.088 0.000 0.826 106 D CB -0.215 40.628 40.800 0.072 0.000 0.973 106 D HN 0.290 nan 8.370 nan 0.000 0.460 107 L N 0.434 121.741 121.223 0.140 0.000 2.093 107 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 107 L C 2.427 179.464 176.870 0.279 0.000 1.085 107 L CA 0.574 55.534 54.840 0.200 0.000 0.755 107 L CB -0.264 41.918 42.059 0.205 0.000 0.904 107 L HN 0.008 nan 8.230 nan 0.000 0.435 108 L N -0.885 120.462 121.223 0.207 0.000 2.478 108 L HA -0.128 4.212 4.340 -0.000 0.000 0.223 108 L C 2.114 179.035 176.870 0.085 0.000 1.140 108 L CA 0.474 55.392 54.840 0.130 0.000 0.842 108 L CB -0.526 41.576 42.059 0.072 0.000 0.953 108 L HN 0.343 nan 8.230 nan 0.000 0.452 109 D N 1.016 121.482 120.400 0.110 0.000 2.097 109 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 109 D C 1.151 177.515 176.300 0.106 0.000 0.989 109 D CA 1.045 55.098 54.000 0.089 0.000 0.827 109 D CB 0.184 41.044 40.800 0.099 0.000 0.966 109 D HN 0.322 nan 8.370 nan 0.000 0.456 110 N N 0.625 119.446 118.700 0.201 0.000 2.421 110 N HA -0.045 4.695 4.740 -0.000 0.000 0.201 110 N C 1.642 177.303 175.510 0.251 0.000 1.198 110 N CA -0.046 53.197 53.050 0.322 0.000 0.838 110 N CB 0.633 39.425 38.487 0.509 0.000 1.011 110 N HN 0.108 nan 8.380 nan 0.000 0.463 111 V N 1.314 121.303 119.914 0.124 0.000 2.317 111 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 111 V C 2.051 178.197 176.094 0.085 0.000 1.065 111 V CA 1.729 64.061 62.300 0.054 0.000 1.049 111 V CB -0.306 31.462 31.823 -0.091 0.000 0.651 111 V HN 0.445 nan 8.190 nan 0.000 0.450 112 Q N -1.852 117.943 119.800 -0.007 0.000 2.482 112 Q HA -0.025 4.315 4.340 -0.000 0.000 0.209 112 Q C -0.112 175.945 176.000 0.095 0.000 0.961 112 Q CA 0.186 56.011 55.803 0.037 0.000 0.945 112 Q CB -0.050 28.644 28.738 -0.073 0.000 1.012 112 Q HN 0.649 nan 8.270 nan 0.000 0.515 113 Y N 0.878 121.308 120.300 0.217 0.000 2.393 113 Y HA 0.222 4.772 4.550 0.000 0.000 0.338 113 Y C 0.748 176.700 175.900 0.087 0.000 1.029 113 Y CA -0.981 57.184 58.100 0.108 0.000 1.239 113 Y CB 0.601 39.108 38.460 0.080 0.000 1.170 113 Y HN 0.057 nan 8.280 nan 0.000 0.515 114 A N 7.348 130.142 122.820 -0.043 0.000 2.507 114 A HA 0.155 4.475 4.320 -0.000 0.000 0.235 114 A C -2.128 175.437 177.584 -0.033 0.000 1.070 114 A CA -1.198 50.627 52.037 -0.352 0.000 0.768 114 A CB -0.477 18.314 19.000 -0.348 0.000 1.011 114 A HN 0.530 nan 8.150 nan 0.000 0.502 115 P HA 0.172 nan 4.420 nan 0.000 0.269 115 P C 0.300 177.568 177.300 -0.055 0.000 1.215 115 P CA 0.526 63.634 63.100 0.012 0.000 0.780 115 P CB 1.052 32.775 31.700 0.038 0.000 0.898 116 A N 2.089 124.853 122.820 -0.094 0.000 2.178 116 A HA 0.087 4.407 4.320 -0.000 0.000 0.211 116 A C 1.089 178.598 177.584 -0.125 0.000 1.157 116 A CA 0.856 52.824 52.037 -0.114 0.000 0.780 116 A CB -0.392 18.524 19.000 -0.139 0.000 0.828 116 A HN 0.564 nan 8.150 nan 0.000 0.476 117 R N -2.252 118.163 120.500 -0.141 0.000 2.604 117 R HA 0.481 4.821 4.340 -0.000 0.000 0.261 117 R C -0.255 176.057 176.300 0.020 0.000 1.080 117 R CA 0.542 56.584 56.100 -0.097 0.000 0.917 117 R CB 0.444 30.628 30.300 -0.194 0.000 1.252 117 R HN 1.372 nan 8.270 nan 0.000 0.456 118 G N 2.665 111.523 108.800 0.097 0.000 2.757 118 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.686 118 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.686 118 G C 0.169 175.083 174.900 0.023 0.000 1.452 118 G CA 0.039 45.229 45.100 0.150 0.000 0.922 118 G HN 0.767 nan 8.290 nan 0.000 0.588 119 R N -0.036 120.416 120.500 -0.080 0.000 2.119 119 R HA -0.078 4.262 4.340 -0.000 0.000 0.246 119 R C 0.751 176.645 176.300 -0.675 0.000 1.146 119 R CA 1.951 57.796 56.100 -0.424 0.000 0.962 119 R CB -0.129 29.824 30.300 -0.578 0.000 0.863 119 R HN 0.410 nan 8.270 nan 0.000 0.442 120 F N -0.938 119.092 119.950 0.134 0.000 2.603 120 F HA 0.393 4.920 4.527 -0.000 0.000 0.317 120 F C -0.102 175.790 175.800 0.153 0.000 1.066 120 F CA -1.237 56.850 58.000 0.146 0.000 0.941 120 F CB 1.506 40.580 39.000 0.122 0.000 1.291 120 F HN -0.365 nan 8.300 nan 0.000 0.472 121 K N 1.838 122.458 120.400 0.366 0.000 2.281 121 K HA 0.628 4.948 4.320 -0.000 0.000 0.272 121 K C -1.621 175.102 176.600 0.205 0.000 1.048 121 K CA -0.330 56.102 56.287 0.242 0.000 0.898 121 K CB 1.037 33.721 32.500 0.308 0.000 1.128 121 K HN 0.499 nan 8.250 nan 0.000 0.460 122 V N 5.606 125.591 119.914 0.119 0.000 2.370 122 V HA 0.247 4.367 4.120 -0.000 0.000 0.283 122 V C -0.967 175.097 176.094 -0.051 0.000 1.023 122 V CA -0.804 61.541 62.300 0.075 0.000 0.857 122 V CB 0.797 32.681 31.823 0.101 0.000 0.985 122 V HN 0.591 nan 8.190 nan 0.000 0.443 123 Y N 5.229 125.438 120.300 -0.152 0.000 2.367 123 Y HA 0.546 5.096 4.550 0.000 0.000 0.342 123 Y C -0.081 175.852 175.900 0.055 0.000 0.979 123 Y CA -0.785 57.270 58.100 -0.074 0.000 1.161 123 Y CB 1.489 39.828 38.460 -0.202 0.000 1.155 123 Y HN 0.495 nan 8.280 nan 0.000 0.503 124 L N 6.510 127.819 121.223 0.144 0.000 2.294 124 L HA 0.604 4.944 4.340 -0.000 0.000 0.283 124 L C -1.124 175.850 176.870 0.173 0.000 1.015 124 L CA -0.872 54.067 54.840 0.165 0.000 0.831 124 L CB 0.217 42.338 42.059 0.102 0.000 1.217 124 L HN 0.455 nan 8.230 nan 0.000 0.420 125 I N 4.253 124.952 120.570 0.214 0.000 2.382 125 I HA 0.344 4.514 4.170 -0.000 0.000 0.286 125 I C -0.554 175.660 176.117 0.162 0.000 1.002 125 I CA -0.719 60.694 61.300 0.187 0.000 1.135 125 I CB 1.634 39.764 38.000 0.217 0.000 1.288 125 I HN 0.474 nan 8.210 nan 0.000 0.448 126 D N 6.497 126.971 120.400 0.124 0.000 2.256 126 D HA 0.106 4.746 4.640 -0.000 0.000 0.250 126 D C 0.242 176.593 176.300 0.084 0.000 1.093 126 D CA 0.374 54.439 54.000 0.109 0.000 0.882 126 D CB 0.930 41.779 40.800 0.081 0.000 1.185 126 D HN 0.412 nan 8.370 nan 0.000 0.437 127 E N 2.015 122.274 120.200 0.098 0.000 2.252 127 E HA -0.140 4.210 4.350 -0.000 0.000 0.218 127 E C 1.482 178.053 176.600 -0.049 0.000 1.253 127 E CA 0.644 57.052 56.400 0.015 0.000 0.705 127 E CB -1.960 27.674 29.700 -0.111 0.000 1.172 127 E HN 0.427 nan 8.360 nan 0.000 0.369 128 V N -0.795 119.188 119.914 0.115 0.000 2.453 128 V HA -0.332 3.788 4.120 -0.000 0.000 0.252 128 V C 2.391 178.593 176.094 0.179 0.000 1.068 128 V CA 2.331 64.726 62.300 0.159 0.000 1.070 128 V CB -1.047 30.901 31.823 0.209 0.000 0.664 128 V HN 0.682 nan 8.190 nan 0.000 0.461 129 H N -0.556 118.599 119.070 0.142 0.000 2.568 129 H HA 0.025 4.581 4.556 -0.000 0.000 0.281 129 H C 1.552 176.906 175.328 0.042 0.000 1.028 129 H CA 1.294 57.390 56.048 0.081 0.000 1.199 129 H CB -0.203 29.587 29.762 0.048 0.000 1.352 129 H HN 0.406 nan 8.280 nan 0.000 0.605 130 M N 0.806 120.221 119.600 -0.309 0.000 2.337 130 M HA 0.235 4.715 4.480 -0.000 0.000 0.256 130 M C 0.659 176.937 176.300 -0.037 0.000 1.075 130 M CA -0.309 54.865 55.300 -0.210 0.000 1.024 130 M CB 0.289 32.724 32.600 -0.274 0.000 1.429 130 M HN 0.105 nan 8.290 nan 0.000 0.497 131 L N 2.121 123.375 121.223 0.053 0.000 2.485 131 L HA 0.002 4.342 4.340 -0.000 0.000 0.275 131 L C 0.978 177.915 176.870 0.113 0.000 1.207 131 L CA -0.193 54.725 54.840 0.129 0.000 0.855 131 L CB 0.370 42.579 42.059 0.250 0.000 1.114 131 L HN 0.307 nan 8.230 nan 0.000 0.485 132 S N 2.707 118.484 115.700 0.128 0.000 2.572 132 S HA 0.089 4.559 4.470 -0.000 0.000 0.279 132 S C 1.165 175.815 174.600 0.084 0.000 1.341 132 S CA -0.561 57.720 58.200 0.136 0.000 1.043 132 S CB 0.970 64.348 63.200 0.297 0.000 0.887 132 S HN 0.763 nan 8.310 nan 0.000 0.516 133 R N 1.405 121.836 120.500 -0.115 0.000 2.139 133 R HA -0.221 4.119 4.340 -0.000 0.000 0.243 133 R C 1.412 177.638 176.300 -0.124 0.000 1.145 133 R CA 2.159 58.162 56.100 -0.162 0.000 0.976 133 R CB -1.269 28.860 30.300 -0.285 0.000 0.866 133 R HN 0.865 nan 8.270 nan 0.000 0.449 134 H N 1.241 120.358 119.070 0.078 0.000 2.319 134 H HA -0.111 4.445 4.556 -0.000 0.000 0.297 134 H C 2.430 177.803 175.328 0.075 0.000 1.097 134 H CA 2.352 58.438 56.048 0.065 0.000 1.285 134 H CB -0.110 29.681 29.762 0.048 0.000 1.368 134 H HN 0.519 nan 8.280 nan 0.000 0.495 135 S N -0.380 115.439 115.700 0.199 0.000 2.439 135 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 135 S C 1.943 176.608 174.600 0.108 0.000 1.029 135 S CA 0.218 58.501 58.200 0.137 0.000 0.946 135 S CB -0.537 62.744 63.200 0.135 0.000 0.797 135 S HN 0.348 nan 8.310 nan 0.000 0.504 136 F N 3.922 123.874 119.950 0.003 0.000 2.120 136 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 136 F C 2.072 177.847 175.800 -0.041 0.000 1.095 136 F CA 1.718 59.705 58.000 -0.021 0.000 1.249 136 F CB -0.510 38.472 39.000 -0.030 0.000 0.995 136 F HN 0.163 nan 8.300 nan 0.000 0.480 137 N N 0.474 119.250 118.700 0.126 0.000 2.309 137 N HA -0.129 4.611 4.740 -0.000 0.000 0.182 137 N C 1.951 177.415 175.510 -0.077 0.000 1.018 137 N CA 1.080 54.145 53.050 0.025 0.000 0.876 137 N CB -0.421 38.105 38.487 0.066 0.000 0.972 137 N HN 0.433 nan 8.380 nan 0.000 0.434 138 A N 1.083 123.866 122.820 -0.062 0.000 1.930 138 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 138 A C 2.192 179.672 177.584 -0.172 0.000 1.175 138 A CA 0.779 52.770 52.037 -0.076 0.000 0.627 138 A CB -0.474 18.513 19.000 -0.021 0.000 0.815 138 A HN 0.213 nan 8.150 nan 0.000 0.443 139 L N -0.505 120.558 121.223 -0.266 0.000 2.156 139 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 139 L C 2.122 178.703 176.870 -0.481 0.000 1.095 139 L CA 1.324 55.909 54.840 -0.426 0.000 0.770 139 L CB -0.429 41.338 42.059 -0.488 0.000 0.914 139 L HN 0.373 nan 8.230 nan 0.000 0.439 140 L N -0.708 120.254 121.223 -0.436 0.000 2.046 140 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 140 L C 2.546 179.280 176.870 -0.227 0.000 1.077 140 L CA 1.408 56.049 54.840 -0.332 0.000 0.747 140 L CB -0.408 41.516 42.059 -0.224 0.000 0.896 140 L HN 0.279 nan 8.230 nan 0.000 0.432 141 K N -0.860 119.428 120.400 -0.185 0.000 2.103 141 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 141 K C 1.974 178.479 176.600 -0.159 0.000 1.052 141 K CA 1.661 57.866 56.287 -0.136 0.000 0.945 141 K CB -0.190 32.254 32.500 -0.094 0.000 0.722 141 K HN 0.324 nan 8.250 nan 0.000 0.443 142 T N 2.159 116.582 114.554 -0.219 0.000 2.821 142 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 142 T C 1.896 176.442 174.700 -0.257 0.000 1.046 142 T CA 0.918 62.880 62.100 -0.230 0.000 1.139 142 T CB -0.147 68.544 68.868 -0.295 0.000 0.871 142 T HN 0.105 nan 8.240 nan 0.000 0.454 143 L N 0.688 121.708 121.223 -0.339 0.000 2.201 143 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 143 L C 2.654 179.447 176.870 -0.129 0.000 1.105 143 L CA 1.154 55.839 54.840 -0.258 0.000 0.775 143 L CB -0.567 41.316 42.059 -0.294 0.000 0.913 143 L HN 0.351 nan 8.230 nan 0.000 0.440 144 E N 0.364 120.490 120.200 -0.123 0.000 2.106 144 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 144 E C 0.264 176.828 176.600 -0.060 0.000 0.984 144 E CA 0.873 57.228 56.400 -0.074 0.000 0.806 144 E CB 0.133 29.790 29.700 -0.071 0.000 0.750 144 E HN 0.487 nan 8.360 nan 0.000 0.458 145 E N 0.844 120.993 120.200 -0.085 0.000 3.386 145 E HA 0.167 4.517 4.350 -0.000 0.000 0.236 145 E C -2.557 173.972 176.600 -0.119 0.000 1.227 145 E CA -1.364 54.985 56.400 -0.085 0.000 0.970 145 E CB 1.437 31.099 29.700 -0.064 0.000 1.343 145 E HN 0.076 nan 8.360 nan 0.000 0.397 146 P HA 0.237 nan 4.420 nan 0.000 0.292 146 P C -2.484 174.671 177.300 -0.243 0.000 1.287 146 P CA -1.658 61.332 63.100 -0.184 0.000 0.800 146 P CB 0.728 32.323 31.700 -0.175 0.000 0.945 147 P HA 0.098 nan 4.420 nan 0.000 0.268 147 P C 0.790 177.961 177.300 -0.214 0.000 1.204 147 P CA 0.128 63.103 63.100 -0.208 0.000 0.768 147 P CB 1.070 32.572 31.700 -0.331 0.000 0.842 148 E N 0.937 121.105 120.200 -0.053 0.000 2.463 148 E HA -0.214 4.136 4.350 -0.000 0.000 0.201 148 E C 1.074 177.791 176.600 0.195 0.000 1.045 148 E CA 0.745 57.186 56.400 0.068 0.000 0.872 148 E CB -0.210 29.567 29.700 0.128 0.000 0.797 148 E HN 0.651 nan 8.360 nan 0.000 0.538 149 H N -3.108 116.059 119.070 0.162 0.000 2.551 149 H HA 0.283 4.839 4.556 -0.000 0.000 0.271 149 H C -0.049 175.453 175.328 0.289 0.000 0.984 149 H CA -0.400 55.777 56.048 0.214 0.000 1.164 149 H CB 0.221 30.029 29.762 0.078 0.000 1.437 149 H HN -0.161 nan 8.280 nan 0.000 0.550 150 V N 1.280 121.132 119.914 -0.103 0.000 2.715 150 V HA 0.402 4.522 4.120 -0.000 0.000 0.310 150 V C -0.417 175.655 176.094 -0.037 0.000 1.054 150 V CA -1.077 61.179 62.300 -0.072 0.000 0.928 150 V CB 2.085 33.738 31.823 -0.284 0.000 1.007 150 V HN 0.222 nan 8.190 nan 0.000 0.437 151 K N 2.690 123.034 120.400 -0.094 0.000 2.422 151 K HA 0.596 4.916 4.320 -0.000 0.000 0.251 151 K C -1.629 174.864 176.600 -0.179 0.000 0.933 151 K CA -0.340 55.933 56.287 -0.024 0.000 0.798 151 K CB 2.444 34.959 32.500 0.024 0.000 1.238 151 K HN 0.464 nan 8.250 nan 0.000 0.428 152 F N 2.477 122.549 119.950 0.203 0.000 2.402 152 F HA 0.411 4.938 4.527 0.000 0.000 0.355 152 F C 0.320 176.270 175.800 0.249 0.000 1.123 152 F CA -0.734 57.389 58.000 0.204 0.000 1.021 152 F CB 1.092 40.154 39.000 0.103 0.000 1.160 152 F HN 0.087 nan 8.300 nan 0.000 0.451 153 L N 6.026 127.473 121.223 0.373 0.000 2.335 153 L HA 0.440 4.780 4.340 -0.000 0.000 0.268 153 L C -0.573 176.513 176.870 0.360 0.000 1.037 153 L CA -0.315 54.755 54.840 0.384 0.000 0.895 153 L CB 0.381 42.631 42.059 0.320 0.000 1.266 153 L HN 0.517 nan 8.230 nan 0.000 0.439 154 L N 2.514 123.933 121.223 0.326 0.000 2.399 154 L HA 0.846 5.186 4.340 -0.000 0.000 0.265 154 L C 0.310 177.353 176.870 0.288 0.000 1.089 154 L CA -0.445 54.554 54.840 0.264 0.000 0.802 154 L CB 1.497 43.669 42.059 0.187 0.000 1.180 154 L HN 0.611 nan 8.230 nan 0.000 0.454 155 A N 0.826 123.799 122.820 0.255 0.000 2.547 155 A HA 0.720 5.040 4.320 -0.000 0.000 0.297 155 A C -0.795 176.917 177.584 0.214 0.000 1.056 155 A CA -0.399 51.797 52.037 0.264 0.000 0.688 155 A CB 2.148 21.308 19.000 0.265 0.000 1.282 155 A HN 0.568 nan 8.150 nan 0.000 0.400 156 T N -0.075 114.595 114.554 0.194 0.000 2.923 156 T HA 0.518 4.868 4.350 -0.000 0.000 0.311 156 T C 0.581 175.357 174.700 0.127 0.000 1.183 156 T CA 0.457 62.690 62.100 0.221 0.000 1.020 156 T CB 1.738 70.750 68.868 0.241 0.000 1.165 156 T HN 0.539 nan 8.240 nan 0.000 0.482 157 T N 1.694 116.334 114.554 0.143 0.000 3.035 157 T HA 0.156 4.506 4.350 -0.000 0.000 0.259 157 T C 0.054 174.713 174.700 -0.068 0.000 1.078 157 T CA 0.578 62.710 62.100 0.053 0.000 1.132 157 T CB -0.005 68.935 68.868 0.119 0.000 0.900 157 T HN 0.456 nan 8.240 nan 0.000 0.480 158 D N 0.586 120.814 120.400 -0.287 0.000 2.412 158 D HA 0.294 4.934 4.640 -0.000 0.000 0.276 158 D C -2.070 174.079 176.300 -0.253 0.000 1.196 158 D CA -2.111 51.683 54.000 -0.343 0.000 0.905 158 D CB 1.666 42.085 40.800 -0.635 0.000 1.081 158 D HN 0.030 nan 8.370 nan 0.000 0.502 159 P HA -0.153 nan 4.420 nan 0.000 0.218 159 P C 1.672 178.959 177.300 -0.022 0.000 1.149 159 P CA 0.983 64.076 63.100 -0.013 0.000 0.817 159 P CB 0.341 32.066 31.700 0.041 0.000 0.785 160 Q N 0.959 120.737 119.800 -0.038 0.000 2.077 160 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 160 Q C 1.700 177.676 176.000 -0.040 0.000 0.989 160 Q CA 1.644 57.427 55.803 -0.034 0.000 0.853 160 Q CB -1.367 27.349 28.738 -0.035 0.000 0.907 160 Q HN 0.292 nan 8.270 nan 0.000 0.418 161 K N 0.511 120.871 120.400 -0.068 0.000 2.442 161 K HA 0.003 4.323 4.320 -0.000 0.000 0.200 161 K C 0.677 177.261 176.600 -0.026 0.000 1.045 161 K CA 0.331 56.587 56.287 -0.053 0.000 0.937 161 K CB -0.205 32.256 32.500 -0.065 0.000 0.757 161 K HN 0.225 nan 8.250 nan 0.000 0.474 162 L N 2.074 123.300 121.223 0.004 0.000 2.375 162 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 162 L C -1.921 174.965 176.870 0.027 0.000 1.107 162 L CA -2.184 52.684 54.840 0.046 0.000 0.806 162 L CB 0.404 42.532 42.059 0.115 0.000 1.146 162 L HN -0.062 nan 8.230 nan 0.000 0.447 163 P HA 0.111 nan 4.420 nan 0.000 0.278 163 P C 0.729 178.056 177.300 0.046 0.000 1.258 163 P CA -0.530 62.590 63.100 0.033 0.000 0.811 163 P CB 1.537 33.265 31.700 0.046 0.000 1.063 164 V N 0.976 120.901 119.914 0.018 0.000 2.469 164 V HA -0.236 3.884 4.120 -0.000 0.000 0.251 164 V C 2.600 178.699 176.094 0.007 0.000 1.064 164 V CA 2.798 65.101 62.300 0.004 0.000 1.066 164 V CB -2.119 29.699 31.823 -0.008 0.000 0.667 164 V HN 0.700 nan 8.190 nan 0.000 0.461 165 T N -0.559 114.011 114.554 0.027 0.000 2.685 165 T HA -0.283 4.067 4.350 -0.000 0.000 0.268 165 T C 1.847 176.548 174.700 0.002 0.000 1.034 165 T CA 2.227 64.339 62.100 0.020 0.000 1.149 165 T CB -0.372 68.529 68.868 0.054 0.000 0.860 165 T HN 0.463 nan 8.240 nan 0.000 0.449 166 I N 0.182 120.774 120.570 0.037 0.000 2.494 166 I HA 0.124 4.294 4.170 -0.000 0.000 0.250 166 I C 2.154 178.257 176.117 -0.024 0.000 1.112 166 I CA 0.478 61.775 61.300 -0.005 0.000 1.438 166 I CB 0.028 38.061 38.000 0.056 0.000 1.111 166 I HN 0.161 nan 8.210 nan 0.000 0.431 167 L N 0.406 121.626 121.223 -0.005 0.000 2.131 167 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 167 L C 2.527 179.356 176.870 -0.067 0.000 1.092 167 L CA 1.540 56.359 54.840 -0.035 0.000 0.759 167 L CB -0.851 41.194 42.059 -0.023 0.000 0.903 167 L HN 0.350 nan 8.230 nan 0.000 0.435 168 S N -0.539 115.127 115.700 -0.057 0.000 2.522 168 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 168 S C 1.641 176.190 174.600 -0.086 0.000 0.986 168 S CA 0.302 58.460 58.200 -0.070 0.000 0.929 168 S CB -0.164 63.005 63.200 -0.051 0.000 0.769 168 S HN 0.443 nan 8.310 nan 0.000 0.529 169 R N -0.236 120.212 120.500 -0.088 0.000 2.586 169 R HA 0.431 4.771 4.340 -0.000 0.000 0.336 169 R C -0.828 175.402 176.300 -0.118 0.000 1.060 169 R CA -0.226 55.818 56.100 -0.093 0.000 1.079 169 R CB 0.285 30.536 30.300 -0.082 0.000 1.317 169 R HN 0.337 nan 8.270 nan 0.000 0.568 170 C N -0.126 119.080 119.300 -0.157 0.000 3.171 170 C HA 0.454 4.914 4.460 -0.000 0.000 0.308 170 C C -1.110 173.692 174.990 -0.313 0.000 1.334 170 C CA -1.110 57.784 59.018 -0.207 0.000 1.473 170 C CB 1.761 29.418 27.740 -0.138 0.000 1.866 170 C HN 0.238 nan 8.230 nan 0.000 0.465 171 L N 2.332 123.292 121.223 -0.438 0.000 2.276 171 L HA 0.410 4.750 4.340 -0.000 0.000 0.286 171 L C -0.038 176.565 176.870 -0.445 0.000 1.024 171 L CA 0.442 54.958 54.840 -0.541 0.000 0.826 171 L CB 0.614 42.207 42.059 -0.777 0.000 1.211 171 L HN 0.689 nan 8.230 nan 0.000 0.422 172 Q N 3.833 123.394 119.800 -0.399 0.000 2.340 172 Q HA 0.374 4.714 4.340 -0.000 0.000 0.249 172 Q C -1.440 174.301 176.000 -0.431 0.000 0.957 172 Q CA 0.205 55.834 55.803 -0.289 0.000 0.882 172 Q CB 1.282 29.927 28.738 -0.155 0.000 1.235 172 Q HN 0.499 nan 8.270 nan 0.000 0.439 173 F N 0.928 120.824 119.950 -0.090 0.000 2.671 173 F HA 0.196 4.723 4.527 0.000 0.000 0.332 173 F C -0.167 175.701 175.800 0.114 0.000 1.189 173 F CA -0.641 57.377 58.000 0.031 0.000 0.988 173 F CB 1.271 40.310 39.000 0.065 0.000 1.258 173 F HN 0.503 nan 8.300 nan 0.000 0.471 174 H N 4.683 123.904 119.070 0.252 0.000 2.487 174 H HA 0.589 5.145 4.556 -0.000 0.000 0.333 174 H C -1.055 174.386 175.328 0.188 0.000 1.114 174 H CA -0.327 55.828 56.048 0.178 0.000 1.310 174 H CB 1.535 31.354 29.762 0.095 0.000 1.462 174 H HN 0.547 nan 8.280 nan 0.000 0.516 175 L N 5.343 126.602 121.223 0.059 0.000 2.319 175 L HA 0.252 4.592 4.340 -0.000 0.000 0.281 175 L C -0.009 176.956 176.870 0.159 0.000 1.005 175 L CA -1.075 53.830 54.840 0.107 0.000 0.828 175 L CB 1.389 43.465 42.059 0.029 0.000 1.227 175 L HN 0.341 nan 8.230 nan 0.000 0.415 176 K N 2.382 122.885 120.400 0.172 0.000 2.326 176 K HA 0.454 4.774 4.320 -0.000 0.000 0.275 176 K C 0.187 176.837 176.600 0.084 0.000 1.018 176 K CA -0.222 56.153 56.287 0.146 0.000 0.962 176 K CB 1.443 34.005 32.500 0.103 0.000 0.953 176 K HN 0.641 nan 8.250 nan 0.000 0.475 177 A N 3.323 126.189 122.820 0.076 0.000 2.366 177 A HA 0.297 4.617 4.320 -0.000 0.000 0.249 177 A C 0.213 177.816 177.584 0.031 0.000 1.084 177 A CA -0.449 51.616 52.037 0.045 0.000 0.794 177 A CB 0.126 19.152 19.000 0.044 0.000 1.034 177 A HN 0.648 nan 8.150 nan 0.000 0.491 178 L N 1.047 122.281 121.223 0.017 0.000 2.395 178 L HA 0.181 4.521 4.340 -0.000 0.000 0.269 178 L C 0.434 177.309 176.870 0.007 0.000 1.133 178 L CA -0.680 54.165 54.840 0.008 0.000 0.812 178 L CB 0.649 42.708 42.059 -0.000 0.000 1.125 178 L HN 0.724 nan 8.230 nan 0.000 0.452 179 D N 1.214 121.616 120.400 0.004 0.000 2.424 179 D HA 0.011 4.651 4.640 -0.000 0.000 0.244 179 D C 0.979 177.281 176.300 0.003 0.000 1.134 179 D CA -0.100 53.902 54.000 0.003 0.000 0.881 179 D CB 1.776 42.575 40.800 -0.002 0.000 1.191 179 D HN 0.221 nan 8.370 nan 0.000 0.445 180 V N 4.352 124.269 119.914 0.005 0.000 2.324 180 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 180 V C 1.998 178.097 176.094 0.008 0.000 1.060 180 V CA 1.858 64.160 62.300 0.004 0.000 1.042 180 V CB -0.549 31.276 31.823 0.005 0.000 0.650 180 V HN 0.647 nan 8.190 nan 0.000 0.450 181 E N -0.709 119.498 120.200 0.011 0.000 2.516 181 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 181 E C 2.059 178.676 176.600 0.028 0.000 1.069 181 E CA 0.359 56.772 56.400 0.022 0.000 0.876 181 E CB 0.035 29.746 29.700 0.018 0.000 0.843 181 E HN 0.653 nan 8.360 nan 0.000 0.530 182 Q N 0.238 120.045 119.800 0.010 0.000 2.226 182 Q HA 0.025 4.365 4.340 -0.000 0.000 0.199 182 Q C 2.061 178.070 176.000 0.015 0.000 0.945 182 Q CA 0.366 56.167 55.803 -0.004 0.000 0.861 182 Q CB 0.347 29.074 28.738 -0.018 0.000 0.953 182 Q HN 0.258 nan 8.270 nan 0.000 0.490 183 I N 0.419 120.993 120.570 0.008 0.000 2.286 183 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 183 I C 2.640 178.756 176.117 -0.002 0.000 1.104 183 I CA 0.782 62.080 61.300 -0.003 0.000 1.397 183 I CB -0.303 37.690 38.000 -0.012 0.000 1.072 183 I HN 0.189 nan 8.210 nan 0.000 0.417 184 R N 0.528 121.034 120.500 0.010 0.000 2.091 184 R HA -0.257 4.083 4.340 -0.000 0.000 0.238 184 R C 2.454 178.763 176.300 0.015 0.000 1.136 184 R CA 1.787 57.887 56.100 -0.000 0.000 0.959 184 R CB -0.719 29.587 30.300 0.011 0.000 0.856 184 R HN 0.449 nan 8.270 nan 0.000 0.437 185 H N 0.223 119.271 119.070 -0.036 0.000 2.421 185 H HA -0.125 4.431 4.556 0.000 0.000 0.298 185 H C 1.647 176.953 175.328 -0.038 0.000 1.087 185 H CA 1.898 57.930 56.048 -0.026 0.000 1.330 185 H CB 0.282 30.030 29.762 -0.023 0.000 1.388 185 H HN 0.234 nan 8.280 nan 0.000 0.526 186 Q N 0.323 120.197 119.800 0.124 0.000 2.269 186 Q HA 0.057 4.396 4.340 -0.000 0.000 0.201 186 Q C 2.563 178.499 176.000 -0.106 0.000 0.946 186 Q CA 0.572 56.396 55.803 0.035 0.000 0.877 186 Q CB -0.053 28.685 28.738 0.001 0.000 0.963 186 Q HN 0.480 nan 8.270 nan 0.000 0.472 187 L N -0.090 121.053 121.223 -0.134 0.000 2.072 187 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 187 L C 2.353 179.047 176.870 -0.295 0.000 1.079 187 L CA 1.434 56.141 54.840 -0.222 0.000 0.752 187 L CB -0.371 41.579 42.059 -0.180 0.000 0.906 187 L HN 0.366 nan 8.230 nan 0.000 0.436 188 E N -0.587 119.459 120.200 -0.257 0.000 2.130 188 E HA -0.313 4.037 4.350 -0.000 0.000 0.196 188 E C 2.201 178.665 176.600 -0.227 0.000 0.998 188 E CA 1.369 57.592 56.400 -0.296 0.000 0.806 188 E CB -0.036 29.555 29.700 -0.182 0.000 0.738 188 E HN 0.468 nan 8.360 nan 0.000 0.459 189 H N 0.169 119.071 119.070 -0.279 0.000 2.333 189 H HA -0.038 4.519 4.556 0.000 0.000 0.302 189 H C 2.264 177.462 175.328 -0.217 0.000 1.075 189 H CA 1.513 57.440 56.048 -0.201 0.000 1.348 189 H CB -0.003 29.671 29.762 -0.146 0.000 1.393 189 H HN 0.230 nan 8.280 nan 0.000 0.509 190 I N 0.787 121.183 120.570 -0.291 0.000 2.163 190 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 190 I C 2.617 178.548 176.117 -0.310 0.000 1.085 190 I CA 0.922 61.854 61.300 -0.613 0.000 1.347 190 I CB -0.204 37.138 38.000 -1.096 0.000 1.044 190 I HN 0.203 nan 8.210 nan 0.000 0.408 191 L N 0.227 121.281 121.223 -0.280 0.000 2.046 191 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 191 L C 2.285 179.142 176.870 -0.022 0.000 1.077 191 L CA 1.210 55.958 54.840 -0.153 0.000 0.747 191 L CB -0.830 41.055 42.059 -0.291 0.000 0.896 191 L HN 0.316 nan 8.230 nan 0.000 0.432 192 N N 0.230 118.891 118.700 -0.066 0.000 2.120 192 N HA -0.236 4.504 4.740 -0.000 0.000 0.188 192 N C 1.774 177.296 175.510 0.020 0.000 1.024 192 N CA 1.309 54.337 53.050 -0.036 0.000 0.852 192 N CB -0.186 38.236 38.487 -0.109 0.000 1.003 192 N HN 0.377 nan 8.380 nan 0.000 0.424 193 E N 0.409 120.614 120.200 0.008 0.000 2.409 193 E HA -0.091 4.259 4.350 -0.000 0.000 0.198 193 E C 0.658 177.432 176.600 0.290 0.000 1.024 193 E CA 0.735 57.231 56.400 0.159 0.000 0.861 193 E CB 0.246 30.075 29.700 0.214 0.000 0.788 193 E HN 0.216 nan 8.360 nan 0.000 0.521 194 E N -0.383 119.973 120.200 0.260 0.000 2.476 194 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 194 E C -0.429 176.333 176.600 0.270 0.000 1.021 194 E CA 0.089 56.622 56.400 0.222 0.000 0.907 194 E CB 0.152 29.960 29.700 0.180 0.000 0.974 194 E HN 0.399 nan 8.360 nan 0.000 0.489 195 H N -0.018 119.079 119.070 0.044 0.000 2.770 195 H HA -0.160 4.396 4.556 -0.000 0.000 0.309 195 H C -0.215 175.139 175.328 0.044 0.000 1.206 195 H CA 0.235 56.305 56.048 0.037 0.000 1.147 195 H CB -1.851 27.929 29.762 0.030 0.000 1.422 195 H HN 0.149 nan 8.280 nan 0.000 0.420 196 I N 0.992 121.655 120.570 0.155 0.000 2.339 196 I HA 0.400 4.570 4.170 -0.000 0.000 0.290 196 I C 1.002 177.205 176.117 0.143 0.000 0.994 196 I CA -0.431 60.938 61.300 0.116 0.000 1.191 196 I CB 1.470 39.519 38.000 0.081 0.000 1.343 196 I HN 0.276 nan 8.210 nan 0.000 0.458 197 A N 7.390 130.266 122.820 0.094 0.000 2.531 197 A HA 0.231 4.551 4.320 -0.000 0.000 0.236 197 A C -0.114 177.544 177.584 0.123 0.000 1.062 197 A CA 0.490 52.562 52.037 0.059 0.000 0.760 197 A CB -0.103 18.905 19.000 0.013 0.000 0.995 197 A HN 0.906 nan 8.150 nan 0.000 0.501 198 H N 0.221 119.274 119.070 -0.029 0.000 3.112 198 H HA 0.450 5.006 4.556 0.000 0.000 0.347 198 H C -1.557 173.752 175.328 -0.032 0.000 1.188 198 H CA -0.787 55.242 56.048 -0.031 0.000 1.240 198 H CB 0.595 30.332 29.762 -0.040 0.000 1.920 198 H HN 0.643 nan 8.280 nan 0.000 0.535 199 E N 3.445 123.672 120.200 0.045 0.000 2.197 199 E HA 0.193 4.543 4.350 -0.000 0.000 0.281 199 E C -1.938 174.703 176.600 0.067 0.000 0.995 199 E CA -2.031 54.369 56.400 0.000 0.000 0.808 199 E CB 2.030 31.729 29.700 -0.000 0.000 1.093 199 E HN 0.369 nan 8.360 nan 0.000 0.394 200 P HA -0.217 nan 4.420 nan 0.000 0.217 200 P C 0.879 178.202 177.300 0.037 0.000 1.151 200 P CA 1.405 64.540 63.100 0.058 0.000 0.849 200 P CB 0.214 31.927 31.700 0.022 0.000 0.787 201 R N -0.802 119.711 120.500 0.021 0.000 2.090 201 R HA 0.019 4.359 4.340 -0.000 0.000 0.228 201 R C 2.330 178.637 176.300 0.012 0.000 1.110 201 R CA 1.253 57.359 56.100 0.011 0.000 0.973 201 R CB -0.979 29.323 30.300 0.003 0.000 0.869 201 R HN 0.147 nan 8.270 nan 0.000 0.440 202 A N 1.559 124.392 122.820 0.021 0.000 1.908 202 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 202 A C 2.155 179.742 177.584 0.006 0.000 1.181 202 A CA 1.273 53.320 52.037 0.017 0.000 0.627 202 A CB -0.595 18.425 19.000 0.032 0.000 0.818 202 A HN 0.181 nan 8.150 nan 0.000 0.445 203 L N -1.448 119.781 121.223 0.009 0.000 2.141 203 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 203 L C 2.788 179.646 176.870 -0.018 0.000 1.094 203 L CA 1.508 56.333 54.840 -0.024 0.000 0.763 203 L CB -0.516 41.516 42.059 -0.045 0.000 0.908 203 L HN 0.421 nan 8.230 nan 0.000 0.437 204 Q N 0.588 120.385 119.800 -0.004 0.000 2.083 204 Q HA -0.092 4.248 4.340 -0.000 0.000 0.198 204 Q C 2.198 178.194 176.000 -0.008 0.000 0.969 204 Q CA 1.285 57.086 55.803 -0.004 0.000 0.838 204 Q CB -0.150 28.589 28.738 0.002 0.000 0.900 204 Q HN 0.454 nan 8.270 nan 0.000 0.436 205 L N -0.217 121.001 121.223 -0.008 0.000 2.450 205 L HA -0.136 4.204 4.340 -0.000 0.000 0.224 205 L C 1.787 178.649 176.870 -0.013 0.000 1.149 205 L CA 0.572 55.406 54.840 -0.010 0.000 0.816 205 L CB -0.289 41.764 42.059 -0.011 0.000 0.932 205 L HN 0.254 nan 8.230 nan 0.000 0.449 206 L N -0.989 120.224 121.223 -0.017 0.000 2.269 206 L HA 0.088 4.428 4.340 -0.000 0.000 0.200 206 L C 2.830 179.688 176.870 -0.020 0.000 1.069 206 L CA 0.706 55.534 54.840 -0.021 0.000 0.804 206 L CB -0.476 41.563 42.059 -0.032 0.000 0.987 206 L HN 0.131 nan 8.230 nan 0.000 0.468 207 A N 0.471 123.279 122.820 -0.021 0.000 1.940 207 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 207 A C 2.288 179.866 177.584 -0.009 0.000 1.176 207 A CA 2.152 54.179 52.037 -0.016 0.000 0.631 207 A CB -0.496 18.496 19.000 -0.013 0.000 0.814 207 A HN 0.303 nan 8.150 nan 0.000 0.446 208 R N -0.004 120.491 120.500 -0.008 0.000 2.062 208 R HA -0.003 4.337 4.340 -0.000 0.000 0.231 208 R C 2.246 178.543 176.300 -0.005 0.000 1.136 208 R CA 1.968 58.065 56.100 -0.005 0.000 0.948 208 R CB -0.930 29.366 30.300 -0.005 0.000 0.845 208 R HN 0.373 nan 8.270 nan 0.000 0.430 209 A N 1.003 123.818 122.820 -0.008 0.000 1.859 209 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 209 A C 1.308 178.889 177.584 -0.005 0.000 1.209 209 A CA 1.568 53.600 52.037 -0.007 0.000 0.639 209 A CB -1.495 17.499 19.000 -0.010 0.000 0.835 209 A HN 0.563 nan 8.150 nan 0.000 0.450 210 A N 0.633 123.449 122.820 -0.007 0.000 2.515 210 A HA 0.344 4.664 4.320 -0.000 0.000 0.263 210 A C -0.085 177.498 177.584 -0.000 0.000 1.096 210 A CA -0.111 51.923 52.037 -0.004 0.000 0.769 210 A CB -0.356 18.638 19.000 -0.009 0.000 1.040 210 A HN 0.545 nan 8.150 nan 0.000 0.505 211 E N 2.061 122.263 120.200 0.004 0.000 1.932 211 E HA 0.366 4.716 4.350 -0.000 0.000 0.275 211 E C 1.286 177.892 176.600 0.010 0.000 1.159 211 E CA 0.660 57.065 56.400 0.008 0.000 0.905 211 E CB 0.184 29.890 29.700 0.011 0.000 1.059 211 E HN 1.124 nan 8.360 nan 0.000 0.400 212 G N 3.350 112.155 108.800 0.009 0.000 2.196 212 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.268 212 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.268 212 G C 0.331 175.235 174.900 0.008 0.000 0.975 212 G CA 0.803 45.909 45.100 0.011 0.000 0.648 212 G HN 0.619 nan 8.290 nan 0.000 0.538 213 S N -0.852 114.850 115.700 0.004 0.000 2.500 213 S HA 0.724 5.194 4.470 -0.000 0.000 0.301 213 S C 0.880 175.477 174.600 -0.005 0.000 1.092 213 S CA -0.246 57.955 58.200 0.001 0.000 1.030 213 S CB 2.325 65.528 63.200 0.005 0.000 1.031 213 S HN 0.550 nan 8.310 nan 0.000 0.483 214 L N 2.703 123.922 121.223 -0.007 0.000 1.994 214 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 214 L C 2.747 179.613 176.870 -0.006 0.000 1.071 214 L CA 1.626 56.459 54.840 -0.012 0.000 0.745 214 L CB -0.916 41.138 42.059 -0.008 0.000 0.892 214 L HN 0.804 nan 8.230 nan 0.000 0.431 215 R N -0.030 120.473 120.500 0.005 0.000 2.165 215 R HA -0.233 4.107 4.340 -0.000 0.000 0.254 215 R C 1.895 178.199 176.300 0.008 0.000 1.153 215 R CA 2.004 58.112 56.100 0.012 0.000 0.971 215 R CB -1.032 29.275 30.300 0.012 0.000 0.878 215 R HN 0.518 nan 8.270 nan 0.000 0.449 216 D N -0.482 119.919 120.400 0.002 0.000 2.137 216 D HA 0.001 4.641 4.640 -0.000 0.000 0.202 216 D C 1.824 178.119 176.300 -0.008 0.000 0.970 216 D CA 1.224 55.224 54.000 0.000 0.000 0.837 216 D CB -0.273 40.529 40.800 0.002 0.000 0.981 216 D HN 0.179 nan 8.370 nan 0.000 0.475 217 A N 1.296 124.106 122.820 -0.017 0.000 1.892 217 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 217 A C 2.409 179.970 177.584 -0.039 0.000 1.188 217 A CA 1.201 53.219 52.037 -0.031 0.000 0.631 217 A CB -0.955 18.020 19.000 -0.042 0.000 0.822 217 A HN 0.218 nan 8.150 nan 0.000 0.447 218 L N 0.319 121.519 121.223 -0.038 0.000 2.012 218 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 218 L C 2.979 179.841 176.870 -0.013 0.000 1.073 218 L CA 1.829 56.646 54.840 -0.038 0.000 0.748 218 L CB -0.717 41.333 42.059 -0.014 0.000 0.891 218 L HN 0.587 nan 8.230 nan 0.000 0.431 219 S N -0.285 115.415 115.700 0.000 0.000 2.402 219 S HA -0.101 4.369 4.470 -0.000 0.000 0.229 219 S C 1.950 176.551 174.600 0.001 0.000 1.021 219 S CA 0.749 58.953 58.200 0.008 0.000 0.974 219 S CB -0.537 62.670 63.200 0.012 0.000 0.800 219 S HN 0.312 nan 8.310 nan 0.000 0.484 220 L N 1.352 122.570 121.223 -0.007 0.000 2.093 220 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 220 L C 2.751 179.612 176.870 -0.014 0.000 1.085 220 L CA 1.460 56.294 54.840 -0.010 0.000 0.755 220 L CB -0.910 41.141 42.059 -0.013 0.000 0.904 220 L HN 0.366 nan 8.230 nan 0.000 0.435 221 T N -1.631 112.908 114.554 -0.025 0.000 2.904 221 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 221 T C 1.448 176.139 174.700 -0.015 0.000 1.059 221 T CA 1.013 63.094 62.100 -0.032 0.000 1.137 221 T CB -0.183 68.647 68.868 -0.063 0.000 0.879 221 T HN 0.289 nan 8.240 nan 0.000 0.467 222 D N 1.334 121.731 120.400 -0.005 0.000 2.144 222 D HA -0.073 4.567 4.640 -0.000 0.000 0.199 222 D C 2.324 178.632 176.300 0.013 0.000 0.984 222 D CA 1.023 55.030 54.000 0.012 0.000 0.834 222 D CB -0.023 40.791 40.800 0.023 0.000 0.955 222 D HN 0.507 nan 8.370 nan 0.000 0.465 223 Q N 0.260 120.064 119.800 0.007 0.000 2.083 223 Q HA -0.008 4.332 4.340 -0.000 0.000 0.198 223 Q C 2.281 178.284 176.000 0.006 0.000 0.969 223 Q CA 0.980 56.788 55.803 0.008 0.000 0.838 223 Q CB -0.034 28.707 28.738 0.005 0.000 0.900 223 Q HN 0.153 nan 8.270 nan 0.000 0.436 224 A N 1.206 124.027 122.820 0.001 0.000 1.908 224 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 224 A C 2.050 179.638 177.584 0.006 0.000 1.181 224 A CA 1.223 53.260 52.037 0.001 0.000 0.627 224 A CB -0.689 18.308 19.000 -0.005 0.000 0.818 224 A HN 0.288 nan 8.150 nan 0.000 0.445 225 I N -0.321 120.253 120.570 0.008 0.000 2.113 225 I HA -0.304 3.866 4.170 -0.000 0.000 0.238 225 I C 2.977 179.104 176.117 0.016 0.000 1.070 225 I CA 1.224 62.533 61.300 0.015 0.000 1.332 225 I CB -0.393 37.619 38.000 0.020 0.000 1.044 225 I HN 0.353 nan 8.210 nan 0.000 0.402 226 A N 0.395 123.225 122.820 0.016 0.000 2.032 226 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 226 A C 2.384 179.975 177.584 0.012 0.000 1.165 226 A CA 2.360 54.407 52.037 0.016 0.000 0.645 226 A CB -0.690 18.320 19.000 0.017 0.000 0.807 226 A HN 0.586 nan 8.150 nan 0.000 0.453 227 S N -1.897 113.809 115.700 0.010 0.000 2.470 227 S HA 0.229 4.699 4.470 -0.000 0.000 0.222 227 S C 1.665 176.269 174.600 0.007 0.000 1.024 227 S CA 0.721 58.925 58.200 0.007 0.000 0.931 227 S CB -0.296 62.907 63.200 0.005 0.000 0.791 227 S HN 0.608 nan 8.310 nan 0.000 0.513 228 G N 0.814 109.619 108.800 0.009 0.000 3.141 228 G HA2 0.164 4.124 3.960 -0.000 0.000 0.218 228 G HA3 0.164 4.124 3.960 -0.000 0.000 0.218 228 G C -0.041 174.866 174.900 0.011 0.000 1.170 228 G CA 0.021 45.127 45.100 0.009 0.000 0.769 228 G HN 0.414 nan 8.290 nan 0.000 0.546 229 D N -0.261 120.146 120.400 0.012 0.000 3.003 229 D HA -0.109 4.531 4.640 -0.000 0.000 0.223 229 D C 1.509 177.819 176.300 0.016 0.000 1.204 229 D CA 1.693 55.700 54.000 0.013 0.000 0.828 229 D CB -1.195 39.611 40.800 0.010 0.000 0.918 229 D HN 0.853 nan 8.370 nan 0.000 0.401 230 G N 1.637 110.449 108.800 0.020 0.000 2.475 230 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.209 230 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.209 230 G C 0.307 175.225 174.900 0.030 0.000 1.127 230 G CA 0.377 45.492 45.100 0.025 0.000 0.681 230 G HN 0.611 nan 8.290 nan 0.000 0.517 231 Q N -0.218 119.597 119.800 0.025 0.000 2.193 231 Q HA 0.680 5.020 4.340 -0.000 0.000 0.246 231 Q C -0.527 175.491 176.000 0.029 0.000 0.959 231 Q CA -0.647 55.174 55.803 0.029 0.000 0.904 231 Q CB 2.739 31.489 28.738 0.020 0.000 1.238 231 Q HN 0.252 nan 8.270 nan 0.000 0.469 232 V N 1.871 121.811 119.914 0.043 0.000 2.276 232 V HA 0.247 4.367 4.120 -0.000 0.000 0.268 232 V C -0.542 175.577 176.094 0.043 0.000 1.032 232 V CA -0.468 61.855 62.300 0.039 0.000 0.810 232 V CB 0.570 32.419 31.823 0.044 0.000 1.060 232 V HN 0.794 nan 8.190 nan 0.000 0.446 233 S N 1.898 117.611 115.700 0.023 0.000 2.593 233 S HA 0.346 4.816 4.470 -0.000 0.000 0.297 233 S C 1.121 175.726 174.600 0.008 0.000 1.112 233 S CA -0.149 58.059 58.200 0.014 0.000 1.043 233 S CB 1.790 64.994 63.200 0.006 0.000 1.054 233 S HN 0.483 nan 8.310 nan 0.000 0.516 234 T N 2.515 117.072 114.554 0.005 0.000 2.803 234 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 234 T C 1.749 176.446 174.700 -0.005 0.000 1.052 234 T CA 2.003 64.103 62.100 -0.000 0.000 1.136 234 T CB -0.388 68.478 68.868 -0.003 0.000 0.864 234 T HN 0.752 nan 8.240 nan 0.000 0.467 235 Q N 0.807 120.604 119.800 -0.005 0.000 2.046 235 Q HA 0.074 4.414 4.340 -0.000 0.000 0.200 235 Q C 2.790 178.787 176.000 -0.006 0.000 0.975 235 Q CA 1.370 57.169 55.803 -0.007 0.000 0.836 235 Q CB -0.330 28.405 28.738 -0.005 0.000 0.896 235 Q HN 0.551 nan 8.270 nan 0.000 0.428 236 A N 0.504 123.323 122.820 -0.002 0.000 1.969 236 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 236 A C 2.290 179.872 177.584 -0.003 0.000 1.169 236 A CA 1.114 53.150 52.037 -0.001 0.000 0.635 236 A CB -0.458 18.543 19.000 0.003 0.000 0.810 236 A HN 0.208 nan 8.150 nan 0.000 0.445 237 V N 0.728 120.639 119.914 -0.004 0.000 2.719 237 V HA -0.130 3.990 4.120 -0.000 0.000 0.252 237 V C 2.558 178.645 176.094 -0.011 0.000 1.065 237 V CA 1.969 64.266 62.300 -0.006 0.000 1.086 237 V CB -0.391 31.429 31.823 -0.005 0.000 0.700 237 V HN 0.765 nan 8.190 nan 0.000 0.467 238 S N 0.175 115.867 115.700 -0.013 0.000 2.593 238 S HA 0.234 4.704 4.470 -0.000 0.000 0.217 238 S C 1.738 176.325 174.600 -0.021 0.000 0.966 238 S CA 0.587 58.775 58.200 -0.020 0.000 0.914 238 S CB 0.251 63.438 63.200 -0.023 0.000 0.776 238 S HN 0.463 nan 8.310 nan 0.000 0.523 239 A N 2.144 124.955 122.820 -0.015 0.000 2.021 239 A HA 0.272 4.592 4.320 -0.000 0.000 0.216 239 A C 2.127 179.703 177.584 -0.013 0.000 1.163 239 A CA 1.093 53.122 52.037 -0.013 0.000 0.676 239 A CB -0.463 18.532 19.000 -0.007 0.000 0.818 239 A HN 0.726 nan 8.150 nan 0.000 0.453 240 M N -1.818 117.775 119.600 -0.012 0.000 2.838 240 M HA 0.391 4.871 4.480 -0.000 0.000 0.251 240 M C -0.163 176.128 176.300 -0.015 0.000 1.393 240 M CA 0.318 55.612 55.300 -0.011 0.000 1.196 240 M CB -0.105 32.490 32.600 -0.007 0.000 1.276 240 M HN -0.023 nan 8.290 nan 0.000 0.541 241 L N 2.670 123.883 121.223 -0.016 0.000 2.257 241 L HA 0.566 4.906 4.340 -0.000 0.000 0.290 241 L C 0.464 177.319 176.870 -0.025 0.000 1.044 241 L CA -0.804 54.025 54.840 -0.018 0.000 0.810 241 L CB 0.822 42.872 42.059 -0.015 0.000 1.193 241 L HN 0.247 nan 8.230 nan 0.000 0.425 242 G N 2.413 111.195 108.800 -0.030 0.000 2.305 242 G HA2 0.256 4.216 3.960 -0.000 0.000 0.243 242 G HA3 0.256 4.216 3.960 -0.000 0.000 0.243 242 G C 0.034 174.911 174.900 -0.038 0.000 1.288 242 G CA -0.118 44.957 45.100 -0.041 0.000 0.901 242 G HN 0.531 nan 8.290 nan 0.000 0.516 243 T N 2.416 116.943 114.554 -0.044 0.000 2.943 243 T HA 0.364 4.714 4.350 -0.000 0.000 0.284 243 T C 1.454 176.131 174.700 -0.038 0.000 1.015 243 T CA -0.595 61.483 62.100 -0.037 0.000 1.042 243 T CB 1.767 70.614 68.868 -0.034 0.000 1.055 243 T HN 0.292 nan 8.240 nan 0.000 0.500 244 L N 0.428 121.635 121.223 -0.027 0.000 2.515 244 L HA 0.131 4.471 4.340 -0.000 0.000 0.223 244 L C 1.617 178.474 176.870 -0.021 0.000 1.079 244 L CA 0.283 55.109 54.840 -0.024 0.000 0.857 244 L CB -0.009 42.041 42.059 -0.016 0.000 1.050 244 L HN 0.556 nan 8.230 nan 0.000 0.476 245 D N 0.698 121.087 120.400 -0.018 0.000 2.117 245 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 245 D C 1.345 177.636 176.300 -0.016 0.000 0.982 245 D CA 1.203 55.195 54.000 -0.014 0.000 0.828 245 D CB -0.059 40.734 40.800 -0.011 0.000 0.967 245 D HN 0.230 nan 8.370 nan 0.000 0.464 246 D N 1.085 121.471 120.400 -0.024 0.000 2.351 246 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 246 D C -0.142 176.138 176.300 -0.032 0.000 0.968 246 D CA 0.654 54.637 54.000 -0.028 0.000 0.899 246 D CB -0.241 40.536 40.800 -0.038 0.000 0.907 246 D HN 0.195 nan 8.370 nan 0.000 0.514 247 D N 1.463 121.844 120.400 -0.032 0.000 2.352 247 D HA 0.045 4.685 4.640 -0.000 0.000 0.245 247 D C 1.240 177.533 176.300 -0.012 0.000 1.224 247 D CA -0.050 53.932 54.000 -0.031 0.000 0.879 247 D CB 0.929 41.709 40.800 -0.034 0.000 1.057 247 D HN -0.038 nan 8.370 nan 0.000 0.491 248 Q N 1.521 121.319 119.800 -0.004 0.000 2.466 248 Q HA 0.030 4.370 4.340 -0.000 0.000 0.210 248 Q C 1.675 177.684 176.000 0.015 0.000 0.961 248 Q CA -0.066 55.743 55.803 0.010 0.000 0.953 248 Q CB 0.040 28.791 28.738 0.023 0.000 1.011 248 Q HN 0.539 nan 8.270 nan 0.000 0.516 249 A N 0.735 123.562 122.820 0.011 0.000 2.067 249 A HA -0.216 4.104 4.320 -0.000 0.000 0.224 249 A C 1.928 179.525 177.584 0.021 0.000 1.172 249 A CA 1.677 53.725 52.037 0.019 0.000 0.662 249 A CB -0.244 18.764 19.000 0.013 0.000 0.814 249 A HN 0.381 nan 8.150 nan 0.000 0.468 250 L N -1.271 119.961 121.223 0.015 0.000 2.577 250 L HA 0.135 4.475 4.340 -0.000 0.000 0.225 250 L C 2.257 179.132 176.870 0.008 0.000 1.053 250 L CA 1.594 56.443 54.840 0.014 0.000 0.866 250 L CB 0.067 42.134 42.059 0.012 0.000 1.132 250 L HN 0.292 nan 8.230 nan 0.000 0.486 251 S N -1.005 114.700 115.700 0.009 0.000 2.561 251 S HA -0.019 4.451 4.470 -0.000 0.000 0.225 251 S C 1.746 176.351 174.600 0.009 0.000 0.977 251 S CA 0.639 58.844 58.200 0.007 0.000 0.926 251 S CB -0.334 62.871 63.200 0.008 0.000 0.769 251 S HN 0.427 nan 8.310 nan 0.000 0.533 252 L N 0.855 122.086 121.223 0.014 0.000 2.168 252 L HA 0.107 4.447 4.340 -0.000 0.000 0.203 252 L C 2.211 179.082 176.870 0.001 0.000 1.078 252 L CA 0.572 55.424 54.840 0.020 0.000 0.780 252 L CB -0.083 41.999 42.059 0.039 0.000 0.939 252 L HN 0.185 nan 8.230 nan 0.000 0.451 253 V N -0.095 119.815 119.914 -0.008 0.000 2.358 253 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 253 V C 2.292 178.347 176.094 -0.064 0.000 1.047 253 V CA 1.653 63.927 62.300 -0.042 0.000 1.035 253 V CB -0.438 31.373 31.823 -0.021 0.000 0.658 253 V HN 0.441 nan 8.190 nan 0.000 0.452 254 E N 0.595 120.777 120.200 -0.030 0.000 2.023 254 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 254 E C 2.376 178.963 176.600 -0.022 0.000 1.003 254 E CA 1.461 57.846 56.400 -0.024 0.000 0.809 254 E CB -0.393 29.303 29.700 -0.007 0.000 0.755 254 E HN 0.563 nan 8.360 nan 0.000 0.449 255 A N 1.606 124.420 122.820 -0.010 0.000 1.986 255 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 255 A C 2.107 179.693 177.584 0.002 0.000 1.171 255 A CA 1.691 53.729 52.037 0.001 0.000 0.640 255 A CB -0.575 18.430 19.000 0.009 0.000 0.811 255 A HN 0.292 nan 8.150 nan 0.000 0.451 256 M N -0.101 119.484 119.600 -0.026 0.000 2.062 256 M HA -0.118 4.362 4.480 -0.000 0.000 0.259 256 M C 1.852 178.131 176.300 -0.035 0.000 1.076 256 M CA 2.395 57.667 55.300 -0.046 0.000 1.122 256 M CB -0.355 32.168 32.600 -0.129 0.000 1.312 256 M HN 0.198 nan 8.290 nan 0.000 0.412 257 V N 0.976 120.775 119.914 -0.193 0.000 2.867 257 V HA -0.206 3.914 4.120 -0.000 0.000 0.260 257 V C 1.716 177.911 176.094 0.168 0.000 1.099 257 V CA 1.721 63.927 62.300 -0.157 0.000 1.122 257 V CB -1.170 30.479 31.823 -0.289 0.000 0.708 257 V HN 0.548 nan 8.190 nan 0.000 0.490 258 E N 0.103 120.350 120.200 0.077 0.000 2.442 258 E HA 0.307 4.657 4.350 -0.000 0.000 0.195 258 E C 1.571 178.168 176.600 -0.005 0.000 1.030 258 E CA 0.591 57.015 56.400 0.040 0.000 0.869 258 E CB 0.033 29.741 29.700 0.013 0.000 0.857 258 E HN 0.516 nan 8.360 nan 0.000 0.505 259 A N 1.530 124.360 122.820 0.017 0.000 3.172 259 A HA -0.178 4.142 4.320 -0.000 0.000 0.263 259 A C 0.019 177.577 177.584 -0.044 0.000 1.215 259 A CA 0.678 52.666 52.037 -0.081 0.000 1.065 259 A CB -2.036 16.763 19.000 -0.334 0.000 1.148 259 A HN 0.281 nan 8.150 nan 0.000 0.904 260 N N 0.636 119.327 118.700 -0.016 0.000 3.229 260 N HA 0.362 5.102 4.740 -0.000 0.000 0.275 260 N C 1.447 176.958 175.510 0.002 0.000 1.225 260 N CA 0.707 53.751 53.050 -0.011 0.000 1.119 260 N CB 0.382 38.864 38.487 -0.008 0.000 1.392 260 N HN 0.612 nan 8.380 nan 0.000 0.520 261 G N 1.408 110.210 108.800 0.003 0.000 2.550 261 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.222 261 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.222 261 G C 1.424 176.330 174.900 0.011 0.000 1.113 261 G CA 1.235 46.342 45.100 0.012 0.000 0.748 261 G HN 0.494 nan 8.290 nan 0.000 0.585 262 E N 0.723 120.926 120.200 0.005 0.000 2.048 262 E HA -0.231 4.119 4.350 -0.000 0.000 0.202 262 E C 2.411 179.018 176.600 0.011 0.000 1.021 262 E CA 1.895 58.299 56.400 0.006 0.000 0.825 262 E CB -0.500 29.201 29.700 0.002 0.000 0.756 262 E HN 0.499 nan 8.360 nan 0.000 0.454 263 R N -0.329 120.178 120.500 0.011 0.000 2.066 263 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 263 R C 2.387 178.701 176.300 0.022 0.000 1.131 263 R CA 1.497 57.605 56.100 0.014 0.000 0.955 263 R CB -0.319 29.988 30.300 0.011 0.000 0.851 263 R HN 0.214 nan 8.270 nan 0.000 0.432 264 V N 1.159 121.087 119.914 0.023 0.000 2.380 264 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 264 V C 2.395 178.514 176.094 0.041 0.000 1.063 264 V CA 1.675 63.994 62.300 0.032 0.000 1.055 264 V CB -0.385 31.457 31.823 0.032 0.000 0.657 264 V HN 0.375 nan 8.190 nan 0.000 0.455 265 M N -0.400 119.220 119.600 0.033 0.000 2.248 265 M HA 0.082 4.562 4.480 -0.000 0.000 0.265 265 M C 2.455 178.782 176.300 0.045 0.000 1.079 265 M CA 1.812 57.134 55.300 0.036 0.000 1.150 265 M CB -1.579 31.034 32.600 0.022 0.000 1.366 265 M HN 0.368 nan 8.290 nan 0.000 0.433 266 A N 0.937 123.779 122.820 0.036 0.000 1.940 266 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 266 A C 2.325 179.936 177.584 0.046 0.000 1.176 266 A CA 1.411 53.469 52.037 0.035 0.000 0.631 266 A CB -0.976 18.039 19.000 0.024 0.000 0.814 266 A HN 0.471 nan 8.150 nan 0.000 0.446 267 L N -0.687 120.566 121.223 0.049 0.000 1.994 267 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 267 L C 2.523 179.446 176.870 0.089 0.000 1.071 267 L CA 1.440 56.313 54.840 0.055 0.000 0.745 267 L CB -0.672 41.417 42.059 0.050 0.000 0.892 267 L HN 0.348 nan 8.230 nan 0.000 0.431 268 I N 0.322 120.965 120.570 0.123 0.000 2.264 268 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 268 I C 2.440 178.705 176.117 0.245 0.000 1.111 268 I CA 1.303 62.737 61.300 0.224 0.000 1.382 268 I CB -0.451 37.660 38.000 0.185 0.000 1.060 268 I HN 0.415 nan 8.210 nan 0.000 0.418 269 N N 1.126 119.912 118.700 0.144 0.000 2.171 269 N HA -0.221 4.519 4.740 -0.000 0.000 0.184 269 N C 1.744 177.317 175.510 0.105 0.000 1.021 269 N CA 1.481 54.607 53.050 0.126 0.000 0.854 269 N CB -0.065 38.467 38.487 0.075 0.000 0.994 269 N HN 0.353 nan 8.380 nan 0.000 0.426 270 E N -0.134 120.111 120.200 0.075 0.000 2.038 270 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 270 E C 1.797 178.413 176.600 0.026 0.000 1.000 270 E CA 1.333 57.758 56.400 0.042 0.000 0.803 270 E CB -0.227 29.491 29.700 0.030 0.000 0.750 270 E HN 0.428 nan 8.360 nan 0.000 0.448 271 A N 1.129 123.967 122.820 0.029 0.000 1.908 271 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 271 A C 2.395 179.915 177.584 -0.108 0.000 1.181 271 A CA 2.054 54.056 52.037 -0.058 0.000 0.627 271 A CB -0.897 18.061 19.000 -0.069 0.000 0.818 271 A HN 0.430 nan 8.150 nan 0.000 0.445 272 A N -0.129 122.727 122.820 0.061 0.000 1.908 272 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 272 A C 2.476 180.095 177.584 0.059 0.000 1.181 272 A CA 2.150 54.281 52.037 0.156 0.000 0.627 272 A CB -1.062 18.172 19.000 0.389 0.000 0.818 272 A HN 1.201 nan 8.150 nan 0.000 0.445 273 A N -0.567 122.281 122.820 0.047 0.000 2.076 273 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 273 A C 2.086 179.665 177.584 -0.008 0.000 1.160 273 A CA 1.600 53.652 52.037 0.025 0.000 0.653 273 A CB -0.355 18.659 19.000 0.023 0.000 0.801 273 A HN 0.549 nan 8.150 nan 0.000 0.455 274 R N -1.481 118.994 120.500 -0.042 0.000 2.317 274 R HA 0.283 4.623 4.340 -0.000 0.000 0.208 274 R C 1.013 177.257 176.300 -0.094 0.000 0.914 274 R CA 0.564 56.626 56.100 -0.065 0.000 1.060 274 R CB 0.094 30.349 30.300 -0.075 0.000 1.015 274 R HN 0.608 nan 8.270 nan 0.000 0.498 275 G N 1.834 110.568 108.800 -0.111 0.000 2.289 275 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.280 275 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.280 275 G C 0.093 174.856 174.900 -0.229 0.000 1.089 275 G CA -0.269 44.755 45.100 -0.128 0.000 0.939 275 G HN 0.202 nan 8.290 nan 0.000 0.499 276 I N -0.463 119.851 120.570 -0.427 0.000 2.938 276 I HA 0.141 4.311 4.170 -0.000 0.000 0.285 276 I C 0.930 176.718 176.117 -0.549 0.000 1.182 276 I CA 0.136 61.115 61.300 -0.535 0.000 1.388 276 I CB 0.557 38.084 38.000 -0.789 0.000 1.390 276 I HN 0.214 nan 8.210 nan 0.000 0.600 277 E N 3.801 123.797 120.200 -0.341 0.000 1.998 277 E HA 0.044 4.394 4.350 -0.000 0.000 0.257 277 E C -0.011 176.515 176.600 -0.122 0.000 1.038 277 E CA -0.161 56.133 56.400 -0.175 0.000 0.869 277 E CB 0.357 30.008 29.700 -0.082 0.000 1.135 277 E HN 0.521 nan 8.360 nan 0.000 0.430 278 W N 1.815 123.111 121.300 -0.006 0.000 2.255 278 W HA -0.320 4.340 4.660 -0.000 0.000 0.318 278 W C 2.155 178.669 176.519 -0.008 0.000 1.277 278 W CA 1.510 58.852 57.345 -0.006 0.000 1.286 278 W CB -0.067 29.389 29.460 -0.006 0.000 1.132 278 W HN 0.567 nan 8.180 nan 0.000 0.504 279 E N 0.050 120.364 120.200 0.191 0.000 2.152 279 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 279 E C 2.259 178.897 176.600 0.064 0.000 0.983 279 E CA 1.125 57.589 56.400 0.107 0.000 0.818 279 E CB -0.261 29.477 29.700 0.063 0.000 0.758 279 E HN 0.191 nan 8.360 nan 0.000 0.467 280 A N 1.088 123.929 122.820 0.035 0.000 1.902 280 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 280 A C 2.125 179.719 177.584 0.017 0.000 1.181 280 A CA 1.243 53.286 52.037 0.010 0.000 0.623 280 A CB -0.666 18.322 19.000 -0.020 0.000 0.818 280 A HN 0.402 nan 8.150 nan 0.000 0.443 281 L N -0.390 120.845 121.223 0.020 0.000 2.079 281 L HA -0.085 4.255 4.340 -0.000 0.000 0.210 281 L C 2.105 179.015 176.870 0.065 0.000 1.081 281 L CA 1.641 56.502 54.840 0.035 0.000 0.752 281 L CB -0.482 41.606 42.059 0.050 0.000 0.896 281 L HN 0.392 nan 8.230 nan 0.000 0.433 282 L N -1.922 119.350 121.223 0.082 0.000 2.291 282 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 282 L C 2.194 179.087 176.870 0.038 0.000 1.120 282 L CA 0.244 55.122 54.840 0.062 0.000 0.799 282 L CB -0.129 41.966 42.059 0.060 0.000 0.925 282 L HN 0.130 nan 8.230 nan 0.000 0.446 283 V N -0.612 119.324 119.914 0.037 0.000 2.407 283 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 283 V C 2.243 178.364 176.094 0.046 0.000 1.041 283 V CA 1.382 63.702 62.300 0.033 0.000 1.040 283 V CB -0.232 31.607 31.823 0.026 0.000 0.671 283 V HN 0.406 nan 8.190 nan 0.000 0.455 284 E N -0.224 120.000 120.200 0.040 0.000 2.118 284 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 284 E C 2.228 178.863 176.600 0.058 0.000 0.992 284 E CA 1.480 57.906 56.400 0.043 0.000 0.804 284 E CB -0.163 29.553 29.700 0.027 0.000 0.741 284 E HN 0.539 nan 8.360 nan 0.000 0.458 285 M N 0.144 119.779 119.600 0.059 0.000 2.156 285 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 285 M C 2.297 178.660 176.300 0.104 0.000 1.067 285 M CA 1.086 56.428 55.300 0.070 0.000 1.131 285 M CB -0.122 32.513 32.600 0.059 0.000 1.368 285 M HN 0.127 nan 8.290 nan 0.000 0.416 286 L N -0.543 120.737 121.223 0.095 0.000 2.217 286 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 286 L C 2.436 179.464 176.870 0.263 0.000 1.107 286 L CA 0.869 55.798 54.840 0.149 0.000 0.783 286 L CB -0.732 41.338 42.059 0.018 0.000 0.919 286 L HN 0.384 nan 8.230 nan 0.000 0.442 287 G N -0.848 108.054 108.800 0.170 0.000 2.683 287 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.213 287 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.213 287 G C 1.540 176.538 174.900 0.162 0.000 1.142 287 G CA -0.028 45.173 45.100 0.169 0.000 0.793 287 G HN 0.167 nan 8.290 nan 0.000 0.534 288 L N -0.436 120.870 121.223 0.138 0.000 2.130 288 L HA 0.240 4.580 4.340 -0.000 0.000 0.200 288 L C 2.685 179.624 176.870 0.116 0.000 1.075 288 L CA 0.227 55.127 54.840 0.101 0.000 0.768 288 L CB -0.384 41.719 42.059 0.073 0.000 0.933 288 L HN 0.094 nan 8.230 nan 0.000 0.451 289 L N -0.315 121.007 121.223 0.165 0.000 2.129 289 L HA -0.297 4.043 4.340 -0.000 0.000 0.212 289 L C 2.659 179.614 176.870 0.142 0.000 1.087 289 L CA 1.221 56.171 54.840 0.183 0.000 0.757 289 L CB -0.422 41.812 42.059 0.292 0.000 0.896 289 L HN 0.377 nan 8.230 nan 0.000 0.434 290 H N -0.294 118.811 119.070 0.060 0.000 2.389 290 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 290 H C 2.364 177.660 175.328 -0.053 0.000 1.081 290 H CA 1.682 57.676 56.048 -0.089 0.000 1.345 290 H CB 0.120 29.847 29.762 -0.058 0.000 1.393 290 H HN 0.075 nan 8.280 nan 0.000 0.520 291 R N -0.264 120.187 120.500 -0.081 0.000 2.115 291 R HA 0.013 4.353 4.340 -0.000 0.000 0.226 291 R C 2.075 178.313 176.300 -0.103 0.000 1.100 291 R CA 1.277 57.304 56.100 -0.122 0.000 0.980 291 R CB -0.089 30.198 30.300 -0.020 0.000 0.875 291 R HN 0.386 nan 8.270 nan 0.000 0.445 292 I N 0.300 120.840 120.570 -0.050 0.000 2.546 292 I HA -0.147 4.023 4.170 -0.000 0.000 0.255 292 I C 2.263 178.346 176.117 -0.056 0.000 1.163 292 I CA 0.889 62.171 61.300 -0.030 0.000 1.457 292 I CB -0.159 37.847 38.000 0.011 0.000 1.092 292 I HN 0.224 nan 8.210 nan 0.000 0.434 293 A N 0.576 123.334 122.820 -0.103 0.000 1.968 293 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 293 A C 2.336 179.830 177.584 -0.151 0.000 1.169 293 A CA 1.204 53.166 52.037 -0.126 0.000 0.638 293 A CB -0.370 18.521 19.000 -0.181 0.000 0.812 293 A HN 0.330 nan 8.150 nan 0.000 0.446 294 M N -0.758 118.721 119.600 -0.202 0.000 2.288 294 M HA -0.041 4.439 4.480 -0.000 0.000 0.266 294 M C 1.710 177.952 176.300 -0.096 0.000 1.072 294 M CA 0.861 56.059 55.300 -0.170 0.000 1.132 294 M CB -0.120 32.352 32.600 -0.214 0.000 1.386 294 M HN 0.191 nan 8.290 nan 0.000 0.432 295 V N 0.507 120.376 119.914 -0.075 0.000 3.141 295 V HA -0.184 3.936 4.120 -0.000 0.000 0.265 295 V C 1.858 177.931 176.094 -0.035 0.000 1.126 295 V CA 1.306 63.579 62.300 -0.045 0.000 1.141 295 V CB -0.880 30.924 31.823 -0.032 0.000 0.743 295 V HN 0.542 nan 8.190 nan 0.000 0.492 296 Q N -0.898 118.878 119.800 -0.041 0.000 2.424 296 Q HA 0.070 4.410 4.340 -0.000 0.000 0.204 296 Q C 1.835 177.818 176.000 -0.029 0.000 0.933 296 Q CA 0.542 56.328 55.803 -0.029 0.000 0.929 296 Q CB 0.242 28.964 28.738 -0.025 0.000 1.037 296 Q HN 0.511 nan 8.270 nan 0.000 0.511 297 L N -0.541 120.659 121.223 -0.038 0.000 2.575 297 L HA 0.192 4.532 4.340 -0.000 0.000 0.228 297 L C -0.143 176.710 176.870 -0.029 0.000 1.075 297 L CA 0.584 55.404 54.840 -0.033 0.000 0.867 297 L CB 1.100 43.135 42.059 -0.041 0.000 1.097 297 L HN -0.009 nan 8.230 nan 0.000 0.485 298 S N -1.469 114.212 115.700 -0.032 0.000 2.652 298 S HA 0.455 4.925 4.470 -0.000 0.000 0.273 298 S C -2.374 172.210 174.600 -0.025 0.000 1.172 298 S CA -0.691 57.494 58.200 -0.026 0.000 1.009 298 S CB 1.308 64.493 63.200 -0.026 0.000 1.094 298 S HN 0.020 nan 8.310 nan 0.000 0.471 299 P HA 0.079 nan 4.420 nan 0.000 0.234 299 P C 1.022 178.313 177.300 -0.015 0.000 1.167 299 P CA 0.647 63.738 63.100 -0.016 0.000 0.763 299 P CB -0.132 31.561 31.700 -0.011 0.000 0.835 300 A N 0.121 122.931 122.820 -0.016 0.000 2.265 300 A HA 0.352 4.672 4.320 -0.000 0.000 0.213 300 A C 1.892 179.466 177.584 -0.016 0.000 1.255 300 A CA 0.533 52.561 52.037 -0.014 0.000 0.862 300 A CB -0.904 18.089 19.000 -0.012 0.000 0.852 300 A HN 0.205 nan 8.150 nan 0.000 0.484 301 A N -0.463 122.344 122.820 -0.021 0.000 2.302 301 A HA 0.459 4.779 4.320 -0.000 0.000 0.219 301 A C 0.485 178.058 177.584 -0.018 0.000 1.243 301 A CA 0.011 52.032 52.037 -0.026 0.000 0.856 301 A CB -0.253 18.721 19.000 -0.043 0.000 0.893 301 A HN 0.408 nan 8.150 nan 0.000 0.491 302 L N 1.099 122.315 121.223 -0.012 0.000 2.277 302 L HA 0.383 4.723 4.340 -0.000 0.000 0.284 302 L C 1.173 178.041 176.870 -0.003 0.000 1.028 302 L CA -0.790 54.046 54.840 -0.007 0.000 0.835 302 L CB 0.968 43.024 42.059 -0.005 0.000 1.215 302 L HN 0.395 nan 8.230 nan 0.000 0.425 303 G N 2.200 110.999 108.800 -0.001 0.000 2.846 303 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.257 303 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.257 303 G C 1.003 175.905 174.900 0.003 0.000 1.253 303 G CA 0.080 45.181 45.100 0.002 0.000 0.918 303 G HN 0.878 nan 8.290 nan 0.000 0.597 304 N N -1.211 117.491 118.700 0.004 0.000 2.459 304 N HA -0.060 4.680 4.740 -0.000 0.000 0.181 304 N C 0.740 176.253 175.510 0.005 0.000 1.046 304 N CA 1.546 54.599 53.050 0.004 0.000 0.904 304 N CB 0.404 38.895 38.487 0.005 0.000 0.964 304 N HN 0.452 nan 8.380 nan 0.000 0.444 305 D N -1.092 119.312 120.400 0.006 0.000 2.712 305 D HA 0.135 4.775 4.640 -0.000 0.000 0.300 305 D C 0.530 176.834 176.300 0.006 0.000 1.521 305 D CA -0.112 53.891 54.000 0.006 0.000 0.790 305 D CB 0.334 41.138 40.800 0.007 0.000 1.155 305 D HN 0.009 nan 8.370 nan 0.000 0.456 306 M N 0.163 119.767 119.600 0.006 0.000 2.595 306 M HA 0.135 4.615 4.480 -0.000 0.000 0.248 306 M C 2.127 178.430 176.300 0.005 0.000 1.119 306 M CA 0.212 55.515 55.300 0.006 0.000 1.079 306 M CB -0.816 31.786 32.600 0.004 0.000 1.472 306 M HN 0.068 nan 8.290 nan 0.000 0.501 307 A N 1.135 123.958 122.820 0.004 0.000 1.896 307 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 307 A C 2.471 180.058 177.584 0.004 0.000 1.206 307 A CA 2.723 54.763 52.037 0.004 0.000 0.647 307 A CB -1.047 17.955 19.000 0.004 0.000 0.828 307 A HN 0.468 nan 8.150 nan 0.000 0.455 308 A N -0.215 122.608 122.820 0.005 0.000 1.883 308 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 308 A C 2.162 179.748 177.584 0.004 0.000 1.186 308 A CA 1.698 53.738 52.037 0.004 0.000 0.624 308 A CB -0.727 18.276 19.000 0.004 0.000 0.822 308 A HN 0.575 nan 8.150 nan 0.000 0.444 309 I N -1.032 119.541 120.570 0.005 0.000 2.142 309 I HA -0.282 3.888 4.170 -0.000 0.000 0.240 309 I C 2.118 178.238 176.117 0.005 0.000 1.078 309 I CA 1.574 62.877 61.300 0.006 0.000 1.343 309 I CB -0.957 37.047 38.000 0.007 0.000 1.046 309 I HN 0.439 nan 8.210 nan 0.000 0.405 310 E N 0.507 120.709 120.200 0.004 0.000 2.755 310 E HA -0.392 3.958 4.350 -0.000 0.000 0.241 310 E C 1.973 178.574 176.600 0.003 0.000 0.977 310 E CA 2.659 59.061 56.400 0.003 0.000 1.398 310 E CB -0.784 28.917 29.700 0.002 0.000 1.343 310 E HN 0.386 nan 8.360 nan 0.000 0.482 311 L N 0.950 122.175 121.223 0.004 0.000 2.042 311 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 311 L C 2.331 179.204 176.870 0.005 0.000 1.076 311 L CA 1.916 56.759 54.840 0.004 0.000 0.749 311 L CB -0.187 41.874 42.059 0.004 0.000 0.893 311 L HN 0.066 nan 8.230 nan 0.000 0.432 312 R N -1.513 118.990 120.500 0.005 0.000 2.081 312 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 312 R C 2.179 178.483 176.300 0.007 0.000 1.131 312 R CA 1.684 57.788 56.100 0.006 0.000 0.960 312 R CB -0.383 29.921 30.300 0.006 0.000 0.856 312 R HN 0.354 nan 8.270 nan 0.000 0.436 313 M N 0.149 119.753 119.600 0.007 0.000 2.098 313 M HA -0.063 4.417 4.480 -0.000 0.000 0.262 313 M C 2.036 178.340 176.300 0.005 0.000 1.072 313 M CA 1.405 56.709 55.300 0.007 0.000 1.133 313 M CB -0.595 32.008 32.600 0.005 0.000 1.344 313 M HN 0.006 nan 8.290 nan 0.000 0.414 314 R N 0.426 120.928 120.500 0.004 0.000 2.170 314 R HA -0.171 4.169 4.340 -0.000 0.000 0.242 314 R C 1.938 178.241 176.300 0.006 0.000 1.145 314 R CA 1.214 57.315 56.100 0.003 0.000 0.984 314 R CB -0.643 29.658 30.300 0.002 0.000 0.869 314 R HN 0.415 nan 8.270 nan 0.000 0.455 315 E N 0.633 120.837 120.200 0.008 0.000 2.076 315 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 315 E C 2.046 178.655 176.600 0.015 0.000 0.979 315 E CA 0.736 57.142 56.400 0.010 0.000 0.807 315 E CB -0.125 29.581 29.700 0.010 0.000 0.761 315 E HN 0.195 nan 8.360 nan 0.000 0.454 316 L N -0.041 121.191 121.223 0.015 0.000 2.046 316 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 316 L C 2.476 179.361 176.870 0.024 0.000 1.077 316 L CA 1.111 55.964 54.840 0.021 0.000 0.747 316 L CB -0.751 41.320 42.059 0.019 0.000 0.896 316 L HN 0.192 nan 8.230 nan 0.000 0.432 317 A N 1.017 123.846 122.820 0.014 0.000 2.032 317 A HA -0.233 4.087 4.320 -0.000 0.000 0.221 317 A C 2.336 179.926 177.584 0.011 0.000 1.165 317 A CA 2.146 54.188 52.037 0.009 0.000 0.645 317 A CB -0.499 18.500 19.000 -0.001 0.000 0.807 317 A HN 0.635 nan 8.150 nan 0.000 0.453 318 R N -1.712 118.797 120.500 0.014 0.000 2.191 318 R HA 0.031 4.371 4.340 -0.000 0.000 0.196 318 R C 1.649 177.962 176.300 0.022 0.000 0.991 318 R CA 1.206 57.315 56.100 0.015 0.000 1.075 318 R CB -0.882 29.424 30.300 0.011 0.000 1.040 318 R HN 0.350 nan 8.270 nan 0.000 0.526 319 T N -0.850 113.720 114.554 0.027 0.000 3.129 319 T HA 0.345 4.695 4.350 -0.000 0.000 0.251 319 T C 0.674 175.405 174.700 0.052 0.000 1.117 319 T CA -0.103 62.018 62.100 0.036 0.000 1.034 319 T CB -0.170 68.718 68.868 0.033 0.000 0.968 319 T HN 0.122 nan 8.240 nan 0.000 0.526 320 I N 1.986 122.590 120.570 0.057 0.000 2.410 320 I HA 0.394 4.564 4.170 -0.000 0.000 0.286 320 I C -2.719 173.441 176.117 0.071 0.000 1.009 320 I CA -2.992 58.359 61.300 0.085 0.000 1.111 320 I CB 2.218 40.282 38.000 0.107 0.000 1.262 320 I HN -0.155 nan 8.210 nan 0.000 0.443 321 P HA 0.032 nan 4.420 nan 0.000 0.266 321 P C -1.848 175.470 177.300 0.031 0.000 1.195 321 P CA -0.850 62.274 63.100 0.040 0.000 0.768 321 P CB 0.156 31.876 31.700 0.034 0.000 0.838 322 P HA -0.161 nan 4.420 nan 0.000 0.220 322 P C 1.015 178.308 177.300 -0.011 0.000 1.148 322 P CA 1.655 64.756 63.100 0.002 0.000 0.803 322 P CB -0.210 31.485 31.700 -0.008 0.000 0.782 323 T N 0.393 114.935 114.554 -0.020 0.000 2.737 323 T HA -0.109 4.241 4.350 -0.000 0.000 0.265 323 T C 1.323 175.969 174.700 -0.089 0.000 1.038 323 T CA 1.851 63.926 62.100 -0.042 0.000 1.144 323 T CB -0.842 68.004 68.868 -0.037 0.000 0.866 323 T HN 0.139 nan 8.240 nan 0.000 0.434 324 D N 0.882 121.222 120.400 -0.100 0.000 2.144 324 D HA 0.023 4.663 4.640 -0.000 0.000 0.199 324 D C 2.009 178.156 176.300 -0.256 0.000 0.984 324 D CA 0.553 54.402 54.000 -0.252 0.000 0.834 324 D CB -0.382 40.364 40.800 -0.090 0.000 0.955 324 D HN 0.337 nan 8.370 nan 0.000 0.465 325 I N 0.684 121.264 120.570 0.016 0.000 2.226 325 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 325 I C 2.272 178.447 176.117 0.097 0.000 1.100 325 I CA 0.942 62.328 61.300 0.145 0.000 1.374 325 I CB -0.031 38.029 38.000 0.101 0.000 1.057 325 I HN -0.030 nan 8.210 nan 0.000 0.413 326 Q N 0.100 119.912 119.800 0.020 0.000 2.084 326 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 326 Q C 2.226 178.247 176.000 0.036 0.000 0.978 326 Q CA 1.477 57.310 55.803 0.049 0.000 0.844 326 Q CB -0.803 27.939 28.738 0.007 0.000 0.898 326 Q HN 0.413 nan 8.270 nan 0.000 0.426 327 L N -0.036 121.111 121.223 -0.127 0.000 2.012 327 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 327 L C 2.056 178.823 176.870 -0.172 0.000 1.073 327 L CA 1.768 56.475 54.840 -0.221 0.000 0.748 327 L CB -0.631 41.178 42.059 -0.416 0.000 0.891 327 L HN 0.118 nan 8.230 nan 0.000 0.431 328 Y N -2.176 118.145 120.300 0.034 0.000 2.314 328 Y HA -0.208 4.342 4.550 -0.000 0.000 0.293 328 Y C 2.407 178.348 175.900 0.069 0.000 1.129 328 Y CA 1.362 59.478 58.100 0.027 0.000 1.201 328 Y CB -1.231 37.236 38.460 0.012 0.000 0.999 328 Y HN 0.302 nan 8.280 nan 0.000 0.541 329 Y N 1.159 121.536 120.300 0.128 0.000 2.224 329 Y HA -0.273 4.277 4.550 -0.000 0.000 0.289 329 Y C 2.116 178.046 175.900 0.051 0.000 1.146 329 Y CA 1.730 59.884 58.100 0.090 0.000 1.182 329 Y CB -0.354 38.154 38.460 0.081 0.000 0.983 329 Y HN 0.161 nan 8.280 nan 0.000 0.524 330 Q N -0.868 118.962 119.800 0.051 0.000 2.046 330 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 330 Q C 2.214 178.160 176.000 -0.090 0.000 0.975 330 Q CA 2.270 58.041 55.803 -0.052 0.000 0.836 330 Q CB -0.401 28.340 28.738 0.004 0.000 0.896 330 Q HN 0.354 nan 8.270 nan 0.000 0.428 331 T N 1.232 115.765 114.554 -0.034 0.000 2.759 331 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 331 T C 1.549 176.236 174.700 -0.022 0.000 1.042 331 T CA 0.849 62.941 62.100 -0.013 0.000 1.140 331 T CB -0.038 68.865 68.868 0.057 0.000 0.864 331 T HN 0.099 nan 8.240 nan 0.000 0.455 332 L N 0.649 121.851 121.223 -0.036 0.000 2.240 332 L HA 0.114 4.454 4.340 -0.000 0.000 0.211 332 L C 2.293 179.088 176.870 -0.124 0.000 1.106 332 L CA 0.850 55.658 54.840 -0.053 0.000 0.793 332 L CB -1.263 40.776 42.059 -0.033 0.000 0.927 332 L HN 0.284 nan 8.230 nan 0.000 0.446 333 L N 0.309 121.393 121.223 -0.232 0.000 2.005 333 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 333 L C 2.490 179.284 176.870 -0.127 0.000 1.072 333 L CA 1.819 56.501 54.840 -0.264 0.000 0.744 333 L CB -0.615 41.211 42.059 -0.388 0.000 0.895 333 L HN 0.138 nan 8.230 nan 0.000 0.433 334 I N -0.077 120.435 120.570 -0.098 0.000 2.163 334 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 334 I C 2.484 178.585 176.117 -0.027 0.000 1.085 334 I CA 1.360 62.627 61.300 -0.054 0.000 1.347 334 I CB -0.955 37.012 38.000 -0.054 0.000 1.044 334 I HN 0.360 nan 8.210 nan 0.000 0.408 335 G N 0.368 109.153 108.800 -0.025 0.000 2.498 335 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.219 335 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.219 335 G C 1.794 176.695 174.900 0.002 0.000 1.119 335 G CA 0.369 45.467 45.100 -0.004 0.000 0.766 335 G HN 0.321 nan 8.290 nan 0.000 0.552 336 R N 0.432 120.925 120.500 -0.011 0.000 2.075 336 R HA 0.059 4.399 4.340 -0.000 0.000 0.226 336 R C 2.330 178.638 176.300 0.013 0.000 1.114 336 R CA 1.055 57.154 56.100 -0.002 0.000 0.972 336 R CB -0.192 30.093 30.300 -0.024 0.000 0.869 336 R HN 0.253 nan 8.270 nan 0.000 0.437 337 K N 0.399 120.809 120.400 0.018 0.000 2.097 337 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 337 K C 1.891 178.567 176.600 0.126 0.000 1.050 337 K CA 1.616 57.938 56.287 0.057 0.000 0.938 337 K CB 0.001 32.528 32.500 0.045 0.000 0.718 337 K HN 0.331 nan 8.250 nan 0.000 0.442 338 E N 0.923 121.184 120.200 0.101 0.000 2.274 338 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 338 E C 1.872 178.558 176.600 0.142 0.000 0.996 338 E CA 0.248 56.736 56.400 0.148 0.000 0.840 338 E CB -0.068 29.673 29.700 0.068 0.000 0.772 338 E HN 0.094 nan 8.360 nan 0.000 0.491 339 L N 2.299 123.557 121.223 0.060 0.000 1.976 339 L HA -0.206 4.134 4.340 -0.000 0.000 0.223 339 L C -0.760 176.092 176.870 -0.030 0.000 1.081 339 L CA 2.359 57.206 54.840 0.012 0.000 0.784 339 L CB -1.059 41.004 42.059 0.007 0.000 0.896 339 L HN 0.112 nan 8.230 nan 0.000 0.438 340 P HA -0.195 nan 4.420 nan 0.000 0.228 340 P C 0.911 178.043 177.300 -0.280 0.000 1.151 340 P CA 1.636 64.590 63.100 -0.243 0.000 0.770 340 P CB -0.211 31.252 31.700 -0.394 0.000 0.786 341 Y N -0.209 120.085 120.300 -0.009 0.000 2.478 341 Y HA 0.355 4.905 4.550 -0.000 0.000 0.261 341 Y C 1.851 177.741 175.900 -0.017 0.000 1.127 341 Y CA -0.456 57.637 58.100 -0.011 0.000 1.288 341 Y CB -0.291 38.163 38.460 -0.010 0.000 1.084 341 Y HN -0.084 nan 8.280 nan 0.000 0.530 342 A N 2.065 124.945 122.820 0.100 0.000 2.429 342 A HA 0.056 4.376 4.320 -0.000 0.000 0.242 342 A C -0.983 176.612 177.584 0.018 0.000 1.088 342 A CA -0.816 51.245 52.037 0.039 0.000 0.784 342 A CB -0.335 18.659 19.000 -0.009 0.000 1.038 342 A HN 0.161 nan 8.150 nan 0.000 0.501 343 P HA -0.010 nan 4.420 nan 0.000 0.223 343 P C -0.245 177.043 177.300 -0.020 0.000 1.151 343 P CA 1.631 64.729 63.100 -0.004 0.000 0.787 343 P CB -0.029 31.665 31.700 -0.009 0.000 0.788 344 D N -1.811 118.562 120.400 -0.045 0.000 2.871 344 D HA 0.133 4.773 4.640 -0.000 0.000 0.209 344 D C 1.078 177.300 176.300 -0.130 0.000 1.292 344 D CA -0.660 53.298 54.000 -0.070 0.000 0.869 344 D CB 1.117 41.872 40.800 -0.074 0.000 1.663 344 D HN -0.383 nan 8.370 nan 0.000 0.557 345 R N 2.024 122.449 120.500 -0.124 0.000 2.133 345 R HA -0.180 4.160 4.340 -0.000 0.000 0.247 345 R C 1.993 177.978 176.300 -0.525 0.000 1.151 345 R CA 1.475 57.464 56.100 -0.184 0.000 0.971 345 R CB -0.157 30.134 30.300 -0.015 0.000 0.866 345 R HN 0.510 nan 8.270 nan 0.000 0.447 346 R N 0.829 120.867 120.500 -0.770 0.000 2.081 346 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 346 R C 2.327 178.204 176.300 -0.706 0.000 1.131 346 R CA 1.543 56.860 56.100 -1.304 0.000 0.960 346 R CB -0.251 29.540 30.300 -0.849 0.000 0.856 346 R HN 0.155 nan 8.270 nan 0.000 0.436 347 M N 0.215 119.582 119.600 -0.389 0.000 2.144 347 M HA -0.132 4.348 4.480 -0.000 0.000 0.260 347 M C 1.906 178.091 176.300 -0.191 0.000 1.067 347 M CA 2.201 57.363 55.300 -0.230 0.000 1.095 347 M CB -0.331 32.184 32.600 -0.142 0.000 1.365 347 M HN 0.386 nan 8.290 nan 0.000 0.406 348 G N -0.575 108.107 108.800 -0.196 0.000 2.433 348 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 348 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 348 G C 1.291 176.121 174.900 -0.117 0.000 1.186 348 G CA 1.107 46.136 45.100 -0.118 0.000 0.779 348 G HN 0.396 nan 8.290 nan 0.000 0.543 349 V N 1.141 120.943 119.914 -0.187 0.000 2.252 349 V HA -0.251 3.869 4.120 -0.000 0.000 0.249 349 V C 2.715 178.748 176.094 -0.101 0.000 1.056 349 V CA 2.408 64.636 62.300 -0.120 0.000 1.022 349 V CB -0.758 30.964 31.823 -0.168 0.000 0.641 349 V HN 0.483 nan 8.190 nan 0.000 0.445 350 E N -0.647 119.447 120.200 -0.177 0.000 2.097 350 E HA -0.264 4.086 4.350 -0.000 0.000 0.196 350 E C 2.200 178.770 176.600 -0.049 0.000 1.000 350 E CA 1.468 57.805 56.400 -0.104 0.000 0.804 350 E CB -0.227 29.395 29.700 -0.131 0.000 0.740 350 E HN 0.416 nan 8.360 nan 0.000 0.454 351 M N 0.173 119.741 119.600 -0.053 0.000 2.349 351 M HA -0.055 4.425 4.480 -0.000 0.000 0.266 351 M C 2.145 178.453 176.300 0.013 0.000 1.076 351 M CA 1.085 56.376 55.300 -0.015 0.000 1.126 351 M CB -0.410 32.179 32.600 -0.019 0.000 1.392 351 M HN 0.045 nan 8.290 nan 0.000 0.440 352 T N 1.276 115.833 114.554 0.005 0.000 2.746 352 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 352 T C 1.893 176.624 174.700 0.051 0.000 1.039 352 T CA 1.074 63.190 62.100 0.027 0.000 1.142 352 T CB -0.157 68.721 68.868 0.016 0.000 0.866 352 T HN 0.301 nan 8.240 nan 0.000 0.444 353 L N 0.233 121.481 121.223 0.042 0.000 2.109 353 L HA 0.092 4.432 4.340 -0.000 0.000 0.207 353 L C 2.327 179.240 176.870 0.072 0.000 1.086 353 L CA 0.754 55.628 54.840 0.057 0.000 0.760 353 L CB -0.405 41.681 42.059 0.045 0.000 0.910 353 L HN 0.217 nan 8.230 nan 0.000 0.437 354 L N -0.472 120.783 121.223 0.054 0.000 2.265 354 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 354 L C 2.738 179.661 176.870 0.089 0.000 1.117 354 L CA 0.955 55.828 54.840 0.055 0.000 0.782 354 L CB -0.264 41.812 42.059 0.029 0.000 0.914 354 L HN 0.238 nan 8.230 nan 0.000 0.441 355 R N -0.424 120.150 120.500 0.123 0.000 2.100 355 R HA -0.060 4.280 4.340 -0.000 0.000 0.220 355 R C 2.345 178.812 176.300 0.279 0.000 1.091 355 R CA 1.067 57.297 56.100 0.216 0.000 0.986 355 R CB -0.111 30.295 30.300 0.178 0.000 0.888 355 R HN 0.295 nan 8.270 nan 0.000 0.444 356 A N 0.800 123.745 122.820 0.209 0.000 1.898 356 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 356 A C 1.909 179.657 177.584 0.272 0.000 1.181 356 A CA 0.943 53.127 52.037 0.245 0.000 0.620 356 A CB -0.456 18.658 19.000 0.190 0.000 0.819 356 A HN 0.278 nan 8.150 nan 0.000 0.442 357 L N -0.630 120.719 121.223 0.208 0.000 2.131 357 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 357 L C 2.728 179.678 176.870 0.133 0.000 1.092 357 L CA 1.798 56.752 54.840 0.191 0.000 0.759 357 L CB -0.744 41.379 42.059 0.107 0.000 0.903 357 L HN 0.398 nan 8.230 nan 0.000 0.435 358 A N -2.335 120.530 122.820 0.076 0.000 1.984 358 A HA 0.001 4.321 4.320 -0.000 0.000 0.214 358 A C 1.426 178.865 177.584 -0.242 0.000 1.173 358 A CA 0.562 52.529 52.037 -0.116 0.000 0.673 358 A CB -0.434 18.439 19.000 -0.212 0.000 0.830 358 A HN 0.323 nan 8.150 nan 0.000 0.453 359 F N -0.172 119.838 119.950 0.101 0.000 2.925 359 F HA 0.256 4.783 4.527 0.000 0.000 0.302 359 F C 0.604 176.475 175.800 0.119 0.000 1.189 359 F CA -0.485 57.564 58.000 0.082 0.000 1.346 359 F CB -0.219 38.804 39.000 0.039 0.000 0.954 359 F HN 0.294 nan 8.300 nan 0.000 0.506 360 H N 0.517 119.700 119.070 0.189 0.000 2.652 360 H HA 0.129 4.685 4.556 0.000 0.000 0.349 360 H C -1.555 173.857 175.328 0.140 0.000 1.099 360 H CA -1.448 54.730 56.048 0.215 0.000 1.417 360 H CB 1.316 31.185 29.762 0.179 0.000 1.457 360 H HN -0.041 nan 8.280 nan 0.000 0.568 361 P HA -0.108 nan 4.420 nan 0.000 0.214 361 P C -0.165 177.285 177.300 0.251 0.000 1.162 361 P CA 1.144 64.391 63.100 0.244 0.000 0.874 361 P CB 0.293 32.094 31.700 0.167 0.000 0.784 362 R N -0.393 120.318 120.500 0.352 0.000 2.540 362 R HA 0.415 4.755 4.340 -0.000 0.000 0.287 362 R C -0.112 176.144 176.300 -0.073 0.000 0.980 362 R CA -0.561 55.607 56.100 0.113 0.000 0.966 362 R CB 0.182 30.538 30.300 0.094 0.000 1.106 362 R HN -0.062 nan 8.270 nan 0.000 0.480 363 M N 2.549 122.106 119.600 -0.072 0.000 2.303 363 M HA -0.173 4.307 4.480 -0.000 0.000 0.189 363 M C -2.153 174.077 176.300 -0.116 0.000 0.688 363 M CA 0.123 55.354 55.300 -0.114 0.000 0.479 363 M CB -1.202 31.300 32.600 -0.162 0.000 1.094 363 M HN 0.436 nan 8.290 nan 0.000 0.907 364 P HA 0.427 nan 4.420 nan 0.000 0.278 364 P C -0.125 177.149 177.300 -0.044 0.000 1.266 364 P CA -0.675 62.414 63.100 -0.018 0.000 0.807 364 P CB 0.741 32.445 31.700 0.008 0.000 1.094 365 L N 1.420 122.612 121.223 -0.051 0.000 2.573 365 L HA 0.093 4.433 4.340 -0.000 0.000 0.290 365 L C -1.260 175.579 176.870 -0.052 0.000 1.247 365 L CA -0.990 53.818 54.840 -0.053 0.000 0.876 365 L CB -0.929 41.093 42.059 -0.062 0.000 1.123 365 L HN 0.374 nan 8.230 nan 0.000 0.505 366 P HA 0.421 nan 4.420 nan 0.000 0.285 366 P C -1.436 175.844 177.300 -0.033 0.000 1.269 366 P CA -0.697 62.383 63.100 -0.034 0.000 0.844 366 P CB 1.558 33.242 31.700 -0.027 0.000 1.094 367 E N 0.826 121.009 120.200 -0.028 0.000 2.321 367 E HA 0.415 4.765 4.350 -0.000 0.000 0.281 367 E C -1.996 174.593 176.600 -0.018 0.000 0.910 367 E CA -1.177 55.208 56.400 -0.025 0.000 0.770 367 E CB 0.927 30.610 29.700 -0.029 0.000 1.225 367 E HN 0.506 nan 8.360 nan 0.000 0.417 5011 R N 2.065 122.618 120.500 0.087 0.000 2.504 5011 R HA 0.085 4.425 4.340 -0.000 0.000 0.291 5011 R C -2.090 174.222 176.300 0.021 0.000 0.974 5011 R CA -0.689 55.438 56.100 0.044 0.000 1.077 5011 R CB 0.324 30.624 30.300 -0.000 0.000 0.926 5011 R HN -0.319 nan 8.270 nan 0.000 0.407 5012 P HA -0.029 nan 4.420 nan 0.000 0.264 5012 P C -0.307 176.985 177.300 -0.014 0.000 1.193 5012 P CA 0.144 63.259 63.100 0.026 0.000 0.763 5012 P CB 0.788 32.509 31.700 0.035 0.000 0.810 5013 Q N 0.639 120.420 119.800 -0.032 0.000 2.282 5013 Q HA 0.161 4.501 4.340 -0.000 0.000 0.206 5013 Q C 0.021 175.980 176.000 -0.069 0.000 0.878 5013 Q CA 0.719 56.484 55.803 -0.064 0.000 0.944 5013 Q CB 0.478 29.166 28.738 -0.084 0.000 1.100 5013 Q HN 0.490 nan 8.270 nan 0.000 0.509 5014 T N -1.712 112.824 114.554 -0.029 0.000 2.802 5014 T HA 0.328 4.678 4.350 -0.000 0.000 0.311 5014 T C 0.231 174.998 174.700 0.111 0.000 1.405 5014 T CA -0.669 61.412 62.100 -0.031 0.000 1.016 5014 T CB 0.412 69.263 68.868 -0.028 0.000 1.352 5014 T HN -0.269 nan 8.240 nan 0.000 0.498 5015 F N 1.385 121.293 119.950 -0.071 0.000 2.126 5015 F HA -0.031 4.496 4.527 -0.000 0.000 0.299 5015 F C 2.897 178.661 175.800 -0.060 0.000 1.096 5015 F CA 1.394 59.348 58.000 -0.076 0.000 1.255 5015 F CB -1.439 37.515 39.000 -0.077 0.000 0.997 5015 F HN 0.837 nan 8.300 nan 0.000 0.479 5016 A N -0.123 122.796 122.820 0.164 0.000 1.971 5016 A HA -0.233 4.087 4.320 -0.000 0.000 0.222 5016 A C 0.686 178.296 177.584 0.044 0.000 1.182 5016 A CA 2.095 54.175 52.037 0.072 0.000 0.649 5016 A CB -1.296 17.729 19.000 0.042 0.000 0.818 5016 A HN 0.502 nan 8.150 nan 0.000 0.458 5017 D N 0.000 120.431 120.400 0.051 0.000 6.856 5017 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 5017 D CA 0.000 54.027 54.000 0.045 0.000 0.868 5017 D CB 0.000 40.836 40.800 0.060 0.000 0.688 5017 D HN 0.000 nan 8.370 nan 0.000 0.683