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 2grx_1_B DATA FIRST_RESID 19 DATA SEQUENCE ESAWGPAATI AARQSATGTK TDTPIQKVPQ SISVVTAEEM ALHQPKSVKE DATA SEQUENCE ALSYTPGVSV GTRGASNTYD HLIIRGFAAE GQSQNNYLNG LKLQGNFYND DATA SEQUENCE AVIDPYMLER AEIMRGPVSV LYGKSSPGGL LNMVSKRPTT EPLKEVQFKA DATA SEQUENCE GTDSLFQTGF DFSDSLDDDG VYSYRLTGLA RSANAQQKGS EEQRYAIAPA DATA SEQUENCE FTWRPDDKTN FTFLSYFQNE PETGYYGWLP KEGTVEPLPN GKRLPTDFNE DATA SEQUENCE GAKNNTYSRN EKMVGYSFDH EFNDTFTVRQ NLRFAENKTS QNSVYGYGVc DATA SEQUENCE SDPANAYSKQ cAALAPADKG HYLARKYVVD DEKLQNFSVD TQLQSKFATG DATA SEQUENCE DIDHTLLTGV DFMRMRNDIN AWFGYDDSVP LLNLXXXXXX XXXXXXXXXX DATA SEQUENCE TDFDFNAKDP ANSGPYRILN KQKQTGVYVQ DQAQWDKVLV TLGGRYDWAD DATA SEQUENCE QESLNRVAGT TDKRDDKQFT WRGGVNYLFD NGVTPYFSYS ESFEPSSQVG DATA SEQUENCE KDGNIFAPSK GKQYEVGVKY VPEDRPIVVT GAVYNLTKTN NLMADPEGSF DATA SEQUENCE FSVEGGEIRA RGVEIEAKAA LSASVNVVGS YTYTDAEYTT DTTYKGNTPA DATA SEQUENCE QVPKHMASLW ADYTFFDGPL SGLTLGTGGR YTGSSYGDPA NSFKVGSYTV DATA SEQUENCE VDALVRYDLA RVGMAGSNVA LHVNNLFDRE YVAScFNTYG cFWGAERQVV DATA SEQUENCE ATATFRF 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 19 E HA 0.000 nan 4.350 nan 0.000 0.291 19 E C 0.000 176.578 176.600 -0.037 0.000 1.382 19 E CA 0.000 56.381 56.400 -0.032 0.000 0.976 19 E CB 0.000 29.670 29.700 -0.051 0.000 0.812 20 S N 0.466 116.146 115.700 -0.034 0.000 2.568 20 S HA 0.711 5.185 4.470 0.007 0.000 0.302 20 S C 0.432 174.951 174.600 -0.134 0.000 1.082 20 S CA 0.355 58.534 58.200 -0.035 0.000 1.009 20 S CB 1.551 64.794 63.200 0.070 0.000 1.069 20 S HN 0.621 nan 8.310 nan 0.000 0.500 21 A N 2.894 125.520 122.820 -0.323 0.000 2.016 21 A HA 0.142 4.466 4.320 0.007 0.000 0.217 21 A C 1.277 178.541 177.584 -0.534 0.000 1.162 21 A CA 0.411 52.104 52.037 -0.574 0.000 0.662 21 A CB -0.319 18.067 19.000 -1.023 0.000 0.812 21 A HN 0.909 nan 8.150 nan 0.000 0.450 22 W N -0.428 120.852 121.300 -0.033 0.000 3.103 22 W HA 0.302 4.965 4.660 0.006 0.000 0.325 22 W C 0.960 177.457 176.519 -0.038 0.000 1.170 22 W CA -0.017 57.307 57.345 -0.036 0.000 1.712 22 W CB -0.400 29.044 29.460 -0.028 0.000 1.068 22 W HN 0.339 nan 8.180 nan 0.000 0.592 23 G N 1.136 110.016 108.800 0.133 0.000 2.532 23 G HA2 0.501 4.465 3.960 0.007 0.000 0.291 23 G HA3 0.501 4.465 3.960 0.007 0.000 0.291 23 G C -2.718 172.189 174.900 0.012 0.000 1.349 23 G CA -0.941 44.203 45.100 0.072 0.000 1.038 23 G HN -0.318 nan 8.290 nan 0.000 0.518 24 P HA 0.451 nan 4.420 nan 0.000 0.278 24 P C -0.671 176.608 177.300 -0.035 0.000 1.258 24 P CA -0.225 62.858 63.100 -0.028 0.000 0.811 24 P CB 1.243 32.926 31.700 -0.028 0.000 1.063 25 A N 1.100 123.892 122.820 -0.046 0.000 2.306 25 A HA 0.557 4.881 4.320 0.007 0.000 0.314 25 A C 1.443 179.004 177.584 -0.038 0.000 1.164 25 A CA 0.039 52.046 52.037 -0.049 0.000 0.822 25 A CB 0.295 19.259 19.000 -0.060 0.000 1.130 25 A HN 0.532 nan 8.150 nan 0.000 0.496 26 A N 1.870 124.669 122.820 -0.034 0.000 1.917 26 A HA 0.110 4.434 4.320 0.007 0.000 0.219 26 A C 1.468 179.038 177.584 -0.022 0.000 1.182 26 A CA 2.572 54.595 52.037 -0.025 0.000 0.633 26 A CB -0.847 18.138 19.000 -0.025 0.000 0.819 26 A HN 1.559 nan 8.150 nan 0.000 0.448 27 T N -4.334 110.202 114.554 -0.029 0.000 2.626 27 T HA 0.504 4.858 4.350 0.007 0.000 0.279 27 T C 1.008 175.689 174.700 -0.030 0.000 0.983 27 T CA -0.009 62.078 62.100 -0.023 0.000 1.059 27 T CB 0.380 69.236 68.868 -0.019 0.000 1.396 27 T HN 0.547 nan 8.240 nan 0.000 0.519 28 I N -1.027 119.528 120.570 -0.023 0.000 3.291 28 I HA 0.467 4.641 4.170 0.007 0.000 0.279 28 I C 1.091 177.187 176.117 -0.035 0.000 1.294 28 I CA -0.114 61.166 61.300 -0.033 0.000 1.428 28 I CB -0.503 37.483 38.000 -0.024 0.000 1.070 28 I HN 0.567 nan 8.210 nan 0.000 0.478 29 A N 2.239 125.038 122.820 -0.035 0.000 2.582 29 A HA 0.767 5.091 4.320 0.007 0.000 0.336 29 A C 0.698 178.246 177.584 -0.059 0.000 1.445 29 A CA -0.352 51.659 52.037 -0.043 0.000 0.997 29 A CB -0.357 18.617 19.000 -0.043 0.000 1.148 29 A HN 0.439 nan 8.150 nan 0.000 0.514 30 A N 2.307 125.087 122.820 -0.066 0.000 2.520 30 A HA 0.344 4.668 4.320 0.007 0.000 0.235 30 A C 1.146 178.677 177.584 -0.088 0.000 1.065 30 A CA 0.182 52.171 52.037 -0.080 0.000 0.764 30 A CB 0.135 19.081 19.000 -0.091 0.000 1.002 30 A HN 0.882 nan 8.150 nan 0.000 0.502 31 R N -0.243 120.201 120.500 -0.094 0.000 2.342 31 R HA 0.134 4.478 4.340 0.007 0.000 0.204 31 R C -0.212 176.021 176.300 -0.112 0.000 0.882 31 R CA 0.342 56.383 56.100 -0.097 0.000 1.041 31 R CB 0.376 30.625 30.300 -0.085 0.000 1.188 31 R HN 0.830 nan 8.270 nan 0.000 0.598 32 Q N 0.530 120.252 119.800 -0.130 0.000 2.304 32 Q HA 0.363 4.707 4.340 0.007 0.000 0.270 32 Q C -1.208 174.662 176.000 -0.217 0.000 1.035 32 Q CA -0.337 55.367 55.803 -0.165 0.000 0.781 32 Q CB 2.742 31.383 28.738 -0.162 0.000 1.261 32 Q HN -0.043 nan 8.270 nan 0.000 0.444 33 S N 0.681 116.242 115.700 -0.232 0.000 2.751 33 S HA 0.846 5.320 4.470 0.007 0.000 0.310 33 S C -0.533 173.870 174.600 -0.330 0.000 1.128 33 S CA 0.285 58.322 58.200 -0.272 0.000 0.931 33 S CB 1.862 64.942 63.200 -0.200 0.000 1.177 33 S HN 0.679 nan 8.310 nan 0.000 0.530 34 A N 0.414 123.032 122.820 -0.337 0.000 2.733 34 A HA 0.275 4.599 4.320 0.007 0.000 0.232 34 A C 0.866 178.387 177.584 -0.106 0.000 1.251 34 A CA 0.602 52.464 52.037 -0.290 0.000 1.015 34 A CB -0.425 18.231 19.000 -0.574 0.000 1.291 34 A HN 1.108 nan 8.150 nan 0.000 0.595 35 T N -3.262 111.234 114.554 -0.098 0.000 3.330 35 T HA 0.434 4.788 4.350 0.007 0.000 0.249 35 T C 0.988 175.688 174.700 -0.000 0.000 0.980 35 T CA 0.863 62.958 62.100 -0.009 0.000 0.920 35 T CB 0.056 68.869 68.868 -0.092 0.000 1.065 35 T HN 0.545 nan 8.240 nan 0.000 0.588 36 G N 0.388 109.175 108.800 -0.021 0.000 3.314 36 G HA2 0.246 4.210 3.960 0.007 0.000 0.230 36 G HA3 0.246 4.210 3.960 0.007 0.000 0.230 36 G C 0.917 175.787 174.900 -0.049 0.000 1.058 36 G CA 0.298 45.374 45.100 -0.040 0.000 0.926 36 G HN 0.635 nan 8.290 nan 0.000 0.564 37 T N -3.255 111.269 114.554 -0.049 0.000 3.252 37 T HA 0.234 4.588 4.350 0.007 0.000 0.295 37 T C 0.780 175.463 174.700 -0.029 0.000 0.897 37 T CA 0.405 62.470 62.100 -0.057 0.000 0.905 37 T CB -0.031 68.804 68.868 -0.055 0.000 1.202 37 T HN 0.093 nan 8.240 nan 0.000 0.592 38 K N 1.793 122.190 120.400 -0.005 0.000 3.069 38 K HA -0.142 4.182 4.320 0.007 0.000 0.267 38 K C -0.712 175.969 176.600 0.134 0.000 1.082 38 K CA 1.127 57.458 56.287 0.074 0.000 0.782 38 K CB -2.263 30.252 32.500 0.025 0.000 1.230 38 K HN 0.828 nan 8.250 nan 0.000 0.488 39 T N -2.708 111.881 114.554 0.058 0.000 2.956 39 T HA 0.165 4.519 4.350 0.007 0.000 0.312 39 T C -0.814 173.833 174.700 -0.088 0.000 1.151 39 T CA -1.134 61.001 62.100 0.057 0.000 1.024 39 T CB 2.046 70.937 68.868 0.039 0.000 1.140 39 T HN 0.034 nan 8.240 nan 0.000 0.473 40 D N 2.010 122.342 120.400 -0.114 0.000 2.426 40 D HA 0.235 4.879 4.640 0.007 0.000 0.261 40 D C -0.588 175.617 176.300 -0.157 0.000 1.245 40 D CA 0.945 54.784 54.000 -0.268 0.000 0.917 40 D CB 0.357 41.072 40.800 -0.142 0.000 1.123 40 D HN 0.583 nan 8.370 nan 0.000 0.508 41 T N 5.339 119.781 114.554 -0.187 0.000 3.032 41 T HA 0.318 4.672 4.350 0.007 0.000 0.312 41 T C -2.600 172.017 174.700 -0.140 0.000 1.078 41 T CA -1.111 60.909 62.100 -0.133 0.000 1.028 41 T CB 2.509 71.308 68.868 -0.115 0.000 1.091 41 T HN 0.236 nan 8.240 nan 0.000 0.457 42 P HA 0.223 nan 4.420 nan 0.000 0.268 42 P C 1.034 178.263 177.300 -0.117 0.000 1.204 42 P CA -0.178 62.858 63.100 -0.107 0.000 0.768 42 P CB 0.746 32.398 31.700 -0.081 0.000 0.842 43 I N 2.023 122.519 120.570 -0.124 0.000 2.143 43 I HA -0.372 3.802 4.170 0.007 0.000 0.245 43 I C 2.625 178.655 176.117 -0.145 0.000 1.068 43 I CA 1.869 63.089 61.300 -0.134 0.000 1.326 43 I CB -0.785 37.142 38.000 -0.121 0.000 1.028 43 I HN 0.462 nan 8.210 nan 0.000 0.412 44 Q N 2.142 121.873 119.800 -0.116 0.000 2.112 44 Q HA -0.263 4.081 4.340 0.007 0.000 0.206 44 Q C 1.672 177.587 176.000 -0.142 0.000 0.987 44 Q CA 1.726 57.462 55.803 -0.111 0.000 0.858 44 Q CB -0.821 27.888 28.738 -0.048 0.000 0.905 44 Q HN 0.523 nan 8.270 nan 0.000 0.420 45 K N 0.793 121.123 120.400 -0.116 0.000 2.574 45 K HA 0.104 4.429 4.320 0.007 0.000 0.193 45 K C -0.005 176.506 176.600 -0.148 0.000 1.035 45 K CA 0.111 56.330 56.287 -0.112 0.000 0.982 45 K CB 0.170 32.620 32.500 -0.085 0.000 0.795 45 K HN 0.024 nan 8.250 nan 0.000 0.491 46 V N 3.594 123.390 119.914 -0.198 0.000 2.408 46 V HA 0.045 4.169 4.120 0.007 0.000 0.267 46 V C -1.314 174.589 176.094 -0.317 0.000 1.047 46 V CA -1.349 60.822 62.300 -0.215 0.000 0.937 46 V CB 1.211 32.912 31.823 -0.203 0.000 0.999 46 V HN 0.102 nan 8.190 nan 0.000 0.472 47 P HA -0.090 nan 4.420 nan 0.000 0.236 47 P C 0.216 177.433 177.300 -0.138 0.000 1.172 47 P CA 0.817 63.810 63.100 -0.179 0.000 0.759 47 P CB 0.610 32.266 31.700 -0.074 0.000 0.843 48 Q N -1.029 118.648 119.800 -0.206 0.000 2.495 48 Q HA 0.434 4.779 4.340 0.007 0.000 0.287 48 Q C -0.810 175.107 176.000 -0.138 0.000 1.078 48 Q CA -0.803 54.941 55.803 -0.098 0.000 0.793 48 Q CB 2.241 30.920 28.738 -0.098 0.000 1.459 48 Q HN -0.242 nan 8.270 nan 0.000 0.422 49 S N 1.276 116.950 115.700 -0.044 0.000 2.549 49 S HA 0.388 4.862 4.470 0.007 0.000 0.283 49 S C -0.419 174.122 174.600 -0.099 0.000 1.320 49 S CA -0.092 58.081 58.200 -0.044 0.000 1.058 49 S CB 0.111 63.308 63.200 -0.004 0.000 0.882 49 S HN 0.380 nan 8.310 nan 0.000 0.498 50 I N 2.209 122.721 120.570 -0.095 0.000 3.191 50 I HA 0.528 4.702 4.170 0.007 0.000 0.313 50 I C -0.401 175.664 176.117 -0.086 0.000 1.193 50 I CA -0.570 60.665 61.300 -0.109 0.000 0.968 50 I CB 2.023 39.946 38.000 -0.127 0.000 1.262 50 I HN 0.545 nan 8.210 nan 0.000 0.456 51 S N 1.220 116.865 115.700 -0.092 0.000 2.537 51 S HA 0.686 5.160 4.470 0.007 0.000 0.271 51 S C -1.263 173.287 174.600 -0.084 0.000 1.148 51 S CA -0.500 57.657 58.200 -0.072 0.000 0.868 51 S CB 2.761 65.926 63.200 -0.059 0.000 1.115 51 S HN 0.276 nan 8.310 nan 0.000 0.461 52 V N 2.691 122.562 119.914 -0.073 0.000 2.498 52 V HA 0.318 4.442 4.120 0.007 0.000 0.283 52 V C -0.683 175.370 176.094 -0.068 0.000 1.015 52 V CA -0.625 61.627 62.300 -0.080 0.000 0.867 52 V CB 1.635 33.402 31.823 -0.092 0.000 1.025 52 V HN 0.704 nan 8.190 nan 0.000 0.441 53 V N 4.763 124.638 119.914 -0.066 0.000 2.405 53 V HA 0.249 4.374 4.120 0.007 0.000 0.264 53 V C 0.967 177.017 176.094 -0.073 0.000 1.048 53 V CA -0.111 62.151 62.300 -0.063 0.000 0.966 53 V CB 1.307 33.096 31.823 -0.056 0.000 1.015 53 V HN 0.969 nan 8.190 nan 0.000 0.477 54 T N 3.036 117.545 114.554 -0.075 0.000 2.860 54 T HA 0.405 4.759 4.350 0.007 0.000 0.299 54 T C 1.455 176.103 174.700 -0.087 0.000 1.045 54 T CA 0.010 62.063 62.100 -0.078 0.000 1.071 54 T CB 1.460 70.285 68.868 -0.073 0.000 0.985 54 T HN 0.697 nan 8.240 nan 0.000 0.537 55 A N 0.718 123.484 122.820 -0.090 0.000 1.877 55 A HA -0.127 4.198 4.320 0.007 0.000 0.216 55 A C 2.273 179.795 177.584 -0.104 0.000 1.186 55 A CA 1.865 53.839 52.037 -0.104 0.000 0.620 55 A CB -1.028 17.901 19.000 -0.117 0.000 0.822 55 A HN 1.050 nan 8.150 nan 0.000 0.443 56 E N -0.211 119.935 120.200 -0.090 0.000 2.070 56 E HA -0.297 4.058 4.350 0.007 0.000 0.197 56 E C 2.022 178.558 176.600 -0.106 0.000 1.004 56 E CA 1.690 58.041 56.400 -0.082 0.000 0.805 56 E CB -0.215 29.449 29.700 -0.059 0.000 0.744 56 E HN 0.758 nan 8.360 nan 0.000 0.451 57 E N -0.111 120.019 120.200 -0.116 0.000 2.031 57 E HA -0.221 4.133 4.350 0.007 0.000 0.193 57 E C 2.269 178.757 176.600 -0.187 0.000 0.994 57 E CA 1.465 57.764 56.400 -0.168 0.000 0.800 57 E CB -0.100 29.514 29.700 -0.143 0.000 0.752 57 E HN 0.349 nan 8.360 nan 0.000 0.447 58 M N 0.626 120.151 119.600 -0.125 0.000 2.082 58 M HA -0.176 4.308 4.480 0.007 0.000 0.258 58 M C 1.849 178.073 176.300 -0.128 0.000 1.071 58 M CA 1.486 56.727 55.300 -0.098 0.000 1.103 58 M CB -0.478 32.074 32.600 -0.079 0.000 1.307 58 M HN 0.100 nan 8.290 nan 0.000 0.409 59 A N 0.361 123.106 122.820 -0.125 0.000 2.863 59 A HA 0.192 4.516 4.320 0.007 0.000 0.246 59 A C 1.242 178.728 177.584 -0.164 0.000 1.772 59 A CA 0.457 52.419 52.037 -0.125 0.000 1.456 59 A CB -1.052 17.895 19.000 -0.087 0.000 0.930 59 A HN 0.663 nan 8.150 nan 0.000 0.630 60 L N -3.051 118.016 121.223 -0.259 0.000 3.617 60 L HA 0.302 4.646 4.340 0.007 0.000 0.336 60 L C 0.902 177.473 176.870 -0.498 0.000 1.141 60 L CA 0.108 54.751 54.840 -0.328 0.000 1.225 60 L CB 0.421 42.214 42.059 -0.443 0.000 1.725 60 L HN 0.454 nan 8.230 nan 0.000 0.621 61 H N -0.370 118.534 119.070 -0.277 0.000 3.170 61 H HA 0.260 4.821 4.556 0.007 0.000 0.264 61 H C 0.024 175.186 175.328 -0.277 0.000 1.113 61 H CA 0.015 55.930 56.048 -0.222 0.000 1.194 61 H CB 0.855 30.491 29.762 -0.209 0.000 1.553 61 H HN 0.235 nan 8.280 nan 0.000 0.538 62 Q N 1.493 121.125 119.800 -0.281 0.000 2.443 62 Q HA -0.114 4.231 4.340 0.007 0.000 0.337 62 Q C -2.474 173.462 176.000 -0.106 0.000 1.401 62 Q CA -0.043 55.603 55.803 -0.260 0.000 0.943 62 Q CB -0.807 27.652 28.738 -0.464 0.000 1.177 62 Q HN 0.386 nan 8.270 nan 0.000 0.394 63 P HA -0.002 nan 4.420 nan 0.000 0.271 63 P C -0.114 177.168 177.300 -0.029 0.000 1.216 63 P CA 0.083 63.168 63.100 -0.025 0.000 0.776 63 P CB 1.006 32.695 31.700 -0.019 0.000 0.881 64 K N 0.676 121.060 120.400 -0.027 0.000 2.487 64 K HA 0.081 4.405 4.320 0.007 0.000 0.192 64 K C 0.602 177.181 176.600 -0.035 0.000 1.027 64 K CA 0.324 56.590 56.287 -0.034 0.000 1.054 64 K CB 0.198 32.676 32.500 -0.037 0.000 0.824 64 K HN 0.692 nan 8.250 nan 0.000 0.510 65 S N -2.965 112.716 115.700 -0.031 0.000 2.615 65 S HA 0.103 4.577 4.470 0.007 0.000 0.268 65 S C 0.630 175.210 174.600 -0.033 0.000 1.146 65 S CA -0.980 57.199 58.200 -0.035 0.000 0.818 65 S CB 1.216 64.388 63.200 -0.046 0.000 1.111 65 S HN -0.209 nan 8.310 nan 0.000 0.465 66 V N 1.587 121.476 119.914 -0.041 0.000 2.759 66 V HA -0.057 4.067 4.120 0.007 0.000 0.256 66 V C 2.589 178.660 176.094 -0.037 0.000 1.080 66 V CA 2.211 64.484 62.300 -0.045 0.000 1.101 66 V CB -1.017 30.770 31.823 -0.059 0.000 0.698 66 V HN 0.945 nan 8.190 nan 0.000 0.477 67 K N 0.788 121.169 120.400 -0.030 0.000 2.001 67 K HA -0.158 4.166 4.320 0.007 0.000 0.208 67 K C 1.949 178.542 176.600 -0.012 0.000 1.048 67 K CA 1.572 57.847 56.287 -0.019 0.000 0.932 67 K CB -0.134 32.360 32.500 -0.010 0.000 0.715 67 K HN 0.498 nan 8.250 nan 0.000 0.437 68 E N -0.332 119.861 120.200 -0.012 0.000 2.515 68 E HA -0.118 4.237 4.350 0.007 0.000 0.201 68 E C 1.191 177.782 176.600 -0.015 0.000 1.071 68 E CA 0.448 56.844 56.400 -0.007 0.000 0.880 68 E CB 0.158 29.855 29.700 -0.005 0.000 0.828 68 E HN 0.398 nan 8.360 nan 0.000 0.540 69 A N 0.309 123.118 122.820 -0.019 0.000 2.169 69 A HA 0.114 4.438 4.320 0.007 0.000 0.210 69 A C 1.669 179.248 177.584 -0.009 0.000 1.168 69 A CA 0.036 52.060 52.037 -0.022 0.000 0.813 69 A CB 0.229 19.209 19.000 -0.033 0.000 0.861 69 A HN 0.140 nan 8.150 nan 0.000 0.481 70 L N -0.226 120.993 121.223 -0.007 0.000 2.700 70 L HA 0.128 4.472 4.340 0.007 0.000 0.234 70 L C 1.682 178.559 176.870 0.012 0.000 1.156 70 L CA 0.030 54.869 54.840 -0.002 0.000 0.946 70 L CB 0.096 42.141 42.059 -0.024 0.000 1.216 70 L HN 0.199 nan 8.230 nan 0.000 0.493 71 S N -0.361 115.353 115.700 0.023 0.000 2.399 71 S HA -0.122 4.352 4.470 0.007 0.000 0.231 71 S C 0.933 175.477 174.600 -0.094 0.000 1.022 71 S CA 1.219 59.399 58.200 -0.034 0.000 0.983 71 S CB -0.188 62.973 63.200 -0.066 0.000 0.803 71 S HN 0.417 nan 8.310 nan 0.000 0.480 72 Y N 1.800 122.060 120.300 -0.066 0.000 2.811 72 Y HA 0.327 4.882 4.550 0.007 0.000 0.330 72 Y C 0.199 176.092 175.900 -0.010 0.000 1.081 72 Y CA -0.349 57.736 58.100 -0.025 0.000 1.408 72 Y CB -0.216 38.223 38.460 -0.035 0.000 1.235 72 Y HN -0.032 nan 8.280 nan 0.000 0.529 73 T N 3.387 117.986 114.554 0.075 0.000 2.812 73 T HA 0.289 4.644 4.350 0.007 0.000 0.282 73 T C -2.769 171.936 174.700 0.007 0.000 0.990 73 T CA -1.732 60.390 62.100 0.038 0.000 0.960 73 T CB 1.897 70.770 68.868 0.009 0.000 0.948 73 T HN -0.074 nan 8.240 nan 0.000 0.438 74 P HA 0.229 nan 4.420 nan 0.000 0.268 74 P C 0.793 178.076 177.300 -0.029 0.000 1.204 74 P CA 0.371 63.467 63.100 -0.007 0.000 0.768 74 P CB 0.550 32.257 31.700 0.012 0.000 0.842 75 G N 1.267 110.043 108.800 -0.039 0.000 2.160 75 G HA2 -0.144 3.820 3.960 0.007 0.000 0.244 75 G HA3 -0.144 3.820 3.960 0.007 0.000 0.244 75 G C -0.278 174.584 174.900 -0.064 0.000 1.022 75 G CA -0.106 44.965 45.100 -0.049 0.000 0.741 75 G HN 0.570 nan 8.290 nan 0.000 0.508 76 V N 0.169 120.050 119.914 -0.055 0.000 2.577 76 V HA 0.623 4.748 4.120 0.007 0.000 0.294 76 V C 0.199 176.269 176.094 -0.040 0.000 1.052 76 V CA -0.176 62.092 62.300 -0.054 0.000 0.891 76 V CB 1.728 33.520 31.823 -0.053 0.000 1.017 76 V HN 0.653 nan 8.190 nan 0.000 0.436 77 S N 3.502 119.183 115.700 -0.033 0.000 2.452 77 S HA 0.392 4.866 4.470 0.007 0.000 0.284 77 S C 0.549 175.159 174.600 0.017 0.000 1.171 77 S CA -0.232 57.962 58.200 -0.010 0.000 1.064 77 S CB 1.304 64.499 63.200 -0.009 0.000 0.967 77 S HN 1.181 nan 8.310 nan 0.000 0.484 78 V N 3.356 123.288 119.914 0.031 0.000 3.110 78 V HA 0.574 4.698 4.120 0.007 0.000 0.368 78 V C 0.896 177.032 176.094 0.070 0.000 1.332 78 V CA 0.433 62.757 62.300 0.040 0.000 1.287 78 V CB -0.107 31.730 31.823 0.024 0.000 1.277 78 V HN 0.829 nan 8.190 nan 0.000 0.502 79 G N 0.213 109.068 108.800 0.093 0.000 3.596 79 G HA2 0.089 4.053 3.960 0.007 0.000 0.274 79 G HA3 0.089 4.053 3.960 0.007 0.000 0.274 79 G C 1.036 175.992 174.900 0.093 0.000 1.007 79 G CA 0.702 45.874 45.100 0.121 0.000 0.825 79 G HN 0.536 nan 8.290 nan 0.000 0.508 80 T N -0.291 114.302 114.554 0.064 0.000 2.760 80 T HA -0.214 4.140 4.350 0.007 0.000 0.269 80 T C 1.991 176.611 174.700 -0.133 0.000 1.047 80 T CA 1.433 63.550 62.100 0.028 0.000 1.139 80 T CB 0.085 68.989 68.868 0.059 0.000 0.855 80 T HN 0.253 nan 8.240 nan 0.000 0.471 81 R N 0.985 121.319 120.500 -0.276 0.000 2.535 81 R HA 0.432 4.777 4.340 0.007 0.000 0.323 81 R C 1.385 177.400 176.300 -0.475 0.000 0.979 81 R CA 0.330 55.955 56.100 -0.793 0.000 1.120 81 R CB -0.230 29.783 30.300 -0.479 0.000 1.306 81 R HN 0.478 nan 8.270 nan 0.000 0.540 82 G N 0.534 109.278 108.800 -0.094 0.000 2.675 82 G HA2 -0.412 3.552 3.960 0.007 0.000 0.312 82 G HA3 -0.412 3.552 3.960 0.007 0.000 0.312 82 G C 0.788 175.708 174.900 0.034 0.000 1.186 82 G CA 0.533 45.664 45.100 0.053 0.000 0.965 82 G HN 0.629 nan 8.290 nan 0.000 0.548 83 A N 0.117 122.982 122.820 0.075 0.000 2.345 83 A HA 0.710 5.034 4.320 0.007 0.000 0.225 83 A C 1.168 178.801 177.584 0.082 0.000 1.243 83 A CA 1.743 53.822 52.037 0.071 0.000 0.875 83 A CB -0.131 18.918 19.000 0.082 0.000 0.929 83 A HN 1.775 nan 8.150 nan 0.000 0.502 84 S N 0.105 115.841 115.700 0.060 0.000 2.585 84 S HA 0.363 4.837 4.470 0.007 0.000 0.277 84 S C 0.304 174.871 174.600 -0.055 0.000 1.241 84 S CA -0.596 57.622 58.200 0.030 0.000 1.041 84 S CB 0.373 63.591 63.200 0.031 0.000 0.987 84 S HN 0.391 nan 8.310 nan 0.000 0.512 85 N N 2.294 120.925 118.700 -0.115 0.000 2.299 85 N HA 0.120 4.864 4.740 0.007 0.000 0.246 85 N C 0.663 176.002 175.510 -0.285 0.000 1.254 85 N CA 0.007 52.969 53.050 -0.147 0.000 0.879 85 N CB 0.586 39.011 38.487 -0.103 0.000 1.214 85 N HN 0.566 nan 8.380 nan 0.000 0.510 86 T N 0.147 114.414 114.554 -0.478 0.000 2.720 86 T HA -0.096 4.259 4.350 0.007 0.000 0.268 86 T C 0.015 174.130 174.700 -0.975 0.000 1.037 86 T CA 1.651 63.200 62.100 -0.917 0.000 1.144 86 T CB -0.034 67.920 68.868 -1.523 0.000 0.864 86 T HN 0.190 nan 8.240 nan 0.000 0.444 87 Y N -0.204 119.922 120.300 -0.291 0.000 2.576 87 Y HA 0.415 4.970 4.550 0.007 0.000 0.346 87 Y C -0.350 175.494 175.900 -0.094 0.000 1.018 87 Y CA -2.116 55.878 58.100 -0.177 0.000 1.050 87 Y CB 1.161 39.535 38.460 -0.145 0.000 1.280 87 Y HN -0.154 nan 8.280 nan 0.000 0.474 88 D N 1.226 121.691 120.400 0.108 0.000 2.639 88 D HA 0.018 4.662 4.640 0.007 0.000 0.233 88 D C -0.671 175.661 176.300 0.053 0.000 1.161 88 D CA 0.102 54.124 54.000 0.038 0.000 1.003 88 D CB -0.145 40.646 40.800 -0.016 0.000 1.034 88 D HN 0.483 nan 8.370 nan 0.000 0.514 89 H N 2.780 121.846 119.070 -0.005 0.000 2.594 89 H HA 0.260 4.820 4.556 0.007 0.000 0.304 89 H C -0.994 174.308 175.328 -0.042 0.000 1.068 89 H CA -0.364 55.664 56.048 -0.034 0.000 1.308 89 H CB 0.790 30.535 29.762 -0.027 0.000 1.409 89 H HN 0.089 nan 8.280 nan 0.000 0.460 90 L N 5.964 127.002 121.223 -0.307 0.000 2.333 90 L HA 0.426 4.770 4.340 0.007 0.000 0.269 90 L C 0.031 176.765 176.870 -0.227 0.000 1.010 90 L CA -0.640 54.096 54.840 -0.173 0.000 0.818 90 L CB 1.782 43.756 42.059 -0.142 0.000 1.306 90 L HN 0.612 nan 8.230 nan 0.000 0.430 91 I N 3.399 123.916 120.570 -0.089 0.000 2.437 91 I HA 0.322 4.496 4.170 0.007 0.000 0.279 91 I C -0.993 175.080 176.117 -0.073 0.000 1.028 91 I CA -0.432 60.824 61.300 -0.072 0.000 1.142 91 I CB 1.230 39.214 38.000 -0.025 0.000 1.266 91 I HN 0.352 nan 8.210 nan 0.000 0.461 92 I N 6.285 126.810 120.570 -0.075 0.000 2.307 92 I HA 0.340 4.514 4.170 0.007 0.000 0.289 92 I C 0.506 176.597 176.117 -0.042 0.000 1.021 92 I CA -0.285 60.968 61.300 -0.079 0.000 1.224 92 I CB 0.576 38.507 38.000 -0.114 0.000 1.376 92 I HN 0.448 nan 8.210 nan 0.000 0.470 93 R N 4.665 125.129 120.500 -0.060 0.000 3.152 93 R HA -0.184 4.161 4.340 0.007 0.000 0.252 93 R C 1.079 177.371 176.300 -0.015 0.000 0.930 93 R CA 0.448 56.532 56.100 -0.026 0.000 0.642 93 R CB -1.940 28.297 30.300 -0.105 0.000 1.205 93 R HN 1.190 nan 8.270 nan 0.000 0.452 94 G N -0.569 108.137 108.800 -0.158 0.000 2.225 94 G HA2 -0.353 3.612 3.960 0.007 0.000 0.272 94 G HA3 -0.353 3.612 3.960 0.007 0.000 0.272 94 G C 0.003 174.532 174.900 -0.617 0.000 0.996 94 G CA 1.113 45.984 45.100 -0.382 0.000 0.710 94 G HN 0.449 nan 8.290 nan 0.000 0.522 95 F N -0.173 119.705 119.950 -0.120 0.000 2.563 95 F HA 0.779 5.310 4.527 0.007 0.000 0.316 95 F C 0.370 176.091 175.800 -0.132 0.000 1.076 95 F CA -0.224 57.701 58.000 -0.126 0.000 0.921 95 F CB 2.293 41.208 39.000 -0.142 0.000 1.209 95 F HN 0.325 nan 8.300 nan 0.000 0.462 96 A N 0.859 123.734 122.820 0.092 0.000 2.564 96 A HA 0.907 5.231 4.320 0.007 0.000 0.288 96 A C -0.725 176.844 177.584 -0.025 0.000 1.164 96 A CA -0.332 51.681 52.037 -0.039 0.000 0.712 96 A CB 0.751 19.724 19.000 -0.044 0.000 1.303 96 A HN 1.009 nan 8.150 nan 0.000 0.418 97 A N -0.179 122.588 122.820 -0.088 0.000 2.262 97 A HA 0.561 4.886 4.320 0.007 0.000 0.275 97 A C 0.069 177.645 177.584 -0.013 0.000 1.402 97 A CA 0.091 52.088 52.037 -0.066 0.000 0.817 97 A CB -0.066 18.876 19.000 -0.096 0.000 1.271 97 A HN 0.722 nan 8.150 nan 0.000 0.520 98 E N -1.351 118.844 120.200 -0.008 0.000 2.199 98 E HA 0.467 4.822 4.350 0.007 0.000 0.269 98 E C -0.148 176.461 176.600 0.015 0.000 0.899 98 E CA 0.093 56.505 56.400 0.020 0.000 0.772 98 E CB 1.520 31.241 29.700 0.036 0.000 1.155 98 E HN 1.582 nan 8.360 nan 0.000 0.408 99 G N 2.724 111.532 108.800 0.013 0.000 2.303 99 G HA2 -0.302 3.663 3.960 0.007 0.000 0.260 99 G HA3 -0.302 3.663 3.960 0.007 0.000 0.260 99 G C 0.425 175.281 174.900 -0.073 0.000 1.106 99 G CA 0.443 45.535 45.100 -0.014 0.000 0.900 99 G HN 0.563 nan 8.290 nan 0.000 0.495 100 Q N -1.275 118.488 119.800 -0.062 0.000 2.405 100 Q HA -0.213 4.132 4.340 0.007 0.000 0.265 100 Q C 0.892 176.869 176.000 -0.038 0.000 1.096 100 Q CA 1.771 57.521 55.803 -0.089 0.000 0.982 100 Q CB -1.356 27.234 28.738 -0.247 0.000 1.426 100 Q HN 1.619 nan 8.270 nan 0.000 0.527 101 S N -0.855 114.833 115.700 -0.020 0.000 2.652 101 S HA 0.579 5.053 4.470 0.007 0.000 0.270 101 S C -0.185 174.368 174.600 -0.078 0.000 1.243 101 S CA -0.153 57.997 58.200 -0.084 0.000 0.999 101 S CB 0.740 63.893 63.200 -0.078 0.000 0.973 101 S HN 0.413 nan 8.310 nan 0.000 0.544 102 Q N 1.295 121.010 119.800 -0.141 0.000 2.351 102 Q HA 0.509 4.853 4.340 0.007 0.000 0.273 102 Q C -1.380 174.515 176.000 -0.174 0.000 1.077 102 Q CA -1.029 54.655 55.803 -0.198 0.000 0.843 102 Q CB 0.817 29.458 28.738 -0.161 0.000 1.367 102 Q HN 0.523 nan 8.270 nan 0.000 0.449 103 N N 1.161 119.758 118.700 -0.172 0.000 2.898 103 N HA 0.299 5.043 4.740 0.007 0.000 0.245 103 N C -1.877 173.604 175.510 -0.048 0.000 1.185 103 N CA -0.250 52.737 53.050 -0.104 0.000 0.879 103 N CB 0.340 38.770 38.487 -0.095 0.000 1.157 103 N HN 0.490 nan 8.380 nan 0.000 0.503 104 N N 1.183 119.823 118.700 -0.099 0.000 2.238 104 N HA 0.425 5.169 4.740 0.007 0.000 0.302 104 N C -1.519 173.909 175.510 -0.137 0.000 1.072 104 N CA -0.361 52.658 53.050 -0.051 0.000 0.792 104 N CB 0.998 39.420 38.487 -0.109 0.000 1.425 104 N HN 0.183 nan 8.380 nan 0.000 0.478 105 Y N 0.288 120.465 120.300 -0.205 0.000 2.524 105 Y HA 0.665 5.220 4.550 0.007 0.000 0.344 105 Y C -0.722 175.076 175.900 -0.169 0.000 1.012 105 Y CA -1.107 56.878 58.100 -0.191 0.000 1.068 105 Y CB 1.577 39.898 38.460 -0.232 0.000 1.249 105 Y HN 0.352 nan 8.280 nan 0.000 0.468 106 L N 2.685 123.887 121.223 -0.035 0.000 2.406 106 L HA 0.508 4.852 4.340 0.007 0.000 0.272 106 L C -0.673 176.168 176.870 -0.048 0.000 0.980 106 L CA -0.744 54.047 54.840 -0.082 0.000 0.831 106 L CB 1.141 43.097 42.059 -0.171 0.000 1.253 106 L HN 0.779 nan 8.230 nan 0.000 0.406 107 N N 3.977 122.667 118.700 -0.016 0.000 2.735 107 N HA -0.154 4.590 4.740 0.007 0.000 0.248 107 N C 0.866 176.415 175.510 0.064 0.000 1.083 107 N CA 1.259 54.320 53.050 0.020 0.000 0.703 107 N CB -1.195 37.264 38.487 -0.047 0.000 1.005 107 N HN 1.371 nan 8.380 nan 0.000 0.550 108 G N -2.020 106.852 108.800 0.120 0.000 2.176 108 G HA2 -0.294 3.670 3.960 0.007 0.000 0.253 108 G HA3 -0.294 3.670 3.960 0.007 0.000 0.253 108 G C -0.117 174.919 174.900 0.226 0.000 0.979 108 G CA 0.436 45.654 45.100 0.196 0.000 0.641 108 G HN 0.389 nan 8.290 nan 0.000 0.530 109 L N -0.001 121.308 121.223 0.144 0.000 2.386 109 L HA 0.585 4.929 4.340 0.007 0.000 0.271 109 L C 0.410 177.232 176.870 -0.080 0.000 0.993 109 L CA -1.313 53.570 54.840 0.071 0.000 0.819 109 L CB 1.954 43.964 42.059 -0.081 0.000 1.294 109 L HN 0.157 nan 8.230 nan 0.000 0.414 110 K N 2.489 122.667 120.400 -0.371 0.000 2.382 110 K HA 0.234 4.558 4.320 0.007 0.000 0.275 110 K C -0.612 175.641 176.600 -0.578 0.000 1.009 110 K CA 0.223 55.836 56.287 -1.124 0.000 0.970 110 K CB 0.523 32.314 32.500 -1.181 0.000 0.934 110 K HN 0.565 nan 8.250 nan 0.000 0.479 111 L N 4.845 125.746 121.223 -0.538 0.000 2.657 111 L HA 0.163 4.508 4.340 0.007 0.000 0.239 111 L C 0.034 176.727 176.870 -0.295 0.000 1.215 111 L CA -0.723 53.919 54.840 -0.330 0.000 1.161 111 L CB 0.512 42.416 42.059 -0.259 0.000 1.436 111 L HN 0.657 nan 8.230 nan 0.000 0.414 112 Q N 1.496 121.120 119.800 -0.293 0.000 2.308 112 Q HA 0.076 4.420 4.340 0.007 0.000 0.313 112 Q C 0.425 176.335 176.000 -0.149 0.000 1.075 112 Q CA 0.480 56.150 55.803 -0.221 0.000 0.995 112 Q CB 1.439 30.065 28.738 -0.187 0.000 1.107 112 Q HN 0.612 nan 8.270 nan 0.000 0.380 113 G N 2.335 111.062 108.800 -0.123 0.000 3.107 113 G HA2 0.566 4.531 3.960 0.007 0.000 0.232 113 G HA3 0.566 4.531 3.960 0.007 0.000 0.232 113 G C -0.688 174.193 174.900 -0.033 0.000 1.339 113 G CA -0.362 44.694 45.100 -0.074 0.000 1.033 113 G HN 0.641 nan 8.290 nan 0.000 0.567 114 N N -1.782 116.922 118.700 0.007 0.000 3.134 114 N HA 0.143 4.887 4.740 0.007 0.000 0.235 114 N C -0.167 175.452 175.510 0.182 0.000 1.092 114 N CA -0.350 52.744 53.050 0.072 0.000 1.038 114 N CB 1.277 39.815 38.487 0.084 0.000 1.684 114 N HN 0.543 nan 8.380 nan 0.000 0.551 115 F N 2.761 122.671 119.950 -0.066 0.000 2.338 115 F HA -0.431 4.100 4.527 0.007 0.000 0.262 115 F C 0.477 176.149 175.800 -0.214 0.000 1.441 115 F CA 2.268 60.199 58.000 -0.115 0.000 2.000 115 F CB -1.036 37.984 39.000 0.034 0.000 0.547 115 F HN 0.711 nan 8.300 nan 0.000 0.206 116 Y N -0.175 120.128 120.300 0.005 0.000 2.481 116 Y HA 0.268 4.822 4.550 0.007 0.000 0.258 116 Y C 1.135 177.090 175.900 0.093 0.000 1.103 116 Y CA 0.719 58.794 58.100 -0.041 0.000 1.287 116 Y CB -0.198 38.266 38.460 0.007 0.000 1.108 116 Y HN 0.211 nan 8.280 nan 0.000 0.529 117 N N 2.077 120.936 118.700 0.266 0.000 2.508 117 N HA -0.004 4.740 4.740 0.007 0.000 0.253 117 N C -1.467 174.103 175.510 0.101 0.000 1.145 117 N CA 0.528 53.699 53.050 0.202 0.000 0.973 117 N CB -0.187 38.406 38.487 0.177 0.000 1.305 117 N HN 0.134 nan 8.380 nan 0.000 0.506 118 D N 0.863 121.342 120.400 0.131 0.000 2.787 118 D HA 0.459 5.103 4.640 0.007 0.000 0.246 118 D C -0.864 175.512 176.300 0.126 0.000 1.150 118 D CA -0.367 53.664 54.000 0.052 0.000 0.864 118 D CB 2.127 42.863 40.800 -0.106 0.000 1.481 118 D HN 0.421 nan 8.370 nan 0.000 0.509 119 A N 1.468 124.307 122.820 0.031 0.000 2.294 119 A HA 0.780 5.104 4.320 0.007 0.000 0.330 119 A C -0.282 177.291 177.584 -0.019 0.000 1.133 119 A CA -0.524 51.520 52.037 0.012 0.000 0.836 119 A CB 1.086 20.069 19.000 -0.029 0.000 1.190 119 A HN 0.404 nan 8.150 nan 0.000 0.492 120 V N -0.933 118.964 119.914 -0.029 0.000 2.962 120 V HA 0.744 4.869 4.120 0.007 0.000 0.313 120 V C -0.954 175.081 176.094 -0.098 0.000 1.099 120 V CA -0.937 61.326 62.300 -0.062 0.000 0.971 120 V CB 1.737 33.532 31.823 -0.047 0.000 1.028 120 V HN 0.644 nan 8.190 nan 0.000 0.430 121 I N 2.663 123.134 120.570 -0.165 0.000 2.404 121 I HA 0.447 4.621 4.170 0.007 0.000 0.293 121 I C 0.129 176.194 176.117 -0.086 0.000 0.992 121 I CA -0.012 61.128 61.300 -0.267 0.000 1.149 121 I CB 1.484 39.231 38.000 -0.422 0.000 1.315 121 I HN 0.920 nan 8.210 nan 0.000 0.446 122 D N 8.421 128.854 120.400 0.055 0.000 2.372 122 D HA 0.116 4.760 4.640 0.007 0.000 0.243 122 D C -1.618 174.702 176.300 0.034 0.000 1.121 122 D CA -1.251 52.786 54.000 0.062 0.000 0.898 122 D CB 2.257 43.129 40.800 0.119 0.000 1.202 122 D HN 0.257 nan 8.370 nan 0.000 0.428 123 P HA -0.163 nan 4.420 nan 0.000 0.221 123 P C 1.389 178.697 177.300 0.013 0.000 1.150 123 P CA 0.730 63.826 63.100 -0.006 0.000 0.800 123 P CB -0.079 31.611 31.700 -0.017 0.000 0.787 124 Y N 1.049 121.311 120.300 -0.064 0.000 2.384 124 Y HA -0.117 4.438 4.550 0.008 0.000 0.289 124 Y C 2.121 177.974 175.900 -0.079 0.000 1.152 124 Y CA 1.451 59.502 58.100 -0.082 0.000 1.258 124 Y CB -0.485 37.920 38.460 -0.091 0.000 0.979 124 Y HN -0.172 nan 8.280 nan 0.000 0.549 125 M N -0.385 119.220 119.600 0.009 0.000 2.509 125 M HA 0.144 4.629 4.480 0.007 0.000 0.250 125 M C 0.075 176.320 176.300 -0.091 0.000 1.132 125 M CA 0.413 55.697 55.300 -0.026 0.000 1.080 125 M CB -0.418 32.279 32.600 0.161 0.000 1.408 125 M HN 0.000 nan 8.290 nan 0.000 0.484 126 L N 0.697 121.858 121.223 -0.103 0.000 2.375 126 L HA 0.147 4.491 4.340 0.007 0.000 0.271 126 L C 1.515 178.312 176.870 -0.121 0.000 1.107 126 L CA -0.231 54.546 54.840 -0.106 0.000 0.806 126 L CB 1.006 43.008 42.059 -0.094 0.000 1.146 126 L HN 0.030 nan 8.230 nan 0.000 0.447 127 E N 2.032 122.175 120.200 -0.094 0.000 2.251 127 E HA 0.055 4.410 4.350 0.007 0.000 0.194 127 E C -0.131 176.422 176.600 -0.078 0.000 0.964 127 E CA 0.433 56.782 56.400 -0.085 0.000 0.868 127 E CB 0.570 30.239 29.700 -0.050 0.000 0.828 127 E HN 0.564 nan 8.360 nan 0.000 0.481 128 R N -1.126 119.331 120.500 -0.072 0.000 2.644 128 R HA 0.662 5.006 4.340 0.007 0.000 0.257 128 R C -1.709 174.546 176.300 -0.076 0.000 1.082 128 R CA -0.426 55.629 56.100 -0.075 0.000 0.927 128 R CB 0.666 30.921 30.300 -0.074 0.000 1.258 128 R HN -0.010 nan 8.270 nan 0.000 0.459 129 A N 2.791 125.564 122.820 -0.079 0.000 2.277 129 A HA 0.431 4.755 4.320 0.007 0.000 0.318 129 A C -0.596 176.936 177.584 -0.087 0.000 1.339 129 A CA -0.672 51.316 52.037 -0.081 0.000 0.875 129 A CB 0.734 19.689 19.000 -0.075 0.000 1.158 129 A HN 0.740 nan 8.150 nan 0.000 0.514 130 E N 1.853 121.994 120.200 -0.098 0.000 2.214 130 E HA 0.522 4.876 4.350 0.007 0.000 0.274 130 E C -0.903 175.620 176.600 -0.128 0.000 0.977 130 E CA -0.664 55.668 56.400 -0.113 0.000 0.827 130 E CB 1.870 31.494 29.700 -0.126 0.000 1.130 130 E HN 0.471 nan 8.360 nan 0.000 0.394 131 I N 2.694 123.187 120.570 -0.128 0.000 2.465 131 I HA 0.285 4.459 4.170 0.007 0.000 0.291 131 I C -0.560 175.460 176.117 -0.161 0.000 1.014 131 I CA -0.518 60.696 61.300 -0.143 0.000 1.093 131 I CB 1.696 39.629 38.000 -0.113 0.000 1.267 131 I HN 0.583 nan 8.210 nan 0.000 0.431 132 M N 7.365 126.843 119.600 -0.203 0.000 2.018 132 M HA 0.428 4.912 4.480 0.007 0.000 0.311 132 M C -0.919 175.251 176.300 -0.216 0.000 0.928 132 M CA -0.525 54.649 55.300 -0.210 0.000 0.911 132 M CB 0.817 33.264 32.600 -0.256 0.000 1.447 132 M HN 0.471 nan 8.290 nan 0.000 0.407 133 R N 3.077 123.462 120.500 -0.191 0.000 2.441 133 R HA 0.788 5.132 4.340 0.007 0.000 0.284 133 R C 0.268 176.424 176.300 -0.241 0.000 1.070 133 R CA 0.130 56.100 56.100 -0.216 0.000 1.047 133 R CB 1.057 31.229 30.300 -0.213 0.000 1.016 133 R HN 0.964 nan 8.270 nan 0.000 0.477 134 G N 2.683 111.318 108.800 -0.274 0.000 2.555 134 G HA2 -0.142 3.822 3.960 0.007 0.000 0.686 134 G HA3 -0.142 3.822 3.960 0.007 0.000 0.686 134 G C -2.964 171.768 174.900 -0.280 0.000 1.275 134 G CA -1.349 43.580 45.100 -0.284 0.000 0.871 134 G HN 0.342 nan 8.290 nan 0.000 0.603 135 P HA 0.334 nan 4.420 nan 0.000 0.267 135 P C 0.951 178.091 177.300 -0.268 0.000 1.200 135 P CA 0.847 63.763 63.100 -0.307 0.000 0.772 135 P CB 0.943 32.428 31.700 -0.359 0.000 0.855 136 V N -1.668 118.104 119.914 -0.237 0.000 3.432 136 V HA 0.089 4.213 4.120 0.007 0.000 0.290 136 V C 1.320 177.341 176.094 -0.121 0.000 1.591 136 V CA 0.236 62.442 62.300 -0.157 0.000 1.069 136 V CB -0.324 31.421 31.823 -0.130 0.000 0.892 136 V HN 0.281 nan 8.190 nan 0.000 0.436 137 S N 1.151 116.745 115.700 -0.178 0.000 2.462 137 S HA -0.182 4.293 4.470 0.007 0.000 0.243 137 S C 1.875 176.384 174.600 -0.152 0.000 1.003 137 S CA 1.802 59.911 58.200 -0.152 0.000 0.970 137 S CB -0.038 63.101 63.200 -0.102 0.000 0.762 137 S HN 0.708 nan 8.310 nan 0.000 0.510 138 V N 0.417 120.212 119.914 -0.197 0.000 2.720 138 V HA -0.027 4.097 4.120 0.007 0.000 0.256 138 V C 1.316 177.235 176.094 -0.291 0.000 1.082 138 V CA 1.669 63.840 62.300 -0.215 0.000 1.101 138 V CB -0.155 31.543 31.823 -0.208 0.000 0.693 138 V HN 0.544 nan 8.190 nan 0.000 0.479 139 L N -2.596 118.398 121.223 -0.383 0.000 2.854 139 L HA 0.231 4.575 4.340 0.007 0.000 0.249 139 L C 1.455 177.752 176.870 -0.955 0.000 1.091 139 L CA 0.268 54.646 54.840 -0.770 0.000 0.935 139 L CB 0.361 41.902 42.059 -0.863 0.000 1.367 139 L HN 0.298 nan 8.230 nan 0.000 0.524 140 Y N -0.158 119.964 120.300 -0.296 0.000 2.481 140 Y HA 0.511 5.066 4.550 0.007 0.000 0.247 140 Y C 1.336 177.168 175.900 -0.113 0.000 1.151 140 Y CA 0.235 58.211 58.100 -0.207 0.000 1.238 140 Y CB 0.642 38.916 38.460 -0.310 0.000 1.179 140 Y HN 0.133 nan 8.280 nan 0.000 0.524 141 G N 1.369 110.144 108.800 -0.043 0.000 2.508 141 G HA2 -0.249 3.715 3.960 0.007 0.000 0.220 141 G HA3 -0.249 3.715 3.960 0.007 0.000 0.220 141 G C -0.621 174.101 174.900 -0.298 0.000 1.287 141 G CA -0.639 44.431 45.100 -0.050 0.000 0.916 141 G HN 0.355 nan 8.290 nan 0.000 0.574 142 K N -0.514 119.589 120.400 -0.495 0.000 2.485 142 K HA 0.503 4.827 4.320 0.007 0.000 0.277 142 K C 0.329 176.655 176.600 -0.457 0.000 0.990 142 K CA 0.770 56.516 56.287 -0.903 0.000 0.994 142 K CB 0.806 32.939 32.500 -0.611 0.000 0.906 142 K HN 2.158 nan 8.250 nan 0.000 0.488 143 S N 0.547 115.966 115.700 -0.468 0.000 2.686 143 S HA 0.150 4.625 4.470 0.007 0.000 0.273 143 S C -0.862 173.582 174.600 -0.260 0.000 1.060 143 S CA -0.835 57.206 58.200 -0.265 0.000 0.845 143 S CB 0.635 63.720 63.200 -0.192 0.000 1.086 143 S HN 0.851 nan 8.310 nan 0.000 0.461 144 S N 2.346 117.926 115.700 -0.199 0.000 2.560 144 S HA 0.441 4.915 4.470 0.007 0.000 0.284 144 S C -2.220 172.220 174.600 -0.267 0.000 1.327 144 S CA -0.711 57.371 58.200 -0.198 0.000 1.055 144 S CB -0.094 63.025 63.200 -0.135 0.000 0.868 144 S HN 0.647 nan 8.310 nan 0.000 0.506 145 P HA 0.210 nan 4.420 nan 0.000 0.271 145 P C 0.311 177.361 177.300 -0.417 0.000 1.216 145 P CA 0.560 63.401 63.100 -0.431 0.000 0.771 145 P CB 0.096 31.445 31.700 -0.585 0.000 0.864 146 G N 1.527 110.122 108.800 -0.341 0.000 2.330 146 G HA2 0.185 4.149 3.960 0.007 0.000 0.239 146 G HA3 0.185 4.149 3.960 0.007 0.000 0.239 146 G C 0.219 174.992 174.900 -0.211 0.000 0.818 146 G CA -0.061 44.870 45.100 -0.282 0.000 1.189 146 G HN 1.001 nan 8.290 nan 0.000 0.337 147 G N -0.384 108.282 108.800 -0.223 0.000 2.277 147 G HA2 0.652 4.616 3.960 0.007 0.000 0.272 147 G HA3 0.652 4.616 3.960 0.007 0.000 0.272 147 G C -0.954 173.809 174.900 -0.229 0.000 1.692 147 G CA -0.244 44.739 45.100 -0.195 0.000 0.926 147 G HN 2.097 nan 8.290 nan 0.000 0.720 148 L N 1.860 122.942 121.223 -0.234 0.000 3.882 148 L HA 0.570 4.914 4.340 0.007 0.000 0.266 148 L C -2.092 174.620 176.870 -0.262 0.000 1.003 148 L CA -0.975 53.695 54.840 -0.284 0.000 1.166 148 L CB 1.210 42.972 42.059 -0.495 0.000 1.952 148 L HN 1.046 nan 8.230 nan 0.000 0.567 149 L N 5.220 126.342 121.223 -0.168 0.000 2.287 149 L HA 0.578 4.923 4.340 0.007 0.000 0.287 149 L C -0.895 175.908 176.870 -0.112 0.000 1.022 149 L CA 0.321 55.078 54.840 -0.139 0.000 0.814 149 L CB 1.383 43.381 42.059 -0.101 0.000 1.217 149 L HN 0.706 nan 8.230 nan 0.000 0.420 150 N N 6.396 125.004 118.700 -0.154 0.000 2.354 150 N HA 0.595 5.339 4.740 0.007 0.000 0.287 150 N C -1.341 174.117 175.510 -0.087 0.000 1.016 150 N CA -0.616 52.367 53.050 -0.112 0.000 0.871 150 N CB 1.285 39.665 38.487 -0.178 0.000 1.299 150 N HN 0.743 nan 8.380 nan 0.000 0.482 151 M N 1.821 121.381 119.600 -0.067 0.000 2.321 151 M HA 0.463 4.947 4.480 0.007 0.000 0.315 151 M C -1.010 175.258 176.300 -0.053 0.000 1.052 151 M CA -1.004 54.252 55.300 -0.073 0.000 0.936 151 M CB 1.742 34.284 32.600 -0.097 0.000 1.639 151 M HN -0.082 nan 8.290 nan 0.000 0.433 152 V N 1.810 121.705 119.914 -0.033 0.000 2.567 152 V HA 0.400 4.525 4.120 0.007 0.000 0.289 152 V C 0.460 176.534 176.094 -0.032 0.000 1.049 152 V CA -0.502 61.803 62.300 0.009 0.000 0.969 152 V CB 1.444 33.307 31.823 0.067 0.000 0.995 152 V HN 1.006 nan 8.190 nan 0.000 0.471 153 S N 2.782 118.458 115.700 -0.040 0.000 2.617 153 S HA 0.344 4.818 4.470 0.007 0.000 0.269 153 S C 0.116 174.690 174.600 -0.043 0.000 1.292 153 S CA -0.768 57.395 58.200 -0.062 0.000 1.010 153 S CB 0.637 63.791 63.200 -0.076 0.000 0.944 153 S HN 0.654 nan 8.310 nan 0.000 0.536 154 K N 1.540 121.902 120.400 -0.063 0.000 2.414 154 K HA 0.208 4.532 4.320 0.007 0.000 0.272 154 K C 0.207 176.783 176.600 -0.039 0.000 0.993 154 K CA 0.320 56.566 56.287 -0.068 0.000 0.964 154 K CB 0.402 32.831 32.500 -0.118 0.000 0.925 154 K HN 0.467 nan 8.250 nan 0.000 0.487 155 R N 1.964 122.451 120.500 -0.023 0.000 2.912 155 R HA 0.387 4.732 4.340 0.007 0.000 0.262 155 R C -2.514 173.787 176.300 0.001 0.000 1.057 155 R CA -2.210 53.889 56.100 -0.001 0.000 0.981 155 R CB 1.011 31.321 30.300 0.017 0.000 1.201 155 R HN 0.397 nan 8.270 nan 0.000 0.484 156 P HA 0.006 nan 4.420 nan 0.000 0.271 156 P C -0.641 176.682 177.300 0.038 0.000 1.238 156 P CA 0.143 63.261 63.100 0.029 0.000 0.794 156 P CB 0.552 32.288 31.700 0.060 0.000 0.959 157 T N -3.931 110.653 114.554 0.050 0.000 2.903 157 T HA 0.336 4.691 4.350 0.007 0.000 0.299 157 T C 0.902 175.645 174.700 0.072 0.000 1.093 157 T CA -0.572 61.559 62.100 0.052 0.000 1.002 157 T CB 0.865 69.755 68.868 0.037 0.000 1.127 157 T HN 0.166 nan 8.240 nan 0.000 0.488 158 T N 1.326 115.919 114.554 0.065 0.000 2.622 158 T HA -0.060 4.294 4.350 0.007 0.000 0.266 158 T C 0.828 175.572 174.700 0.073 0.000 1.047 158 T CA 1.741 63.883 62.100 0.069 0.000 1.159 158 T CB -0.571 68.330 68.868 0.056 0.000 0.863 158 T HN 0.904 nan 8.240 nan 0.000 0.422 159 E N 2.738 122.976 120.200 0.064 0.000 2.390 159 E HA 0.220 4.574 4.350 0.007 0.000 0.261 159 E C -2.817 173.834 176.600 0.085 0.000 1.076 159 E CA -2.029 54.412 56.400 0.067 0.000 0.905 159 E CB -0.036 29.697 29.700 0.056 0.000 0.984 159 E HN 0.120 nan 8.360 nan 0.000 0.427 160 P HA 0.021 nan 4.420 nan 0.000 0.269 160 P C -1.073 176.303 177.300 0.126 0.000 1.217 160 P CA -0.141 63.032 63.100 0.122 0.000 0.783 160 P CB 0.328 32.095 31.700 0.111 0.000 0.898 161 L N 1.554 122.876 121.223 0.165 0.000 2.661 161 L HA 0.376 4.721 4.340 0.007 0.000 0.263 161 L C -1.442 175.612 176.870 0.306 0.000 0.956 161 L CA -0.128 54.815 54.840 0.172 0.000 0.918 161 L CB 1.251 43.374 42.059 0.107 0.000 1.280 161 L HN 0.206 nan 8.230 nan 0.000 0.416 162 K N 4.748 125.356 120.400 0.346 0.000 2.621 162 K HA 0.510 4.834 4.320 0.007 0.000 0.233 162 K C -1.251 175.588 176.600 0.397 0.000 0.972 162 K CA -0.470 56.185 56.287 0.615 0.000 0.988 162 K CB 2.063 34.844 32.500 0.469 0.000 1.187 162 K HN 0.594 nan 8.250 nan 0.000 0.471 163 E N 2.778 123.097 120.200 0.198 0.000 2.263 163 E HA 0.323 4.677 4.350 0.007 0.000 0.268 163 E C -1.208 175.270 176.600 -0.203 0.000 0.884 163 E CA -0.908 55.455 56.400 -0.063 0.000 0.766 163 E CB 1.836 31.499 29.700 -0.062 0.000 1.196 163 E HN 0.339 nan 8.360 nan 0.000 0.416 164 V N 1.197 120.956 119.914 -0.258 0.000 2.628 164 V HA 0.635 4.759 4.120 0.007 0.000 0.306 164 V C -0.759 175.062 176.094 -0.455 0.000 1.045 164 V CA -0.722 61.392 62.300 -0.310 0.000 0.905 164 V CB 1.606 33.262 31.823 -0.278 0.000 0.997 164 V HN 0.810 nan 8.190 nan 0.000 0.436 165 Q N 2.489 121.963 119.800 -0.544 0.000 2.356 165 Q HA 0.658 5.002 4.340 0.007 0.000 0.270 165 Q C -2.239 173.407 176.000 -0.590 0.000 1.058 165 Q CA -0.647 54.857 55.803 -0.499 0.000 0.802 165 Q CB 2.335 30.927 28.738 -0.244 0.000 1.303 165 Q HN 0.793 nan 8.270 nan 0.000 0.444 166 F N 2.201 122.179 119.950 0.047 0.000 2.493 166 F HA 0.516 5.048 4.527 0.007 0.000 0.329 166 F C -0.381 175.446 175.800 0.046 0.000 1.126 166 F CA -0.713 57.330 58.000 0.071 0.000 0.937 166 F CB 1.714 40.795 39.000 0.136 0.000 1.146 166 F HN 0.268 nan 8.300 nan 0.000 0.442 167 K N 2.569 123.095 120.400 0.210 0.000 2.426 167 K HA 0.876 5.200 4.320 0.007 0.000 0.254 167 K C -1.131 175.526 176.600 0.095 0.000 0.936 167 K CA -0.901 55.456 56.287 0.117 0.000 0.801 167 K CB 2.528 35.052 32.500 0.040 0.000 1.139 167 K HN 0.660 nan 8.250 nan 0.000 0.424 168 A N 1.958 124.800 122.820 0.037 0.000 2.374 168 A HA 0.865 5.189 4.320 0.007 0.000 0.305 168 A C -0.497 177.015 177.584 -0.120 0.000 1.053 168 A CA -0.548 51.427 52.037 -0.103 0.000 0.726 168 A CB 1.674 20.639 19.000 -0.058 0.000 1.229 168 A HN 0.796 nan 8.150 nan 0.000 0.431 169 G N -0.051 108.625 108.800 -0.208 0.000 2.827 169 G HA2 0.700 4.664 3.960 0.007 0.000 0.296 169 G HA3 0.700 4.664 3.960 0.007 0.000 0.296 169 G C 0.055 174.861 174.900 -0.157 0.000 1.362 169 G CA 0.233 45.255 45.100 -0.129 0.000 0.809 169 G HN 1.289 nan 8.290 nan 0.000 0.522 170 T N -1.716 112.783 114.554 -0.093 0.000 2.680 170 T HA 0.218 4.572 4.350 0.007 0.000 0.314 170 T C 0.249 174.896 174.700 -0.089 0.000 1.045 170 T CA 0.925 62.977 62.100 -0.081 0.000 1.025 170 T CB 0.255 69.095 68.868 -0.047 0.000 1.000 170 T HN 0.656 nan 8.240 nan 0.000 0.535 171 D N -0.205 120.154 120.400 -0.067 0.000 2.701 171 D HA -0.179 4.465 4.640 0.007 0.000 0.235 171 D C 0.178 176.439 176.300 -0.065 0.000 1.155 171 D CA 1.214 55.182 54.000 -0.055 0.000 0.649 171 D CB -1.810 38.965 40.800 -0.043 0.000 1.050 171 D HN 0.819 nan 8.370 nan 0.000 0.425 172 S N -1.512 114.127 115.700 -0.101 0.000 3.524 172 S HA -0.242 4.233 4.470 0.007 0.000 0.377 172 S C 0.163 174.654 174.600 -0.181 0.000 0.949 172 S CA 0.492 58.612 58.200 -0.134 0.000 1.264 172 S CB -0.785 62.431 63.200 0.026 0.000 0.918 172 S HN 0.515 nan 8.310 nan 0.000 0.517 173 L N 1.521 122.559 121.223 -0.308 0.000 2.292 173 L HA 0.829 5.173 4.340 0.007 0.000 0.284 173 L C -0.727 175.886 176.870 -0.429 0.000 1.065 173 L CA 0.116 54.820 54.840 -0.227 0.000 0.806 173 L CB 0.466 42.438 42.059 -0.145 0.000 1.175 173 L HN 0.138 nan 8.230 nan 0.000 0.431 174 F N 4.089 124.047 119.950 0.014 0.000 2.612 174 F HA 0.507 5.038 4.527 0.007 0.000 0.332 174 F C -0.116 175.702 175.800 0.030 0.000 1.167 174 F CA -0.360 57.660 58.000 0.033 0.000 0.970 174 F CB 1.630 40.653 39.000 0.038 0.000 1.234 174 F HN 0.525 nan 8.300 nan 0.000 0.453 175 Q N 1.518 121.445 119.800 0.212 0.000 2.413 175 Q HA 0.796 5.140 4.340 0.007 0.000 0.276 175 Q C -1.443 174.650 176.000 0.156 0.000 1.099 175 Q CA -0.674 55.199 55.803 0.117 0.000 0.814 175 Q CB 2.582 31.322 28.738 0.003 0.000 1.379 175 Q HN 0.646 nan 8.270 nan 0.000 0.436 176 T N 1.521 116.133 114.554 0.096 0.000 3.143 176 T HA 0.618 4.972 4.350 0.007 0.000 0.312 176 T C -0.879 173.809 174.700 -0.019 0.000 0.986 176 T CA -0.583 61.590 62.100 0.121 0.000 1.024 176 T CB 1.288 70.306 68.868 0.250 0.000 1.030 176 T HN 0.704 nan 8.240 nan 0.000 0.448 177 G N 1.958 110.645 108.800 -0.188 0.000 2.658 177 G HA2 0.877 4.842 3.960 0.007 0.000 0.292 177 G HA3 0.877 4.842 3.960 0.007 0.000 0.292 177 G C -1.626 173.213 174.900 -0.103 0.000 1.320 177 G CA -0.962 43.971 45.100 -0.279 0.000 0.933 177 G HN 0.681 nan 8.290 nan 0.000 0.476 178 F N -0.705 119.116 119.950 -0.215 0.000 2.615 178 F HA 0.731 5.262 4.527 0.007 0.000 0.312 178 F C -2.036 173.577 175.800 -0.313 0.000 1.119 178 F CA -1.597 56.186 58.000 -0.362 0.000 0.979 178 F CB 2.466 41.147 39.000 -0.532 0.000 1.266 178 F HN 0.383 nan 8.300 nan 0.000 0.444 179 D N 3.521 123.647 120.400 -0.457 0.000 2.421 179 D HA 0.469 5.113 4.640 0.007 0.000 0.254 179 D C -1.812 174.307 176.300 -0.301 0.000 1.238 179 D CA -0.109 53.653 54.000 -0.397 0.000 0.919 179 D CB 0.864 41.482 40.800 -0.303 0.000 1.152 179 D HN 0.360 nan 8.370 nan 0.000 0.552 180 F N 1.426 121.392 119.950 0.026 0.000 2.495 180 F HA 0.657 5.188 4.527 0.007 0.000 0.327 180 F C 0.501 176.186 175.800 -0.192 0.000 1.103 180 F CA -0.956 57.053 58.000 0.014 0.000 0.949 180 F CB 2.209 41.279 39.000 0.117 0.000 1.142 180 F HN 0.091 nan 8.300 nan 0.000 0.457 181 S N 1.716 117.455 115.700 0.065 0.000 2.537 181 S HA 0.684 5.158 4.470 0.007 0.000 0.270 181 S C -1.939 172.770 174.600 0.181 0.000 1.142 181 S CA -0.332 57.818 58.200 -0.084 0.000 0.870 181 S CB 1.782 64.963 63.200 -0.032 0.000 1.112 181 S HN 0.755 nan 8.310 nan 0.000 0.466 182 D N 0.321 120.968 120.400 0.412 0.000 2.738 182 D HA 0.453 5.097 4.640 0.007 0.000 0.308 182 D C -1.612 174.857 176.300 0.281 0.000 1.311 182 D CA -0.174 54.056 54.000 0.384 0.000 0.799 182 D CB 1.601 42.643 40.800 0.403 0.000 1.332 182 D HN 0.388 nan 8.370 nan 0.000 0.441 183 S N 0.749 116.525 115.700 0.126 0.000 2.433 183 S HA 0.370 4.844 4.470 0.007 0.000 0.310 183 S C 1.177 175.768 174.600 -0.015 0.000 1.097 183 S CA -0.627 57.611 58.200 0.063 0.000 1.103 183 S CB 1.050 64.293 63.200 0.071 0.000 0.992 183 S HN 0.404 nan 8.310 nan 0.000 0.469 184 L N 1.767 122.957 121.223 -0.056 0.000 2.291 184 L HA 0.041 4.385 4.340 0.007 0.000 0.214 184 L C 1.117 177.945 176.870 -0.071 0.000 1.120 184 L CA 0.814 55.597 54.840 -0.095 0.000 0.799 184 L CB -0.214 41.795 42.059 -0.083 0.000 0.925 184 L HN 0.661 nan 8.230 nan 0.000 0.446 185 D N -1.993 118.376 120.400 -0.052 0.000 2.414 185 D HA 0.060 4.704 4.640 0.007 0.000 0.241 185 D C -0.005 176.275 176.300 -0.032 0.000 1.008 185 D CA -0.512 53.441 54.000 -0.079 0.000 1.001 185 D CB 1.461 42.166 40.800 -0.159 0.000 1.277 185 D HN -0.188 nan 8.370 nan 0.000 0.538 186 D N 0.017 120.396 120.400 -0.034 0.000 2.084 186 D HA -0.137 4.507 4.640 0.007 0.000 0.194 186 D C 0.747 177.050 176.300 0.004 0.000 0.990 186 D CA 1.070 55.063 54.000 -0.012 0.000 0.826 186 D CB 0.006 40.797 40.800 -0.014 0.000 0.971 186 D HN 0.483 nan 8.370 nan 0.000 0.453 187 D N 0.548 120.950 120.400 0.004 0.000 2.358 187 D HA 0.058 4.702 4.640 0.007 0.000 0.241 187 D C 0.722 177.050 176.300 0.047 0.000 1.094 187 D CA 0.260 54.274 54.000 0.023 0.000 0.907 187 D CB -0.200 40.615 40.800 0.024 0.000 0.893 187 D HN 0.198 nan 8.370 nan 0.000 0.528 188 G N 1.390 110.220 108.800 0.049 0.000 2.369 188 G HA2 -0.265 3.699 3.960 0.007 0.000 0.286 188 G HA3 -0.265 3.699 3.960 0.007 0.000 0.286 188 G C 0.782 175.760 174.900 0.129 0.000 0.938 188 G CA 0.603 45.750 45.100 0.079 0.000 1.271 188 G HN 0.381 nan 8.290 nan 0.000 0.488 189 V N 0.806 120.840 119.914 0.199 0.000 2.840 189 V HA 0.395 4.519 4.120 0.007 0.000 0.234 189 V C 1.017 177.442 176.094 0.552 0.000 1.159 189 V CA 0.346 62.855 62.300 0.349 0.000 1.194 189 V CB 0.170 32.249 31.823 0.426 0.000 0.971 189 V HN 0.457 nan 8.190 nan 0.000 0.494 190 Y N 2.977 123.415 120.300 0.229 0.000 2.486 190 Y HA 0.529 5.083 4.550 0.007 0.000 0.348 190 Y C 0.596 176.507 175.900 0.018 0.000 1.000 190 Y CA -0.362 57.880 58.100 0.237 0.000 1.253 190 Y CB 0.784 39.394 38.460 0.250 0.000 1.140 190 Y HN 0.377 nan 8.280 nan 0.000 0.526 191 S N 3.356 119.097 115.700 0.069 0.000 2.715 191 S HA 0.741 5.215 4.470 0.007 0.000 0.307 191 S C -1.294 173.184 174.600 -0.203 0.000 1.119 191 S CA -0.815 57.385 58.200 0.000 0.000 0.937 191 S CB 2.288 65.548 63.200 0.101 0.000 1.150 191 S HN 0.606 nan 8.310 nan 0.000 0.521 192 Y N -0.992 119.159 120.300 -0.249 0.000 2.705 192 Y HA 0.830 5.384 4.550 0.007 0.000 0.332 192 Y C -1.144 174.743 175.900 -0.022 0.000 1.221 192 Y CA -1.758 56.206 58.100 -0.226 0.000 1.059 192 Y CB 0.853 39.160 38.460 -0.254 0.000 1.298 192 Y HN 1.050 nan 8.280 nan 0.000 0.459 193 R N 1.786 122.102 120.500 -0.307 0.000 2.563 193 R HA 0.661 5.006 4.340 0.007 0.000 0.262 193 R C -2.768 173.407 176.300 -0.208 0.000 1.128 193 R CA -0.696 55.196 56.100 -0.346 0.000 0.969 193 R CB 1.721 31.942 30.300 -0.132 0.000 1.251 193 R HN 0.841 nan 8.270 nan 0.000 0.442 194 L N 2.981 124.088 121.223 -0.193 0.000 2.372 194 L HA 0.585 4.929 4.340 0.007 0.000 0.274 194 L C -1.381 175.373 176.870 -0.194 0.000 0.988 194 L CA 0.075 54.898 54.840 -0.029 0.000 0.833 194 L CB 2.383 44.560 42.059 0.197 0.000 1.236 194 L HN 0.697 nan 8.230 nan 0.000 0.410 195 T N 3.205 117.594 114.554 -0.275 0.000 2.824 195 T HA 0.900 5.254 4.350 0.007 0.000 0.282 195 T C -0.167 174.204 174.700 -0.549 0.000 0.993 195 T CA -0.579 61.238 62.100 -0.472 0.000 0.967 195 T CB 1.635 70.361 68.868 -0.236 0.000 0.960 195 T HN 0.815 nan 8.240 nan 0.000 0.441 196 G N 1.770 109.991 108.800 -0.965 0.000 2.677 196 G HA2 0.745 4.710 3.960 0.007 0.000 0.291 196 G HA3 0.745 4.710 3.960 0.007 0.000 0.291 196 G C -2.002 172.743 174.900 -0.259 0.000 1.435 196 G CA -0.900 43.905 45.100 -0.493 0.000 0.826 196 G HN 0.926 nan 8.290 nan 0.000 0.491 197 L N -2.374 118.832 121.223 -0.028 0.000 2.794 197 L HA 0.976 5.320 4.340 0.007 0.000 0.261 197 L C -0.696 176.222 176.870 0.081 0.000 0.989 197 L CA -1.382 53.445 54.840 -0.023 0.000 0.900 197 L CB 1.461 43.383 42.059 -0.229 0.000 1.473 197 L HN 1.498 nan 8.230 nan 0.000 0.414 198 A N 1.363 124.244 122.820 0.102 0.000 2.353 198 A HA 0.922 5.246 4.320 0.007 0.000 0.299 198 A C -0.827 176.780 177.584 0.038 0.000 1.089 198 A CA -0.560 51.579 52.037 0.170 0.000 0.736 198 A CB 1.409 20.637 19.000 0.380 0.000 1.195 198 A HN 0.910 nan 8.150 nan 0.000 0.447 199 R N 1.381 121.815 120.500 -0.111 0.000 2.686 199 R HA 0.727 5.072 4.340 0.007 0.000 0.286 199 R C -1.092 175.150 176.300 -0.097 0.000 0.969 199 R CA -0.120 55.938 56.100 -0.070 0.000 0.898 199 R CB 1.868 32.112 30.300 -0.093 0.000 1.183 199 R HN 0.759 nan 8.270 nan 0.000 0.456 200 S N 2.020 117.738 115.700 0.029 0.000 2.541 200 S HA 0.894 5.368 4.470 0.007 0.000 0.280 200 S C -1.856 172.792 174.600 0.080 0.000 1.112 200 S CA -0.060 58.174 58.200 0.056 0.000 0.925 200 S CB 1.818 65.103 63.200 0.143 0.000 1.067 200 S HN 0.880 nan 8.310 nan 0.000 0.479 201 A N 3.587 126.432 122.820 0.042 0.000 2.590 201 A HA 0.530 4.854 4.320 0.007 0.000 0.294 201 A C -1.417 176.175 177.584 0.013 0.000 1.046 201 A CA -1.007 51.043 52.037 0.021 0.000 0.684 201 A CB 0.649 19.640 19.000 -0.015 0.000 1.279 201 A HN 0.844 nan 8.150 nan 0.000 0.415 202 N N 0.770 119.475 118.700 0.008 0.000 2.518 202 N HA 0.524 5.268 4.740 0.007 0.000 0.283 202 N C 0.234 175.743 175.510 -0.001 0.000 1.119 202 N CA -0.075 52.979 53.050 0.007 0.000 0.983 202 N CB 1.557 40.046 38.487 0.002 0.000 1.139 202 N HN 0.965 nan 8.380 nan 0.000 0.465 203 A N 1.241 124.067 122.820 0.009 0.000 2.445 203 A HA -0.035 4.290 4.320 0.007 0.000 0.242 203 A C 1.408 178.990 177.584 -0.003 0.000 1.075 203 A CA -0.285 51.764 52.037 0.020 0.000 0.777 203 A CB 0.419 19.459 19.000 0.067 0.000 1.013 203 A HN 0.936 nan 8.150 nan 0.000 0.493 204 Q N 0.763 120.560 119.800 -0.004 0.000 2.242 204 Q HA -0.239 4.105 4.340 0.007 0.000 0.211 204 Q C 0.792 176.752 176.000 -0.068 0.000 0.992 204 Q CA 1.843 57.627 55.803 -0.033 0.000 0.889 204 Q CB -0.124 28.600 28.738 -0.023 0.000 0.913 204 Q HN 0.840 nan 8.270 nan 0.000 0.422 205 Q N 0.752 120.501 119.800 -0.084 0.000 2.577 205 Q HA 0.151 4.496 4.340 0.007 0.000 0.183 205 Q C -0.249 175.684 176.000 -0.112 0.000 1.167 205 Q CA 0.573 56.279 55.803 -0.161 0.000 1.234 205 Q CB 0.077 28.637 28.738 -0.297 0.000 1.569 205 Q HN 0.162 nan 8.270 nan 0.000 0.656 206 K N -1.416 118.906 120.400 -0.131 0.000 2.318 206 K HA 0.456 4.780 4.320 0.007 0.000 0.249 206 K C 0.229 176.791 176.600 -0.064 0.000 0.942 206 K CA -0.012 56.218 56.287 -0.096 0.000 0.808 206 K CB 1.774 34.198 32.500 -0.127 0.000 1.189 206 K HN 0.782 nan 8.250 nan 0.000 0.428 207 G N 0.748 109.528 108.800 -0.034 0.000 2.189 207 G HA2 -0.265 3.699 3.960 0.007 0.000 0.267 207 G HA3 -0.265 3.699 3.960 0.007 0.000 0.267 207 G C -0.200 174.714 174.900 0.023 0.000 0.975 207 G CA 0.485 45.581 45.100 -0.007 0.000 0.644 207 G HN 0.455 nan 8.290 nan 0.000 0.537 208 S N 0.657 116.374 115.700 0.029 0.000 2.478 208 S HA 0.593 5.067 4.470 0.007 0.000 0.312 208 S C -0.051 174.574 174.600 0.042 0.000 1.094 208 S CA -0.193 58.044 58.200 0.060 0.000 1.081 208 S CB 1.703 64.975 63.200 0.119 0.000 1.007 208 S HN 0.728 nan 8.310 nan 0.000 0.475 209 E N 1.808 122.031 120.200 0.038 0.000 2.316 209 E HA 0.686 5.040 4.350 0.007 0.000 0.258 209 E C -1.167 175.438 176.600 0.008 0.000 0.952 209 E CA -1.163 55.252 56.400 0.024 0.000 0.818 209 E CB 1.260 30.978 29.700 0.030 0.000 1.260 209 E HN 0.609 nan 8.360 nan 0.000 0.416 210 E N 0.589 120.782 120.200 -0.011 0.000 2.294 210 E HA 0.221 4.575 4.350 0.007 0.000 0.272 210 E C -1.435 175.120 176.600 -0.076 0.000 0.896 210 E CA -0.883 55.488 56.400 -0.049 0.000 0.802 210 E CB 1.304 30.966 29.700 -0.064 0.000 1.267 210 E HN 0.565 nan 8.360 nan 0.000 0.406 211 Q N 3.060 122.791 119.800 -0.114 0.000 2.365 211 Q HA 0.636 4.980 4.340 0.007 0.000 0.269 211 Q C -0.841 174.922 176.000 -0.394 0.000 1.061 211 Q CA -1.133 54.530 55.803 -0.234 0.000 0.816 211 Q CB 2.995 31.631 28.738 -0.170 0.000 1.325 211 Q HN 0.567 nan 8.270 nan 0.000 0.446 212 R N 1.966 122.108 120.500 -0.598 0.000 2.604 212 R HA 0.484 4.828 4.340 0.007 0.000 0.281 212 R C -1.888 173.986 176.300 -0.710 0.000 1.020 212 R CA -0.593 55.186 56.100 -0.536 0.000 0.899 212 R CB 1.575 31.734 30.300 -0.236 0.000 1.205 212 R HN 0.777 nan 8.270 nan 0.000 0.450 213 Y N 1.573 121.878 120.300 0.009 0.000 2.329 213 Y HA 0.690 5.245 4.550 0.007 0.000 0.328 213 Y C -0.396 175.495 175.900 -0.014 0.000 0.992 213 Y CA -0.721 57.385 58.100 0.010 0.000 1.151 213 Y CB 2.433 40.907 38.460 0.023 0.000 1.150 213 Y HN 0.727 nan 8.280 nan 0.000 0.450 214 A N 3.465 126.328 122.820 0.072 0.000 2.427 214 A HA 0.873 5.198 4.320 0.007 0.000 0.298 214 A C -1.670 175.847 177.584 -0.111 0.000 1.036 214 A CA -0.598 51.388 52.037 -0.086 0.000 0.701 214 A CB 0.854 19.752 19.000 -0.171 0.000 1.250 214 A HN 0.566 nan 8.150 nan 0.000 0.412 215 I N 1.691 122.179 120.570 -0.138 0.000 2.418 215 I HA 0.564 4.738 4.170 0.007 0.000 0.287 215 I C 0.463 176.537 176.117 -0.073 0.000 1.008 215 I CA -0.190 61.083 61.300 -0.046 0.000 1.104 215 I CB 2.057 40.125 38.000 0.112 0.000 1.264 215 I HN 0.712 nan 8.210 nan 0.000 0.438 216 A N 8.089 130.875 122.820 -0.057 0.000 2.540 216 A HA 0.774 5.098 4.320 0.007 0.000 0.340 216 A C -2.597 175.049 177.584 0.103 0.000 1.424 216 A CA -1.383 50.687 52.037 0.056 0.000 0.940 216 A CB -0.403 18.689 19.000 0.154 0.000 1.149 216 A HN 0.364 nan 8.150 nan 0.000 0.505 217 P HA 0.512 nan 4.420 nan 0.000 0.287 217 P C -0.559 176.921 177.300 0.300 0.000 1.281 217 P CA 0.001 63.270 63.100 0.282 0.000 0.781 217 P CB 1.668 33.620 31.700 0.421 0.000 0.903 218 A N 3.828 126.810 122.820 0.269 0.000 2.427 218 A HA 0.690 5.014 4.320 0.007 0.000 0.298 218 A C -1.669 176.138 177.584 0.371 0.000 1.036 218 A CA -0.561 51.649 52.037 0.289 0.000 0.701 218 A CB 0.805 19.875 19.000 0.116 0.000 1.250 218 A HN 0.475 nan 8.150 nan 0.000 0.412 219 F N 1.417 121.589 119.950 0.371 0.000 2.492 219 F HA 0.722 5.253 4.527 0.007 0.000 0.327 219 F C 0.080 176.037 175.800 0.262 0.000 1.079 219 F CA -0.023 58.171 58.000 0.324 0.000 0.967 219 F CB 2.305 41.489 39.000 0.307 0.000 1.169 219 F HN 0.469 nan 8.300 nan 0.000 0.472 220 T N 4.369 119.225 114.554 0.503 0.000 2.881 220 T HA 0.156 4.510 4.350 0.007 0.000 0.291 220 T C -1.987 173.070 174.700 0.596 0.000 0.990 220 T CA -0.294 62.083 62.100 0.462 0.000 0.976 220 T CB 0.710 69.711 68.868 0.221 0.000 0.970 220 T HN 0.525 nan 8.240 nan 0.000 0.438 221 W N 4.349 125.874 121.300 0.374 0.000 2.529 221 W HA 0.610 5.275 4.660 0.009 0.000 0.321 221 W C -0.545 176.068 176.519 0.158 0.000 1.047 221 W CA -1.744 55.731 57.345 0.218 0.000 1.216 221 W CB 0.774 30.310 29.460 0.126 0.000 1.357 221 W HN 0.540 nan 8.180 nan 0.000 0.489 222 R N 6.379 126.932 120.500 0.089 0.000 2.687 222 R HA 0.175 4.519 4.340 0.007 0.000 0.264 222 R C -2.027 174.159 176.300 -0.190 0.000 1.715 222 R CA -1.351 54.675 56.100 -0.123 0.000 1.633 222 R CB 1.151 31.461 30.300 0.016 0.000 1.353 222 R HN 0.160 nan 8.270 nan 0.000 0.653 223 P HA -0.283 nan 4.420 nan 0.000 0.218 223 P C -0.135 177.087 177.300 -0.129 0.000 1.154 223 P CA 1.823 64.738 63.100 -0.308 0.000 0.872 223 P CB 0.284 31.643 31.700 -0.569 0.000 0.790 224 D N -3.004 117.287 120.400 -0.181 0.000 3.124 224 D HA 0.107 4.751 4.640 0.007 0.000 0.238 224 D C 0.152 176.383 176.300 -0.115 0.000 1.319 224 D CA -0.429 53.501 54.000 -0.117 0.000 1.057 224 D CB -0.537 40.182 40.800 -0.135 0.000 1.244 224 D HN -0.049 nan 8.370 nan 0.000 0.634 225 D N -1.571 118.759 120.400 -0.117 0.000 2.503 225 D HA 0.118 4.763 4.640 0.007 0.000 0.218 225 D C 0.131 176.348 176.300 -0.139 0.000 1.183 225 D CA -0.154 53.787 54.000 -0.099 0.000 0.827 225 D CB 0.370 41.138 40.800 -0.052 0.000 1.034 225 D HN 0.306 nan 8.370 nan 0.000 0.510 226 K N 0.362 120.629 120.400 -0.223 0.000 2.564 226 K HA 0.239 4.563 4.320 0.007 0.000 0.205 226 K C -0.492 175.792 176.600 -0.527 0.000 1.053 226 K CA -0.085 56.024 56.287 -0.297 0.000 1.072 226 K CB 1.449 33.790 32.500 -0.265 0.000 0.822 226 K HN -0.113 nan 8.250 nan 0.000 0.497 227 T N 0.691 114.974 114.554 -0.451 0.000 3.193 227 T HA 0.222 4.576 4.350 0.007 0.000 0.332 227 T C -1.636 172.838 174.700 -0.377 0.000 1.208 227 T CA -0.875 60.899 62.100 -0.543 0.000 1.080 227 T CB 1.841 70.333 68.868 -0.626 0.000 1.180 227 T HN 0.078 nan 8.240 nan 0.000 0.469 228 N N 1.829 120.295 118.700 -0.390 0.000 2.284 228 N HA 0.664 5.408 4.740 0.007 0.000 0.289 228 N C -2.034 173.423 175.510 -0.087 0.000 1.179 228 N CA -0.660 52.272 53.050 -0.197 0.000 0.774 228 N CB 2.311 40.691 38.487 -0.178 0.000 1.548 228 N HN 0.604 nan 8.380 nan 0.000 0.473 229 F N 1.443 121.399 119.950 0.011 0.000 2.915 229 F HA 0.376 4.907 4.527 0.007 0.000 0.350 229 F C -1.414 174.558 175.800 0.286 0.000 1.248 229 F CA -0.218 57.909 58.000 0.211 0.000 1.084 229 F CB 1.197 40.415 39.000 0.364 0.000 1.391 229 F HN 0.226 nan 8.300 nan 0.000 0.548 230 T N 6.909 121.267 114.554 -0.326 0.000 2.809 230 T HA 0.284 4.639 4.350 0.007 0.000 0.296 230 T C -0.911 173.682 174.700 -0.177 0.000 1.015 230 T CA -0.311 61.708 62.100 -0.136 0.000 0.954 230 T CB 0.496 69.351 68.868 -0.022 0.000 0.950 230 T HN 0.437 nan 8.240 nan 0.000 0.450 231 F N 5.048 124.925 119.950 -0.122 0.000 2.506 231 F HA 0.467 4.998 4.527 0.007 0.000 0.371 231 F C -0.764 175.087 175.800 0.085 0.000 1.078 231 F CA -0.868 57.143 58.000 0.018 0.000 1.195 231 F CB 0.124 39.234 39.000 0.184 0.000 1.099 231 F HN 0.401 nan 8.300 nan 0.000 0.548 232 L N 7.147 128.031 121.223 -0.565 0.000 2.345 232 L HA 0.423 4.767 4.340 0.007 0.000 0.274 232 L C -0.403 176.100 176.870 -0.611 0.000 0.999 232 L CA -0.526 54.062 54.840 -0.420 0.000 0.849 232 L CB 1.341 43.263 42.059 -0.229 0.000 1.220 232 L HN 0.686 nan 8.230 nan 0.000 0.422 233 S N 1.849 117.241 115.700 -0.513 0.000 2.648 233 S HA 0.796 5.271 4.470 0.007 0.000 0.305 233 S C -1.162 173.329 174.600 -0.181 0.000 1.094 233 S CA -0.768 57.194 58.200 -0.397 0.000 0.983 233 S CB 2.362 65.525 63.200 -0.062 0.000 1.101 233 S HN 0.485 nan 8.310 nan 0.000 0.514 234 Y N 0.340 120.257 120.300 -0.637 0.000 2.376 234 Y HA 0.565 5.120 4.550 0.007 0.000 0.321 234 Y C -2.471 173.002 175.900 -0.712 0.000 1.189 234 Y CA -1.096 56.747 58.100 -0.427 0.000 1.069 234 Y CB 1.188 39.490 38.460 -0.263 0.000 1.292 234 Y HN 0.774 nan 8.280 nan 0.000 0.430 235 F N 5.064 124.838 119.950 -0.294 0.000 2.539 235 F HA 0.481 5.012 4.527 0.007 0.000 0.328 235 F C -0.578 175.049 175.800 -0.290 0.000 1.148 235 F CA -0.614 57.303 58.000 -0.139 0.000 0.940 235 F CB 2.119 41.100 39.000 -0.032 0.000 1.194 235 F HN 0.454 nan 8.300 nan 0.000 0.438 236 Q N 3.126 122.935 119.800 0.016 0.000 2.304 236 Q HA 0.456 4.801 4.340 0.007 0.000 0.270 236 Q C -1.811 174.251 176.000 0.104 0.000 1.035 236 Q CA -0.784 55.029 55.803 0.017 0.000 0.781 236 Q CB 2.113 30.910 28.738 0.098 0.000 1.261 236 Q HN 0.692 nan 8.270 nan 0.000 0.444 237 N N 2.737 121.510 118.700 0.121 0.000 2.314 237 N HA 0.295 5.039 4.740 0.007 0.000 0.294 237 N C -1.826 173.757 175.510 0.121 0.000 1.029 237 N CA -0.287 52.848 53.050 0.142 0.000 0.845 237 N CB 1.673 40.267 38.487 0.179 0.000 1.321 237 N HN 0.582 nan 8.380 nan 0.000 0.481 238 E N 3.496 123.738 120.200 0.070 0.000 2.279 238 E HA 0.270 4.624 4.350 0.007 0.000 0.252 238 E C -2.091 174.530 176.600 0.036 0.000 0.894 238 E CA -1.653 54.748 56.400 0.002 0.000 0.785 238 E CB 2.254 31.923 29.700 -0.051 0.000 1.237 238 E HN 0.494 nan 8.360 nan 0.000 0.418 239 P HA -0.056 nan 4.420 nan 0.000 0.229 239 P C -0.506 176.817 177.300 0.039 0.000 1.160 239 P CA 0.879 64.022 63.100 0.072 0.000 0.777 239 P CB 0.466 32.235 31.700 0.114 0.000 0.814 240 E N -1.867 118.336 120.200 0.006 0.000 2.304 240 E HA 0.176 4.530 4.350 0.007 0.000 0.277 240 E C 0.170 176.734 176.600 -0.061 0.000 0.898 240 E CA 0.003 56.401 56.400 -0.003 0.000 0.764 240 E CB 1.627 31.332 29.700 0.008 0.000 1.216 240 E HN -0.081 nan 8.360 nan 0.000 0.419 241 T N -1.116 113.381 114.554 -0.095 0.000 3.001 241 T HA 0.444 4.798 4.350 0.007 0.000 0.251 241 T C 0.889 175.453 174.700 -0.226 0.000 1.040 241 T CA 0.504 62.466 62.100 -0.231 0.000 0.985 241 T CB 0.432 69.028 68.868 -0.453 0.000 1.011 241 T HN 0.798 nan 8.240 nan 0.000 0.509 242 G N 0.991 109.727 108.800 -0.106 0.000 2.549 242 G HA2 -0.019 3.945 3.960 0.007 0.000 0.404 242 G HA3 -0.019 3.945 3.960 0.007 0.000 0.404 242 G C -0.773 174.158 174.900 0.050 0.000 1.292 242 G CA -0.551 44.535 45.100 -0.023 0.000 0.935 242 G HN 0.601 nan 8.290 nan 0.000 0.512 243 Y N -0.215 120.098 120.300 0.022 0.000 2.511 243 Y HA 0.488 5.042 4.550 0.007 0.000 0.347 243 Y C 0.671 176.690 175.900 0.199 0.000 1.257 243 Y CA 0.991 59.160 58.100 0.115 0.000 1.469 243 Y CB 0.644 39.178 38.460 0.123 0.000 1.353 243 Y HN 1.173 nan 8.280 nan 0.000 0.617 244 Y N 3.317 123.071 120.300 -0.910 0.000 3.321 244 Y HA 0.310 4.865 4.550 0.007 0.000 0.234 244 Y C 0.034 175.612 175.900 -0.537 0.000 0.930 244 Y CA -0.283 57.436 58.100 -0.634 0.000 1.217 244 Y CB -0.162 38.156 38.460 -0.237 0.000 1.278 244 Y HN 0.770 nan 8.280 nan 0.000 0.689 245 G N 0.067 108.226 108.800 -1.069 0.000 2.531 245 G HA2 0.416 4.381 3.960 0.007 0.000 0.281 245 G HA3 0.416 4.381 3.960 0.007 0.000 0.281 245 G C -1.267 173.916 174.900 0.471 0.000 1.382 245 G CA -0.317 44.706 45.100 -0.127 0.000 1.045 245 G HN 0.125 nan 8.290 nan 0.000 0.533 246 W N -0.615 120.907 121.300 0.370 0.000 2.785 246 W HA 0.645 5.309 4.660 0.007 0.000 0.333 246 W C -0.819 175.840 176.519 0.234 0.000 1.062 246 W CA -1.068 56.451 57.345 0.290 0.000 1.233 246 W CB 1.193 30.820 29.460 0.279 0.000 1.413 246 W HN 0.155 nan 8.180 nan 0.000 0.489 247 L N 5.427 126.816 121.223 0.276 0.000 2.362 247 L HA 0.469 4.813 4.340 0.007 0.000 0.275 247 L C -1.920 174.910 176.870 -0.066 0.000 0.998 247 L CA -2.115 52.805 54.840 0.134 0.000 0.820 247 L CB 2.393 44.517 42.059 0.109 0.000 1.270 247 L HN 0.017 nan 8.230 nan 0.000 0.415 248 P HA 0.063 nan 4.420 nan 0.000 0.271 248 P C -0.229 176.935 177.300 -0.227 0.000 1.218 248 P CA -0.481 62.543 63.100 -0.127 0.000 0.780 248 P CB 0.796 32.464 31.700 -0.052 0.000 0.901 249 K N 1.167 121.367 120.400 -0.334 0.000 2.280 249 K HA -0.111 4.213 4.320 0.007 0.000 0.202 249 K C 0.172 176.615 176.600 -0.262 0.000 1.047 249 K CA 1.212 57.278 56.287 -0.369 0.000 0.942 249 K CB -0.430 31.677 32.500 -0.655 0.000 0.739 249 K HN 0.260 nan 8.250 nan 0.000 0.457 250 E N 1.071 121.143 120.200 -0.214 0.000 2.323 250 E HA 0.116 4.471 4.350 0.007 0.000 0.313 250 E C 0.318 176.857 176.600 -0.101 0.000 1.236 250 E CA 0.524 56.843 56.400 -0.134 0.000 1.333 250 E CB 0.152 29.795 29.700 -0.095 0.000 1.138 250 E HN 0.590 nan 8.360 nan 0.000 0.492 251 G N 0.077 108.817 108.800 -0.099 0.000 2.870 251 G HA2 -0.184 3.780 3.960 0.007 0.000 0.216 251 G HA3 -0.184 3.780 3.960 0.007 0.000 0.216 251 G C 0.859 175.750 174.900 -0.016 0.000 0.973 251 G CA 0.218 45.279 45.100 -0.066 0.000 0.807 251 G HN 0.480 nan 8.290 nan 0.000 0.573 252 T N -2.951 111.534 114.554 -0.114 0.000 3.413 252 T HA 0.309 4.663 4.350 0.007 0.000 0.187 252 T C 1.932 176.493 174.700 -0.232 0.000 0.961 252 T CA 1.376 63.315 62.100 -0.269 0.000 1.085 252 T CB -0.109 68.385 68.868 -0.624 0.000 1.345 252 T HN 0.378 nan 8.240 nan 0.000 0.326 253 V N 2.167 121.939 119.914 -0.237 0.000 2.270 253 V HA 0.076 4.201 4.120 0.007 0.000 0.245 253 V C 1.179 177.245 176.094 -0.047 0.000 1.043 253 V CA 1.499 63.734 62.300 -0.108 0.000 1.014 253 V CB -0.773 31.039 31.823 -0.018 0.000 0.645 253 V HN 0.562 nan 8.190 nan 0.000 0.447 254 E N 0.246 120.399 120.200 -0.077 0.000 2.242 254 E HA 0.342 4.696 4.350 0.007 0.000 0.275 254 E C -2.506 174.070 176.600 -0.040 0.000 1.002 254 E CA -2.135 54.234 56.400 -0.052 0.000 0.841 254 E CB 1.322 30.970 29.700 -0.087 0.000 1.109 254 E HN 0.258 nan 8.360 nan 0.000 0.394 255 P HA 0.099 nan 4.420 nan 0.000 0.275 255 P C -0.632 176.663 177.300 -0.009 0.000 1.266 255 P CA -0.232 62.869 63.100 0.002 0.000 0.793 255 P CB 0.622 32.331 31.700 0.014 0.000 1.074 256 L N 1.663 122.886 121.223 0.000 0.000 2.387 256 L HA 0.306 4.651 4.340 0.007 0.000 0.266 256 L C -1.303 175.584 176.870 0.028 0.000 1.059 256 L CA -1.910 52.936 54.840 0.010 0.000 0.801 256 L CB 0.831 42.893 42.059 0.005 0.000 1.223 256 L HN 0.306 nan 8.230 nan 0.000 0.456 257 P HA -0.186 nan 4.420 nan 0.000 0.216 257 P C 0.718 178.052 177.300 0.057 0.000 1.157 257 P CA 1.382 64.522 63.100 0.065 0.000 0.880 257 P CB -0.007 31.761 31.700 0.114 0.000 0.791 258 N N -1.533 117.200 118.700 0.055 0.000 2.443 258 N HA -0.098 4.646 4.740 0.007 0.000 0.184 258 N C 1.627 177.146 175.510 0.015 0.000 1.037 258 N CA 1.729 54.794 53.050 0.025 0.000 0.896 258 N CB -0.579 37.901 38.487 -0.011 0.000 0.959 258 N HN 0.302 nan 8.380 nan 0.000 0.442 259 G N 0.229 109.039 108.800 0.016 0.000 2.307 259 G HA2 -0.237 3.727 3.960 0.007 0.000 0.210 259 G HA3 -0.237 3.727 3.960 0.007 0.000 0.210 259 G C 0.015 174.923 174.900 0.012 0.000 1.005 259 G CA -0.158 44.950 45.100 0.014 0.000 0.634 259 G HN 0.360 nan 8.290 nan 0.000 0.496 260 K N 0.740 121.143 120.400 0.005 0.000 2.098 260 K HA 0.688 5.013 4.320 0.007 0.000 0.257 260 K C 0.384 176.988 176.600 0.007 0.000 0.999 260 K CA -0.511 55.779 56.287 0.005 0.000 0.924 260 K CB 0.961 33.456 32.500 -0.008 0.000 1.028 260 K HN 0.195 nan 8.250 nan 0.000 0.466 261 R N 0.995 121.510 120.500 0.026 0.000 2.732 261 R HA 0.330 4.674 4.340 0.007 0.000 0.278 261 R C -0.560 175.759 176.300 0.033 0.000 0.976 261 R CA -1.136 54.998 56.100 0.056 0.000 0.963 261 R CB 0.759 31.149 30.300 0.151 0.000 1.150 261 R HN 0.254 nan 8.270 nan 0.000 0.478 262 L N 3.349 124.585 121.223 0.021 0.000 2.483 262 L HA 0.134 4.478 4.340 0.007 0.000 0.276 262 L C -1.725 175.140 176.870 -0.008 0.000 1.213 262 L CA -0.788 54.005 54.840 -0.079 0.000 0.843 262 L CB -0.163 41.705 42.059 -0.318 0.000 1.107 262 L HN 0.419 nan 8.230 nan 0.000 0.487 263 P HA 0.050 nan 4.420 nan 0.000 0.272 263 P C 0.465 177.461 177.300 -0.506 0.000 1.230 263 P CA -0.324 62.644 63.100 -0.219 0.000 0.788 263 P CB 0.499 32.150 31.700 -0.082 0.000 0.949 264 T N -2.302 111.728 114.554 -0.873 0.000 2.977 264 T HA -0.176 4.178 4.350 0.007 0.000 0.271 264 T C 0.789 175.180 174.700 -0.514 0.000 1.105 264 T CA 1.486 62.855 62.100 -1.218 0.000 1.116 264 T CB -1.013 67.318 68.868 -0.895 0.000 0.878 264 T HN 0.484 nan 8.240 nan 0.000 0.509 265 D N -0.656 119.575 120.400 -0.282 0.000 2.340 265 D HA 0.177 4.822 4.640 0.007 0.000 0.217 265 D C 0.291 176.532 176.300 -0.097 0.000 1.081 265 D CA -0.872 53.032 54.000 -0.160 0.000 0.842 265 D CB -0.710 40.011 40.800 -0.131 0.000 0.934 265 D HN 0.417 nan 8.370 nan 0.000 0.511 266 F N 1.750 121.600 119.950 -0.166 0.000 2.633 266 F HA 0.179 4.710 4.527 0.007 0.000 0.338 266 F C 0.350 176.084 175.800 -0.111 0.000 1.206 266 F CA 0.456 58.407 58.000 -0.082 0.000 1.378 266 F CB 0.417 39.423 39.000 0.011 0.000 1.116 266 F HN 0.029 nan 8.300 nan 0.000 0.615 267 N N 1.824 120.033 118.700 -0.818 0.000 2.699 267 N HA 0.117 4.861 4.740 0.007 0.000 0.271 267 N C -0.786 174.486 175.510 -0.396 0.000 1.216 267 N CA -0.529 52.275 53.050 -0.410 0.000 0.844 267 N CB 0.638 38.946 38.487 -0.298 0.000 1.462 267 N HN 0.515 nan 8.380 nan 0.000 0.555 268 E N 1.334 121.589 120.200 0.091 0.000 2.526 268 E HA 0.149 4.503 4.350 0.007 0.000 0.198 268 E C 1.034 177.711 176.600 0.129 0.000 1.091 268 E CA -0.227 56.303 56.400 0.216 0.000 0.880 268 E CB -0.044 29.896 29.700 0.401 0.000 0.873 268 E HN 0.503 nan 8.360 nan 0.000 0.527 269 G N 0.080 108.941 108.800 0.102 0.000 2.557 269 G HA2 0.554 4.519 3.960 0.007 0.000 0.292 269 G HA3 0.554 4.519 3.960 0.007 0.000 0.292 269 G C -0.690 174.234 174.900 0.040 0.000 1.237 269 G CA -0.545 44.617 45.100 0.103 0.000 0.978 269 G HN 0.312 nan 8.290 nan 0.000 0.498 270 A N -0.288 122.565 122.820 0.054 0.000 2.292 270 A HA 0.495 4.819 4.320 0.007 0.000 0.319 270 A C 1.380 179.012 177.584 0.080 0.000 1.206 270 A CA -0.365 51.703 52.037 0.052 0.000 0.835 270 A CB 1.059 20.084 19.000 0.042 0.000 1.164 270 A HN 0.858 nan 8.150 nan 0.000 0.505 271 K N 2.141 122.571 120.400 0.051 0.000 2.227 271 K HA -0.274 4.050 4.320 0.007 0.000 0.208 271 K C 0.943 177.592 176.600 0.080 0.000 1.045 271 K CA 2.506 58.822 56.287 0.048 0.000 0.931 271 K CB -0.302 32.216 32.500 0.030 0.000 0.721 271 K HN 0.927 nan 8.250 nan 0.000 0.469 272 N N -0.506 118.270 118.700 0.128 0.000 2.251 272 N HA 0.003 4.748 4.740 0.007 0.000 0.217 272 N C -0.718 174.921 175.510 0.214 0.000 1.124 272 N CA -0.597 52.554 53.050 0.169 0.000 0.843 272 N CB 0.052 38.657 38.487 0.198 0.000 1.024 272 N HN 0.036 nan 8.380 nan 0.000 0.501 273 N N 0.880 119.692 118.700 0.186 0.000 2.441 273 N HA 0.068 4.812 4.740 0.007 0.000 0.251 273 N C -0.608 174.922 175.510 0.034 0.000 1.242 273 N CA 0.535 53.654 53.050 0.116 0.000 0.898 273 N CB 1.326 39.890 38.487 0.129 0.000 1.100 273 N HN 0.162 nan 8.380 nan 0.000 0.443 274 T N 0.831 115.343 114.554 -0.071 0.000 2.916 274 T HA 0.480 4.834 4.350 0.007 0.000 0.305 274 T C -2.091 172.564 174.700 -0.076 0.000 1.119 274 T CA -0.475 61.598 62.100 -0.046 0.000 1.008 274 T CB 0.389 69.214 68.868 -0.071 0.000 1.129 274 T HN 0.329 nan 8.240 nan 0.000 0.480 275 Y N 2.285 122.520 120.300 -0.108 0.000 2.317 275 Y HA 0.593 5.148 4.550 0.007 0.000 0.325 275 Y C -0.507 175.324 175.900 -0.116 0.000 1.066 275 Y CA -0.731 57.284 58.100 -0.141 0.000 1.203 275 Y CB 1.824 40.186 38.460 -0.164 0.000 1.127 275 Y HN 0.707 nan 8.280 nan 0.000 0.451 276 S N 5.203 120.995 115.700 0.153 0.000 2.568 276 S HA 0.741 5.215 4.470 0.007 0.000 0.302 276 S C -1.093 173.573 174.600 0.110 0.000 1.082 276 S CA -0.943 57.313 58.200 0.093 0.000 1.009 276 S CB 2.155 65.382 63.200 0.044 0.000 1.069 276 S HN 0.533 nan 8.310 nan 0.000 0.500 277 R N 2.650 123.190 120.500 0.067 0.000 2.542 277 R HA 0.217 4.562 4.340 0.007 0.000 0.284 277 R C -2.051 174.288 176.300 0.065 0.000 1.167 277 R CA -0.276 55.864 56.100 0.067 0.000 1.000 277 R CB 1.032 31.347 30.300 0.026 0.000 1.229 277 R HN 0.800 nan 8.270 nan 0.000 0.416 278 N N 3.620 122.368 118.700 0.080 0.000 2.407 278 N HA 0.205 4.949 4.740 0.007 0.000 0.277 278 N C -1.352 174.216 175.510 0.096 0.000 0.995 278 N CA -0.208 52.898 53.050 0.093 0.000 0.903 278 N CB 1.554 40.099 38.487 0.096 0.000 1.218 278 N HN 0.615 nan 8.380 nan 0.000 0.487 279 E N 2.493 122.757 120.200 0.108 0.000 2.210 279 E HA 0.490 4.844 4.350 0.007 0.000 0.266 279 E C -1.134 175.540 176.600 0.122 0.000 0.883 279 E CA -0.903 55.555 56.400 0.097 0.000 0.761 279 E CB 2.086 31.839 29.700 0.088 0.000 1.156 279 E HN 0.379 nan 8.360 nan 0.000 0.412 280 K N 3.767 124.217 120.400 0.084 0.000 2.507 280 K HA 0.530 4.855 4.320 0.007 0.000 0.251 280 K C -0.719 175.829 176.600 -0.086 0.000 0.943 280 K CA -0.609 55.717 56.287 0.066 0.000 0.794 280 K CB 1.908 34.603 32.500 0.325 0.000 1.188 280 K HN 0.631 nan 8.250 nan 0.000 0.428 281 M N -0.024 119.392 119.600 -0.307 0.000 2.484 281 M HA 0.665 5.150 4.480 0.007 0.000 0.289 281 M C -0.930 175.206 176.300 -0.273 0.000 1.206 281 M CA -1.256 53.914 55.300 -0.216 0.000 0.892 281 M CB 2.135 34.624 32.600 -0.185 0.000 1.712 281 M HN 0.308 nan 8.290 nan 0.000 0.462 282 V N -0.979 118.899 119.914 -0.059 0.000 2.808 282 V HA 1.093 5.217 4.120 0.007 0.000 0.308 282 V C -0.482 175.616 176.094 0.007 0.000 1.099 282 V CA 0.149 62.422 62.300 -0.044 0.000 0.920 282 V CB 1.114 33.087 31.823 0.249 0.000 1.014 282 V HN 1.314 nan 8.190 nan 0.000 0.425 283 G N 2.496 111.202 108.800 -0.157 0.000 2.550 283 G HA2 0.728 4.692 3.960 0.007 0.000 0.293 283 G HA3 0.728 4.692 3.960 0.007 0.000 0.293 283 G C -1.867 172.993 174.900 -0.068 0.000 1.402 283 G CA -0.202 44.859 45.100 -0.066 0.000 0.784 283 G HN 1.930 nan 8.290 nan 0.000 0.482 284 Y N -1.485 118.795 120.300 -0.033 0.000 2.581 284 Y HA 0.851 5.405 4.550 0.007 0.000 0.345 284 Y C -0.303 175.529 175.900 -0.114 0.000 1.036 284 Y CA -1.624 56.391 58.100 -0.143 0.000 1.042 284 Y CB 2.125 40.523 38.460 -0.105 0.000 1.289 284 Y HN 0.702 nan 8.280 nan 0.000 0.471 285 S N 3.488 119.210 115.700 0.036 0.000 2.669 285 S HA 0.551 5.026 4.470 0.007 0.000 0.315 285 S C -1.709 172.966 174.600 0.126 0.000 1.106 285 S CA -0.488 57.719 58.200 0.013 0.000 1.107 285 S CB -0.237 62.871 63.200 -0.152 0.000 0.990 285 S HN 0.638 nan 8.310 nan 0.000 0.471 286 F N 4.347 124.399 119.950 0.171 0.000 2.458 286 F HA 0.716 5.247 4.527 0.007 0.000 0.330 286 F C -0.378 175.458 175.800 0.060 0.000 1.082 286 F CA -0.533 57.581 58.000 0.189 0.000 0.995 286 F CB 1.346 40.557 39.000 0.352 0.000 1.170 286 F HN 0.565 nan 8.300 nan 0.000 0.478 287 D N 3.635 123.550 120.400 -0.808 0.000 2.966 287 D HA 0.165 4.809 4.640 0.007 0.000 0.222 287 D C -2.271 173.572 176.300 -0.761 0.000 1.292 287 D CA -0.249 53.419 54.000 -0.553 0.000 0.907 287 D CB 1.292 41.863 40.800 -0.381 0.000 1.621 287 D HN 0.727 nan 8.370 nan 0.000 0.557 288 H N 2.448 121.187 119.070 -0.552 0.000 2.877 288 H HA 0.287 4.847 4.556 0.006 0.000 0.347 288 H C -1.509 173.554 175.328 -0.442 0.000 1.042 288 H CA -0.350 55.378 56.048 -0.533 0.000 1.276 288 H CB 1.710 31.166 29.762 -0.508 0.000 1.681 288 H HN 0.518 nan 8.280 nan 0.000 0.521 289 E N 4.819 124.946 120.200 -0.122 0.000 2.081 289 E HA 0.145 4.500 4.350 0.007 0.000 0.276 289 E C -0.066 176.593 176.600 0.098 0.000 0.950 289 E CA -0.495 55.908 56.400 0.005 0.000 0.776 289 E CB 0.482 30.163 29.700 -0.032 0.000 1.094 289 E HN 0.451 nan 8.360 nan 0.000 0.402 290 F N 3.452 123.601 119.950 0.332 0.000 2.293 290 F HA 0.047 4.577 4.527 0.006 0.000 0.297 290 F C 1.032 176.945 175.800 0.189 0.000 1.089 290 F CA 0.473 58.635 58.000 0.270 0.000 1.377 290 F CB 0.117 39.240 39.000 0.205 0.000 1.051 290 F HN 0.510 nan 8.300 nan 0.000 0.511 291 N N -2.099 116.791 118.700 0.318 0.000 3.836 291 N HA -0.081 4.663 4.740 0.007 0.000 0.229 291 N C -0.616 174.962 175.510 0.114 0.000 1.375 291 N CA -0.306 52.853 53.050 0.181 0.000 0.838 291 N CB 0.356 38.944 38.487 0.169 0.000 1.447 291 N HN -0.194 nan 8.380 nan 0.000 0.458 292 D N -0.091 120.345 120.400 0.060 0.000 2.369 292 D HA -0.166 4.478 4.640 0.007 0.000 0.213 292 D C 1.497 177.795 176.300 -0.003 0.000 0.982 292 D CA 2.490 56.507 54.000 0.028 0.000 0.931 292 D CB 0.040 40.849 40.800 0.016 0.000 0.889 292 D HN 0.744 nan 8.370 nan 0.000 0.487 293 T N -2.823 111.702 114.554 -0.049 0.000 3.151 293 T HA 0.062 4.417 4.350 0.007 0.000 0.239 293 T C 0.580 175.195 174.700 -0.141 0.000 0.979 293 T CA -0.378 61.606 62.100 -0.193 0.000 1.194 293 T CB -0.038 68.543 68.868 -0.478 0.000 0.982 293 T HN -0.187 nan 8.240 nan 0.000 0.428 294 F N 2.820 122.879 119.950 0.182 0.000 2.404 294 F HA 0.701 5.235 4.527 0.012 0.000 0.345 294 F C 0.313 176.303 175.800 0.316 0.000 1.110 294 F CA -0.723 57.419 58.000 0.236 0.000 1.130 294 F CB 1.400 40.533 39.000 0.223 0.000 1.129 294 F HN 0.107 nan 8.300 nan 0.000 0.500 295 T N 2.721 117.565 114.554 0.484 0.000 2.933 295 T HA 0.540 4.895 4.350 0.007 0.000 0.305 295 T C -1.334 173.543 174.700 0.296 0.000 1.092 295 T CA -0.666 61.621 62.100 0.312 0.000 1.008 295 T CB 2.101 71.082 68.868 0.189 0.000 1.102 295 T HN 0.442 nan 8.240 nan 0.000 0.469 296 V N 3.216 123.271 119.914 0.234 0.000 2.735 296 V HA 0.785 4.910 4.120 0.007 0.000 0.310 296 V C -1.089 175.141 176.094 0.227 0.000 1.061 296 V CA -0.656 61.801 62.300 0.262 0.000 0.913 296 V CB 1.792 33.836 31.823 0.369 0.000 1.005 296 V HN 0.830 nan 8.190 nan 0.000 0.428 297 R N 3.725 124.365 120.500 0.234 0.000 2.930 297 R HA 0.758 5.103 4.340 0.007 0.000 0.257 297 R C -1.531 174.947 176.300 0.298 0.000 1.107 297 R CA -0.892 55.340 56.100 0.220 0.000 0.999 297 R CB 2.253 32.617 30.300 0.105 0.000 1.209 297 R HN 0.761 nan 8.270 nan 0.000 0.486 298 Q N 1.062 121.045 119.800 0.305 0.000 2.507 298 Q HA 0.218 4.562 4.340 0.007 0.000 0.248 298 Q C -2.096 174.034 176.000 0.216 0.000 0.941 298 Q CA -0.332 55.647 55.803 0.294 0.000 1.003 298 Q CB 1.580 30.561 28.738 0.405 0.000 1.517 298 Q HN 0.717 nan 8.270 nan 0.000 0.443 299 N N 4.313 123.037 118.700 0.040 0.000 2.399 299 N HA 0.598 5.343 4.740 0.007 0.000 0.280 299 N C -1.417 173.919 175.510 -0.290 0.000 1.008 299 N CA -0.521 52.454 53.050 -0.125 0.000 0.894 299 N CB 2.035 40.480 38.487 -0.070 0.000 1.273 299 N HN 0.505 nan 8.380 nan 0.000 0.486 300 L N 2.061 122.913 121.223 -0.618 0.000 2.279 300 L HA 0.718 5.062 4.340 0.007 0.000 0.262 300 L C -1.063 175.573 176.870 -0.391 0.000 1.019 300 L CA -0.621 53.871 54.840 -0.578 0.000 0.823 300 L CB 2.109 43.659 42.059 -0.849 0.000 1.358 300 L HN 0.673 nan 8.230 nan 0.000 0.432 301 R N 1.793 122.169 120.500 -0.207 0.000 3.681 301 R HA 0.306 4.650 4.340 0.007 0.000 0.252 301 R C -2.468 173.920 176.300 0.146 0.000 1.000 301 R CA -0.590 55.482 56.100 -0.046 0.000 1.056 301 R CB 0.554 30.767 30.300 -0.146 0.000 1.243 301 R HN 0.549 nan 8.270 nan 0.000 0.549 302 F N 3.155 123.177 119.950 0.120 0.000 2.565 302 F HA 0.893 5.424 4.527 0.007 0.000 0.313 302 F C -1.599 174.255 175.800 0.091 0.000 1.091 302 F CA 0.059 58.182 58.000 0.205 0.000 0.915 302 F CB 2.507 41.684 39.000 0.295 0.000 1.208 302 F HN 0.768 nan 8.300 nan 0.000 0.453 303 A N 4.541 126.751 122.820 -1.017 0.000 2.517 303 A HA 0.559 4.883 4.320 0.007 0.000 0.297 303 A C -1.729 175.444 177.584 -0.686 0.000 1.050 303 A CA -0.660 50.987 52.037 -0.651 0.000 0.694 303 A CB 1.524 20.337 19.000 -0.312 0.000 1.277 303 A HN 0.824 nan 8.150 nan 0.000 0.400 304 E N 1.826 121.824 120.200 -0.337 0.000 2.158 304 E HA 0.551 4.905 4.350 0.007 0.000 0.271 304 E C -1.218 175.365 176.600 -0.030 0.000 0.911 304 E CA -0.674 55.647 56.400 -0.131 0.000 0.767 304 E CB 0.847 30.580 29.700 0.056 0.000 1.120 304 E HN 0.644 nan 8.360 nan 0.000 0.405 305 N N 3.385 122.079 118.700 -0.009 0.000 2.225 305 N HA 0.421 5.165 4.740 0.007 0.000 0.298 305 N C -1.392 174.156 175.510 0.064 0.000 1.076 305 N CA -0.708 52.361 53.050 0.032 0.000 0.792 305 N CB 1.936 40.433 38.487 0.017 0.000 1.498 305 N HN 0.372 nan 8.380 nan 0.000 0.474 306 K N 0.163 120.612 120.400 0.081 0.000 2.385 306 K HA 0.751 5.076 4.320 0.007 0.000 0.248 306 K C -1.017 175.643 176.600 0.101 0.000 0.955 306 K CA -0.720 55.621 56.287 0.091 0.000 0.816 306 K CB 2.258 34.809 32.500 0.085 0.000 1.250 306 K HN 0.334 nan 8.250 nan 0.000 0.434 307 T N 0.934 115.552 114.554 0.107 0.000 3.293 307 T HA 0.264 4.619 4.350 0.007 0.000 0.320 307 T C -1.108 173.621 174.700 0.049 0.000 0.995 307 T CA -0.649 61.520 62.100 0.114 0.000 1.041 307 T CB 1.290 70.272 68.868 0.190 0.000 1.058 307 T HN 0.460 nan 8.240 nan 0.000 0.453 308 S N 2.927 118.626 115.700 -0.001 0.000 2.593 308 S HA 0.766 5.240 4.470 0.007 0.000 0.297 308 S C -0.733 173.722 174.600 -0.241 0.000 1.112 308 S CA -0.864 57.286 58.200 -0.085 0.000 1.043 308 S CB 1.851 65.020 63.200 -0.052 0.000 1.054 308 S HN 0.758 nan 8.310 nan 0.000 0.516 309 Q N 1.814 121.396 119.800 -0.364 0.000 2.378 309 Q HA 0.279 4.623 4.340 0.007 0.000 0.262 309 Q C -2.138 173.530 176.000 -0.552 0.000 0.978 309 Q CA -0.513 54.923 55.803 -0.610 0.000 0.918 309 Q CB 1.136 29.217 28.738 -1.094 0.000 1.415 309 Q HN 0.634 nan 8.270 nan 0.000 0.409 310 N N 2.199 120.535 118.700 -0.606 0.000 2.841 310 N HA 0.284 5.028 4.740 0.007 0.000 0.257 310 N C -1.625 173.393 175.510 -0.819 0.000 1.396 310 N CA -0.061 52.427 53.050 -0.936 0.000 0.823 310 N CB 1.767 39.593 38.487 -1.101 0.000 1.162 310 N HN 0.375 nan 8.380 nan 0.000 0.503 311 S N 0.103 115.521 115.700 -0.471 0.000 2.537 311 S HA 0.556 5.031 4.470 0.007 0.000 0.301 311 S C 0.073 174.739 174.600 0.110 0.000 1.092 311 S CA -0.536 57.584 58.200 -0.133 0.000 1.048 311 S CB 2.484 65.591 63.200 -0.155 0.000 1.053 311 S HN 0.058 nan 8.310 nan 0.000 0.501 312 V N 4.260 124.257 119.914 0.138 0.000 2.340 312 V HA 0.335 4.460 4.120 0.007 0.000 0.277 312 V C -0.901 175.243 176.094 0.084 0.000 1.017 312 V CA -0.778 61.544 62.300 0.036 0.000 0.820 312 V CB -0.164 31.502 31.823 -0.263 0.000 1.028 312 V HN 0.852 nan 8.190 nan 0.000 0.436 313 Y N 2.117 122.360 120.300 -0.095 0.000 2.408 313 Y HA 0.894 5.448 4.550 0.007 0.000 0.324 313 Y C 0.615 176.519 175.900 0.007 0.000 1.302 313 Y CA -1.889 56.142 58.100 -0.115 0.000 1.384 313 Y CB 0.777 38.967 38.460 -0.449 0.000 1.367 313 Y HN 0.509 nan 8.280 nan 0.000 0.525 314 G N 0.535 109.437 108.800 0.170 0.000 2.502 314 G HA2 0.375 4.339 3.960 0.007 0.000 0.311 314 G HA3 0.375 4.339 3.960 0.007 0.000 0.311 314 G C -2.037 173.073 174.900 0.351 0.000 1.270 314 G CA -0.611 44.596 45.100 0.178 0.000 0.948 314 G HN 0.602 nan 8.290 nan 0.000 0.487 315 Y N 2.191 122.541 120.300 0.083 0.000 2.377 315 Y HA 0.394 4.949 4.550 0.007 0.000 0.330 315 Y C 1.512 177.500 175.900 0.148 0.000 1.108 315 Y CA 0.832 59.042 58.100 0.183 0.000 1.308 315 Y CB 1.076 39.522 38.460 -0.023 0.000 1.216 315 Y HN 0.813 nan 8.280 nan 0.000 0.518 316 G N 2.876 111.812 108.800 0.227 0.000 3.748 316 G HA2 0.004 3.969 3.960 0.007 0.000 0.279 316 G HA3 0.004 3.969 3.960 0.007 0.000 0.279 316 G C -0.057 174.918 174.900 0.125 0.000 1.302 316 G CA -0.176 45.017 45.100 0.155 0.000 0.919 316 G HN 0.935 nan 8.290 nan 0.000 0.638 317 V N -1.900 118.057 119.914 0.073 0.000 3.332 317 V HA 0.054 4.178 4.120 0.007 0.000 0.305 317 V C 1.741 177.883 176.094 0.080 0.000 1.114 317 V CA 0.075 62.421 62.300 0.075 0.000 1.194 317 V CB 0.130 31.977 31.823 0.040 0.000 1.027 317 V HN 0.842 nan 8.190 nan 0.000 0.492 318 c N 1.908 120.565 118.600 0.094 0.000 2.403 318 c HA -0.113 4.461 4.570 0.007 0.000 0.279 318 c C 2.912 177.025 174.090 0.039 0.000 1.269 318 c CA 1.773 58.144 56.329 0.071 0.000 1.774 318 c CB -1.561 40.990 42.510 0.069 0.000 1.993 318 c HN 1.172 nan 8.230 nan 0.000 0.496 319 S N -0.473 115.241 115.700 0.023 0.000 2.720 319 S HA -0.017 4.457 4.470 0.007 0.000 0.222 319 S C 0.105 174.711 174.600 0.011 0.000 0.958 319 S CA 0.192 58.397 58.200 0.008 0.000 0.943 319 S CB -0.499 62.696 63.200 -0.008 0.000 0.779 319 S HN 0.674 nan 8.310 nan 0.000 0.526 320 D N 2.116 122.530 120.400 0.024 0.000 2.256 320 D HA 0.238 4.883 4.640 0.007 0.000 0.250 320 D C -1.874 174.447 176.300 0.034 0.000 1.093 320 D CA -2.049 51.967 54.000 0.026 0.000 0.882 320 D CB 1.783 42.609 40.800 0.043 0.000 1.185 320 D HN -0.032 nan 8.370 nan 0.000 0.437 321 P HA -0.117 nan 4.420 nan 0.000 0.220 321 P C 0.745 178.056 177.300 0.017 0.000 1.144 321 P CA 0.953 64.070 63.100 0.028 0.000 0.800 321 P CB 0.241 31.962 31.700 0.035 0.000 0.772 322 A N -0.512 122.330 122.820 0.037 0.000 2.014 322 A HA -0.119 4.205 4.320 0.007 0.000 0.218 322 A C 1.800 179.398 177.584 0.023 0.000 1.163 322 A CA 1.306 53.362 52.037 0.033 0.000 0.652 322 A CB -0.783 18.183 19.000 -0.056 0.000 0.808 322 A HN 0.169 nan 8.150 nan 0.000 0.449 323 N N -0.170 118.552 118.700 0.035 0.000 2.235 323 N HA 0.243 4.987 4.740 0.007 0.000 0.209 323 N C 1.426 176.968 175.510 0.054 0.000 1.122 323 N CA 0.711 53.778 53.050 0.029 0.000 0.845 323 N CB 0.297 38.815 38.487 0.051 0.000 1.004 323 N HN 0.426 nan 8.380 nan 0.000 0.499 324 A N 0.588 123.440 122.820 0.052 0.000 1.903 324 A HA -0.175 4.149 4.320 0.007 0.000 0.219 324 A C 1.329 179.105 177.584 0.321 0.000 1.191 324 A CA 1.171 53.296 52.037 0.146 0.000 0.638 324 A CB -0.878 18.199 19.000 0.129 0.000 0.823 324 A HN 0.463 nan 8.150 nan 0.000 0.451 325 Y N -0.105 120.196 120.300 0.003 0.000 2.496 325 Y HA 0.197 4.752 4.550 0.007 0.000 0.313 325 Y C 1.081 176.975 175.900 -0.010 0.000 1.184 325 Y CA -0.201 57.897 58.100 -0.003 0.000 1.275 325 Y CB 0.048 38.505 38.460 -0.005 0.000 1.103 325 Y HN 0.260 nan 8.280 nan 0.000 0.513 326 S N 0.915 116.698 115.700 0.138 0.000 2.452 326 S HA 0.173 4.647 4.470 0.007 0.000 0.284 326 S C 0.881 175.511 174.600 0.049 0.000 1.171 326 S CA -0.692 57.549 58.200 0.069 0.000 1.064 326 S CB 1.020 64.243 63.200 0.040 0.000 0.967 326 S HN 0.395 nan 8.310 nan 0.000 0.484 327 K N 3.415 123.838 120.400 0.038 0.000 1.980 327 K HA -0.058 4.267 4.320 0.007 0.000 0.208 327 K C 2.226 178.835 176.600 0.014 0.000 1.043 327 K CA 1.157 57.457 56.287 0.021 0.000 0.938 327 K CB -0.304 32.208 32.500 0.020 0.000 0.724 327 K HN 0.691 nan 8.250 nan 0.000 0.438 328 Q N 0.467 120.280 119.800 0.021 0.000 2.118 328 Q HA -0.275 4.069 4.340 0.007 0.000 0.211 328 Q C 2.416 178.418 176.000 0.003 0.000 0.998 328 Q CA 1.859 57.673 55.803 0.019 0.000 0.872 328 Q CB -0.465 28.296 28.738 0.039 0.000 0.925 328 Q HN 0.393 nan 8.270 nan 0.000 0.414 329 c N 0.324 118.932 118.600 0.014 0.000 2.455 329 c HA -0.033 4.542 4.570 0.007 0.000 0.281 329 c C 1.738 175.814 174.090 -0.024 0.000 1.237 329 c CA 0.405 56.736 56.329 0.003 0.000 1.726 329 c CB -0.903 41.624 42.510 0.029 0.000 2.068 329 c HN 0.555 nan 8.230 nan 0.000 0.466 330 A N -0.159 122.659 122.820 -0.004 0.000 2.981 330 A HA 0.519 4.843 4.320 0.007 0.000 0.280 330 A C 0.612 178.182 177.584 -0.023 0.000 1.797 330 A CA 0.992 53.023 52.037 -0.010 0.000 1.456 330 A CB -0.775 18.232 19.000 0.011 0.000 1.057 330 A HN 1.058 nan 8.150 nan 0.000 0.602 331 A N 1.672 124.465 122.820 -0.045 0.000 2.423 331 A HA 0.408 4.732 4.320 0.007 0.000 0.210 331 A C -0.315 177.223 177.584 -0.077 0.000 2.187 331 A CA -0.289 51.720 52.037 -0.048 0.000 1.488 331 A CB -0.608 18.371 19.000 -0.034 0.000 0.837 331 A HN 0.590 nan 8.150 nan 0.000 0.547 332 L N -0.503 120.657 121.223 -0.106 0.000 2.354 332 L HA 0.877 5.221 4.340 0.007 0.000 0.264 332 L C 0.617 177.414 176.870 -0.123 0.000 1.008 332 L CA -1.147 53.599 54.840 -0.156 0.000 0.819 332 L CB 1.848 43.733 42.059 -0.291 0.000 1.339 332 L HN 0.227 nan 8.230 nan 0.000 0.420 333 A N 1.626 124.379 122.820 -0.113 0.000 2.548 333 A HA 0.247 4.571 4.320 0.007 0.000 0.247 333 A C -1.598 175.934 177.584 -0.088 0.000 1.067 333 A CA -0.756 51.235 52.037 -0.077 0.000 0.757 333 A CB -0.304 18.664 19.000 -0.053 0.000 0.996 333 A HN 0.661 nan 8.150 nan 0.000 0.504 334 P HA -0.286 nan 4.420 nan 0.000 0.218 334 P C 1.572 178.832 177.300 -0.067 0.000 1.147 334 P CA 2.293 65.358 63.100 -0.058 0.000 0.827 334 P CB 0.192 31.872 31.700 -0.034 0.000 0.778 335 A N -0.746 122.040 122.820 -0.058 0.000 1.930 335 A HA -0.202 4.122 4.320 0.007 0.000 0.217 335 A C 2.054 179.562 177.584 -0.127 0.000 1.175 335 A CA 1.815 53.823 52.037 -0.048 0.000 0.627 335 A CB -1.020 17.978 19.000 -0.003 0.000 0.815 335 A HN 0.119 nan 8.150 nan 0.000 0.443 336 D N -0.159 120.135 120.400 -0.177 0.000 2.103 336 D HA -0.090 4.554 4.640 0.007 0.000 0.199 336 D C 1.707 177.787 176.300 -0.367 0.000 0.978 336 D CA 1.078 54.864 54.000 -0.358 0.000 0.829 336 D CB -0.322 40.313 40.800 -0.276 0.000 0.981 336 D HN 0.407 nan 8.370 nan 0.000 0.464 337 K N 0.459 120.734 120.400 -0.209 0.000 2.227 337 K HA -0.202 4.122 4.320 0.007 0.000 0.208 337 K C 2.032 178.600 176.600 -0.052 0.000 1.045 337 K CA 1.405 57.632 56.287 -0.099 0.000 0.931 337 K CB -0.373 32.084 32.500 -0.071 0.000 0.721 337 K HN 0.147 nan 8.250 nan 0.000 0.469 338 G N 0.927 109.660 108.800 -0.112 0.000 2.443 338 G HA2 -0.212 3.752 3.960 0.007 0.000 0.219 338 G HA3 -0.212 3.752 3.960 0.007 0.000 0.219 338 G C 0.856 175.768 174.900 0.020 0.000 1.131 338 G CA 1.085 46.157 45.100 -0.048 0.000 0.775 338 G HN 0.568 nan 8.290 nan 0.000 0.547 339 H N -3.241 115.900 119.070 0.119 0.000 2.481 339 H HA 0.550 5.110 4.556 0.007 0.000 0.273 339 H C -1.155 174.191 175.328 0.030 0.000 1.145 339 H CA -1.736 54.344 56.048 0.055 0.000 0.964 339 H CB -0.825 28.950 29.762 0.022 0.000 1.722 339 H HN 0.233 nan 8.280 nan 0.000 0.573 340 Y N 0.644 120.985 120.300 0.069 0.000 2.391 340 Y HA 0.400 4.954 4.550 0.007 0.000 0.341 340 Y C -0.978 174.962 175.900 0.067 0.000 0.965 340 Y CA -1.374 56.780 58.100 0.090 0.000 1.067 340 Y CB 2.076 40.557 38.460 0.035 0.000 1.199 340 Y HN 0.279 nan 8.280 nan 0.000 0.450 341 L N 3.753 125.073 121.223 0.161 0.000 2.295 341 L HA 0.848 5.193 4.340 0.007 0.000 0.285 341 L C -0.102 176.862 176.870 0.158 0.000 1.035 341 L CA -0.249 54.678 54.840 0.145 0.000 0.806 341 L CB 0.965 43.101 42.059 0.128 0.000 1.214 341 L HN 0.716 nan 8.230 nan 0.000 0.426 342 A N 5.427 128.334 122.820 0.144 0.000 2.280 342 A HA 0.846 5.170 4.320 0.007 0.000 0.268 342 A C -0.331 177.307 177.584 0.090 0.000 1.111 342 A CA -0.285 51.820 52.037 0.113 0.000 0.814 342 A CB 0.419 19.480 19.000 0.103 0.000 1.093 342 A HN 0.788 nan 8.150 nan 0.000 0.498 343 R N -0.536 119.973 120.500 0.016 0.000 2.579 343 R HA 0.406 4.750 4.340 0.007 0.000 0.260 343 R C -1.301 174.888 176.300 -0.185 0.000 1.103 343 R CA -0.499 55.552 56.100 -0.081 0.000 0.942 343 R CB 2.213 32.492 30.300 -0.035 0.000 1.251 343 R HN 0.829 nan 8.270 nan 0.000 0.450 344 K N 1.148 121.286 120.400 -0.436 0.000 2.261 344 K HA 0.585 4.909 4.320 0.007 0.000 0.242 344 K C -1.244 175.121 176.600 -0.391 0.000 1.083 344 K CA -0.921 55.118 56.287 -0.414 0.000 0.880 344 K CB 1.749 33.960 32.500 -0.482 0.000 1.353 344 K HN 0.490 nan 8.250 nan 0.000 0.486 345 Y N -2.960 117.220 120.300 -0.201 0.000 2.829 345 Y HA 0.805 5.359 4.550 0.007 0.000 0.322 345 Y C -1.516 174.401 175.900 0.028 0.000 1.357 345 Y CA -1.275 56.795 58.100 -0.049 0.000 1.081 345 Y CB 1.188 39.552 38.460 -0.160 0.000 1.339 345 Y HN 0.258 nan 8.280 nan 0.000 0.469 346 V N 1.182 121.247 119.914 0.252 0.000 2.882 346 V HA 0.670 4.795 4.120 0.007 0.000 0.295 346 V C -2.168 173.869 176.094 -0.095 0.000 1.273 346 V CA -0.567 61.600 62.300 -0.220 0.000 0.949 346 V CB 1.851 33.259 31.823 -0.693 0.000 1.071 346 V HN 0.876 nan 8.190 nan 0.000 0.432 347 V N 5.453 125.352 119.914 -0.025 0.000 2.487 347 V HA 0.739 4.863 4.120 0.007 0.000 0.298 347 V C -0.853 175.219 176.094 -0.036 0.000 1.028 347 V CA -0.210 62.060 62.300 -0.050 0.000 0.860 347 V CB 1.825 33.729 31.823 0.135 0.000 0.991 347 V HN 1.062 nan 8.190 nan 0.000 0.427 348 D N 2.448 122.771 120.400 -0.128 0.000 2.966 348 D HA 0.440 5.084 4.640 0.007 0.000 0.222 348 D C -1.659 174.636 176.300 -0.008 0.000 1.292 348 D CA -0.323 53.667 54.000 -0.017 0.000 0.907 348 D CB 2.097 42.850 40.800 -0.078 0.000 1.621 348 D HN 0.555 nan 8.370 nan 0.000 0.557 349 D N 2.563 123.016 120.400 0.089 0.000 2.425 349 D HA 0.385 5.029 4.640 0.007 0.000 0.240 349 D C -1.089 175.292 176.300 0.135 0.000 1.080 349 D CA -0.266 53.782 54.000 0.081 0.000 0.836 349 D CB 1.051 41.897 40.800 0.075 0.000 1.125 349 D HN 0.334 nan 8.370 nan 0.000 0.525 350 E N 2.464 122.744 120.200 0.133 0.000 2.317 350 E HA 0.481 4.835 4.350 0.007 0.000 0.270 350 E C -0.872 175.805 176.600 0.127 0.000 0.885 350 E CA -1.087 55.410 56.400 0.163 0.000 0.760 350 E CB 2.749 32.586 29.700 0.229 0.000 1.227 350 E HN 0.218 nan 8.360 nan 0.000 0.434 351 K N 2.370 122.841 120.400 0.119 0.000 2.523 351 K HA 0.559 4.884 4.320 0.007 0.000 0.257 351 K C -2.011 174.643 176.600 0.090 0.000 0.932 351 K CA -0.742 55.604 56.287 0.098 0.000 0.812 351 K CB 1.525 34.081 32.500 0.093 0.000 1.326 351 K HN 0.424 nan 8.250 nan 0.000 0.433 352 L N 0.750 122.015 121.223 0.069 0.000 2.556 352 L HA 0.505 4.849 4.340 0.007 0.000 0.257 352 L C -1.884 174.989 176.870 0.004 0.000 0.955 352 L CA -0.554 54.315 54.840 0.049 0.000 0.850 352 L CB 2.099 44.183 42.059 0.042 0.000 1.398 352 L HN 0.607 nan 8.230 nan 0.000 0.412 353 Q N 2.051 121.855 119.800 0.006 0.000 2.348 353 Q HA 0.504 4.848 4.340 0.007 0.000 0.271 353 Q C -1.463 174.482 176.000 -0.092 0.000 1.067 353 Q CA -0.547 55.204 55.803 -0.086 0.000 0.839 353 Q CB 2.395 31.215 28.738 0.138 0.000 1.354 353 Q HN 0.876 nan 8.270 nan 0.000 0.447 354 N N 1.075 119.627 118.700 -0.246 0.000 2.572 354 N HA 0.345 5.089 4.740 0.007 0.000 0.287 354 N C -1.903 173.602 175.510 -0.008 0.000 1.136 354 N CA -0.240 52.746 53.050 -0.106 0.000 0.900 354 N CB 1.142 39.532 38.487 -0.162 0.000 1.484 354 N HN 0.437 nan 8.380 nan 0.000 0.526 355 F N 3.131 123.124 119.950 0.072 0.000 2.470 355 F HA 0.691 5.223 4.527 0.007 0.000 0.329 355 F C -0.880 174.964 175.800 0.073 0.000 1.072 355 F CA -0.240 57.882 58.000 0.204 0.000 0.989 355 F CB 1.639 40.862 39.000 0.370 0.000 1.193 355 F HN 0.388 nan 8.300 nan 0.000 0.481 356 S N 4.207 119.180 115.700 -1.211 0.000 2.582 356 S HA 0.564 5.038 4.470 0.007 0.000 0.287 356 S C -1.614 172.480 174.600 -0.845 0.000 1.146 356 S CA -0.853 56.818 58.200 -0.882 0.000 0.941 356 S CB 0.611 63.557 63.200 -0.423 0.000 1.115 356 S HN 0.853 nan 8.310 nan 0.000 0.458 357 V N 1.234 120.838 119.914 -0.517 0.000 3.001 357 V HA 0.890 5.014 4.120 0.007 0.000 0.314 357 V C -1.857 174.223 176.094 -0.024 0.000 1.099 357 V CA -0.494 61.677 62.300 -0.215 0.000 0.989 357 V CB 2.244 34.077 31.823 0.018 0.000 1.040 357 V HN 1.071 nan 8.190 nan 0.000 0.434 358 D N 2.279 122.697 120.400 0.030 0.000 2.365 358 D HA 0.350 4.994 4.640 0.007 0.000 0.235 358 D C -0.900 175.483 176.300 0.138 0.000 1.368 358 D CA -0.084 53.980 54.000 0.108 0.000 1.001 358 D CB 1.637 42.495 40.800 0.097 0.000 1.364 358 D HN 0.583 nan 8.370 nan 0.000 0.577 359 T N 3.096 117.742 114.554 0.153 0.000 2.744 359 T HA 0.485 4.839 4.350 0.007 0.000 0.291 359 T C 0.221 174.999 174.700 0.129 0.000 0.957 359 T CA -0.602 61.589 62.100 0.151 0.000 1.002 359 T CB 1.452 70.400 68.868 0.133 0.000 0.919 359 T HN 0.262 nan 8.240 nan 0.000 0.468 360 Q N 1.488 121.375 119.800 0.146 0.000 2.351 360 Q HA 0.715 5.060 4.340 0.007 0.000 0.273 360 Q C -1.300 174.776 176.000 0.125 0.000 1.077 360 Q CA -1.140 54.737 55.803 0.123 0.000 0.843 360 Q CB 2.221 31.062 28.738 0.172 0.000 1.367 360 Q HN 0.417 nan 8.270 nan 0.000 0.449 361 L N 1.830 123.113 121.223 0.099 0.000 2.485 361 L HA 0.253 4.597 4.340 0.007 0.000 0.260 361 L C -1.292 175.675 176.870 0.163 0.000 0.998 361 L CA -0.048 54.873 54.840 0.134 0.000 0.883 361 L CB 1.698 43.806 42.059 0.082 0.000 1.196 361 L HN 0.599 nan 8.230 nan 0.000 0.443 362 Q N 2.786 122.705 119.800 0.198 0.000 2.286 362 Q HA 0.582 4.927 4.340 0.007 0.000 0.257 362 Q C -1.124 175.023 176.000 0.245 0.000 0.941 362 Q CA -0.088 55.826 55.803 0.185 0.000 0.912 362 Q CB 0.924 29.761 28.738 0.165 0.000 1.192 362 Q HN 0.722 nan 8.270 nan 0.000 0.410 363 S N 4.177 119.991 115.700 0.190 0.000 2.789 363 S HA 0.348 4.822 4.470 0.007 0.000 0.286 363 S C -1.300 173.281 174.600 -0.032 0.000 1.153 363 S CA -0.808 57.508 58.200 0.194 0.000 1.084 363 S CB 1.142 64.580 63.200 0.397 0.000 1.036 363 S HN 0.521 nan 8.310 nan 0.000 0.484 364 K N 2.956 123.322 120.400 -0.057 0.000 2.211 364 K HA 0.663 4.987 4.320 0.007 0.000 0.275 364 K C -0.828 175.738 176.600 -0.056 0.000 1.024 364 K CA -0.458 55.754 56.287 -0.125 0.000 0.887 364 K CB 0.818 33.289 32.500 -0.049 0.000 1.084 364 K HN 0.569 nan 8.250 nan 0.000 0.463 365 F N -0.275 119.678 119.950 0.005 0.000 2.685 365 F HA 0.762 5.292 4.527 0.004 0.000 0.315 365 F C -0.934 174.875 175.800 0.015 0.000 1.126 365 F CA -1.579 56.397 58.000 -0.040 0.000 0.950 365 F CB 0.462 39.402 39.000 -0.100 0.000 1.360 365 F HN 0.457 nan 8.300 nan 0.000 0.469 366 A N 0.292 123.338 122.820 0.376 0.000 2.378 366 A HA 0.987 5.311 4.320 0.007 0.000 0.293 366 A C 0.140 177.843 177.584 0.198 0.000 1.250 366 A CA 0.314 52.500 52.037 0.249 0.000 0.915 366 A CB 0.509 19.572 19.000 0.106 0.000 1.402 366 A HN 1.538 nan 8.150 nan 0.000 0.502 367 T N -4.329 110.283 114.554 0.097 0.000 3.055 367 T HA 0.367 4.721 4.350 0.007 0.000 0.121 367 T C 1.265 175.955 174.700 -0.017 0.000 0.712 367 T CA 0.465 62.574 62.100 0.014 0.000 0.799 367 T CB -0.581 68.318 68.868 0.052 0.000 1.605 367 T HN 1.411 nan 8.240 nan 0.000 0.282 368 G N 0.792 109.560 108.800 -0.053 0.000 3.056 368 G HA2 0.320 4.284 3.960 0.007 0.000 0.175 368 G HA3 0.320 4.284 3.960 0.007 0.000 0.175 368 G C 0.108 174.954 174.900 -0.089 0.000 1.894 368 G CA 0.639 45.678 45.100 -0.102 0.000 0.910 368 G HN 0.630 nan 8.290 nan 0.000 0.462 369 D N 0.674 120.969 120.400 -0.174 0.000 2.363 369 D HA 0.106 4.750 4.640 0.007 0.000 0.214 369 D C 0.642 176.880 176.300 -0.102 0.000 1.093 369 D CA -0.134 53.818 54.000 -0.080 0.000 0.837 369 D CB 0.576 41.394 40.800 0.030 0.000 0.948 369 D HN 0.240 nan 8.370 nan 0.000 0.507 370 I N -0.779 119.673 120.570 -0.196 0.000 2.392 370 I HA 0.423 4.597 4.170 0.007 0.000 0.295 370 I C -0.254 175.880 176.117 0.028 0.000 0.985 370 I CA -0.415 60.811 61.300 -0.123 0.000 1.221 370 I CB 1.448 39.307 38.000 -0.235 0.000 1.366 370 I HN -0.340 nan 8.210 nan 0.000 0.467 371 D N 4.782 125.184 120.400 0.004 0.000 2.229 371 D HA 0.435 5.080 4.640 0.007 0.000 0.249 371 D C -0.687 175.563 176.300 -0.084 0.000 1.027 371 D CA -0.007 54.019 54.000 0.042 0.000 0.923 371 D CB 1.309 42.114 40.800 0.008 0.000 1.174 371 D HN 0.605 nan 8.370 nan 0.000 0.443 372 H N -0.875 118.093 119.070 -0.169 0.000 2.622 372 H HA 0.495 5.054 4.556 0.006 0.000 0.363 372 H C -0.512 174.575 175.328 -0.403 0.000 1.151 372 H CA -0.420 55.404 56.048 -0.374 0.000 1.184 372 H CB 1.803 31.039 29.762 -0.876 0.000 1.643 372 H HN 0.023 nan 8.280 nan 0.000 0.531 373 T N 3.261 117.692 114.554 -0.206 0.000 3.198 373 T HA 0.180 4.535 4.350 0.007 0.000 0.352 373 T C -0.910 173.734 174.700 -0.095 0.000 1.197 373 T CA -0.563 61.454 62.100 -0.138 0.000 1.427 373 T CB 0.008 68.831 68.868 -0.076 0.000 0.983 373 T HN 0.187 nan 8.240 nan 0.000 0.560 374 L N 3.622 124.766 121.223 -0.131 0.000 2.276 374 L HA 0.751 5.095 4.340 0.007 0.000 0.286 374 L C -0.945 175.963 176.870 0.063 0.000 1.061 374 L CA -0.737 54.094 54.840 -0.015 0.000 0.807 374 L CB 0.841 42.895 42.059 -0.009 0.000 1.177 374 L HN 0.454 nan 8.230 nan 0.000 0.429 375 L N 4.706 125.982 121.223 0.090 0.000 2.346 375 L HA 0.813 5.157 4.340 0.007 0.000 0.276 375 L C -0.661 176.238 176.870 0.048 0.000 1.006 375 L CA 0.132 55.034 54.840 0.103 0.000 0.817 375 L CB 2.071 44.222 42.059 0.153 0.000 1.272 375 L HN 0.811 nan 8.230 nan 0.000 0.421 376 T N 1.335 115.865 114.554 -0.040 0.000 2.991 376 T HA 0.903 5.257 4.350 0.007 0.000 0.303 376 T C -0.370 174.119 174.700 -0.353 0.000 1.015 376 T CA -0.382 61.601 62.100 -0.194 0.000 1.007 376 T CB 1.437 70.271 68.868 -0.057 0.000 1.034 376 T HN 0.942 nan 8.240 nan 0.000 0.446 377 G N 0.648 108.965 108.800 -0.806 0.000 2.684 377 G HA2 0.643 4.607 3.960 0.007 0.000 0.290 377 G HA3 0.643 4.607 3.960 0.007 0.000 0.290 377 G C -1.802 172.895 174.900 -0.337 0.000 1.425 377 G CA -0.865 43.886 45.100 -0.581 0.000 0.822 377 G HN 0.877 nan 8.290 nan 0.000 0.482 378 V N 1.030 120.952 119.914 0.012 0.000 2.483 378 V HA 0.498 4.622 4.120 0.007 0.000 0.297 378 V C -1.145 175.105 176.094 0.260 0.000 1.027 378 V CA -0.805 61.594 62.300 0.165 0.000 0.855 378 V CB 1.723 33.625 31.823 0.132 0.000 0.995 378 V HN 0.757 nan 8.190 nan 0.000 0.424 379 D N 3.713 124.308 120.400 0.326 0.000 2.391 379 D HA 0.416 5.061 4.640 0.007 0.000 0.245 379 D C -1.580 174.886 176.300 0.277 0.000 1.069 379 D CA -0.257 53.903 54.000 0.268 0.000 0.831 379 D CB 1.925 42.861 40.800 0.228 0.000 1.204 379 D HN 0.396 nan 8.370 nan 0.000 0.503 380 F N 4.824 124.832 119.950 0.097 0.000 2.520 380 F HA 0.557 5.088 4.527 0.007 0.000 0.322 380 F C -1.107 174.708 175.800 0.025 0.000 1.103 380 F CA -0.794 57.263 58.000 0.095 0.000 0.926 380 F CB 1.713 40.789 39.000 0.126 0.000 1.154 380 F HN 0.196 nan 8.300 nan 0.000 0.453 381 M N 7.905 126.703 119.600 -1.336 0.000 2.322 381 M HA 0.430 4.914 4.480 0.007 0.000 0.286 381 M C -2.084 173.676 176.300 -0.901 0.000 1.111 381 M CA -0.388 54.392 55.300 -0.867 0.000 0.941 381 M CB 2.247 34.611 32.600 -0.394 0.000 1.671 381 M HN 0.893 nan 8.290 nan 0.000 0.470 382 R N 5.388 125.635 120.500 -0.422 0.000 2.621 382 R HA 0.813 5.158 4.340 0.007 0.000 0.284 382 R C -1.899 174.414 176.300 0.021 0.000 0.998 382 R CA -0.409 55.644 56.100 -0.079 0.000 0.895 382 R CB 2.030 32.484 30.300 0.256 0.000 1.195 382 R HN 0.888 nan 8.270 nan 0.000 0.450 383 M N 2.180 121.797 119.600 0.028 0.000 2.520 383 M HA 0.559 5.044 4.480 0.007 0.000 0.283 383 M C -1.933 174.397 176.300 0.049 0.000 1.237 383 M CA -0.593 54.724 55.300 0.028 0.000 0.885 383 M CB 2.217 34.798 32.600 -0.031 0.000 1.727 383 M HN 0.636 nan 8.290 nan 0.000 0.468 384 R N 2.450 122.982 120.500 0.054 0.000 2.548 384 R HA 0.648 4.992 4.340 0.007 0.000 0.280 384 R C -2.182 174.152 176.300 0.057 0.000 1.061 384 R CA -0.467 55.670 56.100 0.061 0.000 0.915 384 R CB 1.598 31.947 30.300 0.083 0.000 1.210 384 R HN 0.999 nan 8.270 nan 0.000 0.442 385 N N 1.906 120.640 118.700 0.058 0.000 2.352 385 N HA 0.188 4.932 4.740 0.007 0.000 0.291 385 N C -1.936 173.618 175.510 0.074 0.000 1.040 385 N CA -0.577 52.517 53.050 0.073 0.000 0.864 385 N CB 1.964 40.504 38.487 0.087 0.000 1.440 385 N HN 0.589 nan 8.380 nan 0.000 0.483 386 D N 3.709 124.161 120.400 0.086 0.000 2.280 386 D HA 0.344 4.988 4.640 0.007 0.000 0.236 386 D C -0.527 175.840 176.300 0.111 0.000 1.082 386 D CA -0.237 53.812 54.000 0.081 0.000 0.834 386 D CB 0.699 41.546 40.800 0.079 0.000 1.100 386 D HN 0.483 nan 8.370 nan 0.000 0.486 387 I N 2.931 123.564 120.570 0.105 0.000 2.493 387 I HA 0.366 4.540 4.170 0.007 0.000 0.298 387 I C 0.219 176.441 176.117 0.176 0.000 0.998 387 I CA -0.846 60.556 61.300 0.170 0.000 1.137 387 I CB 1.750 39.853 38.000 0.171 0.000 1.310 387 I HN 0.355 nan 8.210 nan 0.000 0.445 388 N N 4.325 123.163 118.700 0.231 0.000 2.725 388 N HA 0.548 5.292 4.740 0.007 0.000 0.248 388 N C -1.089 174.610 175.510 0.315 0.000 1.402 388 N CA -0.147 53.044 53.050 0.236 0.000 0.766 388 N CB 0.910 39.503 38.487 0.177 0.000 1.223 388 N HN 0.819 nan 8.380 nan 0.000 0.515 389 A N 1.657 124.742 122.820 0.441 0.000 2.309 389 A HA 0.693 5.017 4.320 0.007 0.000 0.317 389 A C -1.660 176.292 177.584 0.615 0.000 1.134 389 A CA -0.572 51.776 52.037 0.519 0.000 0.866 389 A CB 1.264 20.702 19.000 0.730 0.000 1.329 389 A HN 0.586 nan 8.150 nan 0.000 0.477 390 W N 0.683 122.206 121.300 0.371 0.000 3.439 390 W HA 0.605 5.269 4.660 0.007 0.000 0.323 390 W C -2.823 173.842 176.519 0.245 0.000 1.174 390 W CA -0.837 56.726 57.345 0.364 0.000 1.224 390 W CB 1.706 31.316 29.460 0.248 0.000 1.348 390 W HN 0.534 nan 8.180 nan 0.000 0.498 391 F N 1.926 121.786 119.950 -0.149 0.000 2.594 391 F HA 0.843 5.374 4.527 0.007 0.000 0.335 391 F C 0.864 176.215 175.800 -0.748 0.000 1.058 391 F CA -0.787 57.060 58.000 -0.254 0.000 0.981 391 F CB 1.862 40.839 39.000 -0.038 0.000 1.289 391 F HN 0.286 nan 8.300 nan 0.000 0.490 392 G N -0.038 108.276 108.800 -0.811 0.000 2.524 392 G HA2 0.615 4.579 3.960 0.007 0.000 0.310 392 G HA3 0.615 4.579 3.960 0.007 0.000 0.310 392 G C -2.423 172.044 174.900 -0.723 0.000 1.279 392 G CA -0.524 43.963 45.100 -1.021 0.000 0.974 392 G HN 0.387 nan 8.290 nan 0.000 0.484 393 Y N 0.705 120.963 120.300 -0.071 0.000 2.425 393 Y HA 0.443 4.997 4.550 0.007 0.000 0.344 393 Y C 0.851 176.692 175.900 -0.099 0.000 0.969 393 Y CA -1.173 56.868 58.100 -0.099 0.000 1.052 393 Y CB 1.777 40.195 38.460 -0.070 0.000 1.215 393 Y HN 0.622 nan 8.280 nan 0.000 0.451 394 D N 0.769 121.144 120.400 -0.042 0.000 4.541 394 D HA -0.317 4.327 4.640 0.007 0.000 0.246 394 D C -0.085 176.205 176.300 -0.015 0.000 0.855 394 D CA 2.643 56.605 54.000 -0.063 0.000 1.958 394 D CB -0.779 40.025 40.800 0.005 0.000 1.116 394 D HN 0.858 nan 8.370 nan 0.000 0.413 395 D N 0.258 120.679 120.400 0.035 0.000 2.460 395 D HA 0.179 4.824 4.640 0.007 0.000 0.229 395 D C 1.162 177.509 176.300 0.079 0.000 1.170 395 D CA 0.264 54.296 54.000 0.053 0.000 0.827 395 D CB 0.555 41.391 40.800 0.060 0.000 0.973 395 D HN 0.091 nan 8.370 nan 0.000 0.496 396 S N -0.204 115.534 115.700 0.063 0.000 2.382 396 S HA -0.058 4.416 4.470 0.007 0.000 0.228 396 S C 0.727 175.510 174.600 0.306 0.000 1.027 396 S CA 0.587 58.873 58.200 0.143 0.000 0.991 396 S CB 0.161 63.356 63.200 -0.009 0.000 0.823 396 S HN 0.277 nan 8.310 nan 0.000 0.469 397 V N -0.121 119.920 119.914 0.212 0.000 3.012 397 V HA 0.619 4.744 4.120 0.007 0.000 0.307 397 V C -3.064 173.125 176.094 0.159 0.000 1.166 397 V CA -2.409 60.060 62.300 0.282 0.000 0.974 397 V CB 1.421 33.379 31.823 0.224 0.000 1.040 397 V HN -0.028 nan 8.190 nan 0.000 0.428 398 P HA 0.084 nan 4.420 nan 0.000 0.266 398 P C 0.271 177.644 177.300 0.121 0.000 1.180 398 P CA 0.395 63.566 63.100 0.118 0.000 0.765 398 P CB 0.293 32.056 31.700 0.106 0.000 0.806 399 L N 1.671 122.980 121.223 0.143 0.000 2.440 399 L HA 0.296 4.640 4.340 0.007 0.000 0.184 399 L C 0.424 177.394 176.870 0.166 0.000 1.111 399 L CA 0.007 54.961 54.840 0.190 0.000 0.910 399 L CB -0.285 41.960 42.059 0.310 0.000 1.455 399 L HN 0.260 nan 8.230 nan 0.000 0.523 400 L N 0.422 121.737 121.223 0.154 0.000 2.905 400 L HA 0.265 4.609 4.340 0.007 0.000 0.260 400 L C -0.514 176.232 176.870 -0.206 0.000 0.933 400 L CA -0.228 54.628 54.840 0.027 0.000 1.034 400 L CB 1.087 43.201 42.059 0.092 0.000 1.550 400 L HN 0.572 nan 8.230 nan 0.000 0.480 401 N N 4.096 122.552 118.700 -0.406 0.000 2.255 401 N HA 0.542 5.286 4.740 0.007 0.000 0.253 401 N C -0.886 174.491 175.510 -0.222 0.000 1.313 401 N CA 0.101 52.786 53.050 -0.608 0.000 0.912 401 N CB 0.516 38.742 38.487 -0.435 0.000 1.145 401 N HN 0.550 nan 8.380 nan 0.000 0.511 420 D N 0.183 120.587 120.400 0.006 0.000 2.511 420 D HA 0.713 5.357 4.640 0.007 0.000 0.276 420 D C -1.060 175.246 176.300 0.009 0.000 1.220 420 D CA -0.208 53.799 54.000 0.012 0.000 1.077 420 D CB 1.334 42.125 40.800 -0.014 0.000 1.126 420 D HN 0.561 nan 8.370 nan 0.000 0.583 421 F N 0.863 120.647 119.950 -0.278 0.000 2.839 421 F HA 0.089 4.621 4.527 0.007 0.000 0.344 421 F C -1.041 174.360 175.800 -0.665 0.000 1.242 421 F CA -0.905 56.791 58.000 -0.506 0.000 1.091 421 F CB 1.201 39.766 39.000 -0.726 0.000 1.374 421 F HN -0.034 nan 8.300 nan 0.000 0.553 422 D N 5.052 124.841 120.400 -1.019 0.000 2.368 422 D HA 0.016 4.661 4.640 0.007 0.000 0.268 422 D C 0.556 176.350 176.300 -0.843 0.000 1.298 422 D CA 0.604 54.174 54.000 -0.717 0.000 0.938 422 D CB 0.188 40.658 40.800 -0.549 0.000 1.101 422 D HN 0.430 nan 8.370 nan 0.000 0.509 423 F N 2.129 121.924 119.950 -0.257 0.000 2.664 423 F HA 0.119 4.650 4.527 0.007 0.000 0.296 423 F C 1.823 177.496 175.800 -0.212 0.000 1.125 423 F CA 0.312 58.203 58.000 -0.180 0.000 1.444 423 F CB -0.161 38.799 39.000 -0.066 0.000 1.114 423 F HN 0.446 nan 8.300 nan 0.000 0.576 424 N N -0.001 118.667 118.700 -0.055 0.000 2.362 424 N HA 0.138 4.882 4.740 0.007 0.000 0.204 424 N C 1.707 177.112 175.510 -0.175 0.000 1.166 424 N CA 0.228 53.210 53.050 -0.114 0.000 0.831 424 N CB 0.196 38.632 38.487 -0.085 0.000 1.008 424 N HN 0.160 nan 8.380 nan 0.000 0.472 425 A N 2.018 124.717 122.820 -0.201 0.000 1.845 425 A HA -0.141 4.183 4.320 0.007 0.000 0.215 425 A C 0.930 178.429 177.584 -0.143 0.000 1.195 425 A CA 1.045 52.976 52.037 -0.177 0.000 0.616 425 A CB -0.190 18.685 19.000 -0.210 0.000 0.832 425 A HN 0.325 nan 8.150 nan 0.000 0.443 426 K N 0.382 120.689 120.400 -0.155 0.000 3.689 426 K HA -0.159 4.166 4.320 0.007 0.000 0.276 426 K C -0.946 175.691 176.600 0.060 0.000 0.932 426 K CA 0.720 56.853 56.287 -0.257 0.000 0.758 426 K CB -1.360 30.694 32.500 -0.743 0.000 1.500 426 K HN 0.605 nan 8.250 nan 0.000 0.448 427 D N 0.903 121.410 120.400 0.179 0.000 2.365 427 D HA 0.128 4.772 4.640 0.007 0.000 0.237 427 D C -1.735 174.713 176.300 0.246 0.000 1.190 427 D CA -2.370 51.729 54.000 0.165 0.000 0.867 427 D CB 1.150 42.020 40.800 0.115 0.000 1.050 427 D HN 0.002 nan 8.370 nan 0.000 0.491 428 P HA -0.093 nan 4.420 nan 0.000 0.231 428 P C 0.559 177.969 177.300 0.183 0.000 1.154 428 P CA 0.622 63.870 63.100 0.247 0.000 0.762 428 P CB 0.310 32.131 31.700 0.201 0.000 0.790 429 A N 0.058 122.972 122.820 0.157 0.000 2.081 429 A HA -0.007 4.317 4.320 0.007 0.000 0.214 429 A C 1.238 178.913 177.584 0.151 0.000 1.158 429 A CA 1.083 53.196 52.037 0.127 0.000 0.724 429 A CB -0.540 18.517 19.000 0.094 0.000 0.826 429 A HN 0.332 nan 8.150 nan 0.000 0.463 430 N N -2.098 116.703 118.700 0.168 0.000 2.193 430 N HA 0.202 4.946 4.740 0.007 0.000 0.236 430 N C -0.702 174.804 175.510 -0.007 0.000 1.347 430 N CA 0.176 53.318 53.050 0.154 0.000 0.812 430 N CB 0.358 38.913 38.487 0.114 0.000 1.297 430 N HN -0.018 nan 8.380 nan 0.000 0.499 431 S N -1.067 114.690 115.700 0.095 0.000 2.564 431 S HA 0.928 5.402 4.470 0.007 0.000 0.274 431 S C -0.479 174.159 174.600 0.063 0.000 1.124 431 S CA -0.570 57.647 58.200 0.028 0.000 0.869 431 S CB 2.051 65.641 63.200 0.650 0.000 1.105 431 S HN 0.447 nan 8.310 nan 0.000 0.472 432 G N 1.374 109.888 108.800 -0.477 0.000 2.695 432 G HA2 0.795 4.759 3.960 0.007 0.000 0.290 432 G HA3 0.795 4.759 3.960 0.007 0.000 0.290 432 G C -3.450 170.439 174.900 -1.685 0.000 1.410 432 G CA -1.517 43.157 45.100 -0.710 0.000 0.844 432 G HN 0.427 nan 8.290 nan 0.000 0.478 433 P HA 0.379 nan 4.420 nan 0.000 0.285 433 P C -1.865 175.359 177.300 -0.128 0.000 1.269 433 P CA -0.651 62.044 63.100 -0.675 0.000 0.844 433 P CB 1.990 33.518 31.700 -0.285 0.000 1.094 434 Y N 1.355 121.639 120.300 -0.026 0.000 2.484 434 Y HA 0.362 4.917 4.550 0.007 0.000 0.348 434 Y C -0.426 175.505 175.900 0.052 0.000 1.103 434 Y CA -0.497 57.602 58.100 -0.002 0.000 1.317 434 Y CB 1.041 39.539 38.460 0.064 0.000 1.096 434 Y HN 0.190 nan 8.280 nan 0.000 0.568 435 R N 6.109 126.547 120.500 -0.102 0.000 2.272 435 R HA 0.525 4.870 4.340 0.007 0.000 0.323 435 R C -1.213 174.976 176.300 -0.185 0.000 1.002 435 R CA -0.511 55.566 56.100 -0.040 0.000 0.900 435 R CB 0.968 31.282 30.300 0.022 0.000 1.151 435 R HN 0.383 nan 8.270 nan 0.000 0.507 436 I N 3.663 124.125 120.570 -0.180 0.000 2.646 436 I HA 0.394 4.568 4.170 0.007 0.000 0.299 436 I C -0.474 175.594 176.117 -0.081 0.000 1.036 436 I CA -1.018 60.154 61.300 -0.214 0.000 1.074 436 I CB 2.134 39.922 38.000 -0.354 0.000 1.258 436 I HN 0.503 nan 8.210 nan 0.000 0.430 437 L N 6.128 127.311 121.223 -0.066 0.000 2.427 437 L HA 0.460 4.804 4.340 0.007 0.000 0.264 437 L C -0.878 175.983 176.870 -0.014 0.000 0.989 437 L CA -0.156 54.675 54.840 -0.016 0.000 0.865 437 L CB 0.575 42.633 42.059 -0.001 0.000 1.209 437 L HN 0.560 nan 8.230 nan 0.000 0.430 438 N N 4.650 123.349 118.700 -0.001 0.000 2.456 438 N HA 0.435 5.180 4.740 0.007 0.000 0.288 438 N C -1.155 174.371 175.510 0.027 0.000 1.059 438 N CA -0.794 52.261 53.050 0.007 0.000 0.946 438 N CB 1.363 39.855 38.487 0.007 0.000 1.150 438 N HN 0.426 nan 8.380 nan 0.000 0.479 439 K N 2.027 122.446 120.400 0.032 0.000 2.324 439 K HA 0.341 4.665 4.320 0.007 0.000 0.253 439 K C -1.058 175.570 176.600 0.046 0.000 0.932 439 K CA -0.563 55.752 56.287 0.047 0.000 0.799 439 K CB 2.286 34.819 32.500 0.056 0.000 1.154 439 K HN 0.469 nan 8.250 nan 0.000 0.425 440 Q N 1.808 121.634 119.800 0.044 0.000 2.359 440 Q HA 0.415 4.759 4.340 0.007 0.000 0.274 440 Q C -1.777 174.243 176.000 0.034 0.000 1.074 440 Q CA -0.719 55.104 55.803 0.033 0.000 0.810 440 Q CB 2.526 31.266 28.738 0.004 0.000 1.342 440 Q HN 0.417 nan 8.270 nan 0.000 0.427 441 K N 1.753 122.180 120.400 0.045 0.000 2.546 441 K HA 0.385 4.709 4.320 0.007 0.000 0.264 441 K C -2.051 174.579 176.600 0.051 0.000 0.937 441 K CA -0.462 55.849 56.287 0.040 0.000 0.833 441 K CB 2.008 34.608 32.500 0.168 0.000 1.378 441 K HN 0.566 nan 8.250 nan 0.000 0.432 442 Q N 2.531 122.309 119.800 -0.037 0.000 2.380 442 Q HA 0.240 4.584 4.340 0.007 0.000 0.245 442 Q C -1.805 174.277 176.000 0.137 0.000 0.893 442 Q CA -0.426 55.430 55.803 0.088 0.000 0.922 442 Q CB 2.146 30.914 28.738 0.050 0.000 1.432 442 Q HN 0.698 nan 8.270 nan 0.000 0.434 443 T N 1.516 116.295 114.554 0.375 0.000 2.823 443 T HA 0.830 5.184 4.350 0.007 0.000 0.279 443 T C -0.275 174.771 174.700 0.576 0.000 0.998 443 T CA -0.470 61.916 62.100 0.477 0.000 0.994 443 T CB 1.577 70.719 68.868 0.457 0.000 0.960 443 T HN 0.613 nan 8.240 nan 0.000 0.448 444 G N 0.767 109.865 108.800 0.497 0.000 2.659 444 G HA2 0.704 4.668 3.960 0.007 0.000 0.296 444 G HA3 0.704 4.668 3.960 0.007 0.000 0.296 444 G C -1.029 174.182 174.900 0.517 0.000 1.369 444 G CA -0.769 44.636 45.100 0.509 0.000 0.937 444 G HN 0.897 nan 8.290 nan 0.000 0.485 445 V N -1.053 119.176 119.914 0.526 0.000 2.914 445 V HA 0.984 5.108 4.120 0.007 0.000 0.314 445 V C -0.960 175.396 176.094 0.437 0.000 1.084 445 V CA -1.296 61.251 62.300 0.413 0.000 0.963 445 V CB 1.104 33.147 31.823 0.367 0.000 1.025 445 V HN 1.519 nan 8.190 nan 0.000 0.432 446 Y N 1.527 121.928 120.300 0.169 0.000 2.641 446 Y HA 0.882 5.437 4.550 0.007 0.000 0.333 446 Y C -1.112 174.862 175.900 0.123 0.000 1.174 446 Y CA -1.015 57.168 58.100 0.138 0.000 1.057 446 Y CB 1.294 39.798 38.460 0.074 0.000 1.322 446 Y HN 1.191 nan 8.280 nan 0.000 0.457 447 V N 0.070 120.136 119.914 0.254 0.000 2.841 447 V HA 0.828 4.952 4.120 0.007 0.000 0.310 447 V C -1.249 174.985 176.094 0.233 0.000 1.090 447 V CA -0.700 61.703 62.300 0.172 0.000 0.930 447 V CB 1.739 33.649 31.823 0.145 0.000 1.014 447 V HN 1.169 nan 8.190 nan 0.000 0.425 448 Q N 1.751 121.666 119.800 0.192 0.000 2.284 448 Q HA 0.539 4.883 4.340 0.007 0.000 0.269 448 Q C -2.225 173.845 176.000 0.117 0.000 1.026 448 Q CA -0.393 55.507 55.803 0.162 0.000 0.831 448 Q CB 2.677 31.506 28.738 0.152 0.000 1.322 448 Q HN 1.040 nan 8.270 nan 0.000 0.419 449 D N 2.443 122.906 120.400 0.105 0.000 2.408 449 D HA 0.179 4.824 4.640 0.007 0.000 0.243 449 D C -1.114 175.193 176.300 0.011 0.000 1.075 449 D CA -0.170 53.871 54.000 0.068 0.000 0.832 449 D CB 1.362 42.239 40.800 0.128 0.000 1.162 449 D HN 0.391 nan 8.370 nan 0.000 0.515 450 Q N 2.502 122.279 119.800 -0.037 0.000 2.571 450 Q HA 0.501 4.845 4.340 0.007 0.000 0.222 450 Q C -0.766 175.152 176.000 -0.136 0.000 1.167 450 Q CA -0.653 55.112 55.803 -0.063 0.000 0.966 450 Q CB 1.357 30.063 28.738 -0.053 0.000 1.274 450 Q HN 0.479 nan 8.270 nan 0.000 0.552 451 A N 2.986 125.708 122.820 -0.162 0.000 2.276 451 A HA 0.296 4.620 4.320 0.007 0.000 0.300 451 A C -0.472 177.035 177.584 -0.128 0.000 1.235 451 A CA -0.343 51.528 52.037 -0.277 0.000 0.867 451 A CB 0.699 19.503 19.000 -0.326 0.000 1.137 451 A HN 0.638 nan 8.150 nan 0.000 0.527 452 Q N 2.537 122.270 119.800 -0.111 0.000 2.325 452 Q HA 0.327 4.671 4.340 0.007 0.000 0.270 452 Q C -1.672 174.376 176.000 0.081 0.000 1.020 452 Q CA -0.540 55.256 55.803 -0.012 0.000 0.785 452 Q CB 1.297 30.020 28.738 -0.025 0.000 1.259 452 Q HN 0.803 nan 8.270 nan 0.000 0.452 453 W N 7.261 128.513 121.300 -0.081 0.000 2.243 453 W HA 0.243 4.907 4.660 0.007 0.000 0.331 453 W C 0.249 176.730 176.519 -0.063 0.000 0.895 453 W CA -0.730 56.584 57.345 -0.051 0.000 1.580 453 W CB -0.485 28.957 29.460 -0.030 0.000 1.568 453 W HN 1.029 nan 8.180 nan 0.000 0.372 454 D N 2.149 122.708 120.400 0.265 0.000 4.429 454 D HA -0.342 4.302 4.640 0.007 0.000 0.235 454 D C 1.183 177.464 176.300 -0.031 0.000 1.091 454 D CA 2.704 56.770 54.000 0.110 0.000 2.197 454 D CB -0.498 40.379 40.800 0.128 0.000 1.181 454 D HN 0.383 nan 8.370 nan 0.000 0.415 455 K N 0.035 120.345 120.400 -0.150 0.000 2.365 455 K HA 0.187 4.511 4.320 0.007 0.000 0.195 455 K C 0.858 177.186 176.600 -0.453 0.000 1.079 455 K CA 0.669 56.751 56.287 -0.343 0.000 0.979 455 K CB 0.974 33.172 32.500 -0.503 0.000 0.929 455 K HN 0.442 nan 8.250 nan 0.000 0.523 456 V N -0.415 119.330 119.914 -0.281 0.000 2.630 456 V HA 0.544 4.668 4.120 0.007 0.000 0.305 456 V C -0.216 175.852 176.094 -0.044 0.000 1.046 456 V CA -0.988 61.205 62.300 -0.179 0.000 0.934 456 V CB 2.169 33.940 31.823 -0.087 0.000 1.003 456 V HN -0.000 nan 8.190 nan 0.000 0.451 457 L N 5.424 126.624 121.223 -0.039 0.000 2.372 457 L HA 0.607 4.951 4.340 0.007 0.000 0.273 457 L C -0.685 176.172 176.870 -0.022 0.000 0.989 457 L CA -0.614 54.209 54.840 -0.028 0.000 0.841 457 L CB 1.748 43.780 42.059 -0.046 0.000 1.225 457 L HN 0.858 nan 8.230 nan 0.000 0.414 458 V N 1.452 121.363 119.914 -0.004 0.000 2.370 458 V HA 0.594 4.718 4.120 0.007 0.000 0.279 458 V C 0.309 176.406 176.094 0.006 0.000 1.029 458 V CA -0.413 61.893 62.300 0.010 0.000 0.870 458 V CB 0.994 32.850 31.823 0.056 0.000 0.984 458 V HN 0.798 nan 8.190 nan 0.000 0.451 459 T N 3.854 118.415 114.554 0.011 0.000 2.771 459 T HA 0.751 5.106 4.350 0.007 0.000 0.281 459 T C -0.624 174.126 174.700 0.083 0.000 0.982 459 T CA -0.528 61.585 62.100 0.023 0.000 0.978 459 T CB 1.550 70.413 68.868 -0.009 0.000 0.930 459 T HN 0.768 nan 8.240 nan 0.000 0.447 460 L N 2.687 123.979 121.223 0.115 0.000 2.482 460 L HA 0.734 5.078 4.340 0.007 0.000 0.269 460 L C -0.267 176.726 176.870 0.205 0.000 0.967 460 L CA -0.369 54.590 54.840 0.198 0.000 0.851 460 L CB 1.502 43.683 42.059 0.203 0.000 1.242 460 L HN 1.055 nan 8.230 nan 0.000 0.404 461 G N 2.005 110.955 108.800 0.249 0.000 2.692 461 G HA2 0.755 4.719 3.960 0.007 0.000 0.291 461 G HA3 0.755 4.719 3.960 0.007 0.000 0.291 461 G C -1.423 173.647 174.900 0.284 0.000 1.423 461 G CA -0.314 44.925 45.100 0.233 0.000 0.843 461 G HN 0.790 nan 8.290 nan 0.000 0.486 462 G N -0.918 108.044 108.800 0.271 0.000 2.690 462 G HA2 0.741 4.706 3.960 0.007 0.000 0.293 462 G HA3 0.741 4.706 3.960 0.007 0.000 0.293 462 G C -1.425 173.591 174.900 0.195 0.000 1.399 462 G CA -0.775 44.456 45.100 0.220 0.000 0.890 462 G HN 0.703 nan 8.290 nan 0.000 0.485 463 R N -0.082 120.413 120.500 -0.008 0.000 2.566 463 R HA 0.488 4.833 4.340 0.007 0.000 0.271 463 R C -2.225 174.146 176.300 0.118 0.000 1.071 463 R CA -0.804 55.382 56.100 0.144 0.000 0.915 463 R CB 1.979 32.319 30.300 0.066 0.000 1.228 463 R HN 0.532 nan 8.270 nan 0.000 0.449 464 Y N 2.511 122.878 120.300 0.112 0.000 2.360 464 Y HA 0.413 4.967 4.550 0.007 0.000 0.337 464 Y C -0.802 174.978 175.900 -0.199 0.000 1.039 464 Y CA -0.104 57.949 58.100 -0.079 0.000 1.109 464 Y CB 1.623 39.958 38.460 -0.209 0.000 1.201 464 Y HN 0.565 nan 8.280 nan 0.000 0.458 465 D N 4.701 124.780 120.400 -0.535 0.000 2.646 465 D HA 0.177 4.821 4.640 0.007 0.000 0.245 465 D C -1.198 174.930 176.300 -0.287 0.000 1.099 465 D CA -0.242 53.652 54.000 -0.177 0.000 0.849 465 D CB 1.576 42.436 40.800 0.099 0.000 1.448 465 D HN 0.565 nan 8.370 nan 0.000 0.489 466 W N 1.395 122.772 121.300 0.129 0.000 2.299 466 W HA 0.469 5.133 4.660 0.007 0.000 0.319 466 W C -0.447 176.151 176.519 0.132 0.000 1.008 466 W CA -0.819 56.601 57.345 0.126 0.000 1.384 466 W CB 1.501 31.065 29.460 0.174 0.000 1.220 466 W HN 0.314 nan 8.180 nan 0.000 0.402 467 A N 3.495 126.477 122.820 0.269 0.000 2.690 467 A HA 0.374 4.699 4.320 0.007 0.000 0.342 467 A C -0.385 177.310 177.584 0.185 0.000 1.410 467 A CA -0.402 51.771 52.037 0.228 0.000 0.958 467 A CB -0.077 19.074 19.000 0.252 0.000 1.153 467 A HN 0.345 nan 8.150 nan 0.000 0.497 468 D N 1.796 122.307 120.400 0.184 0.000 2.256 468 D HA 0.437 5.081 4.640 0.007 0.000 0.250 468 D C 0.358 176.725 176.300 0.112 0.000 1.093 468 D CA 0.286 54.374 54.000 0.146 0.000 0.882 468 D CB 1.187 42.079 40.800 0.152 0.000 1.185 468 D HN 0.748 nan 8.370 nan 0.000 0.437 469 Q N -0.243 119.611 119.800 0.090 0.000 2.456 469 Q HA 0.703 5.047 4.340 0.007 0.000 0.283 469 Q C -1.168 174.865 176.000 0.056 0.000 1.084 469 Q CA -1.043 54.802 55.803 0.069 0.000 0.801 469 Q CB 2.831 31.607 28.738 0.063 0.000 1.434 469 Q HN 0.341 nan 8.270 nan 0.000 0.419 470 E N 0.833 121.059 120.200 0.043 0.000 2.335 470 E HA 0.430 4.785 4.350 0.007 0.000 0.280 470 E C -1.945 174.664 176.600 0.016 0.000 0.918 470 E CA -0.506 55.912 56.400 0.031 0.000 0.765 470 E CB 2.333 32.055 29.700 0.038 0.000 1.218 470 E HN 0.606 nan 8.360 nan 0.000 0.425 471 S N 4.359 120.059 115.700 -0.000 0.000 2.594 471 S HA 0.513 4.987 4.470 0.007 0.000 0.296 471 S C -1.651 172.928 174.600 -0.036 0.000 1.124 471 S CA -0.750 57.437 58.200 -0.021 0.000 1.011 471 S CB 1.001 64.183 63.200 -0.031 0.000 1.016 471 S HN 0.463 nan 8.310 nan 0.000 0.485 472 L N 5.225 126.422 121.223 -0.044 0.000 2.272 472 L HA 0.595 4.939 4.340 0.007 0.000 0.289 472 L C -0.233 176.582 176.870 -0.092 0.000 1.032 472 L CA -0.172 54.638 54.840 -0.051 0.000 0.810 472 L CB 1.250 43.291 42.059 -0.029 0.000 1.205 472 L HN 0.738 nan 8.230 nan 0.000 0.422 473 N N 3.775 122.414 118.700 -0.102 0.000 2.767 473 N HA 0.094 4.838 4.740 0.007 0.000 0.238 473 N C 1.040 176.482 175.510 -0.114 0.000 1.083 473 N CA -0.082 52.876 53.050 -0.152 0.000 0.964 473 N CB 0.412 38.809 38.487 -0.150 0.000 1.252 473 N HN 0.680 nan 8.380 nan 0.000 0.512 474 R N 1.623 122.061 120.500 -0.103 0.000 2.119 474 R HA -0.095 4.249 4.340 0.007 0.000 0.246 474 R C 1.323 177.593 176.300 -0.049 0.000 1.146 474 R CA 1.284 57.350 56.100 -0.057 0.000 0.962 474 R CB -0.382 29.897 30.300 -0.035 0.000 0.863 474 R HN 0.339 nan 8.270 nan 0.000 0.442 475 V N -0.629 119.238 119.914 -0.078 0.000 3.413 475 V HA 0.353 4.477 4.120 0.007 0.000 0.344 475 V C 0.138 176.194 176.094 -0.063 0.000 1.225 475 V CA 0.925 63.190 62.300 -0.057 0.000 1.324 475 V CB 0.252 32.030 31.823 -0.073 0.000 1.161 475 V HN 0.466 nan 8.190 nan 0.000 0.432 476 A N -0.885 121.900 122.820 -0.058 0.000 2.631 476 A HA 0.478 4.802 4.320 0.007 0.000 0.179 476 A C 1.689 179.251 177.584 -0.036 0.000 1.492 476 A CA 0.730 52.737 52.037 -0.050 0.000 1.077 476 A CB -0.312 18.645 19.000 -0.071 0.000 1.249 476 A HN 1.476 nan 8.150 nan 0.000 0.466 477 G N 0.005 108.785 108.800 -0.035 0.000 2.257 477 G HA2 -0.277 3.687 3.960 0.007 0.000 0.267 477 G HA3 -0.277 3.687 3.960 0.007 0.000 0.267 477 G C 0.515 175.399 174.900 -0.027 0.000 0.984 477 G CA 0.988 46.074 45.100 -0.023 0.000 0.626 477 G HN 1.191 nan 8.290 nan 0.000 0.540 478 T N 1.181 115.713 114.554 -0.037 0.000 2.867 478 T HA 0.440 4.794 4.350 0.007 0.000 0.297 478 T C 0.366 175.042 174.700 -0.040 0.000 0.989 478 T CA 1.320 63.399 62.100 -0.036 0.000 1.159 478 T CB 1.390 70.230 68.868 -0.046 0.000 0.928 478 T HN 0.752 nan 8.240 nan 0.000 0.538 479 T N 3.958 118.496 114.554 -0.027 0.000 3.078 479 T HA 0.281 4.635 4.350 0.007 0.000 0.328 479 T C -1.445 173.246 174.700 -0.016 0.000 0.987 479 T CA -1.051 61.035 62.100 -0.024 0.000 1.049 479 T CB 0.226 69.085 68.868 -0.015 0.000 1.011 479 T HN 0.591 nan 8.240 nan 0.000 0.463 480 D N 4.721 125.109 120.400 -0.020 0.000 2.168 480 D HA 0.520 5.164 4.640 0.007 0.000 0.246 480 D C -0.089 176.207 176.300 -0.006 0.000 1.050 480 D CA -0.675 53.316 54.000 -0.015 0.000 0.857 480 D CB 2.130 42.915 40.800 -0.024 0.000 1.169 480 D HN 0.751 nan 8.370 nan 0.000 0.453 481 K N 0.322 120.724 120.400 0.003 0.000 2.469 481 K HA 0.794 5.118 4.320 0.007 0.000 0.268 481 K C -0.885 175.730 176.600 0.025 0.000 1.027 481 K CA -1.223 55.075 56.287 0.018 0.000 0.893 481 K CB 3.057 35.573 32.500 0.026 0.000 1.460 481 K HN 0.423 nan 8.250 nan 0.000 0.449 482 R N 0.687 121.212 120.500 0.042 0.000 2.664 482 R HA 0.228 4.573 4.340 0.007 0.000 0.260 482 R C -2.029 174.316 176.300 0.076 0.000 1.062 482 R CA -0.483 55.648 56.100 0.052 0.000 0.902 482 R CB 1.736 32.063 30.300 0.045 0.000 1.258 482 R HN 0.818 nan 8.270 nan 0.000 0.465 483 D N 2.075 122.525 120.400 0.084 0.000 2.362 483 D HA 0.387 5.031 4.640 0.007 0.000 0.247 483 D C -1.286 175.073 176.300 0.098 0.000 1.050 483 D CA -0.216 53.852 54.000 0.113 0.000 0.839 483 D CB 2.164 43.044 40.800 0.134 0.000 1.283 483 D HN 0.426 nan 8.370 nan 0.000 0.477 484 D N 0.508 120.966 120.400 0.096 0.000 2.575 484 D HA 0.480 5.124 4.640 0.007 0.000 0.236 484 D C -0.708 175.548 176.300 -0.073 0.000 1.075 484 D CA -0.731 53.274 54.000 0.009 0.000 0.860 484 D CB 1.655 42.446 40.800 -0.015 0.000 1.475 484 D HN -0.177 nan 8.370 nan 0.000 0.474 485 K N 1.619 121.905 120.400 -0.190 0.000 2.507 485 K HA 0.481 4.805 4.320 0.007 0.000 0.253 485 K C -1.266 174.955 176.600 -0.631 0.000 0.969 485 K CA -0.618 55.429 56.287 -0.399 0.000 0.908 485 K CB 1.411 33.851 32.500 -0.100 0.000 1.127 485 K HN 0.156 nan 8.250 nan 0.000 0.437 486 Q N 1.847 121.060 119.800 -0.980 0.000 2.356 486 Q HA 0.529 4.873 4.340 0.007 0.000 0.270 486 Q C -1.710 173.736 176.000 -0.923 0.000 1.058 486 Q CA -0.733 54.499 55.803 -0.952 0.000 0.802 486 Q CB 1.290 29.154 28.738 -1.457 0.000 1.303 486 Q HN 0.480 nan 8.270 nan 0.000 0.444 487 F N 1.482 121.072 119.950 -0.600 0.000 2.443 487 F HA 0.753 5.284 4.527 0.007 0.000 0.335 487 F C -0.741 175.033 175.800 -0.043 0.000 1.104 487 F CA -0.275 57.583 58.000 -0.237 0.000 1.013 487 F CB 1.778 40.829 39.000 0.086 0.000 1.136 487 F HN 0.392 nan 8.300 nan 0.000 0.470 488 T N 7.346 121.375 114.554 -0.874 0.000 2.971 488 T HA 0.548 4.902 4.350 0.007 0.000 0.304 488 T C -1.444 172.864 174.700 -0.653 0.000 1.038 488 T CA -0.428 61.353 62.100 -0.531 0.000 1.007 488 T CB 0.569 69.310 68.868 -0.211 0.000 1.055 488 T HN 0.756 nan 8.240 nan 0.000 0.451 489 W N 4.344 125.339 121.300 -0.509 0.000 3.055 489 W HA 0.836 5.500 4.660 0.006 0.000 0.340 489 W C -1.546 174.899 176.519 -0.122 0.000 1.180 489 W CA -1.376 55.812 57.345 -0.261 0.000 1.077 489 W CB 1.064 30.527 29.460 0.005 0.000 1.479 489 W HN 0.925 nan 8.180 nan 0.000 0.593 490 R N 0.560 121.000 120.500 -0.099 0.000 2.594 490 R HA 0.558 4.902 4.340 0.007 0.000 0.265 490 R C -1.299 175.036 176.300 0.057 0.000 1.070 490 R CA -0.309 55.590 56.100 -0.335 0.000 0.909 490 R CB 1.713 31.864 30.300 -0.249 0.000 1.243 490 R HN 0.944 nan 8.270 nan 0.000 0.455 491 G N 0.615 109.417 108.800 0.003 0.000 2.682 491 G HA2 0.699 4.664 3.960 0.007 0.000 0.300 491 G HA3 0.699 4.664 3.960 0.007 0.000 0.300 491 G C -1.293 173.692 174.900 0.141 0.000 1.391 491 G CA -0.435 44.810 45.100 0.243 0.000 0.990 491 G HN 0.776 nan 8.290 nan 0.000 0.501 492 G N -1.222 107.620 108.800 0.069 0.000 2.623 492 G HA2 0.747 4.711 3.960 0.007 0.000 0.290 492 G HA3 0.747 4.711 3.960 0.007 0.000 0.290 492 G C -1.703 173.088 174.900 -0.183 0.000 1.437 492 G CA -0.400 44.655 45.100 -0.075 0.000 0.798 492 G HN 1.333 nan 8.290 nan 0.000 0.488 493 V N 0.276 119.952 119.914 -0.396 0.000 2.888 493 V HA 0.613 4.738 4.120 0.007 0.000 0.309 493 V C -1.113 174.902 176.094 -0.130 0.000 1.114 493 V CA -1.250 60.878 62.300 -0.287 0.000 0.940 493 V CB 2.135 33.723 31.823 -0.391 0.000 1.021 493 V HN 0.712 nan 8.190 nan 0.000 0.426 494 N N 1.911 120.600 118.700 -0.019 0.000 2.410 494 N HA 0.376 5.121 4.740 0.007 0.000 0.287 494 N C -1.860 173.706 175.510 0.093 0.000 1.044 494 N CA -0.407 52.682 53.050 0.065 0.000 0.881 494 N CB 2.745 41.231 38.487 -0.001 0.000 1.405 494 N HN 0.815 nan 8.380 nan 0.000 0.490 495 Y N 2.336 122.692 120.300 0.093 0.000 2.367 495 Y HA 0.328 4.884 4.550 0.008 0.000 0.342 495 Y C 0.043 176.064 175.900 0.201 0.000 0.979 495 Y CA -0.547 57.645 58.100 0.154 0.000 1.161 495 Y CB 0.696 39.294 38.460 0.229 0.000 1.155 495 Y HN 0.427 nan 8.280 nan 0.000 0.503 496 L N 7.953 129.202 121.223 0.042 0.000 2.466 496 L HA 0.172 4.517 4.340 0.007 0.000 0.248 496 L C -0.695 176.392 176.870 0.362 0.000 1.240 496 L CA -0.443 54.497 54.840 0.167 0.000 1.180 496 L CB -0.785 41.280 42.059 0.010 0.000 1.413 496 L HN 0.505 nan 8.230 nan 0.000 0.406 497 F N 2.178 122.265 119.950 0.229 0.000 2.593 497 F HA -0.088 4.443 4.527 0.007 0.000 0.393 497 F C 1.829 177.697 175.800 0.115 0.000 1.037 497 F CA -0.612 57.505 58.000 0.195 0.000 1.195 497 F CB 0.093 39.185 39.000 0.155 0.000 1.034 497 F HN 0.526 nan 8.300 nan 0.000 0.552 498 D N 1.692 122.212 120.400 0.199 0.000 2.420 498 D HA -0.200 4.445 4.640 0.007 0.000 0.233 498 D C 0.977 177.360 176.300 0.139 0.000 1.017 498 D CA 0.642 54.718 54.000 0.126 0.000 0.951 498 D CB -0.548 40.289 40.800 0.063 0.000 0.877 498 D HN 0.584 nan 8.370 nan 0.000 0.528 499 N N -0.243 118.580 118.700 0.205 0.000 2.205 499 N HA 0.068 4.813 4.740 0.007 0.000 0.201 499 N C 1.250 176.913 175.510 0.256 0.000 1.128 499 N CA 0.871 54.038 53.050 0.195 0.000 0.867 499 N CB 0.895 39.494 38.487 0.187 0.000 0.996 499 N HN 0.304 nan 8.380 nan 0.000 0.503 500 G N 1.035 109.989 108.800 0.257 0.000 2.472 500 G HA2 -0.210 3.754 3.960 0.007 0.000 0.217 500 G HA3 -0.210 3.754 3.960 0.007 0.000 0.217 500 G C -0.072 174.990 174.900 0.269 0.000 2.125 500 G CA 0.124 45.384 45.100 0.266 0.000 1.637 500 G HN 0.917 nan 8.290 nan 0.000 0.548 501 V N 0.932 121.040 119.914 0.324 0.000 2.964 501 V HA 0.340 4.464 4.120 0.007 0.000 0.286 501 V C -0.007 176.081 176.094 -0.009 0.000 1.363 501 V CA 1.369 63.737 62.300 0.114 0.000 1.411 501 V CB -0.189 31.561 31.823 -0.122 0.000 0.835 501 V HN 1.228 nan 8.190 nan 0.000 0.487 502 T N 8.843 123.405 114.554 0.014 0.000 2.890 502 T HA 0.559 4.914 4.350 0.007 0.000 0.295 502 T C -2.582 172.172 174.700 0.090 0.000 0.993 502 T CA -0.644 61.476 62.100 0.034 0.000 0.979 502 T CB 2.031 70.942 68.868 0.071 0.000 0.967 502 T HN 0.842 nan 8.240 nan 0.000 0.441 503 P HA 0.579 nan 4.420 nan 0.000 0.287 503 P C -1.567 175.885 177.300 0.254 0.000 1.270 503 P CA -0.544 62.611 63.100 0.091 0.000 0.844 503 P CB 1.235 32.901 31.700 -0.057 0.000 1.068 504 Y N 0.219 120.556 120.300 0.061 0.000 2.779 504 Y HA 0.768 5.322 4.550 0.007 0.000 0.340 504 Y C -1.938 174.052 175.900 0.151 0.000 1.252 504 Y CA -1.487 56.633 58.100 0.033 0.000 1.072 504 Y CB 0.965 39.408 38.460 -0.028 0.000 1.343 504 Y HN 0.452 nan 8.280 nan 0.000 0.450 505 F N 0.047 120.023 119.950 0.043 0.000 2.665 505 F HA 0.873 5.404 4.527 0.008 0.000 0.308 505 F C -1.429 174.489 175.800 0.197 0.000 1.112 505 F CA -0.545 57.451 58.000 -0.007 0.000 0.972 505 F CB 1.675 40.670 39.000 -0.007 0.000 1.295 505 F HN 1.089 nan 8.300 nan 0.000 0.440 506 S N 1.574 117.527 115.700 0.423 0.000 2.565 506 S HA 0.647 5.122 4.470 0.007 0.000 0.269 506 S C -2.337 172.451 174.600 0.312 0.000 1.153 506 S CA -0.748 57.634 58.200 0.303 0.000 0.835 506 S CB 1.825 65.118 63.200 0.155 0.000 1.122 506 S HN 1.336 nan 8.310 nan 0.000 0.462 507 Y N 2.245 122.577 120.300 0.054 0.000 2.328 507 Y HA 0.685 5.239 4.550 0.007 0.000 0.337 507 Y C -0.574 175.095 175.900 -0.386 0.000 0.966 507 Y CA -0.357 57.643 58.100 -0.167 0.000 1.136 507 Y CB 1.661 40.016 38.460 -0.175 0.000 1.170 507 Y HN 1.025 nan 8.280 nan 0.000 0.470 508 S N 4.547 119.641 115.700 -1.010 0.000 2.521 508 S HA 0.617 5.091 4.470 0.007 0.000 0.295 508 S C -1.058 172.939 174.600 -1.006 0.000 1.098 508 S CA -1.072 56.595 58.200 -0.888 0.000 0.999 508 S CB 2.167 65.082 63.200 -0.475 0.000 1.034 508 S HN 0.747 nan 8.310 nan 0.000 0.483 509 E N 0.892 120.592 120.200 -0.833 0.000 2.222 509 E HA 0.729 5.083 4.350 0.007 0.000 0.267 509 E C -0.464 175.925 176.600 -0.351 0.000 0.963 509 E CA -0.690 55.363 56.400 -0.578 0.000 0.837 509 E CB 1.893 31.299 29.700 -0.490 0.000 1.183 509 E HN 0.818 nan 8.360 nan 0.000 0.403 510 S N 1.119 116.679 115.700 -0.234 0.000 2.615 510 S HA 0.763 5.237 4.470 0.007 0.000 0.269 510 S C -1.575 173.022 174.600 -0.006 0.000 1.161 510 S CA -0.868 57.231 58.200 -0.169 0.000 0.817 510 S CB 1.230 64.275 63.200 -0.258 0.000 1.131 510 S HN 0.564 nan 8.310 nan 0.000 0.467 511 F N -0.602 119.244 119.950 -0.173 0.000 2.704 511 F HA 0.723 5.254 4.527 0.007 0.000 0.312 511 F C -1.958 173.780 175.800 -0.103 0.000 1.108 511 F CA -0.605 57.316 58.000 -0.132 0.000 1.005 511 F CB 0.738 39.666 39.000 -0.120 0.000 1.277 511 F HN 0.904 nan 8.300 nan 0.000 0.445 512 E N 3.233 123.392 120.200 -0.068 0.000 2.274 512 E HA 0.621 4.976 4.350 0.007 0.000 0.269 512 E C -3.400 173.254 176.600 0.089 0.000 0.891 512 E CA -2.255 54.055 56.400 -0.151 0.000 0.784 512 E CB 2.625 32.230 29.700 -0.159 0.000 1.225 512 E HN 0.321 nan 8.360 nan 0.000 0.412 513 P HA 0.045 nan 4.420 nan 0.000 0.272 513 P C -0.620 176.751 177.300 0.118 0.000 1.240 513 P CA -0.470 62.730 63.100 0.167 0.000 0.791 513 P CB 0.991 32.798 31.700 0.178 0.000 0.978 514 S N -0.331 115.456 115.700 0.147 0.000 2.525 514 S HA 0.316 4.791 4.470 0.007 0.000 0.290 514 S C 0.965 175.645 174.600 0.134 0.000 1.152 514 S CA -0.285 58.012 58.200 0.162 0.000 1.072 514 S CB 0.179 63.541 63.200 0.269 0.000 1.027 514 S HN 0.426 nan 8.310 nan 0.000 0.500 515 S N 3.013 118.784 115.700 0.118 0.000 2.535 515 S HA 0.230 4.704 4.470 0.007 0.000 0.214 515 S C 0.331 174.980 174.600 0.082 0.000 0.980 515 S CA -0.382 57.868 58.200 0.084 0.000 0.907 515 S CB 0.004 63.247 63.200 0.071 0.000 0.790 515 S HN 0.671 nan 8.310 nan 0.000 0.510 516 Q N 1.340 121.223 119.800 0.137 0.000 2.260 516 Q HA 0.535 4.879 4.340 0.007 0.000 0.238 516 Q C -0.456 175.527 176.000 -0.028 0.000 0.948 516 Q CA -0.380 55.503 55.803 0.133 0.000 0.895 516 Q CB 1.719 30.627 28.738 0.284 0.000 1.218 516 Q HN 0.208 nan 8.270 nan 0.000 0.470 517 V N 0.285 120.155 119.914 -0.073 0.000 2.732 517 V HA 0.808 4.932 4.120 0.007 0.000 0.310 517 V C 0.080 176.003 176.094 -0.286 0.000 1.053 517 V CA -0.177 61.985 62.300 -0.229 0.000 0.957 517 V CB 1.729 33.529 31.823 -0.039 0.000 1.018 517 V HN 0.844 nan 8.190 nan 0.000 0.452 518 G N 2.829 111.295 108.800 -0.556 0.000 2.642 518 G HA2 0.297 4.262 3.960 0.007 0.000 0.291 518 G HA3 0.297 4.262 3.960 0.007 0.000 0.291 518 G C 0.316 175.057 174.900 -0.265 0.000 1.345 518 G CA -0.182 44.751 45.100 -0.278 0.000 1.043 518 G HN 0.841 nan 8.290 nan 0.000 0.528 519 K N -0.423 119.680 120.400 -0.495 0.000 2.362 519 K HA -0.081 4.243 4.320 0.007 0.000 0.200 519 K C 1.542 177.839 176.600 -0.505 0.000 1.046 519 K CA 1.596 57.267 56.287 -1.027 0.000 0.952 519 K CB 0.057 32.176 32.500 -0.635 0.000 0.753 519 K HN 0.562 nan 8.250 nan 0.000 0.466 520 D N -1.153 119.082 120.400 -0.276 0.000 2.317 520 D HA -0.031 4.614 4.640 0.007 0.000 0.211 520 D C 1.152 177.367 176.300 -0.141 0.000 0.966 520 D CA 0.995 54.897 54.000 -0.164 0.000 0.876 520 D CB 0.097 40.839 40.800 -0.096 0.000 0.927 520 D HN 0.336 nan 8.370 nan 0.000 0.519 521 G N 0.527 109.231 108.800 -0.160 0.000 2.141 521 G HA2 -0.213 3.751 3.960 0.007 0.000 0.231 521 G HA3 -0.213 3.751 3.960 0.007 0.000 0.231 521 G C -0.208 174.638 174.900 -0.091 0.000 0.984 521 G CA -0.285 44.763 45.100 -0.088 0.000 0.660 521 G HN 0.350 nan 8.290 nan 0.000 0.525 522 N N 0.515 119.128 118.700 -0.144 0.000 2.272 522 N HA 0.542 5.287 4.740 0.007 0.000 0.305 522 N C 0.582 175.946 175.510 -0.244 0.000 1.103 522 N CA -0.727 52.242 53.050 -0.135 0.000 0.791 522 N CB 1.516 39.950 38.487 -0.088 0.000 1.356 522 N HN 0.203 nan 8.380 nan 0.000 0.486 523 I N 0.440 120.911 120.570 -0.164 0.000 2.648 523 I HA 0.181 4.356 4.170 0.007 0.000 0.284 523 I C 0.713 176.751 176.117 -0.131 0.000 1.153 523 I CA -0.038 61.156 61.300 -0.176 0.000 1.426 523 I CB -0.899 37.081 38.000 -0.034 0.000 1.381 523 I HN 0.275 nan 8.210 nan 0.000 0.571 524 F N 3.191 123.180 119.950 0.065 0.000 2.587 524 F HA 0.321 4.853 4.527 0.007 0.000 0.327 524 F C 1.307 177.139 175.800 0.054 0.000 1.232 524 F CA -0.075 57.961 58.000 0.060 0.000 1.353 524 F CB 0.051 39.093 39.000 0.069 0.000 1.156 524 F HN 0.644 nan 8.300 nan 0.000 0.599 525 A N 1.488 124.484 122.820 0.292 0.000 2.351 525 A HA 0.482 4.807 4.320 0.007 0.000 0.257 525 A C -2.402 175.270 177.584 0.146 0.000 1.087 525 A CA -1.492 50.641 52.037 0.160 0.000 0.798 525 A CB -0.568 18.500 19.000 0.114 0.000 1.033 525 A HN 0.448 nan 8.150 nan 0.000 0.488 526 P HA 0.103 nan 4.420 nan 0.000 0.265 526 P C 0.069 177.439 177.300 0.117 0.000 1.193 526 P CA 0.172 63.365 63.100 0.154 0.000 0.765 526 P CB 0.670 32.484 31.700 0.190 0.000 0.823 527 S N 2.853 118.616 115.700 0.105 0.000 2.603 527 S HA 0.385 4.860 4.470 0.007 0.000 0.268 527 S C -0.180 174.453 174.600 0.055 0.000 1.317 527 S CA -0.388 57.843 58.200 0.052 0.000 1.012 527 S CB 0.677 63.889 63.200 0.020 0.000 0.926 527 S HN 0.261 nan 8.310 nan 0.000 0.539 528 K N 0.244 120.651 120.400 0.012 0.000 2.328 528 K HA 0.662 4.987 4.320 0.007 0.000 0.246 528 K C -0.429 176.119 176.600 -0.086 0.000 0.955 528 K CA -0.878 55.408 56.287 -0.002 0.000 0.817 528 K CB 2.213 34.720 32.500 0.012 0.000 1.208 528 K HN 0.827 nan 8.250 nan 0.000 0.432 529 G N 2.001 110.722 108.800 -0.131 0.000 2.702 529 G HA2 0.457 4.421 3.960 0.007 0.000 0.295 529 G HA3 0.457 4.421 3.960 0.007 0.000 0.295 529 G C -1.201 173.551 174.900 -0.247 0.000 1.446 529 G CA -0.457 44.506 45.100 -0.228 0.000 0.983 529 G HN 0.222 nan 8.290 nan 0.000 0.520 530 K N 1.081 121.349 120.400 -0.220 0.000 2.203 530 K HA 0.697 5.022 4.320 0.007 0.000 0.251 530 K C -0.298 176.130 176.600 -0.286 0.000 0.944 530 K CA -0.678 55.447 56.287 -0.271 0.000 0.829 530 K CB 2.254 34.694 32.500 -0.099 0.000 1.125 530 K HN 0.496 nan 8.250 nan 0.000 0.430 531 Q N 2.335 121.875 119.800 -0.433 0.000 2.352 531 Q HA 0.303 4.648 4.340 0.007 0.000 0.270 531 Q C -1.629 174.214 176.000 -0.262 0.000 1.006 531 Q CA -0.625 55.019 55.803 -0.265 0.000 0.880 531 Q CB 1.337 29.939 28.738 -0.227 0.000 1.392 531 Q HN 0.607 nan 8.270 nan 0.000 0.401 532 Y N 0.956 121.325 120.300 0.115 0.000 2.429 532 Y HA 0.555 5.109 4.550 0.007 0.000 0.342 532 Y C -0.065 175.922 175.900 0.144 0.000 1.004 532 Y CA -0.552 57.647 58.100 0.165 0.000 1.075 532 Y CB 2.146 40.697 38.460 0.152 0.000 1.214 532 Y HN 0.569 nan 8.280 nan 0.000 0.455 533 E N 1.227 121.615 120.200 0.313 0.000 2.366 533 E HA 0.740 5.094 4.350 0.007 0.000 0.278 533 E C -2.093 174.585 176.600 0.130 0.000 0.923 533 E CA -0.694 55.842 56.400 0.226 0.000 0.761 533 E CB 2.569 32.401 29.700 0.220 0.000 1.231 533 E HN 0.434 nan 8.360 nan 0.000 0.443 534 V N 1.844 121.759 119.914 0.001 0.000 2.760 534 V HA 0.874 4.998 4.120 0.007 0.000 0.309 534 V C -0.028 175.880 176.094 -0.311 0.000 1.077 534 V CA 0.082 62.281 62.300 -0.169 0.000 0.910 534 V CB 1.774 33.553 31.823 -0.073 0.000 1.008 534 V HN 0.821 nan 8.190 nan 0.000 0.424 535 G N 2.718 111.108 108.800 -0.684 0.000 2.495 535 G HA2 0.685 4.649 3.960 0.007 0.000 0.294 535 G HA3 0.685 4.649 3.960 0.007 0.000 0.294 535 G C -1.573 173.195 174.900 -0.220 0.000 1.397 535 G CA 0.133 45.002 45.100 -0.385 0.000 0.790 535 G HN 1.379 nan 8.290 nan 0.000 0.486 536 V N -2.551 117.439 119.914 0.127 0.000 2.841 536 V HA 0.897 5.021 4.120 0.007 0.000 0.310 536 V C -0.906 175.322 176.094 0.223 0.000 1.090 536 V CA -1.343 61.072 62.300 0.193 0.000 0.930 536 V CB 1.795 33.638 31.823 0.034 0.000 1.014 536 V HN 0.796 nan 8.190 nan 0.000 0.425 537 K N 3.097 123.610 120.400 0.188 0.000 2.426 537 K HA 0.523 4.848 4.320 0.007 0.000 0.254 537 K C -1.897 174.798 176.600 0.159 0.000 0.936 537 K CA -0.658 55.707 56.287 0.129 0.000 0.801 537 K CB 2.470 34.992 32.500 0.035 0.000 1.139 537 K HN 0.801 nan 8.250 nan 0.000 0.424 538 Y N 2.893 123.197 120.300 0.008 0.000 2.385 538 Y HA 0.350 4.904 4.550 0.007 0.000 0.341 538 Y C -1.051 174.850 175.900 0.001 0.000 0.965 538 Y CA -1.131 56.971 58.100 0.003 0.000 1.180 538 Y CB 0.893 39.357 38.460 0.006 0.000 1.139 538 Y HN 0.272 nan 8.280 nan 0.000 0.502 539 V N 9.842 129.644 119.914 -0.187 0.000 2.454 539 V HA 0.272 4.396 4.120 0.007 0.000 0.267 539 V C -2.049 173.894 176.094 -0.251 0.000 0.993 539 V CA -1.364 60.764 62.300 -0.286 0.000 0.836 539 V CB 0.866 32.612 31.823 -0.129 0.000 1.055 539 V HN 0.685 nan 8.190 nan 0.000 0.452 540 P HA 0.195 nan 4.420 nan 0.000 0.296 540 P C 0.238 177.487 177.300 -0.085 0.000 1.295 540 P CA 0.246 63.251 63.100 -0.159 0.000 0.754 540 P CB 1.902 33.493 31.700 -0.181 0.000 1.311 541 E N -1.276 118.909 120.200 -0.024 0.000 2.354 541 E HA -0.029 4.325 4.350 0.007 0.000 0.203 541 E C 1.407 177.997 176.600 -0.017 0.000 0.841 541 E CA 0.659 57.048 56.400 -0.018 0.000 1.046 541 E CB -0.587 29.118 29.700 0.007 0.000 1.040 541 E HN 0.181 nan 8.360 nan 0.000 0.504 542 D N 0.917 121.318 120.400 0.001 0.000 2.182 542 D HA -0.160 4.485 4.640 0.007 0.000 0.193 542 D C 0.501 176.793 176.300 -0.014 0.000 0.999 542 D CA 1.337 55.339 54.000 0.004 0.000 0.850 542 D CB -0.050 40.766 40.800 0.026 0.000 0.994 542 D HN 0.123 nan 8.370 nan 0.000 0.450 543 R N 0.477 120.963 120.500 -0.024 0.000 2.674 543 R HA 0.346 4.690 4.340 0.007 0.000 0.266 543 R C -2.231 174.027 176.300 -0.070 0.000 1.016 543 R CA -1.542 54.536 56.100 -0.037 0.000 1.062 543 R CB 1.241 31.528 30.300 -0.022 0.000 1.142 543 R HN 0.082 nan 8.270 nan 0.000 0.517 544 P HA 0.266 nan 4.420 nan 0.000 0.262 544 P C -0.785 176.467 177.300 -0.079 0.000 1.620 544 P CA 0.263 63.321 63.100 -0.070 0.000 1.089 544 P CB 0.200 31.872 31.700 -0.047 0.000 1.601 545 I N 2.036 122.526 120.570 -0.132 0.000 2.865 545 I HA 0.473 4.648 4.170 0.007 0.000 0.302 545 I C -0.405 175.600 176.117 -0.187 0.000 1.140 545 I CA -1.325 59.890 61.300 -0.142 0.000 1.021 545 I CB 3.075 40.966 38.000 -0.182 0.000 1.233 545 I HN -0.120 nan 8.210 nan 0.000 0.427 546 V N 5.021 124.865 119.914 -0.117 0.000 2.722 546 V HA 0.189 4.313 4.120 0.007 0.000 0.260 546 V C -0.537 175.548 176.094 -0.015 0.000 0.941 546 V CA -0.412 61.832 62.300 -0.094 0.000 0.888 546 V CB 1.700 33.480 31.823 -0.072 0.000 1.059 546 V HN 0.399 nan 8.190 nan 0.000 0.486 547 V N 3.129 123.062 119.914 0.032 0.000 2.481 547 V HA 0.689 4.813 4.120 0.007 0.000 0.286 547 V C 0.361 176.521 176.094 0.110 0.000 1.042 547 V CA 0.138 62.502 62.300 0.108 0.000 0.928 547 V CB 1.983 33.925 31.823 0.199 0.000 0.986 547 V HN 0.796 nan 8.190 nan 0.000 0.462 548 T N 3.273 117.885 114.554 0.096 0.000 3.032 548 T HA 0.683 5.037 4.350 0.007 0.000 0.312 548 T C -0.090 174.677 174.700 0.110 0.000 1.078 548 T CA -0.362 61.799 62.100 0.101 0.000 1.028 548 T CB 1.701 70.610 68.868 0.069 0.000 1.091 548 T HN 1.010 nan 8.240 nan 0.000 0.457 549 G N 0.973 109.849 108.800 0.127 0.000 2.563 549 G HA2 0.874 4.838 3.960 0.007 0.000 0.302 549 G HA3 0.874 4.838 3.960 0.007 0.000 0.302 549 G C -1.523 173.457 174.900 0.134 0.000 1.301 549 G CA -0.612 44.557 45.100 0.115 0.000 0.965 549 G HN 0.997 nan 8.290 nan 0.000 0.480 550 A N -0.461 122.434 122.820 0.125 0.000 2.605 550 A HA 0.796 5.120 4.320 0.007 0.000 0.294 550 A C -1.694 175.961 177.584 0.118 0.000 1.062 550 A CA -0.480 51.636 52.037 0.131 0.000 0.682 550 A CB 1.775 20.906 19.000 0.219 0.000 1.278 550 A HN 2.038 nan 8.150 nan 0.000 0.410 551 V N 2.306 122.268 119.914 0.081 0.000 2.709 551 V HA 0.891 5.015 4.120 0.007 0.000 0.308 551 V C -1.463 174.672 176.094 0.069 0.000 1.062 551 V CA -0.466 61.838 62.300 0.006 0.000 0.901 551 V CB 1.641 33.444 31.823 -0.034 0.000 1.003 551 V HN 1.641 nan 8.190 nan 0.000 0.425 552 Y N 3.737 124.068 120.300 0.051 0.000 2.677 552 Y HA 0.668 5.222 4.550 0.007 0.000 0.334 552 Y C -0.935 175.007 175.900 0.070 0.000 1.154 552 Y CA -1.424 56.713 58.100 0.062 0.000 1.070 552 Y CB 1.691 40.178 38.460 0.044 0.000 1.294 552 Y HN 0.560 nan 8.280 nan 0.000 0.475 553 N N 1.740 120.651 118.700 0.352 0.000 2.571 553 N HA 0.351 5.095 4.740 0.007 0.000 0.286 553 N C -2.503 173.170 175.510 0.272 0.000 1.138 553 N CA -0.245 52.965 53.050 0.268 0.000 0.859 553 N CB 1.937 40.544 38.487 0.200 0.000 1.414 553 N HN 0.860 nan 8.380 nan 0.000 0.529 554 L N 3.291 124.674 121.223 0.266 0.000 2.346 554 L HA 0.693 5.037 4.340 0.007 0.000 0.276 554 L C -0.685 176.224 176.870 0.066 0.000 1.006 554 L CA -0.100 54.791 54.840 0.085 0.000 0.817 554 L CB 1.732 43.803 42.059 0.019 0.000 1.272 554 L HN 0.538 nan 8.230 nan 0.000 0.421 555 T N 1.283 115.811 114.554 -0.043 0.000 3.011 555 T HA 0.367 4.721 4.350 0.007 0.000 0.303 555 T C -0.773 173.850 174.700 -0.129 0.000 0.997 555 T CA -0.830 61.255 62.100 -0.025 0.000 1.007 555 T CB 1.135 70.025 68.868 0.037 0.000 1.017 555 T HN 0.738 nan 8.240 nan 0.000 0.443 556 K N 2.633 122.939 120.400 -0.157 0.000 2.234 556 K HA 0.543 4.867 4.320 0.007 0.000 0.282 556 K C -0.027 176.544 176.600 -0.048 0.000 1.039 556 K CA -0.343 55.833 56.287 -0.185 0.000 0.928 556 K CB 0.884 33.241 32.500 -0.239 0.000 1.039 556 K HN 0.887 nan 8.250 nan 0.000 0.470 557 T N 1.188 115.719 114.554 -0.038 0.000 2.924 557 T HA 0.261 4.616 4.350 0.007 0.000 0.291 557 T C 0.109 174.811 174.700 0.004 0.000 1.045 557 T CA -0.435 61.665 62.100 0.000 0.000 1.015 557 T CB 1.139 70.013 68.868 0.010 0.000 1.103 557 T HN 0.860 nan 8.240 nan 0.000 0.496 558 N N 0.503 119.209 118.700 0.010 0.000 2.776 558 N HA -0.205 4.540 4.740 0.007 0.000 0.250 558 N C -0.618 174.884 175.510 -0.014 0.000 1.112 558 N CA 0.904 53.953 53.050 -0.001 0.000 0.733 558 N CB -1.628 36.865 38.487 0.010 0.000 1.097 558 N HN 0.961 nan 8.380 nan 0.000 0.558 559 N N 0.793 119.497 118.700 0.006 0.000 2.468 559 N HA 0.165 4.909 4.740 0.007 0.000 0.265 559 N C -0.056 175.448 175.510 -0.010 0.000 1.199 559 N CA -0.172 52.890 53.050 0.020 0.000 0.928 559 N CB 0.477 39.001 38.487 0.062 0.000 1.059 559 N HN 0.267 nan 8.380 nan 0.000 0.467 560 L N 2.984 124.174 121.223 -0.055 0.000 2.485 560 L HA 0.197 4.541 4.340 0.007 0.000 0.275 560 L C 0.748 177.606 176.870 -0.020 0.000 1.207 560 L CA -0.075 54.678 54.840 -0.145 0.000 0.855 560 L CB -0.089 41.845 42.059 -0.209 0.000 1.114 560 L HN 0.616 nan 8.230 nan 0.000 0.485 561 M N 1.531 121.106 119.600 -0.041 0.000 2.664 561 M HA 0.801 5.285 4.480 0.007 0.000 0.279 561 M C -0.678 175.622 176.300 0.001 0.000 1.275 561 M CA -0.897 54.418 55.300 0.024 0.000 0.829 561 M CB 1.978 34.595 32.600 0.028 0.000 1.727 561 M HN 0.499 nan 8.290 nan 0.000 0.459 562 A N 0.979 123.799 122.820 0.000 0.000 2.492 562 A HA 0.188 4.512 4.320 0.007 0.000 0.236 562 A C -0.422 177.158 177.584 -0.006 0.000 1.078 562 A CA 0.177 52.214 52.037 -0.001 0.000 0.773 562 A CB -0.087 18.885 19.000 -0.047 0.000 1.023 562 A HN 0.838 nan 8.150 nan 0.000 0.504 563 D N 0.750 121.161 120.400 0.019 0.000 2.317 563 D HA 0.342 4.986 4.640 0.007 0.000 0.252 563 D C -1.637 174.651 176.300 -0.020 0.000 1.174 563 D CA -1.763 52.248 54.000 0.018 0.000 0.866 563 D CB 1.126 41.960 40.800 0.056 0.000 1.127 563 D HN 0.104 nan 8.370 nan 0.000 0.467 564 P HA -0.073 nan 4.420 nan 0.000 0.217 564 P C 0.145 177.423 177.300 -0.037 0.000 1.150 564 P CA 0.748 63.825 63.100 -0.038 0.000 0.832 564 P CB 0.300 31.982 31.700 -0.031 0.000 0.787 565 E N -0.007 120.177 120.200 -0.027 0.000 2.528 565 E HA 0.283 4.637 4.350 0.007 0.000 0.237 565 E C 0.402 176.973 176.600 -0.048 0.000 1.408 565 E CA -0.075 56.307 56.400 -0.030 0.000 1.571 565 E CB -1.624 28.066 29.700 -0.018 0.000 1.395 565 E HN 0.083 nan 8.360 nan 0.000 0.438 566 G N 1.148 109.908 108.800 -0.066 0.000 2.381 566 G HA2 -0.237 3.728 3.960 0.007 0.000 0.206 566 G HA3 -0.237 3.728 3.960 0.007 0.000 0.206 566 G C 0.035 174.834 174.900 -0.169 0.000 0.274 566 G CA 0.847 45.880 45.100 -0.112 0.000 1.035 566 G HN 0.345 nan 8.290 nan 0.000 0.449 567 S N 0.961 116.553 115.700 -0.180 0.000 2.671 567 S HA 0.747 5.221 4.470 0.007 0.000 0.277 567 S C 0.353 174.805 174.600 -0.245 0.000 1.165 567 S CA -0.678 57.394 58.200 -0.214 0.000 0.822 567 S CB 0.776 64.016 63.200 0.067 0.000 1.150 567 S HN 0.556 nan 8.310 nan 0.000 0.479 568 F N 1.172 121.195 119.950 0.121 0.000 2.732 568 F HA 0.479 5.010 4.527 0.007 0.000 0.303 568 F C 0.074 175.763 175.800 -0.184 0.000 1.110 568 F CA -0.369 57.599 58.000 -0.054 0.000 1.355 568 F CB -0.066 38.843 39.000 -0.152 0.000 1.081 568 F HN 0.245 nan 8.300 nan 0.000 0.565 569 F N -0.982 119.077 119.950 0.182 0.000 2.483 569 F HA 0.510 5.041 4.527 0.007 0.000 0.329 569 F C 0.867 176.771 175.800 0.175 0.000 1.064 569 F CA -0.813 57.300 58.000 0.189 0.000 0.986 569 F CB 1.146 40.249 39.000 0.172 0.000 1.218 569 F HN -0.397 nan 8.300 nan 0.000 0.484 570 S N 0.277 116.236 115.700 0.433 0.000 2.738 570 S HA 0.809 5.283 4.470 0.007 0.000 0.284 570 S C -0.953 173.746 174.600 0.164 0.000 1.146 570 S CA -0.754 57.587 58.200 0.235 0.000 0.997 570 S CB 1.827 65.126 63.200 0.165 0.000 1.081 570 S HN 0.308 nan 8.310 nan 0.000 0.553 571 V N 1.377 121.244 119.914 -0.079 0.000 2.686 571 V HA 0.371 4.495 4.120 0.007 0.000 0.306 571 V C 0.140 176.047 176.094 -0.311 0.000 1.065 571 V CA -1.025 61.180 62.300 -0.157 0.000 0.894 571 V CB 1.434 33.242 31.823 -0.025 0.000 1.004 571 V HN 1.034 nan 8.190 nan 0.000 0.424 572 E N 2.720 122.678 120.200 -0.403 0.000 3.136 572 E HA 0.505 4.859 4.350 0.007 0.000 0.271 572 E C 0.967 177.502 176.600 -0.109 0.000 1.454 572 E CA -0.010 56.216 56.400 -0.290 0.000 1.194 572 E CB 0.187 29.755 29.700 -0.221 0.000 1.175 572 E HN 1.515 nan 8.360 nan 0.000 0.726 573 G N -0.917 107.849 108.800 -0.057 0.000 2.149 573 G HA2 -0.171 3.793 3.960 0.007 0.000 0.235 573 G HA3 -0.171 3.793 3.960 0.007 0.000 0.235 573 G C 0.260 175.161 174.900 0.001 0.000 1.018 573 G CA 0.007 45.098 45.100 -0.015 0.000 0.728 573 G HN 0.799 nan 8.290 nan 0.000 0.508 574 G N -1.080 107.723 108.800 0.005 0.000 2.552 574 G HA2 0.769 4.733 3.960 0.007 0.000 0.318 574 G HA3 0.769 4.733 3.960 0.007 0.000 0.318 574 G C -0.437 174.494 174.900 0.052 0.000 1.240 574 G CA 0.208 45.334 45.100 0.044 0.000 1.002 574 G HN 0.873 nan 8.290 nan 0.000 0.493 575 E N -1.094 119.154 120.200 0.079 0.000 2.381 575 E HA 0.414 4.768 4.350 0.007 0.000 0.286 575 E C -1.521 175.114 176.600 0.057 0.000 0.960 575 E CA -0.696 55.742 56.400 0.062 0.000 0.793 575 E CB 1.721 31.454 29.700 0.055 0.000 1.225 575 E HN 0.268 nan 8.360 nan 0.000 0.420 576 I N 2.851 123.447 120.570 0.044 0.000 2.740 576 I HA 0.543 4.718 4.170 0.007 0.000 0.303 576 I C -0.299 175.887 176.117 0.115 0.000 1.044 576 I CA -0.829 60.469 61.300 -0.004 0.000 1.064 576 I CB 1.903 39.899 38.000 -0.008 0.000 1.249 576 I HN 0.622 nan 8.210 nan 0.000 0.433 577 R N 2.958 123.499 120.500 0.068 0.000 2.621 577 R HA 0.783 5.127 4.340 0.007 0.000 0.292 577 R C -1.485 174.882 176.300 0.112 0.000 0.969 577 R CA -0.520 55.650 56.100 0.116 0.000 0.887 577 R CB 2.169 32.509 30.300 0.067 0.000 1.180 577 R HN 0.799 nan 8.270 nan 0.000 0.450 578 A N 4.875 127.833 122.820 0.230 0.000 2.319 578 A HA 0.593 4.917 4.320 0.007 0.000 0.310 578 A C -0.964 176.781 177.584 0.269 0.000 1.152 578 A CA -0.885 51.300 52.037 0.247 0.000 0.783 578 A CB 0.784 20.065 19.000 0.469 0.000 1.184 578 A HN 0.899 nan 8.150 nan 0.000 0.474 579 R N 1.827 122.371 120.500 0.073 0.000 2.725 579 R HA 0.906 5.250 4.340 0.007 0.000 0.277 579 R C 0.031 176.054 176.300 -0.462 0.000 0.987 579 R CA -0.230 55.779 56.100 -0.153 0.000 0.901 579 R CB 1.809 32.069 30.300 -0.067 0.000 1.207 579 R HN 1.681 nan 8.270 nan 0.000 0.463 580 G N 0.344 108.628 108.800 -0.859 0.000 2.333 580 G HA2 0.376 4.340 3.960 0.007 0.000 0.288 580 G HA3 0.376 4.340 3.960 0.007 0.000 0.288 580 G C -1.464 173.080 174.900 -0.593 0.000 1.286 580 G CA -0.286 44.472 45.100 -0.570 0.000 0.865 580 G HN 1.138 nan 8.290 nan 0.000 0.506 581 V N -2.642 117.197 119.914 -0.126 0.000 3.130 581 V HA 1.025 5.150 4.120 0.007 0.000 0.310 581 V C -0.963 175.153 176.094 0.037 0.000 1.158 581 V CA -0.464 61.828 62.300 -0.012 0.000 1.029 581 V CB 1.721 33.569 31.823 0.040 0.000 1.057 581 V HN 1.464 nan 8.190 nan 0.000 0.436 582 E N 3.171 123.418 120.200 0.079 0.000 2.354 582 E HA 0.693 5.047 4.350 0.007 0.000 0.283 582 E C -1.399 175.252 176.600 0.085 0.000 0.938 582 E CA -0.946 55.477 56.400 0.039 0.000 0.777 582 E CB 2.630 32.377 29.700 0.079 0.000 1.222 582 E HN 0.986 nan 8.360 nan 0.000 0.423 583 I N -0.798 119.829 120.570 0.094 0.000 2.534 583 I HA 0.582 4.756 4.170 0.007 0.000 0.288 583 I C -0.759 175.427 176.117 0.115 0.000 1.077 583 I CA -0.906 60.464 61.300 0.117 0.000 1.051 583 I CB 1.857 39.941 38.000 0.140 0.000 1.234 583 I HN 0.715 nan 8.210 nan 0.000 0.425 584 E N 5.237 125.496 120.200 0.097 0.000 2.359 584 E HA 0.928 5.282 4.350 0.007 0.000 0.266 584 E C -1.346 175.306 176.600 0.088 0.000 0.920 584 E CA -1.308 55.148 56.400 0.093 0.000 0.788 584 E CB 2.740 32.482 29.700 0.070 0.000 1.279 584 E HN 0.878 nan 8.360 nan 0.000 0.438 585 A N 1.813 124.687 122.820 0.089 0.000 2.491 585 A HA 0.522 4.846 4.320 0.007 0.000 0.293 585 A C -1.386 176.243 177.584 0.075 0.000 1.047 585 A CA -0.930 51.154 52.037 0.079 0.000 0.735 585 A CB 1.301 20.355 19.000 0.090 0.000 1.281 585 A HN 0.501 nan 8.150 nan 0.000 0.398 586 K N 0.723 121.151 120.400 0.047 0.000 2.427 586 K HA 0.856 5.181 4.320 0.007 0.000 0.252 586 K C -0.769 175.844 176.600 0.022 0.000 0.931 586 K CA -0.507 55.805 56.287 0.042 0.000 0.793 586 K CB 2.668 35.180 32.500 0.020 0.000 1.211 586 K HN 1.366 nan 8.250 nan 0.000 0.426 587 A N 0.857 123.698 122.820 0.034 0.000 2.599 587 A HA 0.637 4.961 4.320 0.007 0.000 0.294 587 A C -1.677 175.922 177.584 0.025 0.000 1.055 587 A CA -0.720 51.326 52.037 0.015 0.000 0.683 587 A CB 1.446 20.454 19.000 0.012 0.000 1.278 587 A HN 0.665 nan 8.150 nan 0.000 0.412 588 A N 1.697 124.522 122.820 0.008 0.000 3.094 588 A HA 0.522 4.846 4.320 0.007 0.000 0.288 588 A C 0.887 178.474 177.584 0.005 0.000 1.519 588 A CA -0.300 51.743 52.037 0.010 0.000 1.227 588 A CB -0.839 18.159 19.000 -0.003 0.000 1.175 588 A HN 1.013 nan 8.150 nan 0.000 0.568 589 L N 1.172 122.404 121.223 0.016 0.000 1.978 589 L HA -0.222 4.122 4.340 0.007 0.000 0.218 589 L C 2.420 179.291 176.870 0.002 0.000 1.075 589 L CA 2.828 57.676 54.840 0.013 0.000 0.767 589 L CB -1.001 41.070 42.059 0.020 0.000 0.890 589 L HN 0.768 nan 8.230 nan 0.000 0.434 590 S N -2.540 113.159 115.700 -0.001 0.000 4.311 590 S HA 0.639 5.113 4.470 0.007 0.000 0.200 590 S C 0.810 175.373 174.600 -0.060 0.000 1.007 590 S CA 0.102 58.286 58.200 -0.025 0.000 1.754 590 S CB 0.644 63.838 63.200 -0.010 0.000 0.728 590 S HN 0.161 nan 8.310 nan 0.000 0.760 591 A N -0.405 122.345 122.820 -0.116 0.000 2.701 591 A HA 0.645 4.970 4.320 0.007 0.000 0.241 591 A C 0.965 178.410 177.584 -0.231 0.000 1.231 591 A CA 0.174 52.093 52.037 -0.197 0.000 1.003 591 A CB 0.128 18.930 19.000 -0.329 0.000 1.281 591 A HN 0.498 nan 8.150 nan 0.000 0.600 592 S N -0.971 114.650 115.700 -0.130 0.000 2.728 592 S HA 0.310 4.784 4.470 0.007 0.000 0.257 592 S C -0.137 174.457 174.600 -0.010 0.000 1.060 592 S CA 0.108 58.236 58.200 -0.120 0.000 1.126 592 S CB 1.030 64.061 63.200 -0.281 0.000 1.099 592 S HN 0.138 nan 8.310 nan 0.000 0.617 593 V N 3.484 123.437 119.914 0.065 0.000 2.540 593 V HA 0.548 4.673 4.120 0.007 0.000 0.302 593 V C -1.100 175.029 176.094 0.059 0.000 1.035 593 V CA -0.718 61.641 62.300 0.099 0.000 0.873 593 V CB 1.879 33.761 31.823 0.098 0.000 0.992 593 V HN 0.283 nan 8.190 nan 0.000 0.428 594 N N 3.054 121.794 118.700 0.067 0.000 2.249 594 N HA 0.700 5.445 4.740 0.007 0.000 0.296 594 N C -1.474 174.107 175.510 0.119 0.000 1.051 594 N CA -0.295 52.816 53.050 0.101 0.000 0.815 594 N CB 2.743 41.323 38.487 0.155 0.000 1.487 594 N HN 0.348 nan 8.380 nan 0.000 0.475 595 V N 1.558 121.547 119.914 0.125 0.000 2.760 595 V HA 0.549 4.673 4.120 0.007 0.000 0.309 595 V C -0.429 175.768 176.094 0.172 0.000 1.077 595 V CA -0.721 61.664 62.300 0.142 0.000 0.910 595 V CB 2.334 34.206 31.823 0.081 0.000 1.008 595 V HN 0.332 nan 8.190 nan 0.000 0.424 596 V N 2.670 122.728 119.914 0.240 0.000 2.709 596 V HA 1.027 5.151 4.120 0.007 0.000 0.308 596 V C 0.301 176.546 176.094 0.251 0.000 1.062 596 V CA 0.104 62.525 62.300 0.201 0.000 0.901 596 V CB 1.879 33.788 31.823 0.144 0.000 1.003 596 V HN 1.162 nan 8.190 nan 0.000 0.425 597 G N 2.267 111.193 108.800 0.209 0.000 2.523 597 G HA2 0.810 4.774 3.960 0.007 0.000 0.291 597 G HA3 0.810 4.774 3.960 0.007 0.000 0.291 597 G C -1.040 173.968 174.900 0.179 0.000 1.450 597 G CA 0.163 45.398 45.100 0.225 0.000 0.790 597 G HN 1.368 nan 8.290 nan 0.000 0.496 598 S N -1.365 114.444 115.700 0.181 0.000 2.643 598 S HA 0.739 5.214 4.470 0.007 0.000 0.266 598 S C -2.025 172.711 174.600 0.226 0.000 1.130 598 S CA -0.825 57.476 58.200 0.169 0.000 0.817 598 S CB 1.818 65.097 63.200 0.131 0.000 1.107 598 S HN 2.162 nan 8.310 nan 0.000 0.471 599 Y N 0.353 120.691 120.300 0.063 0.000 2.513 599 Y HA 0.717 5.271 4.550 0.007 0.000 0.340 599 Y C -1.406 174.540 175.900 0.076 0.000 1.055 599 Y CA -0.410 57.724 58.100 0.056 0.000 1.020 599 Y CB 2.173 40.648 38.460 0.025 0.000 1.301 599 Y HN 0.992 nan 8.280 nan 0.000 0.453 600 T N 5.864 119.980 114.554 -0.729 0.000 2.881 600 T HA 0.350 4.704 4.350 0.007 0.000 0.290 600 T C -2.227 172.052 174.700 -0.701 0.000 1.000 600 T CA -0.463 61.300 62.100 -0.561 0.000 0.978 600 T CB 1.075 69.831 68.868 -0.187 0.000 0.997 600 T HN 0.456 nan 8.240 nan 0.000 0.443 601 Y N 2.470 122.446 120.300 -0.540 0.000 2.363 601 Y HA 0.521 5.075 4.550 0.007 0.000 0.325 601 Y C -0.784 175.064 175.900 -0.086 0.000 0.984 601 Y CA -0.746 57.206 58.100 -0.248 0.000 1.248 601 Y CB 1.045 39.394 38.460 -0.185 0.000 1.116 601 Y HN 0.607 nan 8.280 nan 0.000 0.470 602 T N 5.830 120.069 114.554 -0.526 0.000 2.809 602 T HA 0.198 4.552 4.350 0.007 0.000 0.284 602 T C -1.378 172.991 174.700 -0.552 0.000 0.992 602 T CA -0.685 61.158 62.100 -0.427 0.000 0.957 602 T CB 0.967 69.733 68.868 -0.171 0.000 0.942 602 T HN 0.554 nan 8.240 nan 0.000 0.439 603 D N 2.768 122.864 120.400 -0.506 0.000 2.441 603 D HA 0.525 5.169 4.640 0.007 0.000 0.231 603 D C -0.850 175.344 176.300 -0.178 0.000 1.073 603 D CA -0.398 53.402 54.000 -0.333 0.000 0.850 603 D CB 1.082 41.721 40.800 -0.268 0.000 1.062 603 D HN 0.648 nan 8.370 nan 0.000 0.524 604 A N 3.720 126.440 122.820 -0.166 0.000 2.342 604 A HA 0.694 5.019 4.320 0.007 0.000 0.323 604 A C -0.469 177.026 177.584 -0.148 0.000 1.125 604 A CA -0.633 51.297 52.037 -0.179 0.000 0.785 604 A CB 1.482 20.317 19.000 -0.274 0.000 1.221 604 A HN 0.601 nan 8.150 nan 0.000 0.463 605 E N 1.237 121.352 120.200 -0.141 0.000 2.378 605 E HA 0.380 4.735 4.350 0.007 0.000 0.283 605 E C -1.961 174.601 176.600 -0.064 0.000 0.979 605 E CA -0.544 55.813 56.400 -0.071 0.000 0.795 605 E CB 1.093 30.784 29.700 -0.016 0.000 1.221 605 E HN 0.609 nan 8.360 nan 0.000 0.428 606 Y N 2.271 122.546 120.300 -0.041 0.000 2.436 606 Y HA 0.101 4.655 4.550 0.007 0.000 0.336 606 Y C 1.397 177.303 175.900 0.010 0.000 1.049 606 Y CA 0.526 58.626 58.100 -0.000 0.000 1.294 606 Y CB 1.445 39.919 38.460 0.023 0.000 1.179 606 Y HN 0.566 nan 8.280 nan 0.000 0.520 607 T N 0.749 115.388 114.554 0.141 0.000 2.925 607 T HA -0.004 4.351 4.350 0.007 0.000 0.245 607 T C 0.426 175.183 174.700 0.095 0.000 1.025 607 T CA 0.911 63.069 62.100 0.095 0.000 1.149 607 T CB 0.163 69.072 68.868 0.068 0.000 0.866 607 T HN 0.473 nan 8.240 nan 0.000 0.437 608 T N 2.909 117.528 114.554 0.109 0.000 3.241 608 T HA 0.338 4.692 4.350 0.007 0.000 0.387 608 T C -1.306 173.459 174.700 0.107 0.000 1.451 608 T CA -0.617 61.533 62.100 0.083 0.000 1.363 608 T CB 0.604 69.507 68.868 0.059 0.000 1.074 608 T HN 0.134 nan 8.240 nan 0.000 0.598 609 D N 0.827 121.288 120.400 0.102 0.000 2.457 609 D HA 0.276 4.920 4.640 0.007 0.000 0.240 609 D C 0.847 177.126 176.300 -0.036 0.000 1.041 609 D CA -0.462 53.584 54.000 0.077 0.000 0.861 609 D CB 2.574 43.449 40.800 0.124 0.000 1.394 609 D HN 0.078 nan 8.370 nan 0.000 0.473 610 T N 0.888 115.400 114.554 -0.071 0.000 2.962 610 T HA -0.075 4.280 4.350 0.007 0.000 0.270 610 T C 1.366 175.934 174.700 -0.221 0.000 1.088 610 T CA 1.850 63.880 62.100 -0.117 0.000 1.127 610 T CB 0.122 68.934 68.868 -0.094 0.000 0.883 610 T HN 0.583 nan 8.240 nan 0.000 0.493 611 T N -1.269 113.051 114.554 -0.391 0.000 3.092 611 T HA 0.152 4.506 4.350 0.007 0.000 0.273 611 T C 0.088 174.327 174.700 -0.769 0.000 0.898 611 T CA -0.404 61.329 62.100 -0.612 0.000 0.868 611 T CB 0.083 68.465 68.868 -0.809 0.000 1.228 611 T HN 0.282 nan 8.240 nan 0.000 0.555 612 Y N 1.640 121.749 120.300 -0.318 0.000 2.682 612 Y HA 0.523 5.077 4.550 0.007 0.000 0.251 612 Y C 0.701 176.388 175.900 -0.355 0.000 1.172 612 Y CA -1.402 56.415 58.100 -0.473 0.000 1.186 612 Y CB 0.149 38.020 38.460 -0.981 0.000 1.216 612 Y HN 0.117 nan 8.280 nan 0.000 0.540 613 K N 0.729 121.079 120.400 -0.084 0.000 2.559 613 K HA 0.133 4.457 4.320 0.007 0.000 0.279 613 K C 1.391 178.003 176.600 0.020 0.000 0.967 613 K CA 1.442 57.741 56.287 0.019 0.000 1.000 613 K CB 0.025 32.526 32.500 0.002 0.000 0.890 613 K HN 0.618 nan 8.250 nan 0.000 0.501 614 G N 2.160 110.996 108.800 0.059 0.000 2.196 614 G HA2 -0.327 3.638 3.960 0.007 0.000 0.268 614 G HA3 -0.327 3.638 3.960 0.007 0.000 0.268 614 G C -0.216 174.681 174.900 -0.005 0.000 0.975 614 G CA 0.735 45.850 45.100 0.025 0.000 0.648 614 G HN 0.802 nan 8.290 nan 0.000 0.538 615 N N 0.176 118.888 118.700 0.019 0.000 2.430 615 N HA 0.586 5.330 4.740 0.007 0.000 0.298 615 N C 0.084 175.613 175.510 0.032 0.000 1.130 615 N CA -0.012 52.990 53.050 -0.080 0.000 0.894 615 N CB 1.104 39.499 38.487 -0.154 0.000 1.209 615 N HN 0.284 nan 8.380 nan 0.000 0.503 616 T N -1.011 113.430 114.554 -0.189 0.000 2.837 616 T HA 0.383 4.737 4.350 0.007 0.000 0.285 616 T C -2.706 171.927 174.700 -0.111 0.000 0.984 616 T CA -1.996 60.024 62.100 -0.133 0.000 1.049 616 T CB 1.422 70.218 68.868 -0.120 0.000 0.947 616 T HN 0.157 nan 8.240 nan 0.000 0.472 617 P HA 0.287 nan 4.420 nan 0.000 0.265 617 P C -0.189 177.042 177.300 -0.115 0.000 1.193 617 P CA -0.142 62.885 63.100 -0.121 0.000 0.765 617 P CB 0.188 31.698 31.700 -0.318 0.000 0.823 618 A N 3.636 126.393 122.820 -0.105 0.000 2.483 618 A HA 0.041 4.365 4.320 0.007 0.000 0.238 618 A C 0.941 178.478 177.584 -0.078 0.000 1.070 618 A CA 0.406 52.385 52.037 -0.098 0.000 0.770 618 A CB -0.456 18.466 19.000 -0.130 0.000 1.008 618 A HN 0.752 nan 8.150 nan 0.000 0.497 619 Q N -1.770 117.986 119.800 -0.073 0.000 2.325 619 Q HA -0.197 4.148 4.340 0.007 0.000 0.153 619 Q C 0.349 176.314 176.000 -0.059 0.000 0.593 619 Q CA 1.307 57.083 55.803 -0.045 0.000 1.337 619 Q CB -2.108 26.632 28.738 0.004 0.000 1.265 619 Q HN 1.495 nan 8.270 nan 0.000 0.987 620 V N 2.112 121.972 119.914 -0.090 0.000 2.408 620 V HA 0.479 4.603 4.120 0.007 0.000 0.267 620 V C -2.040 173.987 176.094 -0.112 0.000 1.047 620 V CA -1.430 60.803 62.300 -0.112 0.000 0.937 620 V CB 1.150 32.871 31.823 -0.169 0.000 0.999 620 V HN 0.025 nan 8.190 nan 0.000 0.472 621 P HA 0.362 nan 4.420 nan 0.000 0.279 621 P C -0.190 177.028 177.300 -0.136 0.000 1.252 621 P CA -0.485 62.528 63.100 -0.145 0.000 0.811 621 P CB 1.616 33.212 31.700 -0.174 0.000 1.035 622 K N -0.021 120.287 120.400 -0.153 0.000 2.098 622 K HA 0.028 4.353 4.320 0.007 0.000 0.203 622 K C 0.566 177.212 176.600 0.076 0.000 1.051 622 K CA 0.881 57.075 56.287 -0.155 0.000 0.957 622 K CB -0.067 32.276 32.500 -0.263 0.000 0.738 622 K HN 0.617 nan 8.250 nan 0.000 0.447 623 H N -0.638 118.451 119.070 0.032 0.000 2.538 623 H HA 0.443 5.003 4.556 0.007 0.000 0.353 623 H C -0.834 174.526 175.328 0.053 0.000 1.109 623 H CA -0.824 55.319 56.048 0.158 0.000 1.192 623 H CB 1.774 31.744 29.762 0.345 0.000 1.555 623 H HN -0.123 nan 8.280 nan 0.000 0.518 624 M N 2.115 121.849 119.600 0.222 0.000 2.371 624 M HA 0.597 5.081 4.480 0.007 0.000 0.287 624 M C -1.406 175.049 176.300 0.258 0.000 1.149 624 M CA -0.544 54.823 55.300 0.112 0.000 0.929 624 M CB 2.746 35.333 32.600 -0.021 0.000 1.683 624 M HN 0.699 nan 8.290 nan 0.000 0.470 625 A N 1.717 124.697 122.820 0.267 0.000 2.572 625 A HA 0.978 5.302 4.320 0.007 0.000 0.295 625 A C -1.148 176.523 177.584 0.144 0.000 1.072 625 A CA -0.627 51.573 52.037 0.272 0.000 0.691 625 A CB 1.833 21.005 19.000 0.286 0.000 1.291 625 A HN 0.823 nan 8.150 nan 0.000 0.404 626 S N 0.417 116.196 115.700 0.132 0.000 2.533 626 S HA 0.777 5.252 4.470 0.007 0.000 0.271 626 S C -1.303 173.436 174.600 0.232 0.000 1.143 626 S CA -0.578 57.676 58.200 0.091 0.000 0.891 626 S CB 1.218 64.400 63.200 -0.030 0.000 1.105 626 S HN 1.589 nan 8.310 nan 0.000 0.468 627 L N 2.478 123.895 121.223 0.323 0.000 2.526 627 L HA 0.802 5.146 4.340 0.007 0.000 0.263 627 L C -2.330 174.858 176.870 0.531 0.000 0.943 627 L CA -0.279 54.774 54.840 0.355 0.000 0.859 627 L CB 1.860 44.037 42.059 0.197 0.000 1.313 627 L HN 1.015 nan 8.230 nan 0.000 0.406 628 W N 5.072 126.513 121.300 0.236 0.000 3.372 628 W HA 0.763 5.427 4.660 0.007 0.000 0.315 628 W C -1.700 174.859 176.519 0.066 0.000 1.223 628 W CA -0.190 57.252 57.345 0.161 0.000 1.202 628 W CB 1.963 31.457 29.460 0.058 0.000 1.367 628 W HN 0.705 nan 8.180 nan 0.000 0.531 629 A N 4.084 126.525 122.820 -0.631 0.000 2.574 629 A HA 0.658 4.983 4.320 0.007 0.000 0.297 629 A C -1.779 175.155 177.584 -1.082 0.000 1.062 629 A CA -0.643 51.045 52.037 -0.581 0.000 0.686 629 A CB 1.546 20.406 19.000 -0.233 0.000 1.285 629 A HN 0.568 nan 8.150 nan 0.000 0.403 630 D N -0.327 119.673 120.400 -0.667 0.000 2.601 630 D HA 0.586 5.230 4.640 0.007 0.000 0.230 630 D C -1.328 174.914 176.300 -0.097 0.000 1.106 630 D CA -0.412 53.333 54.000 -0.424 0.000 0.873 630 D CB 1.372 42.050 40.800 -0.204 0.000 1.515 630 D HN 0.403 nan 8.370 nan 0.000 0.468 631 Y N 0.034 120.192 120.300 -0.237 0.000 2.391 631 Y HA 0.520 5.075 4.550 0.007 0.000 0.341 631 Y C -0.991 174.748 175.900 -0.269 0.000 0.965 631 Y CA -0.505 57.443 58.100 -0.254 0.000 1.067 631 Y CB 2.197 40.448 38.460 -0.348 0.000 1.199 631 Y HN 0.421 nan 8.280 nan 0.000 0.450 632 T N 6.408 120.505 114.554 -0.762 0.000 2.859 632 T HA 0.482 4.837 4.350 0.007 0.000 0.281 632 T C -1.173 173.081 174.700 -0.744 0.000 1.005 632 T CA -0.343 61.445 62.100 -0.520 0.000 1.025 632 T CB 0.571 69.403 68.868 -0.061 0.000 0.977 632 T HN 0.326 nan 8.240 nan 0.000 0.458 633 F N 1.724 121.480 119.950 -0.323 0.000 2.415 633 F HA 0.494 5.026 4.527 0.007 0.000 0.348 633 F C 0.325 176.033 175.800 -0.152 0.000 1.119 633 F CA -1.201 56.689 58.000 -0.183 0.000 1.069 633 F CB 0.933 39.843 39.000 -0.150 0.000 1.124 633 F HN 0.578 nan 8.300 nan 0.000 0.472 634 F N -0.192 119.798 119.950 0.068 0.000 2.680 634 F HA 0.189 4.720 4.527 0.007 0.000 0.290 634 F C 0.598 176.437 175.800 0.064 0.000 1.114 634 F CA 0.017 58.043 58.000 0.043 0.000 1.333 634 F CB 0.158 39.160 39.000 0.004 0.000 1.091 634 F HN 0.265 nan 8.300 nan 0.000 0.606 635 D N -1.224 119.326 120.400 0.250 0.000 2.467 635 D HA 0.544 5.188 4.640 0.007 0.000 0.245 635 D C 0.451 176.805 176.300 0.090 0.000 1.038 635 D CA 0.606 54.697 54.000 0.152 0.000 1.038 635 D CB 1.092 41.978 40.800 0.143 0.000 1.278 635 D HN 0.200 nan 8.370 nan 0.000 0.564 636 G N 0.597 109.426 108.800 0.049 0.000 2.894 636 G HA2 -0.178 3.787 3.960 0.007 0.000 0.247 636 G HA3 -0.178 3.787 3.960 0.007 0.000 0.247 636 G C -1.493 173.385 174.900 -0.037 0.000 1.442 636 G CA -0.238 44.861 45.100 -0.003 0.000 0.897 636 G HN 0.432 nan 8.290 nan 0.000 0.550 637 P HA -0.151 nan 4.420 nan 0.000 0.215 637 P C 1.996 179.225 177.300 -0.119 0.000 1.163 637 P CA 2.101 65.158 63.100 -0.073 0.000 0.894 637 P CB -0.111 31.536 31.700 -0.088 0.000 0.791 638 L N -0.260 120.801 121.223 -0.269 0.000 2.633 638 L HA 0.009 4.353 4.340 0.007 0.000 0.235 638 L C 1.437 178.170 176.870 -0.229 0.000 1.163 638 L CA 0.096 54.700 54.840 -0.393 0.000 0.859 638 L CB -1.112 40.440 42.059 -0.844 0.000 0.973 638 L HN -0.001 nan 8.230 nan 0.000 0.451 639 S N 0.760 116.408 115.700 -0.087 0.000 2.811 639 S HA 0.177 4.651 4.470 0.007 0.000 0.325 639 S C 1.265 175.848 174.600 -0.028 0.000 1.224 639 S CA 0.900 59.087 58.200 -0.021 0.000 1.125 639 S CB -0.028 63.185 63.200 0.021 0.000 0.867 639 S HN 0.718 nan 8.310 nan 0.000 0.512 640 G N 3.410 112.125 108.800 -0.141 0.000 2.339 640 G HA2 -0.215 3.749 3.960 0.007 0.000 0.209 640 G HA3 -0.215 3.749 3.960 0.007 0.000 0.209 640 G C -0.016 174.805 174.900 -0.133 0.000 1.015 640 G CA -0.106 44.941 45.100 -0.088 0.000 0.635 640 G HN 1.018 nan 8.290 nan 0.000 0.499 641 L N 2.754 123.803 121.223 -0.291 0.000 2.483 641 L HA 0.668 5.012 4.340 0.007 0.000 0.276 641 L C 0.015 176.848 176.870 -0.062 0.000 1.213 641 L CA 0.965 55.650 54.840 -0.257 0.000 0.843 641 L CB 0.978 42.882 42.059 -0.258 0.000 1.107 641 L HN 0.209 nan 8.230 nan 0.000 0.487 642 T N 6.131 120.653 114.554 -0.053 0.000 2.921 642 T HA 0.572 4.926 4.350 0.007 0.000 0.297 642 T C -0.754 173.936 174.700 -0.017 0.000 1.013 642 T CA -0.401 61.665 62.100 -0.057 0.000 0.990 642 T CB 1.012 69.859 68.868 -0.035 0.000 1.023 642 T HN 0.484 nan 8.240 nan 0.000 0.447 643 L N 2.604 123.811 121.223 -0.028 0.000 2.349 643 L HA 0.776 5.120 4.340 0.007 0.000 0.278 643 L C 0.463 177.284 176.870 -0.082 0.000 0.996 643 L CA -0.768 54.065 54.840 -0.011 0.000 0.825 643 L CB 1.823 43.903 42.059 0.035 0.000 1.243 643 L HN 0.787 nan 8.230 nan 0.000 0.412 644 G N 0.460 109.221 108.800 -0.066 0.000 2.481 644 G HA2 0.681 4.645 3.960 0.007 0.000 0.315 644 G HA3 0.681 4.645 3.960 0.007 0.000 0.315 644 G C -1.248 173.536 174.900 -0.192 0.000 1.231 644 G CA -0.399 44.539 45.100 -0.269 0.000 0.968 644 G HN 0.390 nan 8.290 nan 0.000 0.482 645 T N -1.186 113.042 114.554 -0.543 0.000 2.942 645 T HA 0.770 5.124 4.350 0.007 0.000 0.327 645 T C -0.278 174.229 174.700 -0.322 0.000 1.360 645 T CA 0.436 62.423 62.100 -0.189 0.000 1.055 645 T CB 1.497 70.315 68.868 -0.084 0.000 1.261 645 T HN 1.773 nan 8.240 nan 0.000 0.485 646 G N 0.315 109.270 108.800 0.259 0.000 2.550 646 G HA2 0.713 4.677 3.960 0.007 0.000 0.293 646 G HA3 0.713 4.677 3.960 0.007 0.000 0.293 646 G C -0.731 174.444 174.900 0.458 0.000 1.402 646 G CA -0.133 45.269 45.100 0.503 0.000 0.784 646 G HN 1.106 nan 8.290 nan 0.000 0.482 647 G N -0.760 108.281 108.800 0.403 0.000 2.696 647 G HA2 0.680 4.644 3.960 0.007 0.000 0.295 647 G HA3 0.680 4.644 3.960 0.007 0.000 0.295 647 G C -1.343 173.608 174.900 0.085 0.000 1.398 647 G CA -0.813 44.424 45.100 0.228 0.000 0.920 647 G HN 0.558 nan 8.290 nan 0.000 0.492 648 R N 0.553 121.057 120.500 0.007 0.000 2.483 648 R HA 0.298 4.642 4.340 0.007 0.000 0.303 648 R C -1.804 174.516 176.300 0.032 0.000 0.987 648 R CA -0.811 55.230 56.100 -0.098 0.000 0.881 648 R CB 2.506 32.642 30.300 -0.274 0.000 1.177 648 R HN 0.568 nan 8.270 nan 0.000 0.451 649 Y N 1.874 122.125 120.300 -0.082 0.000 2.330 649 Y HA 0.376 4.930 4.550 0.007 0.000 0.336 649 Y C -0.742 175.052 175.900 -0.177 0.000 1.036 649 Y CA -0.216 57.822 58.100 -0.103 0.000 1.125 649 Y CB 1.834 40.264 38.460 -0.048 0.000 1.194 649 Y HN 0.455 nan 8.280 nan 0.000 0.469 650 T N 5.526 119.397 114.554 -1.139 0.000 2.841 650 T HA 0.516 4.870 4.350 0.007 0.000 0.285 650 T C 0.252 174.173 174.700 -1.298 0.000 0.991 650 T CA -0.470 60.968 62.100 -1.102 0.000 0.966 650 T CB 1.182 69.270 68.868 -1.300 0.000 0.962 650 T HN 0.976 nan 8.240 nan 0.000 0.438 651 G N 1.959 110.284 108.800 -0.792 0.000 2.651 651 G HA2 0.446 4.410 3.960 0.007 0.000 0.260 651 G HA3 0.446 4.410 3.960 0.007 0.000 0.260 651 G C 0.395 175.058 174.900 -0.395 0.000 1.216 651 G CA -0.622 44.182 45.100 -0.492 0.000 0.913 651 G HN 0.854 nan 8.290 nan 0.000 0.535 652 S N -1.463 114.074 115.700 -0.271 0.000 2.593 652 S HA 0.563 5.037 4.470 0.007 0.000 0.269 652 S C 0.192 174.622 174.600 -0.282 0.000 1.334 652 S CA 0.182 58.231 58.200 -0.252 0.000 1.015 652 S CB 1.502 64.564 63.200 -0.229 0.000 0.912 652 S HN 1.046 nan 8.310 nan 0.000 0.541 653 S N 0.123 115.642 115.700 -0.302 0.000 2.607 653 S HA 0.586 5.060 4.470 0.007 0.000 0.273 653 S C -1.858 172.490 174.600 -0.419 0.000 1.148 653 S CA -0.834 57.190 58.200 -0.294 0.000 0.833 653 S CB 0.567 63.660 63.200 -0.178 0.000 1.130 653 S HN 0.639 nan 8.310 nan 0.000 0.470 654 Y N 0.812 120.935 120.300 -0.295 0.000 2.299 654 Y HA 0.456 5.010 4.550 0.007 0.000 0.326 654 Y C 1.560 177.112 175.900 -0.580 0.000 1.164 654 Y CA 0.188 58.035 58.100 -0.423 0.000 1.234 654 Y CB 1.096 39.370 38.460 -0.310 0.000 1.219 654 Y HN 0.839 nan 8.280 nan 0.000 0.497 655 G N 1.509 109.728 108.800 -0.969 0.000 3.314 655 G HA2 0.246 4.210 3.960 0.007 0.000 0.238 655 G HA3 0.246 4.210 3.960 0.007 0.000 0.238 655 G C -0.915 173.669 174.900 -0.527 0.000 1.184 655 G CA 0.145 44.597 45.100 -1.081 0.000 0.806 655 G HN 0.724 nan 8.290 nan 0.000 0.536 656 D N -3.371 116.819 120.400 -0.349 0.000 2.912 656 D HA 0.088 4.732 4.640 0.007 0.000 0.263 656 D C -2.754 173.405 176.300 -0.235 0.000 1.152 656 D CA -1.288 52.581 54.000 -0.218 0.000 0.728 656 D CB 0.623 41.380 40.800 -0.071 0.000 1.337 656 D HN -0.147 nan 8.370 nan 0.000 0.435 657 P HA -0.056 nan 4.420 nan 0.000 0.216 657 P C 1.229 178.260 177.300 -0.449 0.000 1.150 657 P CA 2.619 65.351 63.100 -0.613 0.000 0.843 657 P CB 0.056 31.062 31.700 -1.156 0.000 0.787 658 A N -1.002 121.726 122.820 -0.154 0.000 2.248 658 A HA -0.099 4.225 4.320 0.007 0.000 0.210 658 A C 0.661 178.217 177.584 -0.047 0.000 1.174 658 A CA 0.508 52.569 52.037 0.041 0.000 0.750 658 A CB -1.371 17.688 19.000 0.097 0.000 0.780 658 A HN 0.114 nan 8.150 nan 0.000 0.478 659 N N -0.628 117.983 118.700 -0.148 0.000 2.716 659 N HA -0.174 4.570 4.740 0.007 0.000 0.250 659 N C 0.907 176.463 175.510 0.077 0.000 1.033 659 N CA 0.990 53.937 53.050 -0.171 0.000 0.727 659 N CB -1.462 36.652 38.487 -0.621 0.000 0.950 659 N HN 0.580 nan 8.380 nan 0.000 0.541 660 S N -0.702 115.061 115.700 0.105 0.000 2.355 660 S HA 0.019 4.494 4.470 0.007 0.000 0.210 660 S C 0.719 175.463 174.600 0.239 0.000 1.035 660 S CA 1.042 59.355 58.200 0.189 0.000 1.011 660 S CB 0.050 63.408 63.200 0.264 0.000 1.000 660 S HN 0.380 nan 8.310 nan 0.000 0.423 661 F N 0.747 120.701 119.950 0.005 0.000 2.410 661 F HA 0.809 5.341 4.527 0.007 0.000 0.324 661 F C -0.282 175.481 175.800 -0.061 0.000 1.093 661 F CA -1.460 56.519 58.000 -0.035 0.000 1.028 661 F CB 0.562 39.516 39.000 -0.077 0.000 1.309 661 F HN -0.030 nan 8.300 nan 0.000 0.499 662 K N 1.280 121.553 120.400 -0.212 0.000 2.443 662 K HA 0.521 4.846 4.320 0.007 0.000 0.252 662 K C -1.576 174.875 176.600 -0.248 0.000 0.933 662 K CA -1.116 54.921 56.287 -0.417 0.000 0.792 662 K CB 2.899 35.134 32.500 -0.442 0.000 1.185 662 K HN 0.639 nan 8.250 nan 0.000 0.425 663 V N 2.549 122.286 119.914 -0.295 0.000 2.614 663 V HA 0.244 4.368 4.120 0.007 0.000 0.291 663 V C 0.628 176.663 176.094 -0.099 0.000 1.049 663 V CA 0.237 62.458 62.300 -0.130 0.000 1.038 663 V CB 1.035 32.790 31.823 -0.114 0.000 0.980 663 V HN 0.894 nan 8.190 nan 0.000 0.481 664 G N 4.624 113.417 108.800 -0.012 0.000 2.716 664 G HA2 0.342 4.306 3.960 0.007 0.000 0.251 664 G HA3 0.342 4.306 3.960 0.007 0.000 0.251 664 G C 0.105 175.002 174.900 -0.004 0.000 1.224 664 G CA 0.198 45.301 45.100 0.006 0.000 0.891 664 G HN 1.197 nan 8.290 nan 0.000 0.561 665 S N -0.861 114.816 115.700 -0.039 0.000 2.541 665 S HA 0.713 5.187 4.470 0.007 0.000 0.283 665 S C -0.742 173.822 174.600 -0.059 0.000 1.196 665 S CA -0.675 57.411 58.200 -0.190 0.000 1.062 665 S CB 1.250 64.376 63.200 -0.123 0.000 1.009 665 S HN 1.021 nan 8.310 nan 0.000 0.502 666 Y N -1.412 118.764 120.300 -0.207 0.000 2.553 666 Y HA 0.819 5.373 4.550 0.007 0.000 0.347 666 Y C -0.851 174.945 175.900 -0.173 0.000 1.019 666 Y CA -1.153 56.833 58.100 -0.190 0.000 1.032 666 Y CB 1.142 39.375 38.460 -0.379 0.000 1.284 666 Y HN 0.579 nan 8.280 nan 0.000 0.466 667 T N 3.102 117.754 114.554 0.163 0.000 2.881 667 T HA 0.585 4.940 4.350 0.007 0.000 0.291 667 T C -0.928 173.833 174.700 0.101 0.000 0.990 667 T CA -0.682 61.522 62.100 0.173 0.000 0.976 667 T CB 1.089 70.085 68.868 0.213 0.000 0.970 667 T HN 0.996 nan 8.240 nan 0.000 0.438 668 V N 1.126 121.095 119.914 0.091 0.000 2.864 668 V HA 0.976 5.100 4.120 0.007 0.000 0.314 668 V C -0.719 175.481 176.094 0.177 0.000 1.073 668 V CA -0.807 61.560 62.300 0.112 0.000 0.956 668 V CB 1.917 33.772 31.823 0.054 0.000 1.023 668 V HN 0.592 nan 8.190 nan 0.000 0.435 669 V N 2.405 122.471 119.914 0.253 0.000 2.715 669 V HA 0.633 4.757 4.120 0.007 0.000 0.310 669 V C -0.828 175.430 176.094 0.273 0.000 1.054 669 V CA -0.234 62.242 62.300 0.293 0.000 0.928 669 V CB 1.939 33.999 31.823 0.395 0.000 1.007 669 V HN 1.144 nan 8.190 nan 0.000 0.437 670 D N 1.719 122.327 120.400 0.346 0.000 2.419 670 D HA 0.879 5.524 4.640 0.007 0.000 0.234 670 D C -0.475 176.062 176.300 0.394 0.000 1.014 670 D CA -0.164 54.059 54.000 0.371 0.000 0.919 670 D CB 2.074 43.156 40.800 0.470 0.000 1.366 670 D HN 0.914 nan 8.370 nan 0.000 0.490 671 A N 0.550 123.573 122.820 0.339 0.000 2.572 671 A HA 0.744 5.068 4.320 0.007 0.000 0.295 671 A C -2.028 175.712 177.584 0.260 0.000 1.072 671 A CA -0.605 51.592 52.037 0.266 0.000 0.691 671 A CB 1.358 20.433 19.000 0.125 0.000 1.291 671 A HN 0.446 nan 8.150 nan 0.000 0.404 672 L N 1.106 122.453 121.223 0.206 0.000 2.431 672 L HA 0.823 5.167 4.340 0.007 0.000 0.266 672 L C -1.632 175.265 176.870 0.046 0.000 0.978 672 L CA -0.412 54.519 54.840 0.152 0.000 0.822 672 L CB 2.270 44.500 42.059 0.286 0.000 1.310 672 L HN 0.550 nan 8.230 nan 0.000 0.409 673 V N 5.070 124.965 119.914 -0.033 0.000 2.488 673 V HA 0.630 4.754 4.120 0.007 0.000 0.293 673 V C -0.666 175.386 176.094 -0.070 0.000 1.027 673 V CA -0.545 61.731 62.300 -0.040 0.000 0.862 673 V CB 1.672 33.471 31.823 -0.040 0.000 1.008 673 V HN 0.798 nan 8.190 nan 0.000 0.428 674 R N 3.907 124.388 120.500 -0.031 0.000 2.502 674 R HA 0.465 4.809 4.340 0.007 0.000 0.298 674 R C -1.928 174.401 176.300 0.048 0.000 1.018 674 R CA -0.532 55.564 56.100 -0.008 0.000 0.899 674 R CB 1.505 31.806 30.300 0.002 0.000 1.181 674 R HN 0.759 nan 8.270 nan 0.000 0.444 675 Y N 2.870 123.139 120.300 -0.051 0.000 2.320 675 Y HA 0.186 4.740 4.550 0.007 0.000 0.334 675 Y C -0.385 175.479 175.900 -0.059 0.000 1.055 675 Y CA -0.963 57.109 58.100 -0.047 0.000 1.143 675 Y CB 1.409 39.848 38.460 -0.036 0.000 1.193 675 Y HN 0.654 nan 8.280 nan 0.000 0.477 676 D N 5.545 126.194 120.400 0.415 0.000 2.393 676 D HA 0.084 4.728 4.640 0.007 0.000 0.232 676 D C 0.299 176.583 176.300 -0.027 0.000 1.192 676 D CA -0.170 53.897 54.000 0.112 0.000 0.882 676 D CB 0.843 41.672 40.800 0.048 0.000 1.038 676 D HN 0.530 nan 8.370 nan 0.000 0.499 677 L N 3.508 124.670 121.223 -0.101 0.000 2.651 677 L HA -0.031 4.313 4.340 0.007 0.000 0.236 677 L C 2.195 179.022 176.870 -0.071 0.000 1.173 677 L CA 0.854 55.609 54.840 -0.141 0.000 0.843 677 L CB -1.092 40.931 42.059 -0.059 0.000 0.964 677 L HN 0.593 nan 8.230 nan 0.000 0.454 678 A N -1.116 121.682 122.820 -0.036 0.000 2.067 678 A HA -0.156 4.169 4.320 0.007 0.000 0.219 678 A C 2.339 179.914 177.584 -0.015 0.000 1.158 678 A CA 0.787 52.820 52.037 -0.006 0.000 0.661 678 A CB -0.398 18.605 19.000 0.004 0.000 0.801 678 A HN 0.252 nan 8.150 nan 0.000 0.452 679 R N -0.221 120.254 120.500 -0.042 0.000 2.357 679 R HA 0.025 4.369 4.340 0.007 0.000 0.202 679 R C -0.339 175.931 176.300 -0.050 0.000 1.047 679 R CA 0.620 56.702 56.100 -0.030 0.000 1.034 679 R CB -0.186 30.108 30.300 -0.010 0.000 0.875 679 R HN 0.293 nan 8.270 nan 0.000 0.473 680 V N -0.518 119.363 119.914 -0.056 0.000 2.724 680 V HA 0.207 4.332 4.120 0.007 0.000 0.341 680 V C 0.796 176.892 176.094 0.003 0.000 1.254 680 V CA 0.252 62.530 62.300 -0.036 0.000 1.261 680 V CB 0.838 32.620 31.823 -0.067 0.000 1.445 680 V HN 0.434 nan 8.190 nan 0.000 0.652 681 G N 1.697 110.506 108.800 0.015 0.000 2.220 681 G HA2 -0.323 3.642 3.960 0.007 0.000 0.269 681 G HA3 -0.323 3.642 3.960 0.007 0.000 0.269 681 G C 0.238 175.173 174.900 0.058 0.000 0.977 681 G CA 0.713 45.834 45.100 0.035 0.000 0.634 681 G HN 0.521 nan 8.290 nan 0.000 0.539 682 M N 1.554 121.192 119.600 0.063 0.000 2.325 682 M HA 0.630 5.114 4.480 0.007 0.000 0.305 682 M C 0.659 177.004 176.300 0.074 0.000 1.047 682 M CA -0.006 55.355 55.300 0.102 0.000 0.981 682 M CB 1.478 34.176 32.600 0.165 0.000 1.307 682 M HN 0.434 nan 8.290 nan 0.000 0.418 683 A N 1.350 124.210 122.820 0.067 0.000 2.475 683 A HA 0.585 4.910 4.320 0.007 0.000 0.239 683 A C 1.358 178.973 177.584 0.051 0.000 1.087 683 A CA 0.906 52.973 52.037 0.050 0.000 0.779 683 A CB -0.340 18.692 19.000 0.053 0.000 1.036 683 A HN 1.106 nan 8.150 nan 0.000 0.506 684 G N 0.313 109.130 108.800 0.029 0.000 5.359 684 G HA2 -0.309 3.655 3.960 0.007 0.000 0.333 684 G HA3 -0.309 3.655 3.960 0.007 0.000 0.333 684 G C 0.916 175.810 174.900 -0.010 0.000 1.365 684 G CA 0.837 45.947 45.100 0.017 0.000 1.008 684 G HN 1.765 nan 8.290 nan 0.000 0.816 685 S N 2.248 117.948 115.700 -0.001 0.000 2.715 685 S HA 0.345 4.819 4.470 0.007 0.000 0.318 685 S C 0.445 174.975 174.600 -0.118 0.000 1.242 685 S CA 1.268 59.422 58.200 -0.077 0.000 1.044 685 S CB 0.129 63.353 63.200 0.041 0.000 0.760 685 S HN 1.327 nan 8.310 nan 0.000 0.501 686 N N -0.584 117.996 118.700 -0.200 0.000 2.853 686 N HA 0.643 5.387 4.740 0.007 0.000 0.258 686 N C -1.281 174.118 175.510 -0.186 0.000 1.444 686 N CA -1.055 51.913 53.050 -0.138 0.000 0.837 686 N CB 1.226 39.684 38.487 -0.049 0.000 1.489 686 N HN 0.385 nan 8.380 nan 0.000 0.529 687 V N -3.578 116.281 119.914 -0.091 0.000 2.577 687 V HA 1.032 5.156 4.120 0.007 0.000 0.303 687 V C -0.681 175.390 176.094 -0.037 0.000 1.042 687 V CA -0.551 61.706 62.300 -0.072 0.000 0.872 687 V CB 0.540 32.339 31.823 -0.041 0.000 0.998 687 V HN 1.216 nan 8.190 nan 0.000 0.423 688 A N 4.609 127.382 122.820 -0.079 0.000 2.587 688 A HA 0.939 5.263 4.320 0.007 0.000 0.293 688 A C -1.706 175.674 177.584 -0.341 0.000 1.087 688 A CA -0.747 51.177 52.037 -0.187 0.000 0.692 688 A CB 1.911 20.776 19.000 -0.226 0.000 1.291 688 A HN 1.003 nan 8.150 nan 0.000 0.407 689 L N 2.453 123.459 121.223 -0.362 0.000 2.307 689 L HA 0.517 4.861 4.340 0.007 0.000 0.284 689 L C -0.504 176.107 176.870 -0.432 0.000 1.023 689 L CA -0.011 54.649 54.840 -0.301 0.000 0.810 689 L CB 1.398 43.385 42.059 -0.119 0.000 1.231 689 L HN 0.670 nan 8.230 nan 0.000 0.423 690 H N 3.104 122.195 119.070 0.036 0.000 2.489 690 H HA 0.672 5.233 4.556 0.007 0.000 0.343 690 H C -1.070 174.295 175.328 0.062 0.000 1.086 690 H CA -0.632 55.451 56.048 0.059 0.000 1.198 690 H CB 2.216 32.008 29.762 0.048 0.000 1.490 690 H HN 0.227 nan 8.280 nan 0.000 0.504 691 V N 3.766 123.796 119.914 0.193 0.000 2.577 691 V HA 0.190 4.314 4.120 0.007 0.000 0.303 691 V C -0.123 176.070 176.094 0.164 0.000 1.042 691 V CA -0.947 61.431 62.300 0.130 0.000 0.872 691 V CB 1.892 33.753 31.823 0.064 0.000 0.998 691 V HN 0.711 nan 8.190 nan 0.000 0.423 692 N N 4.401 123.180 118.700 0.131 0.000 2.392 692 N HA 0.323 5.067 4.740 0.007 0.000 0.283 692 N C -0.130 175.449 175.510 0.115 0.000 1.003 692 N CA -0.284 52.849 53.050 0.138 0.000 0.892 692 N CB 1.493 40.049 38.487 0.114 0.000 1.193 692 N HN 0.811 nan 8.380 nan 0.000 0.487 693 N N 2.353 121.137 118.700 0.140 0.000 2.573 693 N HA -0.176 4.568 4.740 0.007 0.000 0.275 693 N C 0.563 176.125 175.510 0.087 0.000 1.208 693 N CA 0.064 53.202 53.050 0.147 0.000 0.688 693 N CB -0.655 37.930 38.487 0.165 0.000 0.882 693 N HN 0.693 nan 8.380 nan 0.000 0.548 694 L N 1.100 122.346 121.223 0.039 0.000 1.970 694 L HA -0.145 4.199 4.340 0.007 0.000 0.212 694 L C 1.214 177.888 176.870 -0.327 0.000 1.071 694 L CA 1.806 56.525 54.840 -0.202 0.000 0.751 694 L CB -0.229 41.590 42.059 -0.400 0.000 0.889 694 L HN 0.413 nan 8.230 nan 0.000 0.432 695 F N 0.401 120.395 119.950 0.073 0.000 2.740 695 F HA 0.042 4.573 4.527 0.007 0.000 0.294 695 F C 0.649 176.487 175.800 0.063 0.000 1.225 695 F CA -0.207 57.830 58.000 0.061 0.000 1.426 695 F CB -1.192 37.843 39.000 0.059 0.000 1.021 695 F HN 0.155 nan 8.300 nan 0.000 0.508 696 D N 1.662 122.139 120.400 0.129 0.000 2.813 696 D HA -0.298 4.346 4.640 0.007 0.000 0.218 696 D C 0.579 176.969 176.300 0.150 0.000 1.240 696 D CA 0.324 54.390 54.000 0.111 0.000 0.644 696 D CB -0.364 40.468 40.800 0.054 0.000 0.966 696 D HN 0.239 nan 8.370 nan 0.000 0.398 697 R N 1.077 121.703 120.500 0.210 0.000 2.643 697 R HA 0.227 4.571 4.340 0.007 0.000 0.270 697 R C -0.135 176.319 176.300 0.256 0.000 1.061 697 R CA 0.274 56.513 56.100 0.231 0.000 1.107 697 R CB 0.554 30.992 30.300 0.231 0.000 0.999 697 R HN 0.295 nan 8.270 nan 0.000 0.460 698 E N 4.236 124.567 120.200 0.220 0.000 2.063 698 E HA 0.184 4.538 4.350 0.007 0.000 0.265 698 E C -1.319 175.509 176.600 0.380 0.000 0.919 698 E CA -0.455 56.046 56.400 0.169 0.000 0.756 698 E CB 0.618 30.346 29.700 0.045 0.000 1.120 698 E HN 0.540 nan 8.360 nan 0.000 0.414 699 Y N -0.904 119.544 120.300 0.245 0.000 2.609 699 Y HA 0.655 5.209 4.550 0.007 0.000 0.342 699 Y C -1.066 174.978 175.900 0.239 0.000 1.058 699 Y CA -1.504 56.726 58.100 0.217 0.000 1.055 699 Y CB 0.684 39.111 38.460 -0.055 0.000 1.292 699 Y HN -0.003 nan 8.280 nan 0.000 0.476 700 V N 2.920 122.899 119.914 0.108 0.000 2.370 700 V HA 0.526 4.651 4.120 0.007 0.000 0.279 700 V C 0.905 177.046 176.094 0.078 0.000 1.029 700 V CA 0.094 62.304 62.300 -0.150 0.000 0.870 700 V CB 0.544 32.181 31.823 -0.311 0.000 0.984 700 V HN 1.151 nan 8.190 nan 0.000 0.451 701 A N 4.431 127.264 122.820 0.021 0.000 1.873 701 A HA 0.203 4.527 4.320 0.007 0.000 0.215 701 A C 1.056 178.800 177.584 0.267 0.000 1.186 701 A CA 1.491 53.669 52.037 0.234 0.000 0.616 701 A CB -0.075 19.025 19.000 0.167 0.000 0.823 701 A HN 1.296 nan 8.150 nan 0.000 0.442 702 S N -4.375 111.421 115.700 0.160 0.000 2.655 702 S HA 0.462 4.936 4.470 0.007 0.000 0.263 702 S C -1.203 173.389 174.600 -0.014 0.000 1.091 702 S CA -0.472 57.780 58.200 0.086 0.000 0.865 702 S CB 0.319 63.597 63.200 0.129 0.000 1.146 702 S HN 0.815 nan 8.310 nan 0.000 0.482 703 c N 1.371 119.911 118.600 -0.101 0.000 2.880 703 c HA 0.679 5.254 4.570 0.007 0.000 0.320 703 c C 0.653 174.614 174.090 -0.216 0.000 1.176 703 c CA -0.826 55.332 56.329 -0.285 0.000 1.390 703 c CB 0.570 42.964 42.510 -0.194 0.000 1.846 703 c HN 1.006 nan 8.230 nan 0.000 0.478 704 F N 0.392 120.127 119.950 -0.358 0.000 2.749 704 F HA 0.451 4.982 4.527 0.007 0.000 0.300 704 F C 0.409 175.967 175.800 -0.404 0.000 1.103 704 F CA 0.124 57.935 58.000 -0.315 0.000 1.342 704 F CB -0.021 38.802 39.000 -0.296 0.000 1.098 704 F HN 0.550 nan 8.300 nan 0.000 0.586 705 N N -0.211 117.784 118.700 -1.175 0.000 3.452 705 N HA -0.008 4.737 4.740 0.007 0.000 0.231 705 N C 0.802 175.780 175.510 -0.886 0.000 1.264 705 N CA 0.590 53.016 53.050 -1.040 0.000 0.928 705 N CB 1.313 38.848 38.487 -1.586 0.000 1.547 705 N HN 0.051 nan 8.380 nan 0.000 0.509 706 T N -0.395 113.902 114.554 -0.427 0.000 2.755 706 T HA -0.278 4.076 4.350 0.007 0.000 0.266 706 T C 1.477 175.866 174.700 -0.518 0.000 1.041 706 T CA 2.164 63.967 62.100 -0.496 0.000 1.147 706 T CB -0.736 67.943 68.868 -0.316 0.000 0.847 706 T HN 0.646 nan 8.240 nan 0.000 0.478 707 Y N -0.040 119.946 120.300 -0.524 0.000 2.467 707 Y HA 0.700 5.254 4.550 0.007 0.000 0.250 707 Y C 1.086 176.635 175.900 -0.585 0.000 1.155 707 Y CA -1.237 56.594 58.100 -0.448 0.000 1.249 707 Y CB -0.060 38.204 38.460 -0.327 0.000 1.146 707 Y HN 0.222 nan 8.280 nan 0.000 0.524 708 G N 0.979 109.046 108.800 -1.222 0.000 4.160 708 G HA2 0.466 4.430 3.960 0.007 0.000 0.341 708 G HA3 0.466 4.430 3.960 0.007 0.000 0.341 708 G C -1.093 173.022 174.900 -1.308 0.000 1.510 708 G CA -0.293 43.972 45.100 -1.391 0.000 1.011 708 G HN 0.279 nan 8.290 nan 0.000 0.491 709 c N 0.473 118.470 118.600 -1.005 0.000 2.407 709 c HA 0.885 5.460 4.570 0.007 0.000 0.366 709 c C -0.784 172.645 174.090 -1.101 0.000 1.213 709 c CA -0.581 55.160 56.329 -0.980 0.000 2.011 709 c CB 0.798 42.978 42.510 -0.551 0.000 2.306 709 c HN 0.559 nan 8.230 nan 0.000 0.527 710 F N -0.619 119.259 119.950 -0.121 0.000 2.574 710 F HA 0.366 4.897 4.527 0.007 0.000 0.313 710 F C -0.565 175.160 175.800 -0.124 0.000 1.130 710 F CA -0.850 57.142 58.000 -0.013 0.000 0.936 710 F CB 0.475 39.516 39.000 0.068 0.000 1.219 710 F HN 0.624 nan 8.300 nan 0.000 0.445 711 W N 1.690 123.084 121.300 0.156 0.000 2.218 711 W HA 0.541 5.205 4.660 0.007 0.000 0.326 711 W C 0.875 177.262 176.519 -0.221 0.000 1.276 711 W CA -0.247 57.061 57.345 -0.063 0.000 1.210 711 W CB 1.005 30.428 29.460 -0.061 0.000 1.143 711 W HN 0.727 nan 8.180 nan 0.000 0.563 712 G N 1.184 109.791 108.800 -0.321 0.000 2.572 712 G HA2 0.453 4.418 3.960 0.007 0.000 0.261 712 G HA3 0.453 4.418 3.960 0.007 0.000 0.261 712 G C -0.559 174.071 174.900 -0.451 0.000 1.197 712 G CA -0.758 43.806 45.100 -0.893 0.000 0.870 712 G HN 0.741 nan 8.290 nan 0.000 0.548 713 A N 0.519 123.202 122.820 -0.228 0.000 2.511 713 A HA 0.423 4.747 4.320 0.007 0.000 0.242 713 A C 0.844 178.413 177.584 -0.026 0.000 1.069 713 A CA -0.032 51.970 52.037 -0.057 0.000 0.763 713 A CB -0.056 18.958 19.000 0.023 0.000 1.001 713 A HN 0.808 nan 8.150 nan 0.000 0.498 714 E N 2.364 122.546 120.200 -0.030 0.000 2.369 714 E HA 0.313 4.667 4.350 0.007 0.000 0.255 714 E C 0.278 176.894 176.600 0.026 0.000 1.172 714 E CA -0.923 55.469 56.400 -0.013 0.000 0.932 714 E CB 0.523 30.187 29.700 -0.059 0.000 1.040 714 E HN 0.667 nan 8.360 nan 0.000 0.454 715 R N 0.778 121.298 120.500 0.033 0.000 2.566 715 R HA -0.158 4.187 4.340 0.007 0.000 0.273 715 R C -0.547 175.763 176.300 0.017 0.000 0.981 715 R CA 0.638 56.758 56.100 0.033 0.000 1.091 715 R CB 0.383 30.691 30.300 0.013 0.000 0.924 715 R HN 0.684 nan 8.270 nan 0.000 0.411 716 Q N 4.104 123.921 119.800 0.028 0.000 2.294 716 Q HA 0.320 4.664 4.340 0.007 0.000 0.264 716 Q C -1.750 174.268 176.000 0.029 0.000 0.992 716 Q CA -0.857 54.958 55.803 0.019 0.000 0.747 716 Q CB 1.908 30.661 28.738 0.025 0.000 1.262 716 Q HN 0.495 nan 8.270 nan 0.000 0.452 717 V N 3.681 123.602 119.914 0.011 0.000 2.472 717 V HA 0.576 4.700 4.120 0.007 0.000 0.290 717 V C -0.367 175.740 176.094 0.021 0.000 1.037 717 V CA -0.622 61.690 62.300 0.021 0.000 0.908 717 V CB 1.697 33.519 31.823 -0.002 0.000 0.985 717 V HN 0.589 nan 8.190 nan 0.000 0.454 718 V N 3.396 123.350 119.914 0.066 0.000 2.577 718 V HA 0.779 4.903 4.120 0.007 0.000 0.303 718 V C 0.065 176.226 176.094 0.111 0.000 1.042 718 V CA -0.526 61.824 62.300 0.082 0.000 0.872 718 V CB 1.881 33.774 31.823 0.116 0.000 0.998 718 V HN 1.022 nan 8.190 nan 0.000 0.423 719 A N 3.507 126.364 122.820 0.062 0.000 2.304 719 A HA 0.924 5.248 4.320 0.007 0.000 0.323 719 A C 0.111 177.749 177.584 0.090 0.000 1.195 719 A CA -0.257 51.805 52.037 0.042 0.000 0.826 719 A CB 1.228 20.237 19.000 0.016 0.000 1.184 719 A HN 0.988 nan 8.150 nan 0.000 0.496 720 T N -1.230 113.380 114.554 0.093 0.000 2.906 720 T HA 0.827 5.182 4.350 0.007 0.000 0.295 720 T C -0.552 174.178 174.700 0.049 0.000 1.075 720 T CA -0.206 61.963 62.100 0.114 0.000 1.005 720 T CB 1.906 70.883 68.868 0.181 0.000 1.136 720 T HN 1.833 nan 8.240 nan 0.000 0.498 721 A N 1.666 124.510 122.820 0.040 0.000 2.385 721 A HA 0.697 5.022 4.320 0.007 0.000 0.290 721 A C -0.190 177.234 177.584 -0.268 0.000 1.094 721 A CA -0.800 51.168 52.037 -0.115 0.000 0.729 721 A CB 1.099 20.163 19.000 0.107 0.000 1.194 721 A HN 0.882 nan 8.150 nan 0.000 0.442 722 T N 2.038 116.330 114.554 -0.437 0.000 2.797 722 T HA 0.644 4.998 4.350 0.007 0.000 0.279 722 T C -1.102 173.240 174.700 -0.598 0.000 0.991 722 T CA 0.059 61.935 62.100 -0.373 0.000 0.979 722 T CB 0.332 69.087 68.868 -0.188 0.000 0.943 722 T HN 0.332 nan 8.240 nan 0.000 0.444 723 F N 2.114 121.935 119.950 -0.217 0.000 2.500 723 F HA 0.414 4.946 4.527 0.007 0.000 0.349 723 F C 0.928 176.497 175.800 -0.385 0.000 1.127 723 F CA -0.965 56.851 58.000 -0.307 0.000 0.998 723 F CB 1.366 40.059 39.000 -0.513 0.000 1.237 723 F HN 0.288 nan 8.300 nan 0.000 0.439 724 R N 4.160 124.651 120.500 -0.015 0.000 4.231 724 R HA 0.292 4.636 4.340 0.007 0.000 0.250 724 R C 0.121 176.519 176.300 0.163 0.000 1.600 724 R CA -0.489 55.629 56.100 0.030 0.000 1.523 724 R CB -0.006 30.319 30.300 0.042 0.000 1.422 724 R HN 0.551 nan 8.270 nan 0.000 0.759 725 F N 0.000 120.075 119.950 0.209 0.000 2.286 725 F HA 0.000 4.531 4.527 0.007 0.000 0.279 725 F CA 0.000 58.096 58.000 0.161 0.000 1.383 725 F CB 0.000 39.092 39.000 0.154 0.000 1.145 725 F HN 0.000 nan 8.300 nan 0.000 0.574