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 1w91_1_B DATA FIRST_RESID 4 DATA SEQUENCE VNVPSNGREK FKKNWKFCVG TGRLGLALQK EYLDHLKLVQ EKIGFRYIRG DATA SEQUENCE HGLLSDDVGI YREVEIDGEM KPFYNFTYID RIVDSYLALN IRPFIEFGFM DATA SEQUENCE PKALASGDQT VFYWKGNVTP PKDYNKWRDL IVAVVSHFIE RYGIEEVRTW DATA SEQUENCE LFEVWNEPNL VNFWKDANKQ EYFKLYEVTA RAVKSVDPHL QVGGPAICGG DATA SEQUENCE SDEWITDFLH FCAERRVPVD FVSRHAYTSK APHKKTFEYY YQELEPPEDM DATA SEQUENCE LEQFKTVRAL IRQSPFPHLP LHITEYNTSY SPINPVHDTA LNAAYIARIL DATA SEQUENCE SEGGDYVDSF SYWTFSDVFE EMDVPKALFH GGFGLVALHS IPKPTFHAFT DATA SEQUENCE FFNALGDELL YRDGEMIVTR RKDGSIAAVL WNLVMEKGEG LTKEVQLVIP DATA SEQUENCE VSFSAVFIKR QIVNEQYGNA WRVWKQMGRP RFPSRQAVET LRQVAQPHVM DATA SEQUENCE TEQRRATDGV IHLSIVLSKN EVTLIEIEQV RDETSTYVGL DDGEITSYS 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 175.921 176.094 -0.288 0.000 1.182 4 V CA 0.000 62.127 62.300 -0.288 0.000 1.235 4 V CB 0.000 31.581 31.823 -0.403 0.000 1.184 5 N N 2.821 121.351 118.700 -0.283 0.000 2.462 5 N HA 0.446 5.186 4.740 0.000 0.000 0.242 5 N C -0.412 174.935 175.510 -0.271 0.000 1.010 5 N CA -0.170 52.746 53.050 -0.222 0.000 0.939 5 N CB 2.209 40.614 38.487 -0.136 0.000 1.127 5 N HN 0.528 nan 8.380 nan 0.000 0.509 6 V N 4.648 124.413 119.914 -0.248 0.000 2.455 6 V HA 0.228 4.348 4.120 0.000 0.000 0.273 6 V C -1.895 174.132 176.094 -0.111 0.000 1.045 6 V CA -1.497 60.683 62.300 -0.200 0.000 0.976 6 V CB 0.766 32.492 31.823 -0.162 0.000 0.993 6 V HN 0.474 nan 8.190 nan 0.000 0.475 7 P HA 0.110 nan 4.420 nan 0.000 0.269 7 P C 0.844 178.118 177.300 -0.043 0.000 1.209 7 P CA -0.094 62.984 63.100 -0.037 0.000 0.776 7 P CB 0.672 32.372 31.700 0.000 0.000 0.876 8 S N 0.817 116.485 115.700 -0.053 0.000 2.522 8 S HA 0.023 4.493 4.470 0.000 0.000 0.227 8 S C 0.618 175.192 174.600 -0.043 0.000 0.986 8 S CA 0.410 58.570 58.200 -0.066 0.000 0.929 8 S CB -0.508 62.641 63.200 -0.084 0.000 0.769 8 S HN 0.363 nan 8.310 nan 0.000 0.529 9 N N -0.385 118.302 118.700 -0.022 0.000 2.312 9 N HA 0.536 5.276 4.740 0.000 0.000 0.296 9 N C 0.451 175.967 175.510 0.011 0.000 1.193 9 N CA -0.095 52.952 53.050 -0.005 0.000 0.773 9 N CB 1.806 40.290 38.487 -0.004 0.000 1.435 9 N HN 0.252 nan 8.380 nan 0.000 0.484 10 G N -0.377 108.435 108.800 0.021 0.000 2.834 10 G HA2 0.116 4.076 3.960 0.000 0.000 0.204 10 G HA3 0.116 4.076 3.960 0.000 0.000 0.204 10 G C 0.665 175.586 174.900 0.036 0.000 1.176 10 G CA 0.250 45.370 45.100 0.034 0.000 0.818 10 G HN 0.609 nan 8.290 nan 0.000 0.638 11 R N -0.292 120.229 120.500 0.035 0.000 1.193 11 R HA -0.152 4.188 4.340 0.000 0.000 0.018 11 R C 0.433 176.759 176.300 0.043 0.000 0.960 11 R CA 1.805 57.926 56.100 0.035 0.000 1.987 11 R CB -1.409 28.909 30.300 0.029 0.000 0.132 11 R HN 0.479 nan 8.270 nan 0.000 0.732 12 E N 1.788 122.017 120.200 0.048 0.000 2.373 12 E HA 0.210 4.560 4.350 0.000 0.000 0.263 12 E C -0.515 176.136 176.600 0.084 0.000 1.073 12 E CA -0.009 56.428 56.400 0.060 0.000 0.894 12 E CB 0.811 30.546 29.700 0.058 0.000 1.008 12 E HN -0.030 nan 8.360 nan 0.000 0.420 13 K N 1.635 122.093 120.400 0.098 0.000 2.270 13 K HA 0.245 4.565 4.320 0.000 0.000 0.255 13 K C -1.249 175.467 176.600 0.192 0.000 0.936 13 K CA -0.650 55.713 56.287 0.127 0.000 0.809 13 K CB 0.655 33.208 32.500 0.089 0.000 1.131 13 K HN 0.262 nan 8.250 nan 0.000 0.427 14 F N 4.206 124.208 119.950 0.087 0.000 2.444 14 F HA 0.288 4.815 4.527 0.000 0.000 0.360 14 F C -0.119 175.786 175.800 0.176 0.000 1.106 14 F CA -0.355 57.717 58.000 0.120 0.000 1.170 14 F CB 0.279 39.349 39.000 0.117 0.000 1.113 14 F HN 0.379 nan 8.300 nan 0.000 0.521 15 K N 5.294 125.499 120.400 -0.325 0.000 2.107 15 K HA 0.233 4.553 4.320 0.000 0.000 0.251 15 K C 0.396 176.817 176.600 -0.298 0.000 1.012 15 K CA -0.639 55.514 56.287 -0.223 0.000 0.920 15 K CB 0.831 33.277 32.500 -0.090 0.000 1.033 15 K HN 0.564 nan 8.250 nan 0.000 0.478 16 K N 1.072 121.413 120.400 -0.098 0.000 2.437 16 K HA 0.034 4.354 4.320 0.000 0.000 0.198 16 K C 0.541 177.014 176.600 -0.210 0.000 1.024 16 K CA -0.014 56.195 56.287 -0.130 0.000 1.148 16 K CB 0.022 32.467 32.500 -0.092 0.000 0.860 16 K HN 0.404 nan 8.250 nan 0.000 0.515 17 N N 1.308 119.985 118.700 -0.038 0.000 2.184 17 N HA -0.216 4.524 4.740 0.000 0.000 0.190 17 N C 1.184 176.668 175.510 -0.044 0.000 1.011 17 N CA 1.203 54.279 53.050 0.043 0.000 0.867 17 N CB -0.226 38.362 38.487 0.168 0.000 0.993 17 N HN 0.529 nan 8.380 nan 0.000 0.433 18 W N 1.867 123.106 121.300 -0.102 0.000 2.525 18 W HA -0.029 4.631 4.660 0.000 0.000 0.259 18 W C 0.401 176.851 176.519 -0.115 0.000 1.253 18 W CA 0.742 57.852 57.345 -0.392 0.000 1.262 18 W CB -0.449 28.953 29.460 -0.096 0.000 1.122 18 W HN 0.233 nan 8.180 nan 0.000 0.607 19 K N -1.019 118.903 120.400 -0.796 0.000 2.592 19 K HA 0.128 4.448 4.320 0.000 0.000 0.203 19 K C 1.092 177.644 176.600 -0.080 0.000 1.070 19 K CA -0.544 55.428 56.287 -0.525 0.000 1.062 19 K CB -1.011 30.660 32.500 -1.380 0.000 0.814 19 K HN -0.081 nan 8.250 nan 0.000 0.502 20 F N 1.356 121.222 119.950 -0.140 0.000 2.102 20 F HA -0.010 4.517 4.527 0.000 0.000 0.298 20 F C 0.615 176.491 175.800 0.126 0.000 1.105 20 F CA 0.620 58.628 58.000 0.014 0.000 1.239 20 F CB 0.262 39.279 39.000 0.027 0.000 0.991 20 F HN 0.262 nan 8.300 nan 0.000 0.474 21 C N 0.117 119.505 119.300 0.147 0.000 2.898 21 C HA 0.761 5.221 4.460 0.000 0.000 0.304 21 C C -0.927 173.869 174.990 -0.325 0.000 1.237 21 C CA -0.840 58.145 59.018 -0.056 0.000 1.529 21 C CB 0.965 28.751 27.740 0.076 0.000 2.021 21 C HN 0.084 nan 8.230 nan 0.000 0.474 22 V N 3.380 122.929 119.914 -0.610 0.000 2.925 22 V HA 0.872 4.992 4.120 0.000 0.000 0.311 22 V C 0.444 176.267 176.094 -0.452 0.000 1.104 22 V CA 0.543 62.351 62.300 -0.820 0.000 0.954 22 V CB 2.057 32.827 31.823 -1.756 0.000 1.022 22 V HN 1.276 nan 8.190 nan 0.000 0.427 23 G N 2.075 110.691 108.800 -0.307 0.000 2.572 23 G HA2 0.554 4.514 3.960 0.000 0.000 0.261 23 G HA3 0.554 4.514 3.960 0.000 0.000 0.261 23 G C -0.309 174.413 174.900 -0.296 0.000 1.197 23 G CA 0.341 45.312 45.100 -0.214 0.000 0.870 23 G HN 1.048 nan 8.290 nan 0.000 0.548 24 T N -1.398 112.946 114.554 -0.350 0.000 2.883 24 T HA 0.634 4.985 4.350 0.000 0.000 0.301 24 T C 0.703 175.238 174.700 -0.275 0.000 1.158 24 T CA 0.349 62.372 62.100 -0.128 0.000 1.007 24 T CB 1.149 70.160 68.868 0.237 0.000 1.186 24 T HN 0.954 nan 8.240 nan 0.000 0.499 25 G N 1.479 110.273 108.800 -0.011 0.000 2.631 25 G HA2 0.411 4.371 3.960 0.000 0.000 0.271 25 G HA3 0.411 4.371 3.960 0.000 0.000 0.271 25 G C 0.071 174.899 174.900 -0.121 0.000 1.302 25 G CA -0.696 44.355 45.100 -0.081 0.000 1.002 25 G HN 1.059 nan 8.290 nan 0.000 0.519 26 R N -0.561 119.777 120.500 -0.270 0.000 2.623 26 R HA 0.099 4.439 4.340 0.000 0.000 0.271 26 R C 1.005 177.148 176.300 -0.263 0.000 1.043 26 R CA -0.487 55.442 56.100 -0.285 0.000 1.083 26 R CB 0.370 30.209 30.300 -0.768 0.000 0.974 26 R HN 0.367 nan 8.270 nan 0.000 0.436 27 L N 2.795 123.912 121.223 -0.175 0.000 2.127 27 L HA -0.148 4.192 4.340 0.000 0.000 0.211 27 L C 2.444 179.151 176.870 -0.271 0.000 1.089 27 L CA 1.978 56.725 54.840 -0.155 0.000 0.757 27 L CB -1.008 41.022 42.059 -0.049 0.000 0.899 27 L HN 1.095 nan 8.230 nan 0.000 0.434 28 G N 0.364 108.993 108.800 -0.286 0.000 2.469 28 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 28 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 28 G C 1.612 176.283 174.900 -0.382 0.000 1.136 28 G CA 0.461 45.372 45.100 -0.315 0.000 0.759 28 G HN 0.318 nan 8.290 nan 0.000 0.562 29 L N 0.657 121.644 121.223 -0.393 0.000 2.353 29 L HA -0.033 4.307 4.340 0.000 0.000 0.220 29 L C 3.187 179.660 176.870 -0.661 0.000 1.133 29 L CA 0.597 55.204 54.840 -0.389 0.000 0.798 29 L CB -0.290 41.623 42.059 -0.242 0.000 0.922 29 L HN 0.301 nan 8.230 nan 0.000 0.445 30 A N 0.103 122.380 122.820 -0.906 0.000 2.172 30 A HA -0.058 4.262 4.320 0.000 0.000 0.216 30 A C 2.139 179.352 177.584 -0.617 0.000 1.154 30 A CA 0.863 52.163 52.037 -1.229 0.000 0.701 30 A CB -0.496 17.961 19.000 -0.905 0.000 0.789 30 A HN 0.424 nan 8.150 nan 0.000 0.465 31 L N -0.435 120.502 121.223 -0.477 0.000 2.376 31 L HA -0.090 4.250 4.340 0.000 0.000 0.219 31 L C 0.950 177.674 176.870 -0.243 0.000 1.133 31 L CA 0.279 54.906 54.840 -0.355 0.000 0.816 31 L CB -0.438 41.355 42.059 -0.443 0.000 0.933 31 L HN 0.442 nan 8.230 nan 0.000 0.449 32 Q N 0.556 120.220 119.800 -0.225 0.000 2.332 32 Q HA -0.041 4.299 4.340 0.000 0.000 0.263 32 Q C 0.898 176.867 176.000 -0.052 0.000 0.979 32 Q CA -0.132 55.598 55.803 -0.121 0.000 0.885 32 Q CB 1.378 30.056 28.738 -0.100 0.000 1.218 32 Q HN -0.034 nan 8.270 nan 0.000 0.405 33 K N 2.708 123.078 120.400 -0.050 0.000 2.063 33 K HA -0.277 4.043 4.320 0.000 0.000 0.208 33 K C 1.618 178.201 176.600 -0.029 0.000 1.048 33 K CA 2.047 58.318 56.287 -0.026 0.000 0.928 33 K CB 0.049 32.533 32.500 -0.027 0.000 0.713 33 K HN 0.592 nan 8.250 nan 0.000 0.442 34 E N -0.759 119.391 120.200 -0.082 0.000 2.110 34 E HA -0.216 4.134 4.350 0.000 0.000 0.193 34 E C 1.915 178.315 176.600 -0.333 0.000 0.988 34 E CA 1.418 57.697 56.400 -0.203 0.000 0.804 34 E CB -0.501 29.046 29.700 -0.254 0.000 0.745 34 E HN 0.514 nan 8.360 nan 0.000 0.458 35 Y N 0.441 120.562 120.300 -0.297 0.000 2.128 35 Y HA -0.191 4.359 4.550 0.000 0.000 0.284 35 Y C 1.803 177.712 175.900 0.016 0.000 1.154 35 Y CA 1.921 59.920 58.100 -0.168 0.000 1.149 35 Y CB -0.066 38.352 38.460 -0.069 0.000 0.976 35 Y HN 0.057 nan 8.280 nan 0.000 0.505 36 L N -0.266 121.113 121.223 0.261 0.000 2.093 36 L HA -0.209 4.131 4.340 0.000 0.000 0.208 36 L C 2.064 178.996 176.870 0.103 0.000 1.085 36 L CA 1.248 56.200 54.840 0.186 0.000 0.755 36 L CB -0.684 41.446 42.059 0.119 0.000 0.904 36 L HN 0.209 nan 8.230 nan 0.000 0.435 37 D N -0.369 120.073 120.400 0.070 0.000 2.126 37 D HA -0.233 4.407 4.640 0.000 0.000 0.190 37 D C 2.031 178.446 176.300 0.191 0.000 1.001 37 D CA 1.693 55.756 54.000 0.105 0.000 0.841 37 D CB -0.449 40.421 40.800 0.117 0.000 0.949 37 D HN 0.503 nan 8.370 nan 0.000 0.446 38 H N -0.212 118.876 119.070 0.031 0.000 2.389 38 H HA 0.046 4.602 4.556 0.000 0.000 0.299 38 H C 2.352 177.779 175.328 0.165 0.000 1.081 38 H CA 0.028 56.103 56.048 0.045 0.000 1.345 38 H CB 0.218 29.947 29.762 -0.055 0.000 1.393 38 H HN 0.061 nan 8.280 nan 0.000 0.520 39 L N 1.195 122.576 121.223 0.264 0.000 2.056 39 L HA -0.186 4.155 4.340 0.000 0.000 0.207 39 L C 2.549 179.412 176.870 -0.013 0.000 1.078 39 L CA 1.263 56.064 54.840 -0.064 0.000 0.749 39 L CB -0.252 41.665 42.059 -0.237 0.000 0.901 39 L HN 0.215 nan 8.230 nan 0.000 0.433 40 K N 0.016 120.439 120.400 0.039 0.000 2.044 40 K HA -0.262 4.058 4.320 0.000 0.000 0.210 40 K C 2.171 178.807 176.600 0.061 0.000 1.049 40 K CA 1.618 57.928 56.287 0.039 0.000 0.927 40 K CB -0.178 32.350 32.500 0.047 0.000 0.713 40 K HN 0.318 nan 8.250 nan 0.000 0.443 41 L N 0.797 122.075 121.223 0.092 0.000 2.017 41 L HA -0.186 4.154 4.340 0.000 0.000 0.208 41 L C 2.277 179.270 176.870 0.206 0.000 1.073 41 L CA 1.371 56.280 54.840 0.115 0.000 0.745 41 L CB -0.301 41.788 42.059 0.050 0.000 0.894 41 L HN 0.109 nan 8.230 nan 0.000 0.432 42 V N -0.214 119.838 119.914 0.230 0.000 2.392 42 V HA -0.291 3.829 4.120 0.000 0.000 0.249 42 V C 2.546 178.677 176.094 0.062 0.000 1.059 42 V CA 1.565 64.010 62.300 0.241 0.000 1.051 42 V CB -0.464 31.519 31.823 0.267 0.000 0.658 42 V HN 0.542 nan 8.190 nan 0.000 0.455 43 Q N -0.659 119.152 119.800 0.017 0.000 2.245 43 Q HA -0.122 4.218 4.340 0.000 0.000 0.201 43 Q C 2.176 178.154 176.000 -0.037 0.000 0.955 43 Q CA 0.992 56.766 55.803 -0.049 0.000 0.870 43 Q CB -0.070 28.625 28.738 -0.072 0.000 0.945 43 Q HN 0.710 nan 8.270 nan 0.000 0.461 44 E N 0.475 120.684 120.200 0.015 0.000 2.072 44 E HA -0.102 4.249 4.350 0.000 0.000 0.191 44 E C 1.673 178.293 176.600 0.034 0.000 0.985 44 E CA 0.866 57.284 56.400 0.031 0.000 0.801 44 E CB 0.252 29.989 29.700 0.062 0.000 0.750 44 E HN 0.132 nan 8.360 nan 0.000 0.452 45 K N -0.627 119.807 120.400 0.057 0.000 2.354 45 K HA 0.173 4.493 4.320 0.000 0.000 0.194 45 K C 1.657 178.218 176.600 -0.064 0.000 1.045 45 K CA 0.335 56.652 56.287 0.050 0.000 1.026 45 K CB 0.887 33.494 32.500 0.179 0.000 0.866 45 K HN 0.140 nan 8.250 nan 0.000 0.530 46 I N -0.843 119.627 120.570 -0.166 0.000 3.518 46 I HA 0.142 4.312 4.170 0.000 0.000 0.260 46 I C 0.575 176.440 176.117 -0.419 0.000 1.148 46 I CA 0.286 61.389 61.300 -0.328 0.000 1.440 46 I CB 0.491 38.139 38.000 -0.586 0.000 1.485 46 I HN 0.109 nan 8.210 nan 0.000 0.456 47 G N 2.439 110.982 108.800 -0.429 0.000 2.756 47 G HA2 -0.203 3.757 3.960 0.000 0.000 0.272 47 G HA3 -0.203 3.757 3.960 0.000 0.000 0.272 47 G C -0.312 174.325 174.900 -0.438 0.000 1.128 47 G CA -0.650 44.255 45.100 -0.324 0.000 1.145 47 G HN 0.097 nan 8.290 nan 0.000 0.545 48 F N 0.009 119.789 119.950 -0.283 0.000 2.459 48 F HA 0.426 4.953 4.527 0.000 0.000 0.346 48 F C 2.069 177.634 175.800 -0.391 0.000 1.128 48 F CA -0.438 57.357 58.000 -0.342 0.000 1.268 48 F CB 0.675 39.467 39.000 -0.348 0.000 1.161 48 F HN 0.154 nan 8.300 nan 0.000 0.583 49 R N 1.028 121.389 120.500 -0.231 0.000 2.100 49 R HA 0.029 4.369 4.340 0.000 0.000 0.220 49 R C -0.611 175.175 176.300 -0.857 0.000 1.091 49 R CA 0.932 56.726 56.100 -0.509 0.000 0.986 49 R CB 0.037 30.036 30.300 -0.502 0.000 0.888 49 R HN 0.508 nan 8.270 nan 0.000 0.444 50 Y N -0.869 119.123 120.300 -0.514 0.000 2.602 50 Y HA 0.524 5.074 4.550 0.000 0.000 0.342 50 Y C -0.441 175.165 175.900 -0.491 0.000 1.029 50 Y CA -1.072 56.714 58.100 -0.524 0.000 1.080 50 Y CB 1.874 40.023 38.460 -0.519 0.000 1.284 50 Y HN -0.169 nan 8.280 nan 0.000 0.485 51 I N 1.903 122.251 120.570 -0.369 0.000 2.569 51 I HA 0.503 4.673 4.170 0.000 0.000 0.290 51 I C -1.440 174.496 176.117 -0.300 0.000 1.088 51 I CA -0.810 60.215 61.300 -0.459 0.000 1.047 51 I CB 1.262 38.809 38.000 -0.755 0.000 1.237 51 I HN 0.539 nan 8.210 nan 0.000 0.421 52 R N 5.748 126.112 120.500 -0.226 0.000 2.409 52 R HA 0.720 5.060 4.340 0.000 0.000 0.313 52 R C -1.152 175.124 176.300 -0.041 0.000 0.953 52 R CA -0.472 55.541 56.100 -0.144 0.000 0.849 52 R CB 1.647 31.767 30.300 -0.301 0.000 1.171 52 R HN 0.886 nan 8.270 nan 0.000 0.458 53 G N 2.421 111.218 108.800 -0.005 0.000 2.680 53 G HA2 0.425 4.385 3.960 0.000 0.000 0.290 53 G HA3 0.425 4.385 3.960 0.000 0.000 0.290 53 G C -0.997 173.948 174.900 0.076 0.000 1.355 53 G CA -0.502 44.617 45.100 0.032 0.000 0.903 53 G HN 0.573 nan 8.290 nan 0.000 0.474 54 H N -0.937 118.263 119.070 0.216 0.000 2.534 54 H HA 0.484 5.040 4.556 0.000 0.000 0.364 54 H C 1.408 176.766 175.328 0.050 0.000 1.328 54 H CA 0.422 56.540 56.048 0.118 0.000 1.415 54 H CB 1.055 31.072 29.762 0.425 0.000 1.573 54 H HN 1.342 nan 8.280 nan 0.000 0.601 55 G N 0.117 109.022 108.800 0.174 0.000 2.143 55 G HA2 -0.293 3.667 3.960 0.000 0.000 0.249 55 G HA3 -0.293 3.667 3.960 0.000 0.000 0.249 55 G C 1.106 176.072 174.900 0.110 0.000 0.981 55 G CA 0.566 45.756 45.100 0.149 0.000 0.665 55 G HN 0.559 nan 8.290 nan 0.000 0.528 56 L N 0.003 121.304 121.223 0.131 0.000 2.043 56 L HA 0.087 4.428 4.340 0.000 0.000 0.212 56 L C 2.342 179.356 176.870 0.240 0.000 1.075 56 L CA 2.648 57.602 54.840 0.189 0.000 0.752 56 L CB -0.208 41.990 42.059 0.231 0.000 0.891 56 L HN 0.420 nan 8.230 nan 0.000 0.432 57 L N -1.150 120.240 121.223 0.277 0.000 2.628 57 L HA 0.183 4.523 4.340 0.000 0.000 0.229 57 L C 0.885 177.953 176.870 0.330 0.000 1.137 57 L CA -0.404 54.624 54.840 0.312 0.000 0.909 57 L CB -0.318 41.962 42.059 0.369 0.000 1.137 57 L HN 0.070 nan 8.230 nan 0.000 0.470 58 S N -0.408 115.484 115.700 0.320 0.000 2.645 58 S HA 0.101 4.571 4.470 0.000 0.000 0.266 58 S C 0.726 175.485 174.600 0.265 0.000 1.258 58 S CA -0.627 57.789 58.200 0.361 0.000 0.990 58 S CB 1.165 64.674 63.200 0.515 0.000 0.967 58 S HN 0.170 nan 8.310 nan 0.000 0.556 59 D N 1.013 121.570 120.400 0.262 0.000 2.323 59 D HA -0.076 4.564 4.640 0.000 0.000 0.209 59 D C 1.409 177.807 176.300 0.162 0.000 0.973 59 D CA 0.526 54.649 54.000 0.205 0.000 0.874 59 D CB -0.122 40.796 40.800 0.197 0.000 0.930 59 D HN 0.627 nan 8.370 nan 0.000 0.521 60 D N 0.848 121.332 120.400 0.139 0.000 2.144 60 D HA -0.114 4.526 4.640 0.000 0.000 0.200 60 D C 2.045 178.466 176.300 0.201 0.000 0.978 60 D CA 0.506 54.577 54.000 0.119 0.000 0.833 60 D CB -0.547 40.264 40.800 0.019 0.000 0.961 60 D HN 0.063 nan 8.370 nan 0.000 0.470 61 V N 0.625 120.637 119.914 0.163 0.000 2.626 61 V HA 0.020 4.140 4.120 0.000 0.000 0.252 61 V C 2.108 178.348 176.094 0.243 0.000 1.067 61 V CA 1.465 63.909 62.300 0.241 0.000 1.081 61 V CB -1.116 30.798 31.823 0.153 0.000 0.686 61 V HN 0.599 nan 8.190 nan 0.000 0.468 62 G N -0.334 108.567 108.800 0.168 0.000 2.143 62 G HA2 -0.306 3.654 3.960 0.000 0.000 0.248 62 G HA3 -0.306 3.654 3.960 0.000 0.000 0.248 62 G C 0.643 175.568 174.900 0.043 0.000 0.991 62 G CA 0.605 45.759 45.100 0.091 0.000 0.689 62 G HN 0.471 nan 8.290 nan 0.000 0.522 63 I N -1.222 119.390 120.570 0.071 0.000 2.179 63 I HA -0.017 4.153 4.170 0.000 0.000 0.242 63 I C 1.464 177.597 176.117 0.028 0.000 1.088 63 I CA 1.118 62.399 61.300 -0.031 0.000 1.357 63 I CB -0.087 37.926 38.000 0.021 0.000 1.051 63 I HN 0.330 nan 8.210 nan 0.000 0.409 64 Y N 3.061 123.389 120.300 0.047 0.000 2.341 64 Y HA 0.458 5.008 4.550 0.000 0.000 0.340 64 Y C -0.122 175.806 175.900 0.047 0.000 0.997 64 Y CA -0.732 57.411 58.100 0.071 0.000 1.149 64 Y CB 0.253 38.797 38.460 0.140 0.000 1.171 64 Y HN -0.049 nan 8.280 nan 0.000 0.494 65 R N 4.402 124.579 120.500 -0.538 0.000 2.771 65 R HA 0.369 4.709 4.340 0.000 0.000 0.274 65 R C -1.254 174.700 176.300 -0.577 0.000 0.987 65 R CA -1.023 54.864 56.100 -0.355 0.000 0.908 65 R CB 2.113 32.334 30.300 -0.132 0.000 1.213 65 R HN 0.777 nan 8.270 nan 0.000 0.468 66 E N 0.737 120.750 120.200 -0.311 0.000 2.183 66 E HA 0.538 4.888 4.350 0.000 0.000 0.271 66 E C -0.993 175.522 176.600 -0.142 0.000 0.919 66 E CA -0.868 55.404 56.400 -0.214 0.000 0.781 66 E CB 2.743 32.396 29.700 -0.079 0.000 1.140 66 E HN 0.036 nan 8.360 nan 0.000 0.402 67 V N 2.663 122.498 119.914 -0.132 0.000 2.760 67 V HA 0.131 4.251 4.120 0.000 0.000 0.309 67 V C -0.956 175.083 176.094 -0.093 0.000 1.077 67 V CA -0.717 61.503 62.300 -0.133 0.000 0.910 67 V CB 2.249 33.964 31.823 -0.180 0.000 1.008 67 V HN 0.660 nan 8.190 nan 0.000 0.424 68 E N 3.840 123.990 120.200 -0.083 0.000 2.029 68 E HA 0.342 4.692 4.350 0.000 0.000 0.276 68 E C -0.502 176.062 176.600 -0.060 0.000 1.163 68 E CA -0.061 56.303 56.400 -0.060 0.000 0.909 68 E CB 0.408 30.077 29.700 -0.052 0.000 1.046 68 E HN 0.533 nan 8.360 nan 0.000 0.406 69 I N 1.395 121.936 120.570 -0.048 0.000 2.382 69 I HA 0.458 4.628 4.170 0.000 0.000 0.286 69 I C 0.408 176.509 176.117 -0.027 0.000 1.002 69 I CA -0.504 60.772 61.300 -0.040 0.000 1.135 69 I CB 1.531 39.508 38.000 -0.038 0.000 1.288 69 I HN 0.390 nan 8.210 nan 0.000 0.448 70 D N 4.769 125.154 120.400 -0.026 0.000 4.401 70 D HA -0.307 4.333 4.640 0.000 0.000 0.275 70 D C 1.553 177.842 176.300 -0.018 0.000 0.559 70 D CA 3.142 57.130 54.000 -0.020 0.000 1.014 70 D CB -1.109 39.683 40.800 -0.014 0.000 0.502 70 D HN 0.886 nan 8.370 nan 0.000 0.351 71 G N -0.257 108.535 108.800 -0.013 0.000 2.510 71 G HA2 0.138 4.098 3.960 0.000 0.000 0.212 71 G HA3 0.138 4.098 3.960 0.000 0.000 0.212 71 G C 0.209 175.103 174.900 -0.011 0.000 1.151 71 G CA 0.506 45.600 45.100 -0.011 0.000 0.817 71 G HN 0.441 nan 8.290 nan 0.000 0.534 72 E N 0.226 120.420 120.200 -0.010 0.000 2.250 72 E HA 0.411 4.761 4.350 0.000 0.000 0.269 72 E C -0.452 176.139 176.600 -0.014 0.000 1.018 72 E CA -0.779 55.617 56.400 -0.007 0.000 0.873 72 E CB 1.403 31.102 29.700 -0.001 0.000 1.134 72 E HN -0.061 nan 8.360 nan 0.000 0.403 73 M N 2.451 122.045 119.600 -0.009 0.000 2.135 73 M HA 0.207 4.687 4.480 0.000 0.000 0.345 73 M C -0.384 175.904 176.300 -0.019 0.000 1.340 73 M CA 0.110 55.400 55.300 -0.017 0.000 1.162 73 M CB -0.061 32.538 32.600 -0.002 0.000 1.570 73 M HN 0.214 nan 8.290 nan 0.000 0.454 74 K N 4.532 124.905 120.400 -0.046 0.000 2.156 74 K HA 0.608 4.928 4.320 0.000 0.000 0.250 74 K C -2.464 174.055 176.600 -0.135 0.000 0.955 74 K CA -1.676 54.576 56.287 -0.058 0.000 0.855 74 K CB 1.380 33.852 32.500 -0.046 0.000 1.101 74 K HN 0.293 nan 8.250 nan 0.000 0.434 75 P HA 0.114 nan 4.420 nan 0.000 0.271 75 P C -1.022 175.957 177.300 -0.534 0.000 1.216 75 P CA -0.027 62.800 63.100 -0.456 0.000 0.776 75 P CB 0.303 31.777 31.700 -0.377 0.000 0.881 76 F N 3.333 122.793 119.950 -0.817 0.000 2.547 76 F HA 0.457 4.984 4.527 0.000 0.000 0.316 76 F C -1.328 174.006 175.800 -0.777 0.000 1.121 76 F CA -1.036 56.555 58.000 -0.683 0.000 0.911 76 F CB 1.422 40.182 39.000 -0.400 0.000 1.179 76 F HN 0.192 nan 8.300 nan 0.000 0.443 77 Y N 4.718 124.416 120.300 -1.004 0.000 2.385 77 Y HA 0.288 4.838 4.550 0.000 0.000 0.341 77 Y C 0.054 175.138 175.900 -1.358 0.000 0.965 77 Y CA -0.795 56.705 58.100 -1.001 0.000 1.180 77 Y CB 0.761 38.724 38.460 -0.828 0.000 1.139 77 Y HN 0.505 nan 8.280 nan 0.000 0.502 78 N N 3.920 122.156 118.700 -0.774 0.000 2.485 78 N HA 0.189 4.929 4.740 0.000 0.000 0.243 78 N C -0.708 174.480 175.510 -0.538 0.000 0.987 78 N CA -0.408 52.348 53.050 -0.490 0.000 0.940 78 N CB 0.265 38.716 38.487 -0.059 0.000 1.122 78 N HN 0.550 nan 8.380 nan 0.000 0.509 79 F N 1.068 120.910 119.950 -0.180 0.000 2.660 79 F HA 0.134 4.661 4.527 0.000 0.000 0.302 79 F C 1.996 177.783 175.800 -0.021 0.000 1.103 79 F CA -0.203 57.689 58.000 -0.180 0.000 1.340 79 F CB 0.391 39.026 39.000 -0.608 0.000 1.048 79 F HN 0.355 nan 8.300 nan 0.000 0.551 80 T N -0.523 114.075 114.554 0.072 0.000 2.652 80 T HA -0.234 4.116 4.350 0.000 0.000 0.267 80 T C 1.592 176.417 174.700 0.207 0.000 1.039 80 T CA 1.702 63.850 62.100 0.080 0.000 1.153 80 T CB -0.324 68.496 68.868 -0.079 0.000 0.863 80 T HN 0.190 nan 8.240 nan 0.000 0.428 81 Y N 1.248 121.594 120.300 0.077 0.000 2.243 81 Y HA 0.094 4.645 4.550 0.000 0.000 0.293 81 Y C 2.242 178.189 175.900 0.078 0.000 1.124 81 Y CA -0.453 57.677 58.100 0.051 0.000 1.159 81 Y CB -0.990 37.480 38.460 0.017 0.000 1.008 81 Y HN 0.272 nan 8.280 nan 0.000 0.527 82 I N -1.217 119.549 120.570 0.326 0.000 2.546 82 I HA -0.134 4.036 4.170 0.000 0.000 0.255 82 I C 1.651 177.968 176.117 0.334 0.000 1.163 82 I CA 1.075 62.558 61.300 0.305 0.000 1.457 82 I CB -0.841 37.430 38.000 0.453 0.000 1.092 82 I HN -0.111 nan 8.210 nan 0.000 0.434 83 D N 1.359 121.989 120.400 0.384 0.000 2.104 83 D HA -0.198 4.442 4.640 0.000 0.000 0.194 83 D C 2.274 178.718 176.300 0.240 0.000 0.994 83 D CA 1.300 55.526 54.000 0.376 0.000 0.830 83 D CB -0.336 40.660 40.800 0.328 0.000 0.959 83 D HN 0.358 nan 8.370 nan 0.000 0.452 84 R N 0.264 120.865 120.500 0.169 0.000 2.083 84 R HA -0.098 4.242 4.340 0.000 0.000 0.237 84 R C 2.430 178.705 176.300 -0.042 0.000 1.137 84 R CA 0.951 57.094 56.100 0.071 0.000 0.951 84 R CB -0.322 30.016 30.300 0.064 0.000 0.851 84 R HN 0.187 nan 8.270 nan 0.000 0.434 85 I N 0.007 120.511 120.570 -0.110 0.000 2.142 85 I HA -0.266 3.904 4.170 0.000 0.000 0.240 85 I C 2.224 178.031 176.117 -0.517 0.000 1.078 85 I CA 1.155 62.235 61.300 -0.366 0.000 1.343 85 I CB -0.142 37.656 38.000 -0.337 0.000 1.046 85 I HN 0.047 nan 8.210 nan 0.000 0.405 86 V N 0.516 120.282 119.914 -0.248 0.000 2.453 86 V HA -0.243 3.877 4.120 0.000 0.000 0.247 86 V C 1.982 177.981 176.094 -0.158 0.000 1.048 86 V CA 1.697 63.830 62.300 -0.278 0.000 1.049 86 V CB -0.731 30.941 31.823 -0.252 0.000 0.672 86 V HN 0.371 nan 8.190 nan 0.000 0.457 87 D N 0.883 121.314 120.400 0.052 0.000 2.116 87 D HA -0.172 4.468 4.640 0.000 0.000 0.193 87 D C 2.449 178.748 176.300 -0.002 0.000 0.998 87 D CA 1.998 56.060 54.000 0.105 0.000 0.836 87 D CB -0.371 40.513 40.800 0.140 0.000 0.951 87 D HN 0.601 nan 8.370 nan 0.000 0.449 88 S N -0.462 115.187 115.700 -0.085 0.000 2.402 88 S HA -0.183 4.287 4.470 0.000 0.000 0.229 88 S C 2.071 176.663 174.600 -0.014 0.000 1.021 88 S CA 0.564 58.719 58.200 -0.076 0.000 0.974 88 S CB -0.630 62.497 63.200 -0.122 0.000 0.800 88 S HN 0.156 nan 8.310 nan 0.000 0.484 89 Y N 2.121 122.341 120.300 -0.133 0.000 2.114 89 Y HA 0.129 4.679 4.550 0.000 0.000 0.284 89 Y C 2.380 178.155 175.900 -0.208 0.000 1.143 89 Y CA 0.254 58.231 58.100 -0.206 0.000 1.135 89 Y CB -0.981 37.289 38.460 -0.316 0.000 0.980 89 Y HN 0.242 nan 8.280 nan 0.000 0.499 90 L N -0.973 120.241 121.223 -0.015 0.000 2.141 90 L HA -0.138 4.202 4.340 0.000 0.000 0.209 90 L C 2.569 179.421 176.870 -0.030 0.000 1.094 90 L CA 0.909 55.711 54.840 -0.063 0.000 0.763 90 L CB -0.845 41.180 42.059 -0.057 0.000 0.908 90 L HN 0.133 nan 8.230 nan 0.000 0.437 91 A N -0.005 122.813 122.820 -0.003 0.000 2.024 91 A HA -0.114 4.206 4.320 0.000 0.000 0.220 91 A C 1.974 179.548 177.584 -0.015 0.000 1.164 91 A CA 1.251 53.288 52.037 -0.000 0.000 0.643 91 A CB -0.454 18.553 19.000 0.011 0.000 0.806 91 A HN 0.431 nan 8.150 nan 0.000 0.451 92 L N -0.528 120.680 121.223 -0.024 0.000 2.741 92 L HA 0.122 4.462 4.340 0.000 0.000 0.237 92 L C -0.236 176.576 176.870 -0.096 0.000 1.178 92 L CA -0.316 54.496 54.840 -0.046 0.000 0.973 92 L CB -0.314 41.724 42.059 -0.035 0.000 1.255 92 L HN 0.364 nan 8.230 nan 0.000 0.498 93 N N 1.318 119.956 118.700 -0.105 0.000 2.740 93 N HA -0.208 4.532 4.740 0.000 0.000 0.248 93 N C -0.444 174.924 175.510 -0.237 0.000 1.062 93 N CA 0.944 53.905 53.050 -0.149 0.000 0.704 93 N CB -1.084 37.328 38.487 -0.125 0.000 0.968 93 N HN 0.402 nan 8.380 nan 0.000 0.547 94 I N -0.258 120.142 120.570 -0.284 0.000 2.769 94 I HA 0.385 4.555 4.170 0.000 0.000 0.298 94 I C -0.602 175.194 176.117 -0.535 0.000 1.128 94 I CA -0.769 60.267 61.300 -0.439 0.000 1.031 94 I CB 1.591 39.323 38.000 -0.447 0.000 1.235 94 I HN -0.067 nan 8.210 nan 0.000 0.423 95 R N 6.477 126.530 120.500 -0.745 0.000 2.778 95 R HA 0.553 4.893 4.340 0.000 0.000 0.277 95 R C -2.741 173.083 176.300 -0.793 0.000 0.977 95 R CA -1.867 53.738 56.100 -0.826 0.000 0.950 95 R CB 1.706 31.474 30.300 -0.887 0.000 1.165 95 R HN 0.308 nan 8.270 nan 0.000 0.474 96 P HA 0.106 nan 4.420 nan 0.000 0.280 96 P C -0.970 176.054 177.300 -0.460 0.000 1.244 96 P CA -0.148 62.519 63.100 -0.721 0.000 0.784 96 P CB 0.441 31.616 31.700 -0.876 0.000 0.913 97 F N 4.388 124.104 119.950 -0.389 0.000 2.351 97 F HA 0.258 4.785 4.527 0.000 0.000 0.362 97 F C 0.443 176.052 175.800 -0.319 0.000 1.131 97 F CA -1.070 56.715 58.000 -0.357 0.000 1.187 97 F CB 0.196 39.008 39.000 -0.314 0.000 1.434 97 F HN 0.100 nan 8.300 nan 0.000 0.553 98 I N 4.563 125.011 120.570 -0.204 0.000 2.618 98 I HA -0.002 4.168 4.170 0.000 0.000 0.284 98 I C 0.274 176.376 176.117 -0.026 0.000 1.146 98 I CA 0.465 61.662 61.300 -0.171 0.000 1.425 98 I CB 0.777 38.614 38.000 -0.273 0.000 1.383 98 I HN 0.606 nan 8.210 nan 0.000 0.562 99 E N 7.428 127.619 120.200 -0.014 0.000 2.182 99 E HA 0.285 4.635 4.350 0.000 0.000 0.258 99 E C -1.312 175.325 176.600 0.061 0.000 0.879 99 E CA -0.603 55.837 56.400 0.066 0.000 0.754 99 E CB 0.823 30.586 29.700 0.104 0.000 1.162 99 E HN 0.322 nan 8.360 nan 0.000 0.419 100 F N 3.673 123.842 119.950 0.365 0.000 2.468 100 F HA 0.431 4.958 4.527 0.000 0.000 0.356 100 F C 1.105 177.158 175.800 0.422 0.000 1.167 100 F CA 0.487 58.722 58.000 0.392 0.000 1.135 100 F CB 0.947 40.225 39.000 0.462 0.000 1.197 100 F HN 0.579 nan 8.300 nan 0.000 0.569 101 G N 2.238 111.260 108.800 0.370 0.000 2.328 101 G HA2 0.324 4.284 3.960 0.000 0.000 0.295 101 G HA3 0.324 4.284 3.960 0.000 0.000 0.295 101 G C -1.213 173.636 174.900 -0.084 0.000 1.413 101 G CA -0.996 44.120 45.100 0.026 0.000 0.817 101 G HN 0.209 nan 8.290 nan 0.000 0.546 102 F N -0.323 119.739 119.950 0.186 0.000 2.310 102 F HA 0.749 5.276 4.527 0.000 0.000 0.209 102 F C 1.121 177.181 175.800 0.433 0.000 0.781 102 F CA -0.348 57.639 58.000 -0.023 0.000 1.090 102 F CB 0.310 39.283 39.000 -0.046 0.000 2.167 102 F HN 0.377 nan 8.300 nan 0.000 0.662 103 M N 2.199 122.249 119.600 0.750 0.000 2.108 103 M HA 0.379 4.859 4.480 0.000 0.000 0.354 103 M C -2.616 173.943 176.300 0.432 0.000 1.229 103 M CA -2.424 53.247 55.300 0.619 0.000 1.081 103 M CB 0.699 33.589 32.600 0.483 0.000 1.606 103 M HN -0.061 nan 8.290 nan 0.000 0.467 104 P HA 0.011 nan 4.420 nan 0.000 0.264 104 P C 0.137 177.581 177.300 0.241 0.000 1.193 104 P CA -0.006 63.274 63.100 0.300 0.000 0.763 104 P CB 0.439 32.300 31.700 0.269 0.000 0.810 105 K N 3.323 123.860 120.400 0.227 0.000 2.097 105 K HA -0.265 4.055 4.320 0.000 0.000 0.214 105 K C 1.679 178.377 176.600 0.164 0.000 1.052 105 K CA 2.438 58.828 56.287 0.171 0.000 0.932 105 K CB -0.885 31.704 32.500 0.149 0.000 0.716 105 K HN 0.538 nan 8.250 nan 0.000 0.455 106 A N 0.290 123.247 122.820 0.228 0.000 2.168 106 A HA -0.015 4.305 4.320 0.000 0.000 0.215 106 A C 1.944 179.666 177.584 0.229 0.000 1.152 106 A CA 0.755 52.944 52.037 0.254 0.000 0.716 106 A CB -0.108 19.102 19.000 0.349 0.000 0.794 106 A HN 0.229 nan 8.150 nan 0.000 0.465 107 L N -1.306 119.985 121.223 0.114 0.000 2.638 107 L HA 0.272 4.612 4.340 0.000 0.000 0.232 107 L C 1.308 178.189 176.870 0.019 0.000 1.099 107 L CA -0.069 54.771 54.840 -0.000 0.000 0.883 107 L CB 0.042 42.016 42.059 -0.141 0.000 1.136 107 L HN 0.376 nan 8.230 nan 0.000 0.492 108 A N -0.040 122.815 122.820 0.058 0.000 2.483 108 A HA 0.151 4.471 4.320 0.000 0.000 0.238 108 A C 1.252 178.832 177.584 -0.005 0.000 1.070 108 A CA 0.557 52.617 52.037 0.038 0.000 0.770 108 A CB 0.352 19.393 19.000 0.069 0.000 1.008 108 A HN 0.372 nan 8.150 nan 0.000 0.497 109 S N 1.149 116.820 115.700 -0.048 0.000 2.535 109 S HA 0.476 4.946 4.470 0.000 0.000 0.214 109 S C 0.766 175.331 174.600 -0.057 0.000 0.980 109 S CA 0.372 58.536 58.200 -0.060 0.000 0.907 109 S CB -0.128 63.013 63.200 -0.098 0.000 0.790 109 S HN 1.678 nan 8.310 nan 0.000 0.510 110 G N 0.088 108.857 108.800 -0.052 0.000 2.682 110 G HA2 0.497 4.457 3.960 0.000 0.000 0.303 110 G HA3 0.497 4.457 3.960 0.000 0.000 0.303 110 G C -1.317 173.561 174.900 -0.037 0.000 1.341 110 G CA -0.456 44.611 45.100 -0.055 0.000 0.784 110 G HN 0.040 nan 8.290 nan 0.000 0.497 111 D N -0.596 119.777 120.400 -0.045 0.000 2.417 111 D HA 0.082 4.722 4.640 0.000 0.000 0.207 111 D C 1.037 177.304 176.300 -0.055 0.000 1.075 111 D CA 0.096 54.074 54.000 -0.037 0.000 0.851 111 D CB 0.567 41.346 40.800 -0.034 0.000 0.976 111 D HN 0.420 nan 8.370 nan 0.000 0.505 112 Q N 1.711 121.465 119.800 -0.077 0.000 2.300 112 Q HA 0.148 4.488 4.340 0.000 0.000 0.280 112 Q C -0.140 175.786 176.000 -0.125 0.000 1.033 112 Q CA 0.475 56.213 55.803 -0.107 0.000 0.903 112 Q CB 0.526 29.189 28.738 -0.126 0.000 1.195 112 Q HN 0.162 nan 8.270 nan 0.000 0.386 113 T N -0.089 114.361 114.554 -0.173 0.000 2.887 113 T HA 0.703 5.053 4.350 0.000 0.000 0.292 113 T C -1.001 173.461 174.700 -0.396 0.000 1.087 113 T CA -0.844 61.110 62.100 -0.243 0.000 1.009 113 T CB 1.778 70.539 68.868 -0.178 0.000 1.203 113 T HN 0.423 nan 8.240 nan 0.000 0.518 114 V N 1.740 121.291 119.914 -0.606 0.000 2.876 114 V HA 0.814 4.934 4.120 0.000 0.000 0.312 114 V C -1.301 174.273 176.094 -0.866 0.000 1.085 114 V CA -0.935 60.827 62.300 -0.896 0.000 0.945 114 V CB 0.687 31.639 31.823 -1.451 0.000 1.017 114 V HN 1.125 nan 8.190 nan 0.000 0.428 115 F N 3.240 122.908 119.950 -0.470 0.000 2.183 115 F HA -0.260 4.267 4.527 0.000 0.000 0.318 115 F C 0.626 176.280 175.800 -0.243 0.000 1.271 115 F CA 0.745 58.504 58.000 -0.402 0.000 0.912 115 F CB -0.924 37.565 39.000 -0.852 0.000 4.135 115 F HN 0.812 nan 8.300 nan 0.000 0.137 116 Y N 2.659 122.990 120.300 0.051 0.000 2.151 116 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 116 Y C 1.997 177.976 175.900 0.133 0.000 1.166 116 Y CA 2.268 60.414 58.100 0.076 0.000 1.163 116 Y CB -0.367 38.161 38.460 0.113 0.000 0.974 116 Y HN 0.499 nan 8.280 nan 0.000 0.511 117 W N 1.074 122.415 121.300 0.068 0.000 3.204 117 W HA 0.194 4.854 4.660 0.000 0.000 0.249 117 W C -0.127 176.398 176.519 0.010 0.000 1.322 117 W CA 0.495 57.801 57.345 -0.065 0.000 1.593 117 W CB -0.932 28.559 29.460 0.051 0.000 1.122 117 W HN 0.111 nan 8.180 nan 0.000 0.710 118 K N 0.758 121.099 120.400 -0.099 0.000 3.257 118 K HA -0.150 4.170 4.320 0.000 0.000 0.270 118 K C 0.680 177.247 176.600 -0.055 0.000 0.984 118 K CA 0.696 56.914 56.287 -0.115 0.000 0.739 118 K CB -1.761 30.717 32.500 -0.037 0.000 1.351 118 K HN 0.361 nan 8.250 nan 0.000 0.463 119 G N 1.361 109.984 108.800 -0.294 0.000 2.365 119 G HA2 0.023 3.983 3.960 0.000 0.000 0.249 119 G HA3 0.023 3.983 3.960 0.000 0.000 0.249 119 G C 0.022 174.816 174.900 -0.177 0.000 1.288 119 G CA -0.426 44.635 45.100 -0.066 0.000 0.887 119 G HN 0.341 nan 8.290 nan 0.000 0.524 120 N N 1.467 120.217 118.700 0.084 0.000 2.499 120 N HA 0.127 4.867 4.740 0.000 0.000 0.281 120 N C 0.078 175.710 175.510 0.203 0.000 1.098 120 N CA -0.400 52.700 53.050 0.082 0.000 0.979 120 N CB 1.796 40.370 38.487 0.145 0.000 1.121 120 N HN 0.089 nan 8.380 nan 0.000 0.466 121 V N 2.431 122.427 119.914 0.137 0.000 3.085 121 V HA 0.059 4.179 4.120 0.000 0.000 0.345 121 V C 0.310 176.566 176.094 0.270 0.000 1.397 121 V CA 0.055 62.553 62.300 0.330 0.000 1.165 121 V CB -0.044 31.780 31.823 0.002 0.000 1.153 121 V HN 0.846 nan 8.190 nan 0.000 0.495 122 T N -1.391 113.235 114.554 0.120 0.000 2.945 122 T HA 0.638 4.988 4.350 0.000 0.000 0.286 122 T C -2.842 171.744 174.700 -0.190 0.000 1.025 122 T CA -2.304 59.703 62.100 -0.155 0.000 1.039 122 T CB 2.016 70.805 68.868 -0.133 0.000 1.068 122 T HN -0.035 nan 8.240 nan 0.000 0.497 123 P HA 0.257 nan 4.420 nan 0.000 0.270 123 P C -2.395 174.716 177.300 -0.314 0.000 1.223 123 P CA -1.289 61.610 63.100 -0.335 0.000 0.785 123 P CB -0.497 31.023 31.700 -0.299 0.000 0.923 124 P HA -0.014 nan 4.420 nan 0.000 0.269 124 P C 0.409 177.522 177.300 -0.311 0.000 1.215 124 P CA 0.052 62.925 63.100 -0.379 0.000 0.780 124 P CB 0.701 32.100 31.700 -0.502 0.000 0.898 125 K N 0.592 120.903 120.400 -0.147 0.000 2.432 125 K HA -0.011 4.309 4.320 0.000 0.000 0.196 125 K C 0.033 176.608 176.600 -0.043 0.000 1.038 125 K CA 0.979 57.221 56.287 -0.075 0.000 0.986 125 K CB -0.448 32.040 32.500 -0.020 0.000 0.782 125 K HN 0.514 nan 8.250 nan 0.000 0.485 126 D N -1.574 118.787 120.400 -0.065 0.000 2.738 126 D HA 0.051 4.691 4.640 0.000 0.000 0.218 126 D C -0.095 176.219 176.300 0.022 0.000 1.345 126 D CA -0.391 53.625 54.000 0.027 0.000 0.943 126 D CB 0.161 40.999 40.800 0.064 0.000 1.514 126 D HN -0.185 nan 8.370 nan 0.000 0.585 127 Y N 2.107 122.455 120.300 0.081 0.000 2.439 127 Y HA -0.032 4.518 4.550 0.000 0.000 0.292 127 Y C 2.019 178.014 175.900 0.159 0.000 1.130 127 Y CA 0.620 58.792 58.100 0.121 0.000 1.254 127 Y CB 0.093 38.594 38.460 0.068 0.000 1.000 127 Y HN 0.395 nan 8.280 nan 0.000 0.554 128 N N 0.344 119.190 118.700 0.243 0.000 2.120 128 N HA -0.151 4.589 4.740 0.000 0.000 0.188 128 N C 1.614 177.217 175.510 0.156 0.000 1.024 128 N CA 1.280 54.432 53.050 0.171 0.000 0.852 128 N CB -0.251 38.311 38.487 0.125 0.000 1.003 128 N HN 0.355 nan 8.380 nan 0.000 0.424 129 K N 0.083 120.578 120.400 0.157 0.000 2.026 129 K HA -0.138 4.182 4.320 0.000 0.000 0.208 129 K C 1.951 178.636 176.600 0.142 0.000 1.048 129 K CA 0.744 57.127 56.287 0.160 0.000 0.929 129 K CB -0.200 32.385 32.500 0.142 0.000 0.713 129 K HN 0.334 nan 8.250 nan 0.000 0.439 130 W N 2.762 124.031 121.300 -0.052 0.000 2.317 130 W HA -0.283 4.377 4.660 0.000 0.000 0.318 130 W C 2.033 178.525 176.519 -0.044 0.000 1.227 130 W CA 1.727 59.025 57.345 -0.077 0.000 1.269 130 W CB -0.284 29.113 29.460 -0.104 0.000 1.155 130 W HN 0.075 nan 8.180 nan 0.000 0.484 131 R N 0.715 121.264 120.500 0.083 0.000 2.083 131 R HA -0.210 4.130 4.340 0.000 0.000 0.237 131 R C 1.765 177.978 176.300 -0.145 0.000 1.137 131 R CA 2.479 58.548 56.100 -0.053 0.000 0.951 131 R CB -0.826 29.513 30.300 0.065 0.000 0.851 131 R HN 0.009 nan 8.270 nan 0.000 0.434 132 D N 0.984 121.360 120.400 -0.040 0.000 2.149 132 D HA -0.197 4.443 4.640 0.000 0.000 0.198 132 D C 1.941 178.163 176.300 -0.130 0.000 0.990 132 D CA 0.893 54.878 54.000 -0.025 0.000 0.839 132 D CB -0.312 40.558 40.800 0.117 0.000 0.948 132 D HN 0.270 nan 8.370 nan 0.000 0.460 133 L N 0.350 121.495 121.223 -0.129 0.000 2.012 133 L HA -0.204 4.136 4.340 0.000 0.000 0.210 133 L C 2.272 178.863 176.870 -0.464 0.000 1.073 133 L CA 1.218 55.901 54.840 -0.261 0.000 0.748 133 L CB -0.189 41.717 42.059 -0.255 0.000 0.891 133 L HN 0.017 nan 8.230 nan 0.000 0.431 134 I N -1.324 118.888 120.570 -0.598 0.000 2.252 134 I HA -0.275 3.895 4.170 0.000 0.000 0.245 134 I C 2.398 178.260 176.117 -0.425 0.000 1.102 134 I CA 0.889 61.784 61.300 -0.674 0.000 1.385 134 I CB -0.204 37.256 38.000 -0.901 0.000 1.064 134 I HN 0.036 nan 8.210 nan 0.000 0.414 135 V N 0.903 120.618 119.914 -0.333 0.000 2.295 135 V HA -0.330 3.790 4.120 0.000 0.000 0.246 135 V C 2.694 178.641 176.094 -0.245 0.000 1.049 135 V CA 2.101 64.260 62.300 -0.235 0.000 1.024 135 V CB -1.043 30.684 31.823 -0.161 0.000 0.648 135 V HN 0.512 nan 8.190 nan 0.000 0.447 136 A N -0.456 122.159 122.820 -0.342 0.000 1.902 136 A HA -0.163 4.157 4.320 0.000 0.000 0.217 136 A C 2.390 179.817 177.584 -0.262 0.000 1.181 136 A CA 2.113 53.916 52.037 -0.389 0.000 0.623 136 A CB -0.668 17.723 19.000 -1.016 0.000 0.818 136 A HN 0.338 nan 8.150 nan 0.000 0.443 137 V N -0.365 119.397 119.914 -0.254 0.000 2.307 137 V HA -0.218 3.902 4.120 0.000 0.000 0.245 137 V C 2.591 178.416 176.094 -0.450 0.000 1.045 137 V CA 1.998 64.147 62.300 -0.252 0.000 1.024 137 V CB -0.695 31.080 31.823 -0.080 0.000 0.651 137 V HN 0.383 nan 8.190 nan 0.000 0.449 138 V N 0.064 119.864 119.914 -0.189 0.000 2.343 138 V HA -0.220 3.900 4.120 0.000 0.000 0.247 138 V C 2.514 178.573 176.094 -0.058 0.000 1.051 138 V CA 2.254 64.541 62.300 -0.022 0.000 1.036 138 V CB -0.776 31.005 31.823 -0.071 0.000 0.654 138 V HN 0.577 nan 8.190 nan 0.000 0.451 139 S N -1.108 114.513 115.700 -0.132 0.000 2.368 139 S HA -0.239 4.231 4.470 0.000 0.000 0.225 139 S C 1.982 176.483 174.600 -0.165 0.000 1.030 139 S CA 1.462 59.590 58.200 -0.121 0.000 0.999 139 S CB -0.569 62.563 63.200 -0.113 0.000 0.844 139 S HN 0.713 nan 8.310 nan 0.000 0.459 140 H N 0.662 119.496 119.070 -0.393 0.000 2.387 140 H HA -0.067 4.489 4.556 0.000 0.000 0.299 140 H C 1.778 176.958 175.328 -0.246 0.000 1.099 140 H CA 1.519 57.239 56.048 -0.546 0.000 1.315 140 H CB -0.328 28.621 29.762 -1.355 0.000 1.380 140 H HN 0.488 nan 8.280 nan 0.000 0.513 141 F N 0.368 120.266 119.950 -0.087 0.000 2.095 141 F HA -0.207 4.320 4.527 0.000 0.000 0.298 141 F C 2.806 178.571 175.800 -0.060 0.000 1.104 141 F CA 0.636 58.695 58.000 0.099 0.000 1.232 141 F CB -0.133 39.034 39.000 0.279 0.000 0.987 141 F HN 0.096 nan 8.300 nan 0.000 0.475 142 I N 0.083 120.694 120.570 0.067 0.000 2.252 142 I HA -0.248 3.922 4.170 0.000 0.000 0.245 142 I C 2.151 178.201 176.117 -0.112 0.000 1.102 142 I CA 1.334 62.609 61.300 -0.041 0.000 1.385 142 I CB -0.464 37.509 38.000 -0.046 0.000 1.064 142 I HN 0.138 nan 8.210 nan 0.000 0.414 143 E N 0.492 120.583 120.200 -0.182 0.000 2.070 143 E HA -0.303 4.047 4.350 0.000 0.000 0.197 143 E C 2.284 178.700 176.600 -0.307 0.000 1.004 143 E CA 1.577 57.837 56.400 -0.234 0.000 0.805 143 E CB -0.166 29.376 29.700 -0.264 0.000 0.744 143 E HN 0.373 nan 8.360 nan 0.000 0.451 144 R N -0.366 119.844 120.500 -0.483 0.000 2.080 144 R HA -0.078 4.262 4.340 0.000 0.000 0.222 144 R C 1.430 177.364 176.300 -0.609 0.000 1.107 144 R CA 1.151 56.863 56.100 -0.648 0.000 0.980 144 R CB 0.039 29.756 30.300 -0.970 0.000 0.879 144 R HN 0.238 nan 8.270 nan 0.000 0.439 145 Y N -0.454 119.805 120.300 -0.068 0.000 2.481 145 Y HA 0.382 4.932 4.550 0.000 0.000 0.258 145 Y C 0.754 176.594 175.900 -0.099 0.000 1.103 145 Y CA 0.180 58.249 58.100 -0.051 0.000 1.287 145 Y CB 1.064 39.517 38.460 -0.012 0.000 1.108 145 Y HN 0.329 nan 8.280 nan 0.000 0.529 146 G N 0.854 109.639 108.800 -0.025 0.000 2.777 146 G HA2 -0.237 3.723 3.960 0.000 0.000 0.686 146 G HA3 -0.237 3.723 3.960 0.000 0.000 0.686 146 G C 0.111 174.959 174.900 -0.086 0.000 1.177 146 G CA -0.291 44.778 45.100 -0.052 0.000 0.775 146 G HN 0.160 nan 8.290 nan 0.000 0.613 147 I N 0.752 121.276 120.570 -0.078 0.000 2.264 147 I HA -0.097 4.073 4.170 0.000 0.000 0.248 147 I C 2.284 178.338 176.117 -0.104 0.000 1.111 147 I CA 2.773 64.023 61.300 -0.084 0.000 1.382 147 I CB -0.247 37.726 38.000 -0.046 0.000 1.060 147 I HN 0.845 nan 8.210 nan 0.000 0.418 148 E N -0.053 120.095 120.200 -0.087 0.000 2.047 148 E HA -0.306 4.044 4.350 0.000 0.000 0.191 148 E C 2.123 178.659 176.600 -0.106 0.000 0.987 148 E CA 1.307 57.658 56.400 -0.082 0.000 0.799 148 E CB -0.166 29.500 29.700 -0.056 0.000 0.752 148 E HN 0.540 nan 8.360 nan 0.000 0.449 149 E N 0.339 120.465 120.200 -0.123 0.000 2.058 149 E HA -0.172 4.179 4.350 0.000 0.000 0.194 149 E C 1.964 178.265 176.600 -0.498 0.000 0.997 149 E CA 1.778 58.077 56.400 -0.168 0.000 0.801 149 E CB -0.302 29.354 29.700 -0.074 0.000 0.746 149 E HN 0.185 nan 8.360 nan 0.000 0.450 150 V N 0.680 120.181 119.914 -0.688 0.000 2.667 150 V HA -0.124 3.996 4.120 0.000 0.000 0.252 150 V C 2.349 178.196 176.094 -0.412 0.000 1.065 150 V CA 1.784 63.428 62.300 -1.093 0.000 1.083 150 V CB -0.527 30.876 31.823 -0.700 0.000 0.692 150 V HN 0.227 nan 8.190 nan 0.000 0.468 151 R N 0.587 120.983 120.500 -0.174 0.000 2.193 151 R HA -0.135 4.205 4.340 0.000 0.000 0.229 151 R C 2.301 178.636 176.300 0.058 0.000 1.110 151 R CA 1.779 57.883 56.100 0.007 0.000 0.988 151 R CB -0.430 29.864 30.300 -0.010 0.000 0.871 151 R HN 0.738 nan 8.270 nan 0.000 0.458 152 T N -2.820 111.755 114.554 0.036 0.000 3.100 152 T HA -0.002 4.348 4.350 0.000 0.000 0.253 152 T C 0.325 175.216 174.700 0.317 0.000 1.118 152 T CA -0.259 61.942 62.100 0.169 0.000 1.058 152 T CB 0.038 69.015 68.868 0.182 0.000 0.953 152 T HN 0.039 nan 8.240 nan 0.000 0.515 153 W N 1.334 122.598 121.300 -0.059 0.000 2.183 153 W HA 0.677 5.337 4.660 0.000 0.000 0.348 153 W C 0.098 176.308 176.519 -0.515 0.000 1.257 153 W CA -2.277 54.897 57.345 -0.286 0.000 1.324 153 W CB 0.078 29.244 29.460 -0.491 0.000 1.144 153 W HN 0.085 nan 8.180 nan 0.000 0.622 154 L N 1.344 122.171 121.223 -0.659 0.000 2.334 154 L HA 0.552 4.892 4.340 0.000 0.000 0.273 154 L C -0.946 175.451 176.870 -0.789 0.000 1.013 154 L CA -0.859 53.493 54.840 -0.813 0.000 0.816 154 L CB 1.052 42.105 42.059 -1.676 0.000 1.278 154 L HN 0.076 nan 8.230 nan 0.000 0.431 155 F N 0.590 120.611 119.950 0.119 0.000 2.500 155 F HA 0.371 4.898 4.527 0.000 0.000 0.349 155 F C 0.147 176.220 175.800 0.456 0.000 1.127 155 F CA -0.504 57.624 58.000 0.213 0.000 0.998 155 F CB 1.534 40.707 39.000 0.288 0.000 1.237 155 F HN 0.406 nan 8.300 nan 0.000 0.439 156 E N 2.505 123.077 120.200 0.620 0.000 2.204 156 E HA 0.574 4.924 4.350 0.000 0.000 0.276 156 E C -1.251 175.689 176.600 0.567 0.000 0.974 156 E CA -0.699 56.106 56.400 0.676 0.000 0.815 156 E CB 1.808 31.918 29.700 0.683 0.000 1.119 156 E HN 0.368 nan 8.360 nan 0.000 0.393 157 V N 6.466 126.752 119.914 0.621 0.000 2.350 157 V HA 0.190 4.310 4.120 0.000 0.000 0.276 157 V C 0.188 176.713 176.094 0.719 0.000 1.028 157 V CA -0.382 62.349 62.300 0.718 0.000 0.860 157 V CB -0.131 32.107 31.823 0.692 0.000 0.990 157 V HN 0.816 nan 8.190 nan 0.000 0.453 158 W N 3.586 125.110 121.300 0.373 0.000 3.059 158 W HA -0.262 4.398 4.660 0.000 0.000 0.196 158 W C -0.183 176.387 176.519 0.084 0.000 0.624 158 W CA 0.914 58.387 57.345 0.213 0.000 0.461 158 W CB -0.167 29.398 29.460 0.176 0.000 2.813 158 W HN 0.770 nan 8.180 nan 0.000 0.413 159 N N 0.737 119.369 118.700 -0.114 0.000 2.455 159 N HA 0.242 4.982 4.740 0.000 0.000 0.285 159 N C -1.169 174.215 175.510 -0.209 0.000 1.080 159 N CA 0.267 53.202 53.050 -0.192 0.000 0.932 159 N CB 0.999 39.287 38.487 -0.331 0.000 1.610 159 N HN 0.339 nan 8.380 nan 0.000 0.493 160 E N 1.737 121.715 120.200 -0.370 0.000 2.149 160 E HA -0.179 4.171 4.350 0.000 0.000 0.191 160 E C -1.706 174.780 176.600 -0.189 0.000 1.384 160 E CA 0.297 56.452 56.400 -0.408 0.000 0.698 160 E CB -0.389 29.011 29.700 -0.500 0.000 1.086 160 E HN 0.596 nan 8.360 nan 0.000 0.338 161 P HA -0.177 nan 4.420 nan 0.000 0.230 161 P C 0.753 177.760 177.300 -0.488 0.000 1.158 161 P CA 1.093 64.009 63.100 -0.306 0.000 0.769 161 P CB 0.110 31.303 31.700 -0.844 0.000 0.807 162 N N 0.165 118.211 118.700 -1.090 0.000 2.515 162 N HA -0.043 4.697 4.740 0.000 0.000 0.185 162 N C 0.375 175.683 175.510 -0.336 0.000 1.109 162 N CA 0.323 52.687 53.050 -1.143 0.000 0.903 162 N CB -0.667 36.781 38.487 -1.732 0.000 0.969 162 N HN 0.237 nan 8.380 nan 0.000 0.450 163 L N 0.746 121.889 121.223 -0.134 0.000 2.296 163 L HA 0.275 4.615 4.340 0.000 0.000 0.286 163 L C 1.472 178.402 176.870 0.099 0.000 1.023 163 L CA -0.573 54.286 54.840 0.032 0.000 0.812 163 L CB 2.374 44.528 42.059 0.157 0.000 1.223 163 L HN -0.225 nan 8.230 nan 0.000 0.421 164 V N 4.170 124.107 119.914 0.038 0.000 2.453 164 V HA -0.301 3.819 4.120 0.000 0.000 0.252 164 V C 1.977 178.030 176.094 -0.068 0.000 1.068 164 V CA 2.118 64.421 62.300 0.004 0.000 1.070 164 V CB -0.349 31.462 31.823 -0.020 0.000 0.664 164 V HN 0.850 nan 8.190 nan 0.000 0.461 165 N N -1.095 117.512 118.700 -0.155 0.000 2.453 165 N HA -0.092 4.649 4.740 0.000 0.000 0.183 165 N C 1.390 176.519 175.510 -0.635 0.000 1.041 165 N CA 1.412 54.205 53.050 -0.427 0.000 0.900 165 N CB -0.096 38.016 38.487 -0.625 0.000 0.961 165 N HN 0.543 nan 8.380 nan 0.000 0.443 166 F N -1.398 118.520 119.950 -0.054 0.000 2.720 166 F HA 0.277 4.804 4.527 0.000 0.000 0.301 166 F C 0.493 176.586 175.800 0.488 0.000 1.103 166 F CA -0.306 57.722 58.000 0.048 0.000 1.291 166 F CB 0.804 39.831 39.000 0.045 0.000 1.086 166 F HN 0.022 nan 8.300 nan 0.000 0.592 167 W N 1.993 123.428 121.300 0.225 0.000 3.775 167 W HA 0.189 4.849 4.660 0.000 0.000 0.315 167 W C -1.204 175.338 176.519 0.038 0.000 1.169 167 W CA -1.313 56.148 57.345 0.193 0.000 1.266 167 W CB 0.830 30.393 29.460 0.172 0.000 1.269 167 W HN -0.355 nan 8.180 nan 0.000 0.471 168 K N 5.991 126.134 120.400 -0.428 0.000 2.473 168 K HA -0.116 4.204 4.320 0.000 0.000 0.277 168 K C 0.559 176.932 176.600 -0.379 0.000 1.052 168 K CA 1.762 57.812 56.287 -0.395 0.000 1.114 168 K CB 0.343 32.573 32.500 -0.451 0.000 0.869 168 K HN 0.549 nan 8.250 nan 0.000 0.481 169 D N 2.656 122.946 120.400 -0.184 0.000 3.059 169 D HA -0.276 4.364 4.640 0.000 0.000 0.213 169 D C 0.193 176.488 176.300 -0.007 0.000 1.144 169 D CA 1.264 55.202 54.000 -0.104 0.000 0.975 169 D CB -1.471 39.252 40.800 -0.129 0.000 1.125 169 D HN 0.937 nan 8.370 nan 0.000 0.412 170 A N -0.283 122.578 122.820 0.068 0.000 2.748 170 A HA -0.321 3.999 4.320 0.000 0.000 0.297 170 A C 0.457 178.277 177.584 0.393 0.000 1.508 170 A CA 1.172 53.385 52.037 0.294 0.000 0.799 170 A CB -1.747 17.379 19.000 0.210 0.000 1.011 170 A HN 0.462 nan 8.150 nan 0.000 0.500 171 N N 0.442 119.276 118.700 0.222 0.000 2.416 171 N HA 0.071 4.811 4.740 0.000 0.000 0.271 171 N C 1.025 176.698 175.510 0.273 0.000 1.245 171 N CA 0.781 53.918 53.050 0.146 0.000 0.940 171 N CB 0.537 38.991 38.487 -0.056 0.000 1.175 171 N HN 0.638 nan 8.380 nan 0.000 0.483 172 K N 2.858 123.221 120.400 -0.062 0.000 2.044 172 K HA -0.179 4.141 4.320 0.000 0.000 0.210 172 K C 1.024 177.115 176.600 -0.848 0.000 1.049 172 K CA 1.343 57.177 56.287 -0.755 0.000 0.927 172 K CB 0.238 32.037 32.500 -1.169 0.000 0.713 172 K HN 0.559 nan 8.250 nan 0.000 0.443 173 Q N 0.197 119.719 119.800 -0.464 0.000 2.230 173 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 173 Q C 1.865 177.783 176.000 -0.136 0.000 0.963 173 Q CA 0.874 56.485 55.803 -0.321 0.000 0.866 173 Q CB 0.082 28.744 28.738 -0.128 0.000 0.931 173 Q HN 0.353 nan 8.270 nan 0.000 0.452 174 E N 0.047 120.259 120.200 0.020 0.000 2.072 174 E HA -0.135 4.215 4.350 0.000 0.000 0.190 174 E C 1.818 178.601 176.600 0.306 0.000 0.982 174 E CA 0.546 57.057 56.400 0.185 0.000 0.803 174 E CB -0.266 29.568 29.700 0.225 0.000 0.755 174 E HN 0.377 nan 8.360 nan 0.000 0.453 175 Y N 0.863 121.298 120.300 0.226 0.000 2.081 175 Y HA -0.257 4.293 4.550 0.000 0.000 0.280 175 Y C 2.133 178.020 175.900 -0.022 0.000 1.163 175 Y CA 1.796 59.797 58.100 -0.165 0.000 1.135 175 Y CB -0.761 37.538 38.460 -0.268 0.000 0.970 175 Y HN -0.007 nan 8.280 nan 0.000 0.498 176 F N 0.249 120.017 119.950 -0.302 0.000 2.126 176 F HA -0.257 4.270 4.527 0.000 0.000 0.299 176 F C 2.612 178.139 175.800 -0.456 0.000 1.096 176 F CA 1.280 58.886 58.000 -0.657 0.000 1.255 176 F CB -0.357 37.797 39.000 -1.409 0.000 0.997 176 F HN 0.021 nan 8.300 nan 0.000 0.479 177 K N 0.995 121.328 120.400 -0.113 0.000 2.026 177 K HA -0.199 4.121 4.320 0.000 0.000 0.208 177 K C 2.148 178.671 176.600 -0.128 0.000 1.048 177 K CA 0.979 57.204 56.287 -0.103 0.000 0.929 177 K CB -0.283 32.083 32.500 -0.223 0.000 0.713 177 K HN 0.236 nan 8.250 nan 0.000 0.439 178 L N 0.630 121.789 121.223 -0.106 0.000 2.046 178 L HA -0.221 4.120 4.340 0.000 0.000 0.208 178 L C 2.248 179.070 176.870 -0.081 0.000 1.077 178 L CA 1.801 56.598 54.840 -0.071 0.000 0.747 178 L CB -0.647 41.211 42.059 -0.335 0.000 0.896 178 L HN 0.332 nan 8.230 nan 0.000 0.432 179 Y N 1.222 121.321 120.300 -0.335 0.000 2.081 179 Y HA -0.355 4.195 4.550 0.000 0.000 0.280 179 Y C 2.716 178.667 175.900 0.085 0.000 1.163 179 Y CA 2.480 60.498 58.100 -0.137 0.000 1.135 179 Y CB -0.271 38.097 38.460 -0.153 0.000 0.970 179 Y HN 0.335 nan 8.280 nan 0.000 0.498 180 E N -0.614 119.662 120.200 0.127 0.000 2.038 180 E HA -0.209 4.141 4.350 0.000 0.000 0.195 180 E C 2.177 178.766 176.600 -0.018 0.000 1.000 180 E CA 1.986 58.447 56.400 0.102 0.000 0.803 180 E CB -0.350 29.504 29.700 0.257 0.000 0.750 180 E HN 0.338 nan 8.360 nan 0.000 0.448 181 V N 0.846 120.781 119.914 0.034 0.000 2.282 181 V HA -0.317 3.803 4.120 0.000 0.000 0.249 181 V C 2.385 178.521 176.094 0.069 0.000 1.057 181 V CA 2.343 64.699 62.300 0.092 0.000 1.032 181 V CB -0.799 31.166 31.823 0.237 0.000 0.645 181 V HN 0.445 nan 8.190 nan 0.000 0.447 182 T N 0.018 114.616 114.554 0.073 0.000 2.770 182 T HA -0.050 4.300 4.350 0.000 0.000 0.263 182 T C 2.065 176.666 174.700 -0.164 0.000 1.039 182 T CA 1.367 63.466 62.100 -0.002 0.000 1.142 182 T CB -0.421 68.546 68.868 0.163 0.000 0.868 182 T HN 0.560 nan 8.240 nan 0.000 0.435 183 A N 2.053 124.675 122.820 -0.331 0.000 1.902 183 A HA -0.117 4.204 4.320 0.000 0.000 0.217 183 A C 2.403 179.892 177.584 -0.158 0.000 1.181 183 A CA 1.276 53.121 52.037 -0.320 0.000 0.623 183 A CB -0.470 18.195 19.000 -0.559 0.000 0.818 183 A HN 0.372 nan 8.150 nan 0.000 0.443 184 R N -0.666 119.757 120.500 -0.128 0.000 2.092 184 R HA -0.027 4.313 4.340 0.000 0.000 0.231 184 R C 2.453 178.702 176.300 -0.084 0.000 1.119 184 R CA 1.070 57.122 56.100 -0.080 0.000 0.970 184 R CB -0.428 29.841 30.300 -0.051 0.000 0.864 184 R HN 0.517 nan 8.270 nan 0.000 0.440 185 A N 0.798 123.557 122.820 -0.102 0.000 1.930 185 A HA -0.093 4.227 4.320 0.000 0.000 0.217 185 A C 2.347 179.837 177.584 -0.156 0.000 1.175 185 A CA 1.183 53.142 52.037 -0.129 0.000 0.627 185 A CB -0.430 18.466 19.000 -0.173 0.000 0.815 185 A HN 0.093 nan 8.150 nan 0.000 0.443 186 V N 0.448 120.258 119.914 -0.173 0.000 2.343 186 V HA -0.218 3.902 4.120 0.000 0.000 0.247 186 V C 2.444 178.461 176.094 -0.128 0.000 1.051 186 V CA 2.087 64.275 62.300 -0.186 0.000 1.036 186 V CB -0.539 31.172 31.823 -0.186 0.000 0.654 186 V HN 0.406 nan 8.190 nan 0.000 0.451 187 K N 0.798 121.144 120.400 -0.089 0.000 2.211 187 K HA -0.071 4.249 4.320 0.000 0.000 0.203 187 K C 2.413 178.974 176.600 -0.065 0.000 1.050 187 K CA 1.557 57.805 56.287 -0.064 0.000 0.945 187 K CB -0.605 31.864 32.500 -0.052 0.000 0.732 187 K HN 0.680 nan 8.250 nan 0.000 0.451 188 S N 0.083 115.740 115.700 -0.072 0.000 2.428 188 S HA -0.051 4.419 4.470 0.000 0.000 0.230 188 S C 2.132 176.695 174.600 -0.061 0.000 1.014 188 S CA 0.750 58.913 58.200 -0.061 0.000 0.957 188 S CB -0.362 62.802 63.200 -0.060 0.000 0.784 188 S HN -0.035 nan 8.310 nan 0.000 0.499 189 V N 1.376 121.245 119.914 -0.075 0.000 2.302 189 V HA 0.137 4.257 4.120 0.000 0.000 0.243 189 V C 0.680 176.747 176.094 -0.045 0.000 1.036 189 V CA 1.623 63.882 62.300 -0.068 0.000 1.020 189 V CB -0.698 31.071 31.823 -0.090 0.000 0.657 189 V HN 0.621 nan 8.190 nan 0.000 0.453 190 D N -1.407 118.968 120.400 -0.041 0.000 2.891 190 D HA 0.305 4.945 4.640 0.000 0.000 0.224 190 D C -2.260 174.031 176.300 -0.014 0.000 1.321 190 D CA -1.324 52.672 54.000 -0.006 0.000 0.929 190 D CB 2.312 43.133 40.800 0.035 0.000 1.551 190 D HN -0.065 nan 8.370 nan 0.000 0.574 191 P HA -0.097 nan 4.420 nan 0.000 0.223 191 P C 0.544 177.760 177.300 -0.139 0.000 1.151 191 P CA 1.036 64.059 63.100 -0.129 0.000 0.787 191 P CB 0.118 31.691 31.700 -0.211 0.000 0.788 192 H N -1.083 118.005 119.070 0.030 0.000 2.547 192 H HA 0.130 4.686 4.556 0.000 0.000 0.272 192 H C 0.980 176.359 175.328 0.085 0.000 0.989 192 H CA -0.227 55.852 56.048 0.052 0.000 1.214 192 H CB -0.582 29.204 29.762 0.041 0.000 1.389 192 H HN 0.080 nan 8.280 nan 0.000 0.577 193 L N 1.676 123.006 121.223 0.178 0.000 2.485 193 L HA -0.005 4.335 4.340 0.000 0.000 0.275 193 L C 0.156 177.181 176.870 0.258 0.000 1.207 193 L CA 0.401 55.373 54.840 0.221 0.000 0.855 193 L CB 0.483 42.602 42.059 0.100 0.000 1.114 193 L HN 0.278 nan 8.230 nan 0.000 0.485 194 Q N 2.625 122.659 119.800 0.391 0.000 2.340 194 Q HA 0.467 4.807 4.340 0.000 0.000 0.259 194 Q C -0.852 175.467 176.000 0.532 0.000 0.964 194 Q CA -0.295 55.741 55.803 0.389 0.000 0.900 194 Q CB 2.514 31.448 28.738 0.327 0.000 1.228 194 Q HN 0.438 nan 8.270 nan 0.000 0.449 195 V N 1.976 122.114 119.914 0.373 0.000 2.769 195 V HA 0.968 5.088 4.120 0.000 0.000 0.312 195 V C -0.468 175.625 176.094 -0.003 0.000 1.061 195 V CA -0.203 62.293 62.300 0.326 0.000 0.931 195 V CB 1.910 33.876 31.823 0.238 0.000 1.010 195 V HN 0.839 nan 8.190 nan 0.000 0.433 196 G N 2.618 111.275 108.800 -0.238 0.000 2.645 196 G HA2 0.858 4.818 3.960 0.000 0.000 0.292 196 G HA3 0.858 4.818 3.960 0.000 0.000 0.292 196 G C -0.498 174.343 174.900 -0.098 0.000 1.415 196 G CA -0.040 44.579 45.100 -0.801 0.000 0.785 196 G HN 1.570 nan 8.290 nan 0.000 0.483 197 G N -1.574 107.115 108.800 -0.184 0.000 2.341 197 G HA2 0.628 4.588 3.960 0.000 0.000 0.299 197 G HA3 0.628 4.588 3.960 0.000 0.000 0.299 197 G C -2.841 171.740 174.900 -0.531 0.000 1.274 197 G CA 0.142 45.116 45.100 -0.210 0.000 0.853 197 G HN 0.550 nan 8.290 nan 0.000 0.493 198 P HA 0.339 nan 4.420 nan 0.000 0.268 198 P C 0.685 177.725 177.300 -0.433 0.000 1.329 198 P CA 1.048 63.750 63.100 -0.663 0.000 0.899 198 P CB 0.973 32.226 31.700 -0.746 0.000 1.378 199 A N 0.458 123.091 122.820 -0.312 0.000 2.846 199 A HA -0.184 4.136 4.320 0.000 0.000 0.287 199 A C 0.378 177.543 177.584 -0.698 0.000 1.469 199 A CA 0.708 52.509 52.037 -0.393 0.000 0.757 199 A CB -2.777 16.114 19.000 -0.182 0.000 1.033 199 A HN 0.497 nan 8.150 nan 0.000 0.516 200 I N -2.390 117.814 120.570 -0.609 0.000 2.677 200 I HA 0.706 4.876 4.170 0.000 0.000 0.305 200 I C 0.964 176.767 176.117 -0.522 0.000 0.988 200 I CA -0.754 60.188 61.300 -0.596 0.000 1.260 200 I CB 1.203 38.898 38.000 -0.507 0.000 1.410 200 I HN 0.713 nan 8.210 nan 0.000 0.523 201 C N 2.362 121.448 119.300 -0.357 0.000 2.347 201 C HA 0.868 5.328 4.460 0.000 0.000 0.366 201 C C 1.115 176.053 174.990 -0.086 0.000 1.241 201 C CA -0.335 58.610 59.018 -0.122 0.000 2.360 201 C CB 0.098 27.823 27.740 -0.024 0.000 2.290 201 C HN 1.111 nan 8.230 nan 0.000 0.587 202 G N -0.443 108.371 108.800 0.024 0.000 2.716 202 G HA2 0.452 4.412 3.960 0.000 0.000 0.251 202 G HA3 0.452 4.412 3.960 0.000 0.000 0.251 202 G C 1.129 176.041 174.900 0.020 0.000 1.224 202 G CA 0.265 45.390 45.100 0.041 0.000 0.891 202 G HN 2.583 nan 8.290 nan 0.000 0.561 203 G N -1.737 107.086 108.800 0.038 0.000 2.160 203 G HA2 0.025 3.985 3.960 0.000 0.000 0.251 203 G HA3 0.025 3.985 3.960 0.000 0.000 0.251 203 G C 0.533 175.452 174.900 0.031 0.000 1.008 203 G CA 1.089 46.212 45.100 0.037 0.000 0.724 203 G HN 2.171 nan 8.290 nan 0.000 0.514 204 S N -1.302 114.414 115.700 0.028 0.000 2.645 204 S HA 0.343 4.813 4.470 0.000 0.000 0.168 204 S C 0.167 174.856 174.600 0.149 0.000 0.988 204 S CA 0.267 58.523 58.200 0.093 0.000 1.132 204 S CB 0.628 63.883 63.200 0.092 0.000 1.691 204 S HN 0.005 nan 8.310 nan 0.000 0.457 205 D N 2.041 122.512 120.400 0.119 0.000 2.378 205 D HA -0.038 4.602 4.640 0.000 0.000 0.222 205 D C 1.462 177.869 176.300 0.179 0.000 0.980 205 D CA 0.645 54.725 54.000 0.133 0.000 0.907 205 D CB 0.196 41.050 40.800 0.091 0.000 0.899 205 D HN 0.740 nan 8.370 nan 0.000 0.527 206 E N -0.488 119.828 120.200 0.194 0.000 2.209 206 E HA -0.184 4.166 4.350 0.000 0.000 0.196 206 E C 1.622 178.367 176.600 0.243 0.000 0.993 206 E CA 0.600 57.107 56.400 0.178 0.000 0.819 206 E CB -0.063 29.719 29.700 0.136 0.000 0.745 206 E HN 0.387 nan 8.360 nan 0.000 0.477 207 W N 0.680 122.039 121.300 0.098 0.000 2.342 207 W HA -0.121 4.539 4.660 0.000 0.000 0.297 207 W C 1.947 178.588 176.519 0.204 0.000 1.213 207 W CA 0.864 58.297 57.345 0.147 0.000 1.251 207 W CB -0.212 29.271 29.460 0.038 0.000 1.136 207 W HN 0.061 nan 8.180 nan 0.000 0.526 208 I N -0.333 120.449 120.570 0.354 0.000 2.353 208 I HA -0.277 3.893 4.170 0.000 0.000 0.248 208 I C 2.633 178.926 176.117 0.293 0.000 1.119 208 I CA 1.805 63.283 61.300 0.298 0.000 1.417 208 I CB -0.775 37.339 38.000 0.190 0.000 1.078 208 I HN 0.018 nan 8.210 nan 0.000 0.421 209 T N -2.287 112.402 114.554 0.225 0.000 2.851 209 T HA -0.124 4.226 4.350 0.000 0.000 0.262 209 T C 1.531 176.342 174.700 0.184 0.000 1.043 209 T CA 1.142 63.347 62.100 0.176 0.000 1.140 209 T CB -0.336 68.603 68.868 0.118 0.000 0.872 209 T HN 0.168 nan 8.240 nan 0.000 0.446 210 D N 0.611 121.130 120.400 0.198 0.000 2.178 210 D HA -0.013 4.627 4.640 0.000 0.000 0.201 210 D C 1.602 177.981 176.300 0.132 0.000 0.980 210 D CA 0.707 54.838 54.000 0.218 0.000 0.842 210 D CB -0.570 40.379 40.800 0.248 0.000 0.948 210 D HN 0.447 nan 8.370 nan 0.000 0.472 211 F N 1.598 121.532 119.950 -0.026 0.000 2.075 211 F HA -0.113 4.415 4.527 0.000 0.000 0.297 211 F C 2.060 177.753 175.800 -0.179 0.000 1.113 211 F CA 1.222 59.014 58.000 -0.347 0.000 1.218 211 F CB -0.383 38.586 39.000 -0.053 0.000 0.984 211 F HN -0.137 nan 8.300 nan 0.000 0.472 212 L N -0.660 120.506 121.223 -0.095 0.000 2.217 212 L HA -0.174 4.166 4.340 0.000 0.000 0.211 212 L C 2.454 179.378 176.870 0.091 0.000 1.107 212 L CA 1.415 56.208 54.840 -0.078 0.000 0.783 212 L CB -1.068 41.102 42.059 0.185 0.000 0.919 212 L HN 0.277 nan 8.230 nan 0.000 0.442 213 H N 0.119 119.187 119.070 -0.003 0.000 2.357 213 H HA -0.254 4.302 4.556 0.000 0.000 0.301 213 H C 2.047 177.348 175.328 -0.046 0.000 1.082 213 H CA 1.864 57.908 56.048 -0.007 0.000 1.342 213 H CB -0.173 29.602 29.762 0.022 0.000 1.389 213 H HN 0.242 nan 8.280 nan 0.000 0.511 214 F N 0.368 120.163 119.950 -0.259 0.000 2.095 214 F HA -0.232 4.295 4.527 0.000 0.000 0.298 214 F C 2.271 177.873 175.800 -0.330 0.000 1.104 214 F CA 1.716 59.495 58.000 -0.368 0.000 1.232 214 F CB -0.903 37.693 39.000 -0.674 0.000 0.987 214 F HN 0.296 nan 8.300 nan 0.000 0.475 215 C N 0.516 119.582 119.300 -0.391 0.000 2.435 215 C HA -0.001 4.459 4.460 0.000 0.000 0.279 215 C C 3.139 178.061 174.990 -0.114 0.000 1.321 215 C CA 0.964 59.767 59.018 -0.358 0.000 1.752 215 C CB -1.862 25.594 27.740 -0.473 0.000 1.959 215 C HN 0.653 nan 8.230 nan 0.000 0.500 216 A N 0.384 123.191 122.820 -0.022 0.000 1.897 216 A HA -0.180 4.140 4.320 0.000 0.000 0.215 216 A C 2.105 179.547 177.584 -0.236 0.000 1.181 216 A CA 1.706 53.673 52.037 -0.117 0.000 0.620 216 A CB -0.582 18.253 19.000 -0.273 0.000 0.821 216 A HN 0.678 nan 8.150 nan 0.000 0.443 217 E N -0.796 119.193 120.200 -0.351 0.000 2.107 217 E HA -0.115 4.236 4.350 0.000 0.000 0.191 217 E C 1.621 178.037 176.600 -0.307 0.000 0.982 217 E CA 0.627 56.821 56.400 -0.343 0.000 0.809 217 E CB 0.053 29.490 29.700 -0.439 0.000 0.756 217 E HN 0.287 nan 8.360 nan 0.000 0.459 218 R N 0.369 120.612 120.500 -0.429 0.000 2.334 218 R HA 0.196 4.536 4.340 0.000 0.000 0.216 218 R C 0.009 176.136 176.300 -0.288 0.000 0.905 218 R CA 0.001 55.858 56.100 -0.406 0.000 1.064 218 R CB 0.015 29.905 30.300 -0.684 0.000 1.046 218 R HN 0.156 nan 8.270 nan 0.000 0.508 219 R N 0.352 120.719 120.500 -0.223 0.000 3.264 219 R HA -0.123 4.217 4.340 0.000 0.000 0.251 219 R C -0.621 175.619 176.300 -0.100 0.000 0.971 219 R CA 0.366 56.395 56.100 -0.118 0.000 0.658 219 R CB -1.963 28.283 30.300 -0.091 0.000 1.095 219 R HN -0.079 nan 8.270 nan 0.000 0.443 220 V N 0.942 120.780 119.914 -0.127 0.000 2.509 220 V HA 0.286 4.406 4.120 0.000 0.000 0.284 220 V C -1.577 174.514 176.094 -0.006 0.000 1.047 220 V CA -1.837 60.430 62.300 -0.056 0.000 0.952 220 V CB 1.555 33.364 31.823 -0.025 0.000 0.988 220 V HN 0.060 nan 8.190 nan 0.000 0.469 221 P HA 0.295 nan 4.420 nan 0.000 0.271 221 P C -1.061 176.276 177.300 0.061 0.000 1.216 221 P CA 0.027 63.138 63.100 0.018 0.000 0.771 221 P CB 0.609 32.320 31.700 0.018 0.000 0.864 222 V N 1.897 121.759 119.914 -0.087 0.000 2.668 222 V HA 0.327 4.447 4.120 0.000 0.000 0.304 222 V C 0.002 176.030 176.094 -0.110 0.000 1.071 222 V CA -0.424 61.807 62.300 -0.115 0.000 0.894 222 V CB 2.311 33.834 31.823 -0.501 0.000 1.008 222 V HN 0.433 nan 8.190 nan 0.000 0.425 223 D N 2.491 122.890 120.400 -0.002 0.000 2.449 223 D HA 0.251 4.892 4.640 0.000 0.000 0.210 223 D C -0.123 176.340 176.300 0.271 0.000 1.094 223 D CA 0.909 54.989 54.000 0.133 0.000 0.846 223 D CB 1.438 42.377 40.800 0.232 0.000 1.003 223 D HN 0.583 nan 8.370 nan 0.000 0.504 224 F N -1.051 118.996 119.950 0.162 0.000 2.693 224 F HA 0.543 5.070 4.527 0.000 0.000 0.309 224 F C -1.593 174.334 175.800 0.211 0.000 1.129 224 F CA -1.359 56.752 58.000 0.184 0.000 0.948 224 F CB 0.864 40.042 39.000 0.296 0.000 1.315 224 F HN -0.394 nan 8.300 nan 0.000 0.447 225 V N 1.680 121.830 119.914 0.393 0.000 2.547 225 V HA 0.708 4.828 4.120 0.000 0.000 0.299 225 V C -0.417 175.920 176.094 0.404 0.000 1.040 225 V CA -0.479 61.992 62.300 0.284 0.000 0.913 225 V CB 1.502 33.435 31.823 0.183 0.000 0.992 225 V HN 0.908 nan 8.190 nan 0.000 0.449 226 S N 3.927 119.790 115.700 0.271 0.000 2.526 226 S HA 0.842 5.312 4.470 0.000 0.000 0.293 226 S C -0.715 173.890 174.600 0.008 0.000 1.092 226 S CA -0.688 57.655 58.200 0.239 0.000 0.980 226 S CB 1.350 64.746 63.200 0.327 0.000 1.048 226 S HN 0.812 nan 8.310 nan 0.000 0.483 227 R N 1.871 122.360 120.500 -0.018 0.000 2.690 227 R HA 0.340 4.680 4.340 0.000 0.000 0.269 227 R C -1.684 174.618 176.300 0.003 0.000 1.037 227 R CA -0.561 55.469 56.100 -0.117 0.000 0.877 227 R CB 1.120 31.380 30.300 -0.068 0.000 1.255 227 R HN 0.845 nan 8.270 nan 0.000 0.467 228 H N 0.058 119.056 119.070 -0.119 0.000 2.499 228 H HA 0.693 5.249 4.556 0.000 0.000 0.340 228 H C -0.775 174.506 175.328 -0.078 0.000 1.148 228 H CA -0.949 55.013 56.048 -0.143 0.000 1.215 228 H CB 2.110 31.788 29.762 -0.140 0.000 1.529 228 H HN 0.611 nan 8.280 nan 0.000 0.510 229 A N 3.063 125.873 122.820 -0.018 0.000 2.359 229 A HA 0.591 4.912 4.320 0.000 0.000 0.303 229 A C -1.724 175.767 177.584 -0.155 0.000 1.066 229 A CA -0.463 51.614 52.037 0.068 0.000 0.730 229 A CB 0.601 19.800 19.000 0.332 0.000 1.211 229 A HN 0.649 nan 8.150 nan 0.000 0.439 230 Y N -0.105 120.341 120.300 0.243 0.000 2.615 230 Y HA 0.539 5.089 4.550 0.000 0.000 0.341 230 Y C 1.137 177.171 175.900 0.224 0.000 1.089 230 Y CA -0.042 58.211 58.100 0.254 0.000 1.049 230 Y CB 2.770 41.435 38.460 0.341 0.000 1.296 230 Y HN 0.659 nan 8.280 nan 0.000 0.470 231 T N -3.593 111.174 114.554 0.354 0.000 3.170 231 T HA 0.174 4.524 4.350 0.000 0.000 0.288 231 T C -0.059 174.748 174.700 0.179 0.000 0.992 231 T CA -0.233 62.013 62.100 0.244 0.000 0.909 231 T CB -0.347 68.662 68.868 0.234 0.000 1.133 231 T HN 0.466 nan 8.240 nan 0.000 0.530 232 S N 1.036 116.827 115.700 0.152 0.000 2.586 232 S HA 0.590 5.060 4.470 0.000 0.000 0.274 232 S C -0.149 174.515 174.600 0.107 0.000 1.281 232 S CA -0.881 57.335 58.200 0.027 0.000 1.035 232 S CB 1.499 64.584 63.200 -0.191 0.000 0.962 232 S HN 0.345 nan 8.310 nan 0.000 0.512 233 K N 0.997 121.455 120.400 0.097 0.000 2.102 233 K HA 0.600 4.920 4.320 0.000 0.000 0.244 233 K C 0.492 177.174 176.600 0.137 0.000 1.021 233 K CA -0.342 56.029 56.287 0.140 0.000 0.913 233 K CB 0.381 32.949 32.500 0.113 0.000 1.062 233 K HN 0.866 nan 8.250 nan 0.000 0.485 234 A N 2.274 125.196 122.820 0.170 0.000 2.587 234 A HA 0.072 4.392 4.320 0.000 0.000 0.233 234 A C -2.134 175.489 177.584 0.064 0.000 1.049 234 A CA -0.692 51.427 52.037 0.137 0.000 0.754 234 A CB -0.778 18.284 19.000 0.103 0.000 0.977 234 A HN 0.355 nan 8.150 nan 0.000 0.509 235 P HA 0.029 nan 4.420 nan 0.000 0.264 235 P C 0.478 177.745 177.300 -0.055 0.000 1.193 235 P CA 0.421 63.442 63.100 -0.132 0.000 0.763 235 P CB 0.263 31.722 31.700 -0.402 0.000 0.810 236 H N 2.573 121.646 119.070 0.006 0.000 2.563 236 H HA 0.276 4.832 4.556 0.000 0.000 0.264 236 H C 0.188 175.539 175.328 0.038 0.000 0.957 236 H CA 0.275 56.333 56.048 0.017 0.000 1.173 236 H CB 0.842 30.617 29.762 0.022 0.000 1.420 236 H HN 0.272 nan 8.280 nan 0.000 0.551 237 K N 1.058 121.290 120.400 -0.280 0.000 2.535 237 K HA 0.324 4.644 4.320 0.000 0.000 0.251 237 K C -1.330 175.271 176.600 0.001 0.000 0.942 237 K CA -0.582 55.673 56.287 -0.052 0.000 0.798 237 K CB 2.633 35.151 32.500 0.030 0.000 1.267 237 K HN 0.071 nan 8.250 nan 0.000 0.434 238 K N 1.721 122.143 120.400 0.036 0.000 2.316 238 K HA 0.422 4.742 4.320 0.000 0.000 0.251 238 K C -0.667 176.011 176.600 0.130 0.000 0.934 238 K CA -0.845 55.480 56.287 0.063 0.000 0.802 238 K CB 2.296 34.792 32.500 -0.008 0.000 1.171 238 K HN 0.467 nan 8.250 nan 0.000 0.426 239 T N 0.653 115.284 114.554 0.128 0.000 2.910 239 T HA 0.279 4.629 4.350 0.000 0.000 0.287 239 T C 0.657 175.379 174.700 0.037 0.000 1.050 239 T CA -0.710 61.450 62.100 0.101 0.000 1.011 239 T CB 0.404 69.318 68.868 0.077 0.000 1.195 239 T HN 0.536 nan 8.240 nan 0.000 0.540 240 F N 0.862 120.812 119.950 0.000 0.000 2.494 240 F HA 0.132 4.660 4.527 0.000 0.000 0.298 240 F C 1.396 177.150 175.800 -0.078 0.000 1.106 240 F CA 1.273 59.262 58.000 -0.018 0.000 1.452 240 F CB -0.195 38.792 39.000 -0.022 0.000 1.085 240 F HN 0.691 nan 8.300 nan 0.000 0.569 241 E N -1.524 118.153 120.200 -0.871 0.000 2.603 241 E HA 0.162 4.512 4.350 0.000 0.000 0.224 241 E C -0.562 175.633 176.600 -0.676 0.000 0.896 241 E CA -0.338 55.505 56.400 -0.928 0.000 1.224 241 E CB -0.229 28.574 29.700 -1.495 0.000 1.206 241 E HN 0.489 nan 8.360 nan 0.000 0.576 242 Y N 0.007 120.121 120.300 -0.309 0.000 2.536 242 Y HA 0.496 5.046 4.550 0.000 0.000 0.347 242 Y C -0.968 174.861 175.900 -0.118 0.000 1.000 242 Y CA -1.577 56.315 58.100 -0.348 0.000 1.051 242 Y CB 1.586 39.680 38.460 -0.611 0.000 1.259 242 Y HN -0.051 nan 8.280 nan 0.000 0.468 243 Y N 1.471 121.627 120.300 -0.240 0.000 2.341 243 Y HA 0.363 4.913 4.550 0.000 0.000 0.338 243 Y C -0.947 174.707 175.900 -0.411 0.000 0.965 243 Y CA -1.991 55.961 58.100 -0.246 0.000 1.108 243 Y CB 0.708 39.075 38.460 -0.156 0.000 1.180 243 Y HN 0.483 nan 8.280 nan 0.000 0.458 244 Y N 2.123 122.372 120.300 -0.085 0.000 2.361 244 Y HA 0.571 5.121 4.550 0.000 0.000 0.332 244 Y C -0.000 175.713 175.900 -0.312 0.000 1.101 244 Y CA -0.629 57.334 58.100 -0.228 0.000 1.137 244 Y CB 1.710 39.974 38.460 -0.326 0.000 1.207 244 Y HN 0.448 nan 8.280 nan 0.000 0.463 245 Q N 1.527 121.364 119.800 0.062 0.000 2.345 245 Q HA 0.222 4.562 4.340 0.000 0.000 0.275 245 Q C -1.346 174.770 176.000 0.194 0.000 1.063 245 Q CA -1.079 54.791 55.803 0.112 0.000 0.819 245 Q CB 2.986 31.701 28.738 -0.038 0.000 1.356 245 Q HN 0.670 nan 8.270 nan 0.000 0.418 246 E N 2.582 122.913 120.200 0.219 0.000 2.366 246 E HA 0.304 4.654 4.350 0.000 0.000 0.266 246 E C -1.177 175.464 176.600 0.067 0.000 1.051 246 E CA -0.229 56.232 56.400 0.102 0.000 0.884 246 E CB 0.704 30.425 29.700 0.035 0.000 1.006 246 E HN 0.441 nan 8.360 nan 0.000 0.417 247 L N 3.366 124.625 121.223 0.060 0.000 2.322 247 L HA 0.358 4.698 4.340 0.000 0.000 0.281 247 L C -0.115 176.831 176.870 0.126 0.000 1.014 247 L CA -0.967 53.916 54.840 0.071 0.000 0.815 247 L CB 1.760 43.844 42.059 0.040 0.000 1.247 247 L HN 0.664 nan 8.230 nan 0.000 0.421 248 E N 3.499 123.788 120.200 0.149 0.000 2.392 248 E HA 0.188 4.538 4.350 0.000 0.000 0.259 248 E C -2.261 174.483 176.600 0.240 0.000 1.108 248 E CA -1.110 55.385 56.400 0.158 0.000 0.916 248 E CB 0.419 30.200 29.700 0.135 0.000 0.989 248 E HN 0.276 nan 8.360 nan 0.000 0.432 249 P HA -0.015 nan 4.420 nan 0.000 0.270 249 P C -2.128 175.158 177.300 -0.022 0.000 1.223 249 P CA -0.887 62.253 63.100 0.066 0.000 0.785 249 P CB 0.106 31.812 31.700 0.009 0.000 0.923 250 P HA -0.158 nan 4.420 nan 0.000 0.219 250 P C 1.296 178.471 177.300 -0.209 0.000 1.146 250 P CA 1.420 64.251 63.100 -0.448 0.000 0.808 250 P CB -0.130 31.180 31.700 -0.651 0.000 0.779 251 E N -0.181 119.931 120.200 -0.147 0.000 2.110 251 E HA -0.190 4.160 4.350 0.000 0.000 0.193 251 E C 1.367 177.901 176.600 -0.110 0.000 0.988 251 E CA 1.245 57.576 56.400 -0.116 0.000 0.804 251 E CB -0.489 29.168 29.700 -0.071 0.000 0.745 251 E HN 0.315 nan 8.360 nan 0.000 0.458 252 D N 0.446 120.811 120.400 -0.058 0.000 2.123 252 D HA -0.186 4.454 4.640 0.000 0.000 0.196 252 D C 1.868 178.136 176.300 -0.054 0.000 0.992 252 D CA 0.997 54.982 54.000 -0.024 0.000 0.833 252 D CB -0.252 40.571 40.800 0.039 0.000 0.954 252 D HN 0.152 nan 8.370 nan 0.000 0.455 253 M N -0.222 119.327 119.600 -0.086 0.000 2.156 253 M HA -0.055 4.425 4.480 0.000 0.000 0.264 253 M C 1.735 177.717 176.300 -0.529 0.000 1.067 253 M CA 1.093 56.273 55.300 -0.201 0.000 1.131 253 M CB 0.091 32.591 32.600 -0.166 0.000 1.368 253 M HN -0.032 nan 8.290 nan 0.000 0.416 254 L N -0.205 120.703 121.223 -0.525 0.000 2.131 254 L HA -0.188 4.152 4.340 0.000 0.000 0.210 254 L C 2.078 178.683 176.870 -0.443 0.000 1.092 254 L CA 1.239 55.731 54.840 -0.581 0.000 0.759 254 L CB -0.634 41.229 42.059 -0.327 0.000 0.903 254 L HN 0.340 nan 8.230 nan 0.000 0.435 255 E N -0.321 119.711 120.200 -0.280 0.000 2.107 255 E HA -0.201 4.150 4.350 0.000 0.000 0.191 255 E C 2.274 178.802 176.600 -0.119 0.000 0.982 255 E CA 0.741 57.021 56.400 -0.200 0.000 0.809 255 E CB 0.048 29.677 29.700 -0.118 0.000 0.756 255 E HN 0.453 nan 8.360 nan 0.000 0.459 256 Q N -0.312 119.458 119.800 -0.051 0.000 2.045 256 Q HA -0.211 4.129 4.340 0.000 0.000 0.206 256 Q C 1.924 178.021 176.000 0.161 0.000 0.991 256 Q CA 1.476 57.322 55.803 0.072 0.000 0.851 256 Q CB -0.242 28.585 28.738 0.148 0.000 0.911 256 Q HN 0.273 nan 8.270 nan 0.000 0.418 257 F N 0.996 120.855 119.950 -0.152 0.000 2.095 257 F HA -0.195 4.332 4.527 0.000 0.000 0.298 257 F C 2.360 178.053 175.800 -0.179 0.000 1.104 257 F CA 1.388 59.303 58.000 -0.142 0.000 1.232 257 F CB -0.747 38.171 39.000 -0.137 0.000 0.987 257 F HN 0.050 nan 8.300 nan 0.000 0.475 258 K N -0.394 119.895 120.400 -0.186 0.000 2.062 258 K HA -0.120 4.200 4.320 0.000 0.000 0.205 258 K C 2.106 178.641 176.600 -0.108 0.000 1.051 258 K CA 1.658 57.748 56.287 -0.328 0.000 0.941 258 K CB -0.310 31.758 32.500 -0.720 0.000 0.719 258 K HN 0.088 nan 8.250 nan 0.000 0.440 259 T N 0.638 115.148 114.554 -0.074 0.000 2.635 259 T HA -0.148 4.202 4.350 0.000 0.000 0.267 259 T C 1.771 176.478 174.700 0.012 0.000 1.040 259 T CA 1.746 63.834 62.100 -0.019 0.000 1.156 259 T CB -0.188 68.678 68.868 -0.003 0.000 0.863 259 T HN 0.021 nan 8.240 nan 0.000 0.430 260 V N 1.511 121.440 119.914 0.025 0.000 2.343 260 V HA -0.147 3.973 4.120 0.000 0.000 0.247 260 V C 2.549 178.663 176.094 0.034 0.000 1.051 260 V CA 1.898 64.219 62.300 0.035 0.000 1.036 260 V CB -0.585 31.255 31.823 0.029 0.000 0.654 260 V HN 0.301 nan 8.190 nan 0.000 0.451 261 R N 1.235 121.752 120.500 0.030 0.000 2.120 261 R HA -0.093 4.247 4.340 0.000 0.000 0.234 261 R C 2.017 178.333 176.300 0.027 0.000 1.123 261 R CA 1.852 57.971 56.100 0.032 0.000 0.975 261 R CB -0.766 29.573 30.300 0.064 0.000 0.866 261 R HN 0.448 nan 8.270 nan 0.000 0.446 262 A N 0.476 123.311 122.820 0.026 0.000 1.929 262 A HA -0.010 4.310 4.320 0.000 0.000 0.216 262 A C 2.161 179.764 177.584 0.031 0.000 1.176 262 A CA 1.257 53.308 52.037 0.023 0.000 0.628 262 A CB -0.493 18.517 19.000 0.016 0.000 0.816 262 A HN 0.346 nan 8.150 nan 0.000 0.444 263 L N -0.433 120.815 121.223 0.042 0.000 2.013 263 L HA -0.240 4.100 4.340 0.000 0.000 0.212 263 L C 2.469 179.381 176.870 0.070 0.000 1.073 263 L CA 1.645 56.521 54.840 0.059 0.000 0.753 263 L CB -0.691 41.413 42.059 0.074 0.000 0.890 263 L HN 0.358 nan 8.230 nan 0.000 0.432 264 I N -0.574 120.037 120.570 0.068 0.000 2.226 264 I HA -0.266 3.904 4.170 0.000 0.000 0.245 264 I C 2.736 178.886 176.117 0.055 0.000 1.100 264 I CA 1.249 62.597 61.300 0.079 0.000 1.374 264 I CB -0.369 37.670 38.000 0.064 0.000 1.057 264 I HN 0.227 nan 8.210 nan 0.000 0.413 265 R N 0.637 121.149 120.500 0.020 0.000 2.148 265 R HA -0.134 4.206 4.340 0.000 0.000 0.227 265 R C 1.654 177.964 176.300 0.018 0.000 1.103 265 R CA 0.965 57.061 56.100 -0.006 0.000 0.983 265 R CB -0.340 29.947 30.300 -0.023 0.000 0.874 265 R HN 0.529 nan 8.270 nan 0.000 0.451 266 Q N 0.725 120.544 119.800 0.031 0.000 2.320 266 Q HA 0.055 4.395 4.340 0.000 0.000 0.201 266 Q C 0.347 176.369 176.000 0.037 0.000 0.910 266 Q CA -0.027 55.795 55.803 0.031 0.000 0.946 266 Q CB 0.833 29.589 28.738 0.030 0.000 1.062 266 Q HN 0.179 nan 8.270 nan 0.000 0.503 267 S N -0.590 115.142 115.700 0.054 0.000 2.745 267 S HA 0.366 4.836 4.470 0.000 0.000 0.292 267 S C -2.113 172.490 174.600 0.004 0.000 1.133 267 S CA -1.453 56.788 58.200 0.069 0.000 0.998 267 S CB 1.025 64.313 63.200 0.146 0.000 1.087 267 S HN -0.201 nan 8.310 nan 0.000 0.551 268 P HA 0.125 nan 4.420 nan 0.000 0.236 268 P C -0.504 176.443 177.300 -0.589 0.000 1.172 268 P CA 0.923 63.797 63.100 -0.378 0.000 0.759 268 P CB -0.289 31.060 31.700 -0.586 0.000 0.843 269 F N -0.552 119.402 119.950 0.007 0.000 2.542 269 F HA 0.312 4.839 4.527 0.000 0.000 0.323 269 F C -1.473 174.356 175.800 0.049 0.000 1.411 269 F CA -2.055 55.961 58.000 0.026 0.000 1.124 269 F CB 0.884 39.888 39.000 0.007 0.000 1.331 269 F HN -0.095 nan 8.300 nan 0.000 0.560 270 P HA -0.154 nan 4.420 nan 0.000 0.225 270 P C 0.564 177.860 177.300 -0.006 0.000 1.148 270 P CA 1.539 64.694 63.100 0.091 0.000 0.779 270 P CB 0.066 31.824 31.700 0.096 0.000 0.780 271 H N -1.261 117.875 119.070 0.111 0.000 2.487 271 H HA 0.297 4.853 4.556 0.000 0.000 0.290 271 H C 0.566 175.951 175.328 0.096 0.000 1.081 271 H CA -0.320 55.781 56.048 0.089 0.000 1.116 271 H CB -0.659 29.145 29.762 0.070 0.000 1.560 271 H HN 0.050 nan 8.280 nan 0.000 0.548 272 L N 2.149 123.463 121.223 0.151 0.000 2.367 272 L HA 0.205 4.545 4.340 0.000 0.000 0.275 272 L C -1.818 175.098 176.870 0.076 0.000 1.129 272 L CA -2.022 52.898 54.840 0.134 0.000 0.839 272 L CB 0.583 42.717 42.059 0.125 0.000 1.133 272 L HN 0.039 nan 8.230 nan 0.000 0.453 273 P HA -0.053 nan 4.420 nan 0.000 0.266 273 P C -0.775 176.474 177.300 -0.085 0.000 1.186 273 P CA 0.235 63.292 63.100 -0.072 0.000 0.767 273 P CB 0.488 32.151 31.700 -0.062 0.000 0.820 274 L N 4.295 125.375 121.223 -0.240 0.000 2.325 274 L HA 0.343 4.683 4.340 0.000 0.000 0.281 274 L C -0.510 176.142 176.870 -0.365 0.000 1.004 274 L CA -0.591 54.146 54.840 -0.171 0.000 0.823 274 L CB 0.638 42.628 42.059 -0.116 0.000 1.236 274 L HN 0.459 nan 8.230 nan 0.000 0.415 275 H N 6.107 125.203 119.070 0.043 0.000 2.511 275 H HA 0.345 4.901 4.556 0.000 0.000 0.328 275 H C -0.334 174.967 175.328 -0.044 0.000 1.044 275 H CA -0.713 55.333 56.048 -0.005 0.000 1.212 275 H CB 2.392 32.180 29.762 0.042 0.000 1.428 275 H HN 0.385 nan 8.280 nan 0.000 0.483 276 I N 4.159 124.723 120.570 -0.011 0.000 2.294 276 I HA -0.037 4.133 4.170 0.000 0.000 0.295 276 I C 1.653 177.784 176.117 0.023 0.000 1.098 276 I CA 0.009 61.262 61.300 -0.078 0.000 1.277 276 I CB 0.122 37.903 38.000 -0.366 0.000 1.434 276 I HN 0.585 nan 8.210 nan 0.000 0.498 277 T N 2.053 116.613 114.554 0.010 0.000 3.113 277 T HA 0.189 4.539 4.350 0.000 0.000 0.256 277 T C 0.532 175.051 174.700 -0.302 0.000 1.131 277 T CA 0.250 62.249 62.100 -0.167 0.000 1.074 277 T CB 0.124 68.852 68.868 -0.233 0.000 0.944 277 T HN 0.582 nan 8.240 nan 0.000 0.516 278 E N 0.134 120.127 120.200 -0.344 0.000 2.354 278 E HA 0.511 4.861 4.350 0.000 0.000 0.283 278 E C -1.842 174.533 176.600 -0.376 0.000 0.938 278 E CA -1.155 54.916 56.400 -0.548 0.000 0.777 278 E CB 2.146 31.106 29.700 -1.233 0.000 1.222 278 E HN 0.517 nan 8.360 nan 0.000 0.423 279 Y N 1.088 121.130 120.300 -0.430 0.000 2.581 279 Y HA 0.745 5.295 4.550 0.000 0.000 0.337 279 Y C -1.248 174.433 175.900 -0.365 0.000 1.108 279 Y CA -0.600 57.219 58.100 -0.468 0.000 1.033 279 Y CB 1.843 40.318 38.460 0.026 0.000 1.318 279 Y HN 0.639 nan 8.280 nan 0.000 0.459 280 N N -0.765 117.789 118.700 -0.243 0.000 3.373 280 N HA 0.237 4.977 4.740 0.000 0.000 0.275 280 N C 0.162 175.834 175.510 0.269 0.000 1.489 280 N CA -0.102 52.935 53.050 -0.021 0.000 0.872 280 N CB 1.342 39.805 38.487 -0.039 0.000 1.555 280 N HN 0.889 nan 8.380 nan 0.000 0.500 281 T N -1.685 112.996 114.554 0.211 0.000 2.639 281 T HA 0.007 4.357 4.350 0.000 0.000 0.261 281 T C 1.009 175.810 174.700 0.169 0.000 1.053 281 T CA 0.999 63.097 62.100 -0.003 0.000 1.158 281 T CB -0.434 68.249 68.868 -0.307 0.000 0.863 281 T HN 0.293 nan 8.240 nan 0.000 0.413 282 S N 0.823 116.670 115.700 0.246 0.000 2.489 282 S HA 0.418 4.888 4.470 0.000 0.000 0.291 282 S C 0.342 175.070 174.600 0.212 0.000 1.151 282 S CA -1.024 57.211 58.200 0.057 0.000 1.082 282 S CB 0.780 63.845 63.200 -0.226 0.000 1.019 282 S HN 0.532 nan 8.310 nan 0.000 0.492 283 Y N 2.562 122.834 120.300 -0.046 0.000 2.471 283 Y HA 0.440 4.990 4.550 0.000 0.000 0.286 283 Y C 0.770 176.769 175.900 0.166 0.000 1.188 283 Y CA -0.664 57.149 58.100 -0.479 0.000 1.286 283 Y CB -0.766 37.096 38.460 -0.996 0.000 1.072 283 Y HN 0.441 nan 8.280 nan 0.000 0.517 284 S N 3.019 118.781 115.700 0.104 0.000 2.480 284 S HA 0.352 4.823 4.470 0.000 0.000 0.286 284 S C -2.024 172.320 174.600 -0.427 0.000 1.180 284 S CA -1.777 56.422 58.200 -0.003 0.000 1.075 284 S CB 1.108 64.248 63.200 -0.100 0.000 0.996 284 S HN 0.153 nan 8.310 nan 0.000 0.487 285 P HA 0.217 nan 4.420 nan 0.000 0.256 285 P C 0.231 177.248 177.300 -0.472 0.000 1.384 285 P CA 0.122 62.554 63.100 -1.113 0.000 0.879 285 P CB -0.707 30.560 31.700 -0.722 0.000 1.403 286 I N -4.502 115.861 120.570 -0.345 0.000 3.376 286 I HA 0.427 4.597 4.170 0.000 0.000 0.326 286 I C -0.382 175.627 176.117 -0.179 0.000 1.538 286 I CA -0.644 60.542 61.300 -0.191 0.000 0.989 286 I CB -0.083 37.781 38.000 -0.228 0.000 1.413 286 I HN -0.277 nan 8.210 nan 0.000 0.547 287 N N 3.128 121.674 118.700 -0.256 0.000 2.485 287 N HA 0.388 5.128 4.740 0.000 0.000 0.243 287 N C -1.855 173.398 175.510 -0.429 0.000 0.987 287 N CA -2.213 50.622 53.050 -0.358 0.000 0.940 287 N CB 1.867 40.113 38.487 -0.402 0.000 1.122 287 N HN -0.062 nan 8.380 nan 0.000 0.509 288 P HA -0.168 nan 4.420 nan 0.000 0.221 288 P C 1.464 178.474 177.300 -0.483 0.000 1.141 288 P CA 0.560 63.404 63.100 -0.428 0.000 0.794 288 P CB 0.471 31.943 31.700 -0.379 0.000 0.764 289 V N -0.163 119.483 119.914 -0.447 0.000 2.568 289 V HA -0.272 3.848 4.120 0.000 0.000 0.253 289 V C 2.074 177.924 176.094 -0.408 0.000 1.072 289 V CA 1.971 64.016 62.300 -0.425 0.000 1.084 289 V CB -1.078 30.537 31.823 -0.347 0.000 0.676 289 V HN 0.251 nan 8.190 nan 0.000 0.469 290 H N -0.271 118.638 119.070 -0.268 0.000 2.491 290 H HA -0.049 4.507 4.556 0.000 0.000 0.290 290 H C 1.660 176.840 175.328 -0.245 0.000 1.050 290 H CA 1.479 57.410 56.048 -0.194 0.000 1.309 290 H CB -0.166 29.492 29.762 -0.173 0.000 1.392 290 H HN 0.553 nan 8.280 nan 0.000 0.554 291 D N 0.988 121.190 120.400 -0.330 0.000 2.340 291 D HA -0.013 4.627 4.640 0.000 0.000 0.220 291 D C 1.107 177.045 176.300 -0.602 0.000 1.039 291 D CA 0.275 54.007 54.000 -0.446 0.000 0.866 291 D CB 0.323 40.733 40.800 -0.652 0.000 0.913 291 D HN 0.406 nan 8.370 nan 0.000 0.523 292 T N -3.284 110.944 114.554 -0.543 0.000 2.936 292 T HA 0.584 4.934 4.350 0.000 0.000 0.282 292 T C 1.343 175.964 174.700 -0.133 0.000 1.003 292 T CA -0.487 61.328 62.100 -0.474 0.000 1.005 292 T CB 2.225 70.759 68.868 -0.556 0.000 1.097 292 T HN -0.142 nan 8.240 nan 0.000 0.532 293 A N 0.553 123.365 122.820 -0.015 0.000 2.014 293 A HA 0.114 4.434 4.320 0.000 0.000 0.218 293 A C 2.155 179.786 177.584 0.079 0.000 1.163 293 A CA 1.098 53.178 52.037 0.072 0.000 0.652 293 A CB -1.036 18.033 19.000 0.115 0.000 0.808 293 A HN 0.912 nan 8.150 nan 0.000 0.449 294 L N 0.066 121.316 121.223 0.045 0.000 2.042 294 L HA -0.228 4.112 4.340 0.000 0.000 0.210 294 L C 2.277 179.213 176.870 0.110 0.000 1.076 294 L CA 2.093 56.982 54.840 0.082 0.000 0.749 294 L CB -0.395 41.690 42.059 0.043 0.000 0.893 294 L HN 0.530 nan 8.230 nan 0.000 0.432 295 N N -0.401 118.326 118.700 0.045 0.000 2.142 295 N HA -0.196 4.545 4.740 0.000 0.000 0.186 295 N C 1.820 177.417 175.510 0.145 0.000 1.023 295 N CA 1.284 54.382 53.050 0.080 0.000 0.852 295 N CB 0.011 38.525 38.487 0.046 0.000 0.998 295 N HN 0.517 nan 8.380 nan 0.000 0.424 296 A N 0.992 123.877 122.820 0.109 0.000 1.883 296 A HA -0.055 4.265 4.320 0.000 0.000 0.217 296 A C 2.344 179.989 177.584 0.101 0.000 1.186 296 A CA 1.974 54.071 52.037 0.099 0.000 0.624 296 A CB -0.846 18.217 19.000 0.106 0.000 0.822 296 A HN 0.440 nan 8.150 nan 0.000 0.444 297 A N -2.059 120.847 122.820 0.143 0.000 1.929 297 A HA -0.035 4.285 4.320 0.000 0.000 0.216 297 A C 2.120 179.747 177.584 0.072 0.000 1.176 297 A CA 1.420 53.547 52.037 0.149 0.000 0.628 297 A CB -0.736 18.391 19.000 0.213 0.000 0.816 297 A HN 0.668 nan 8.150 nan 0.000 0.444 298 Y N 0.334 120.643 120.300 0.016 0.000 2.114 298 Y HA -0.210 4.340 4.550 0.000 0.000 0.284 298 Y C 2.153 178.018 175.900 -0.059 0.000 1.143 298 Y CA 1.776 59.878 58.100 0.003 0.000 1.135 298 Y CB 0.001 38.496 38.460 0.058 0.000 0.980 298 Y HN 0.224 nan 8.280 nan 0.000 0.499 299 I N 0.177 120.906 120.570 0.266 0.000 2.315 299 I HA -0.279 3.891 4.170 0.000 0.000 0.248 299 I C 2.662 178.661 176.117 -0.197 0.000 1.117 299 I CA 1.389 62.791 61.300 0.170 0.000 1.404 299 I CB -1.865 36.271 38.000 0.227 0.000 1.071 299 I HN 0.356 nan 8.210 nan 0.000 0.419 300 A N 1.151 123.755 122.820 -0.360 0.000 1.927 300 A HA -0.306 4.014 4.320 0.000 0.000 0.220 300 A C 2.450 179.368 177.584 -1.110 0.000 1.185 300 A CA 2.384 54.011 52.037 -0.683 0.000 0.639 300 A CB -0.717 17.961 19.000 -0.537 0.000 0.820 300 A HN 0.369 nan 8.150 nan 0.000 0.451 301 R N -0.090 119.768 120.500 -1.069 0.000 2.096 301 R HA -0.061 4.279 4.340 0.000 0.000 0.235 301 R C 1.706 177.777 176.300 -0.381 0.000 1.127 301 R CA 1.859 57.547 56.100 -0.687 0.000 0.968 301 R CB -0.636 29.487 30.300 -0.295 0.000 0.861 301 R HN 0.558 nan 8.270 nan 0.000 0.440 302 I N 0.050 120.426 120.570 -0.324 0.000 2.233 302 I HA -0.236 3.934 4.170 0.000 0.000 0.243 302 I C 2.022 178.054 176.117 -0.142 0.000 1.093 302 I CA 1.002 62.161 61.300 -0.235 0.000 1.380 302 I CB -0.230 37.688 38.000 -0.136 0.000 1.067 302 I HN 0.147 nan 8.210 nan 0.000 0.413 303 L N -0.209 120.864 121.223 -0.249 0.000 2.042 303 L HA -0.263 4.077 4.340 0.000 0.000 0.210 303 L C 2.731 179.511 176.870 -0.149 0.000 1.076 303 L CA 1.624 56.252 54.840 -0.353 0.000 0.749 303 L CB -0.746 40.385 42.059 -1.547 0.000 0.893 303 L HN 0.297 nan 8.230 nan 0.000 0.432 304 S N -0.557 115.034 115.700 -0.182 0.000 2.383 304 S HA -0.202 4.268 4.470 0.000 0.000 0.229 304 S C 1.698 176.430 174.600 0.220 0.000 1.030 304 S CA 1.813 60.116 58.200 0.171 0.000 1.002 304 S CB 0.054 63.334 63.200 0.132 0.000 0.829 304 S HN 0.518 nan 8.310 nan 0.000 0.467 305 E N -1.346 118.907 120.200 0.089 0.000 2.474 305 E HA 0.208 4.558 4.350 0.000 0.000 0.215 305 E C 2.000 178.565 176.600 -0.058 0.000 0.867 305 E CA 0.347 56.771 56.400 0.040 0.000 1.135 305 E CB -0.149 29.573 29.700 0.035 0.000 1.147 305 E HN 0.510 nan 8.360 nan 0.000 0.534 306 G N 1.236 109.939 108.800 -0.161 0.000 2.469 306 G HA2 -0.275 3.685 3.960 0.000 0.000 0.220 306 G HA3 -0.275 3.685 3.960 0.000 0.000 0.220 306 G C 1.494 176.251 174.900 -0.238 0.000 1.136 306 G CA 0.953 45.811 45.100 -0.403 0.000 0.759 306 G HN 0.357 nan 8.290 nan 0.000 0.562 307 G N 0.567 109.357 108.800 -0.016 0.000 2.498 307 G HA2 -0.097 3.863 3.960 0.000 0.000 0.219 307 G HA3 -0.097 3.863 3.960 0.000 0.000 0.219 307 G C 1.293 176.143 174.900 -0.083 0.000 1.119 307 G CA 1.053 46.225 45.100 0.121 0.000 0.766 307 G HN 0.346 nan 8.290 nan 0.000 0.552 308 D N -0.385 119.833 120.400 -0.304 0.000 2.263 308 D HA -0.059 4.581 4.640 0.000 0.000 0.208 308 D C 1.408 177.352 176.300 -0.593 0.000 0.971 308 D CA 0.885 54.558 54.000 -0.545 0.000 0.867 308 D CB -0.093 40.153 40.800 -0.923 0.000 0.929 308 D HN 0.620 nan 8.370 nan 0.000 0.492 309 Y N -0.703 119.611 120.300 0.023 0.000 2.535 309 Y HA 0.164 4.715 4.550 0.000 0.000 0.264 309 Y C 0.890 176.768 175.900 -0.037 0.000 1.087 309 Y CA -0.486 57.623 58.100 0.015 0.000 1.285 309 Y CB 0.863 39.371 38.460 0.080 0.000 1.200 309 Y HN -0.217 nan 8.280 nan 0.000 0.514 310 V N -3.402 116.534 119.914 0.037 0.000 3.040 310 V HA 0.409 4.529 4.120 0.000 0.000 0.312 310 V C -0.091 175.956 176.094 -0.078 0.000 1.115 310 V CA -0.914 61.340 62.300 -0.077 0.000 0.998 310 V CB 2.284 33.971 31.823 -0.227 0.000 1.042 310 V HN 0.032 nan 8.190 nan 0.000 0.433 311 D N 1.432 121.706 120.400 -0.209 0.000 2.234 311 D HA 0.075 4.715 4.640 0.000 0.000 0.205 311 D C 0.871 177.024 176.300 -0.245 0.000 0.962 311 D CA 1.756 55.580 54.000 -0.294 0.000 0.855 311 D CB 0.756 41.243 40.800 -0.520 0.000 0.951 311 D HN 0.886 nan 8.370 nan 0.000 0.500 312 S N -0.138 115.536 115.700 -0.042 0.000 2.567 312 S HA 0.549 5.019 4.470 0.000 0.000 0.270 312 S C -1.563 173.249 174.600 0.353 0.000 1.152 312 S CA -1.056 57.265 58.200 0.201 0.000 0.835 312 S CB 1.357 64.749 63.200 0.320 0.000 1.115 312 S HN 0.056 nan 8.310 nan 0.000 0.459 313 F N -0.697 119.349 119.950 0.160 0.000 2.653 313 F HA 0.789 5.316 4.527 0.000 0.000 0.327 313 F C -0.554 175.510 175.800 0.440 0.000 1.195 313 F CA -0.981 57.114 58.000 0.158 0.000 0.993 313 F CB 1.360 40.325 39.000 -0.060 0.000 1.259 313 F HN 0.601 nan 8.300 nan 0.000 0.478 314 S N 3.916 119.849 115.700 0.388 0.000 2.448 314 S HA 0.348 4.818 4.470 0.000 0.000 0.320 314 S C -1.007 173.623 174.600 0.050 0.000 1.071 314 S CA -0.388 57.900 58.200 0.147 0.000 1.113 314 S CB 0.031 63.208 63.200 -0.040 0.000 0.972 314 S HN 0.637 nan 8.310 nan 0.000 0.465 315 Y N 5.604 125.783 120.300 -0.202 0.000 2.721 315 Y HA 0.106 4.656 4.550 0.000 0.000 0.329 315 Y C -0.052 175.630 175.900 -0.364 0.000 1.211 315 Y CA 0.163 57.944 58.100 -0.531 0.000 1.512 315 Y CB 0.336 38.597 38.460 -0.332 0.000 1.249 315 Y HN 0.729 nan 8.280 nan 0.000 0.549 316 W N 9.714 130.328 121.300 -1.143 0.000 2.295 316 W HA 0.370 5.030 4.660 0.000 0.000 0.333 316 W C -1.089 174.782 176.519 -1.081 0.000 0.990 316 W CA -0.240 56.544 57.345 -0.935 0.000 1.453 316 W CB 0.819 29.746 29.460 -0.888 0.000 1.263 316 W HN 0.744 nan 8.180 nan 0.000 0.380 317 T N 1.283 115.361 114.554 -0.793 0.000 2.812 317 T HA 0.288 4.638 4.350 0.000 0.000 0.294 317 T C 0.568 175.106 174.700 -0.271 0.000 1.159 317 T CA -0.693 61.023 62.100 -0.641 0.000 1.008 317 T CB 1.098 69.420 68.868 -0.909 0.000 1.289 317 T HN 0.316 nan 8.240 nan 0.000 0.514 318 F N 0.380 120.109 119.950 -0.370 0.000 2.333 318 F HA 0.320 4.847 4.527 0.000 0.000 0.300 318 F C 0.641 176.325 175.800 -0.193 0.000 1.083 318 F CA 0.632 58.462 58.000 -0.282 0.000 1.395 318 F CB -0.252 38.545 39.000 -0.338 0.000 1.056 318 F HN 0.805 nan 8.300 nan 0.000 0.529 319 S N -0.870 114.232 115.700 -0.995 0.000 2.547 319 S HA 0.265 4.735 4.470 0.000 0.000 0.270 319 S C -0.324 173.996 174.600 -0.467 0.000 1.150 319 S CA -0.724 57.006 58.200 -0.782 0.000 0.850 319 S CB 1.156 63.683 63.200 -1.121 0.000 1.118 319 S HN 0.077 nan 8.310 nan 0.000 0.461 320 D N 1.280 121.534 120.400 -0.244 0.000 2.378 320 D HA 0.088 4.728 4.640 0.000 0.000 0.227 320 D C 0.442 176.732 176.300 -0.017 0.000 1.012 320 D CA 0.545 54.480 54.000 -0.108 0.000 0.905 320 D CB -0.098 40.682 40.800 -0.033 0.000 0.895 320 D HN 0.377 nan 8.370 nan 0.000 0.532 321 V N 1.982 121.841 119.914 -0.092 0.000 2.400 321 V HA 0.080 4.200 4.120 0.000 0.000 0.263 321 V C -0.247 175.907 176.094 0.101 0.000 1.026 321 V CA 0.336 62.610 62.300 -0.044 0.000 1.077 321 V CB -0.920 30.848 31.823 -0.092 0.000 1.054 321 V HN -0.047 nan 8.190 nan 0.000 0.477 322 F N 3.042 122.931 119.950 -0.103 0.000 2.688 322 F HA 0.425 4.952 4.527 0.000 0.000 0.308 322 F C 0.327 176.104 175.800 -0.037 0.000 1.117 322 F CA -0.564 57.395 58.000 -0.069 0.000 0.976 322 F CB 2.197 41.154 39.000 -0.072 0.000 1.291 322 F HN 0.417 nan 8.300 nan 0.000 0.439 323 E N 2.259 122.356 120.200 -0.171 0.000 2.862 323 E HA 0.061 4.411 4.350 0.000 0.000 0.204 323 E C 0.495 177.179 176.600 0.140 0.000 0.966 323 E CA 0.049 56.459 56.400 0.018 0.000 1.257 323 E CB 0.742 30.531 29.700 0.149 0.000 1.053 323 E HN 0.713 nan 8.360 nan 0.000 0.487 324 E N 0.910 121.067 120.200 -0.071 0.000 2.085 324 E HA -0.074 4.276 4.350 0.000 0.000 0.194 324 E C 1.096 177.757 176.600 0.101 0.000 0.994 324 E CA 0.966 57.279 56.400 -0.145 0.000 0.801 324 E CB 0.151 29.608 29.700 -0.405 0.000 0.743 324 E HN 0.191 nan 8.360 nan 0.000 0.453 325 M N 1.466 121.121 119.600 0.092 0.000 2.866 325 M HA 0.159 4.639 4.480 0.000 0.000 0.319 325 M C -0.570 175.651 176.300 -0.131 0.000 1.244 325 M CA 0.042 55.355 55.300 0.022 0.000 0.974 325 M CB -0.145 32.440 32.600 -0.025 0.000 1.291 325 M HN -0.049 nan 8.290 nan 0.000 0.513 326 D N 0.106 120.316 120.400 -0.317 0.000 10.605 326 D HA -0.143 4.497 4.640 0.000 0.000 0.353 326 D C -0.782 175.254 176.300 -0.440 0.000 3.115 326 D CA 0.233 53.760 54.000 -0.788 0.000 2.585 326 D CB 0.575 41.041 40.800 -0.556 0.000 1.232 326 D HN 0.079 nan 8.370 nan 0.000 0.955 327 V N 2.123 121.785 119.914 -0.420 0.000 2.694 327 V HA 0.147 4.267 4.120 0.000 0.000 0.306 327 V C -1.452 174.503 176.094 -0.231 0.000 1.054 327 V CA -0.410 61.752 62.300 -0.229 0.000 1.161 327 V CB 0.165 31.900 31.823 -0.147 0.000 0.916 327 V HN 0.409 nan 8.190 nan 0.000 0.490 328 P HA 0.059 nan 4.420 nan 0.000 0.262 328 P C 0.335 177.490 177.300 -0.242 0.000 1.182 328 P CA 0.256 63.029 63.100 -0.545 0.000 0.761 328 P CB 0.296 31.416 31.700 -0.966 0.000 0.795 329 K N 1.410 121.706 120.400 -0.174 0.000 2.404 329 K HA 0.399 4.719 4.320 0.000 0.000 0.194 329 K C 0.511 177.094 176.600 -0.029 0.000 1.023 329 K CA 0.135 56.427 56.287 0.008 0.000 1.094 329 K CB 0.454 32.956 32.500 0.003 0.000 0.841 329 K HN 0.515 nan 8.250 nan 0.000 0.523 330 A N 0.235 123.026 122.820 -0.050 0.000 2.601 330 A HA 0.214 4.534 4.320 0.000 0.000 0.291 330 A C 0.282 177.861 177.584 -0.007 0.000 1.075 330 A CA -0.738 51.275 52.037 -0.040 0.000 0.671 330 A CB 0.425 19.522 19.000 0.162 0.000 1.277 330 A HN 0.027 nan 8.150 nan 0.000 0.417 331 L N -0.268 120.889 121.223 -0.110 0.000 1.978 331 L HA -0.065 4.275 4.340 0.000 0.000 0.218 331 L C 0.059 176.528 176.870 -0.668 0.000 1.075 331 L CA 1.973 56.580 54.840 -0.389 0.000 0.767 331 L CB -0.304 41.418 42.059 -0.560 0.000 0.890 331 L HN 0.679 nan 8.230 nan 0.000 0.434 332 F N -0.132 119.386 119.950 -0.720 0.000 2.361 332 F HA 0.218 4.745 4.527 0.000 0.000 0.364 332 F C 0.977 176.601 175.800 -0.294 0.000 1.117 332 F CA -0.581 57.039 58.000 -0.634 0.000 1.071 332 F CB 0.777 39.285 39.000 -0.820 0.000 1.188 332 F HN 0.169 nan 8.300 nan 0.000 0.464 333 H N 1.150 120.216 119.070 -0.008 0.000 3.007 333 H HA 0.326 4.882 4.556 0.000 0.000 0.251 333 H C 1.084 176.450 175.328 0.062 0.000 1.188 333 H CA 0.038 56.139 56.048 0.088 0.000 1.017 333 H CB 0.572 30.310 29.762 -0.039 0.000 1.805 333 H HN 0.804 nan 8.280 nan 0.000 0.659 334 G N 0.976 109.638 108.800 -0.231 0.000 2.137 334 G HA2 -0.246 3.714 3.960 0.000 0.000 0.237 334 G HA3 -0.246 3.714 3.960 0.000 0.000 0.237 334 G C 0.629 175.365 174.900 -0.273 0.000 1.002 334 G CA 0.104 45.064 45.100 -0.234 0.000 0.702 334 G HN 0.858 nan 8.290 nan 0.000 0.515 335 G N -1.330 107.121 108.800 -0.582 0.000 2.572 335 G HA2 0.503 4.463 3.960 0.000 0.000 0.261 335 G HA3 0.503 4.463 3.960 0.000 0.000 0.261 335 G C 0.715 175.304 174.900 -0.517 0.000 1.197 335 G CA -0.426 44.350 45.100 -0.540 0.000 0.870 335 G HN 0.212 nan 8.290 nan 0.000 0.548 336 F N 0.593 120.168 119.950 -0.625 0.000 2.661 336 F HA 0.138 4.665 4.527 0.000 0.000 0.298 336 F C 2.228 177.691 175.800 -0.561 0.000 1.137 336 F CA 0.164 57.648 58.000 -0.861 0.000 1.454 336 F CB 0.193 38.606 39.000 -0.978 0.000 1.103 336 F HN 0.482 nan 8.300 nan 0.000 0.577 337 G N 0.332 108.969 108.800 -0.272 0.000 2.483 337 G HA2 0.218 4.178 3.960 0.000 0.000 0.248 337 G HA3 0.218 4.178 3.960 0.000 0.000 0.248 337 G C 0.861 175.704 174.900 -0.094 0.000 1.248 337 G CA -0.528 44.434 45.100 -0.231 0.000 0.838 337 G HN 0.193 nan 8.290 nan 0.000 0.566 338 L N 1.050 122.240 121.223 -0.056 0.000 2.141 338 L HA -0.010 4.330 4.340 0.000 0.000 0.209 338 L C 0.580 177.403 176.870 -0.078 0.000 1.094 338 L CA 0.738 55.554 54.840 -0.039 0.000 0.763 338 L CB -0.327 41.712 42.059 -0.032 0.000 0.908 338 L HN 0.183 nan 8.230 nan 0.000 0.437 339 V N -0.311 119.479 119.914 -0.207 0.000 2.487 339 V HA 0.582 4.702 4.120 0.000 0.000 0.298 339 V C 0.221 176.060 176.094 -0.424 0.000 1.028 339 V CA -0.872 61.192 62.300 -0.394 0.000 0.860 339 V CB 1.468 32.962 31.823 -0.549 0.000 0.991 339 V HN 0.131 nan 8.190 nan 0.000 0.427 340 A N 4.646 127.229 122.820 -0.394 0.000 2.271 340 A HA 0.785 5.105 4.320 0.000 0.000 0.288 340 A C 0.014 177.400 177.584 -0.331 0.000 1.094 340 A CA -0.629 51.200 52.037 -0.348 0.000 0.828 340 A CB 0.326 19.066 19.000 -0.435 0.000 1.091 340 A HN 0.843 nan 8.150 nan 0.000 0.493 341 L N 0.291 121.405 121.223 -0.182 0.000 2.536 341 L HA 0.014 4.354 4.340 0.000 0.000 0.294 341 L C 0.694 177.446 176.870 -0.196 0.000 1.257 341 L CA 0.852 55.607 54.840 -0.142 0.000 0.850 341 L CB -0.317 41.591 42.059 -0.253 0.000 1.105 341 L HN 1.052 nan 8.230 nan 0.000 0.517 342 H N 0.205 119.308 119.070 0.055 0.000 2.958 342 H HA -0.187 4.369 4.556 0.000 0.000 0.274 342 H C 0.800 176.095 175.328 -0.054 0.000 1.184 342 H CA 0.466 56.522 56.048 0.013 0.000 1.143 342 H CB -1.686 28.061 29.762 -0.024 0.000 1.297 342 H HN 0.716 nan 8.280 nan 0.000 0.356 343 S N -1.574 114.052 115.700 -0.124 0.000 3.698 343 S HA -0.211 4.259 4.470 0.000 0.000 0.338 343 S C 0.379 174.818 174.600 -0.269 0.000 1.089 343 S CA 0.832 58.846 58.200 -0.310 0.000 0.991 343 S CB -1.294 61.858 63.200 -0.080 0.000 0.909 343 S HN 0.542 nan 8.310 nan 0.000 0.485 344 I N 2.862 123.281 120.570 -0.252 0.000 2.301 344 I HA 0.249 4.419 4.170 0.000 0.000 0.292 344 I C -1.834 174.124 176.117 -0.265 0.000 1.046 344 I CA -2.219 58.980 61.300 -0.168 0.000 1.282 344 I CB 0.805 38.768 38.000 -0.061 0.000 1.409 344 I HN -0.055 nan 8.210 nan 0.000 0.484 345 P HA 0.113 nan 4.420 nan 0.000 0.271 345 P C -0.819 176.367 177.300 -0.191 0.000 1.216 345 P CA -0.224 62.551 63.100 -0.543 0.000 0.771 345 P CB 0.612 31.778 31.700 -0.891 0.000 0.864 346 K N 4.309 124.637 120.400 -0.121 0.000 2.107 346 K HA 0.203 4.523 4.320 0.000 0.000 0.251 346 K C -1.634 174.958 176.600 -0.013 0.000 1.012 346 K CA -1.679 54.613 56.287 0.008 0.000 0.920 346 K CB -0.317 32.196 32.500 0.021 0.000 1.033 346 K HN 0.178 nan 8.250 nan 0.000 0.478 347 P HA -0.177 nan 4.420 nan 0.000 0.217 347 P C 0.748 178.092 177.300 0.074 0.000 1.148 347 P CA 1.447 64.639 63.100 0.154 0.000 0.828 347 P CB 0.143 31.922 31.700 0.132 0.000 0.783 348 T N -1.441 113.135 114.554 0.036 0.000 2.904 348 T HA -0.119 4.231 4.350 0.000 0.000 0.267 348 T C 1.383 176.107 174.700 0.041 0.000 1.059 348 T CA 0.647 62.765 62.100 0.030 0.000 1.137 348 T CB -1.007 67.863 68.868 0.004 0.000 0.879 348 T HN 0.058 nan 8.240 nan 0.000 0.467 349 F N 2.125 121.960 119.950 -0.191 0.000 2.087 349 F HA -0.288 4.239 4.527 0.000 0.000 0.299 349 F C 2.202 177.864 175.800 -0.230 0.000 1.100 349 F CA 1.832 59.681 58.000 -0.250 0.000 1.226 349 F CB -0.458 38.302 39.000 -0.400 0.000 0.983 349 F HN 0.342 nan 8.300 nan 0.000 0.479 350 H N -0.560 118.507 119.070 -0.005 0.000 2.389 350 H HA 0.009 4.565 4.556 0.000 0.000 0.299 350 H C 2.396 177.304 175.328 -0.700 0.000 1.081 350 H CA 0.837 56.623 56.048 -0.436 0.000 1.345 350 H CB -0.547 28.918 29.762 -0.495 0.000 1.393 350 H HN 0.378 nan 8.280 nan 0.000 0.520 351 A N 0.973 123.656 122.820 -0.228 0.000 1.903 351 A HA -0.238 4.082 4.320 0.000 0.000 0.219 351 A C 1.910 179.487 177.584 -0.011 0.000 1.191 351 A CA 1.811 53.806 52.037 -0.071 0.000 0.638 351 A CB -1.012 17.959 19.000 -0.048 0.000 0.823 351 A HN 0.348 nan 8.150 nan 0.000 0.451 352 F N 0.601 120.467 119.950 -0.140 0.000 2.146 352 F HA -0.144 4.384 4.527 0.000 0.000 0.298 352 F C 3.015 178.813 175.800 -0.004 0.000 1.096 352 F CA 1.942 59.923 58.000 -0.031 0.000 1.275 352 F CB -0.681 38.268 39.000 -0.085 0.000 1.008 352 F HN 0.404 nan 8.300 nan 0.000 0.480 353 T N -2.011 112.517 114.554 -0.043 0.000 2.867 353 T HA -0.202 4.148 4.350 0.000 0.000 0.268 353 T C 2.030 176.879 174.700 0.249 0.000 1.057 353 T CA 1.135 63.248 62.100 0.021 0.000 1.136 353 T CB -1.148 67.686 68.868 -0.056 0.000 0.874 353 T HN 0.311 nan 8.240 nan 0.000 0.466 354 F N 0.200 120.202 119.950 0.085 0.000 2.102 354 F HA 0.051 4.578 4.527 0.000 0.000 0.298 354 F C 2.160 177.893 175.800 -0.111 0.000 1.105 354 F CA 0.627 58.629 58.000 0.003 0.000 1.239 354 F CB -0.418 38.582 39.000 0.000 0.000 0.991 354 F HN 0.109 nan 8.300 nan 0.000 0.474 355 F N 0.523 120.417 119.950 -0.094 0.000 2.293 355 F HA -0.192 4.335 4.527 0.000 0.000 0.300 355 F C 2.063 177.750 175.800 -0.188 0.000 1.086 355 F CA 1.115 58.849 58.000 -0.443 0.000 1.375 355 F CB -0.870 37.398 39.000 -1.220 0.000 1.045 355 F HN -0.071 nan 8.300 nan 0.000 0.516 356 N N 0.453 119.332 118.700 0.300 0.000 2.381 356 N HA -0.102 4.638 4.740 0.000 0.000 0.182 356 N C 1.640 177.314 175.510 0.273 0.000 1.025 356 N CA 0.998 54.336 53.050 0.481 0.000 0.888 356 N CB -0.187 38.540 38.487 0.399 0.000 0.965 356 N HN 0.166 nan 8.380 nan 0.000 0.438 357 A N -0.195 122.727 122.820 0.170 0.000 2.238 357 A HA 0.170 4.490 4.320 0.000 0.000 0.208 357 A C 0.681 178.306 177.584 0.069 0.000 1.177 357 A CA -0.073 52.026 52.037 0.103 0.000 0.804 357 A CB -0.242 18.791 19.000 0.057 0.000 0.823 357 A HN 0.234 nan 8.150 nan 0.000 0.482 358 L N -0.209 121.062 121.223 0.080 0.000 2.436 358 L HA 0.421 4.761 4.340 0.000 0.000 0.265 358 L C 1.150 178.114 176.870 0.157 0.000 1.168 358 L CA -0.410 54.461 54.840 0.052 0.000 0.815 358 L CB 0.827 42.877 42.059 -0.014 0.000 1.109 358 L HN 0.310 nan 8.230 nan 0.000 0.462 359 G N 0.050 108.924 108.800 0.123 0.000 2.522 359 G HA2 0.130 4.090 3.960 0.000 0.000 0.304 359 G HA3 0.130 4.090 3.960 0.000 0.000 0.304 359 G C 0.194 175.218 174.900 0.207 0.000 1.210 359 G CA -0.373 44.814 45.100 0.145 0.000 0.960 359 G HN 0.666 nan 8.290 nan 0.000 0.497 360 D N -0.873 119.631 120.400 0.173 0.000 2.183 360 D HA -0.059 4.581 4.640 0.000 0.000 0.203 360 D C 0.988 177.394 176.300 0.177 0.000 0.969 360 D CA 0.889 54.998 54.000 0.181 0.000 0.842 360 D CB 0.313 41.187 40.800 0.125 0.000 0.957 360 D HN 0.585 nan 8.370 nan 0.000 0.484 361 E N 1.315 121.594 120.200 0.131 0.000 2.130 361 E HA 0.117 4.467 4.350 0.000 0.000 0.284 361 E C -0.598 176.059 176.600 0.096 0.000 1.018 361 E CA -0.480 55.983 56.400 0.104 0.000 0.817 361 E CB 0.768 30.512 29.700 0.072 0.000 1.078 361 E HN -0.053 nan 8.360 nan 0.000 0.396 362 L N 7.074 128.359 121.223 0.104 0.000 2.290 362 L HA 0.166 4.506 4.340 0.000 0.000 0.284 362 L C 0.204 177.107 176.870 0.055 0.000 1.078 362 L CA 0.051 54.940 54.840 0.082 0.000 0.815 362 L CB 0.989 43.115 42.059 0.112 0.000 1.162 362 L HN 0.931 nan 8.230 nan 0.000 0.435 363 L N 6.208 127.458 121.223 0.045 0.000 2.388 363 L HA 0.162 4.502 4.340 0.000 0.000 0.209 363 L C -0.572 176.379 176.870 0.135 0.000 1.061 363 L CA 0.129 55.006 54.840 0.063 0.000 0.834 363 L CB 0.297 42.377 42.059 0.036 0.000 1.029 363 L HN 0.576 nan 8.230 nan 0.000 0.473 364 Y N 0.011 120.281 120.300 -0.049 0.000 2.521 364 Y HA 0.481 5.031 4.550 0.000 0.000 0.326 364 Y C -1.192 174.668 175.900 -0.066 0.000 1.176 364 Y CA -1.272 56.795 58.100 -0.055 0.000 1.079 364 Y CB 1.163 39.580 38.460 -0.070 0.000 1.341 364 Y HN -0.083 nan 8.280 nan 0.000 0.456 365 R N 4.378 124.392 120.500 -0.811 0.000 2.548 365 R HA 0.509 4.849 4.340 0.000 0.000 0.280 365 R C -1.994 173.841 176.300 -0.774 0.000 1.061 365 R CA -0.411 55.329 56.100 -0.600 0.000 0.915 365 R CB 1.437 31.595 30.300 -0.237 0.000 1.210 365 R HN 0.871 nan 8.270 nan 0.000 0.442 366 D N 2.046 122.117 120.400 -0.548 0.000 2.781 366 D HA 0.252 4.892 4.640 0.000 0.000 0.295 366 D C 0.808 177.031 176.300 -0.128 0.000 1.143 366 D CA -0.411 53.404 54.000 -0.308 0.000 1.076 366 D CB 0.241 40.900 40.800 -0.235 0.000 1.444 366 D HN 0.451 nan 8.370 nan 0.000 0.567 367 G N -1.283 107.478 108.800 -0.063 0.000 2.625 367 G HA2 -0.088 3.872 3.960 0.000 0.000 0.214 367 G HA3 -0.088 3.872 3.960 0.000 0.000 0.214 367 G C 0.694 175.591 174.900 -0.005 0.000 1.132 367 G CA 0.468 45.596 45.100 0.047 0.000 0.782 367 G HN 0.516 nan 8.290 nan 0.000 0.538 368 E N -1.133 118.804 120.200 -0.439 0.000 2.641 368 E HA 0.313 4.663 4.350 0.000 0.000 0.224 368 E C 0.442 176.027 176.600 -1.691 0.000 0.951 368 E CA -0.201 55.513 56.400 -1.143 0.000 1.102 368 E CB 0.574 29.916 29.700 -0.596 0.000 1.091 368 E HN 0.545 nan 8.360 nan 0.000 0.507 369 M N -0.690 118.209 119.600 -1.168 0.000 2.643 369 M HA 0.491 4.971 4.480 0.000 0.000 0.276 369 M C -2.139 173.984 176.300 -0.295 0.000 1.200 369 M CA -0.897 53.929 55.300 -0.790 0.000 0.863 369 M CB 2.122 34.496 32.600 -0.376 0.000 1.711 369 M HN -0.023 nan 8.290 nan 0.000 0.492 370 I N 2.333 122.819 120.570 -0.140 0.000 2.619 370 I HA 0.768 4.938 4.170 0.000 0.000 0.292 370 I C -1.922 174.103 176.117 -0.153 0.000 1.100 370 I CA -0.806 60.415 61.300 -0.132 0.000 1.043 370 I CB 2.237 40.131 38.000 -0.178 0.000 1.239 370 I HN 0.669 nan 8.210 nan 0.000 0.420 371 V N 5.448 125.309 119.914 -0.088 0.000 2.638 371 V HA 0.674 4.794 4.120 0.000 0.000 0.306 371 V C -0.173 175.887 176.094 -0.055 0.000 1.052 371 V CA -0.362 61.901 62.300 -0.061 0.000 0.885 371 V CB 1.942 33.773 31.823 0.013 0.000 0.999 371 V HN 0.845 nan 8.190 nan 0.000 0.424 372 T N 1.688 116.204 114.554 -0.064 0.000 2.901 372 T HA 0.838 5.188 4.350 0.000 0.000 0.293 372 T C -0.766 173.933 174.700 -0.002 0.000 1.084 372 T CA -1.003 61.083 62.100 -0.022 0.000 1.008 372 T CB 2.504 71.360 68.868 -0.019 0.000 1.170 372 T HN 0.697 nan 8.240 nan 0.000 0.509 373 R N 0.280 120.796 120.500 0.026 0.000 2.599 373 R HA 0.696 5.036 4.340 0.000 0.000 0.295 373 R C -0.651 175.682 176.300 0.056 0.000 0.963 373 R CA -0.682 55.437 56.100 0.033 0.000 0.883 373 R CB 1.229 31.543 30.300 0.024 0.000 1.171 373 R HN 0.718 nan 8.270 nan 0.000 0.450 374 R N 2.295 122.833 120.500 0.063 0.000 2.549 374 R HA 0.295 4.635 4.340 0.000 0.000 0.267 374 R C 0.686 177.029 176.300 0.071 0.000 1.045 374 R CA -0.650 55.493 56.100 0.072 0.000 1.115 374 R CB 0.701 31.044 30.300 0.071 0.000 1.121 374 R HN 0.611 nan 8.270 nan 0.000 0.543 375 K N 0.881 121.321 120.400 0.067 0.000 2.103 375 K HA -0.179 4.141 4.320 0.000 0.000 0.207 375 K C 1.013 177.651 176.600 0.063 0.000 1.048 375 K CA 1.878 58.201 56.287 0.060 0.000 0.930 375 K CB -0.059 32.474 32.500 0.054 0.000 0.716 375 K HN 0.659 nan 8.250 nan 0.000 0.444 376 D N -0.777 119.663 120.400 0.067 0.000 2.352 376 D HA -0.021 4.619 4.640 0.000 0.000 0.232 376 D C 1.111 177.478 176.300 0.112 0.000 1.055 376 D CA 0.926 54.968 54.000 0.071 0.000 0.891 376 D CB 0.037 40.869 40.800 0.052 0.000 0.897 376 D HN 0.329 nan 8.370 nan 0.000 0.529 377 G N 0.095 108.968 108.800 0.122 0.000 2.225 377 G HA2 -0.315 3.645 3.960 0.000 0.000 0.254 377 G HA3 -0.315 3.645 3.960 0.000 0.000 0.254 377 G C 0.494 175.535 174.900 0.236 0.000 0.988 377 G CA 0.538 45.741 45.100 0.171 0.000 0.625 377 G HN 0.861 nan 8.290 nan 0.000 0.527 378 S N -0.157 115.673 115.700 0.215 0.000 2.624 378 S HA 0.720 5.190 4.470 0.000 0.000 0.263 378 S C 0.264 174.938 174.600 0.123 0.000 1.287 378 S CA -0.387 57.951 58.200 0.230 0.000 0.990 378 S CB 1.686 64.973 63.200 0.146 0.000 0.950 378 S HN 0.618 nan 8.310 nan 0.000 0.561 379 I N 0.949 121.575 120.570 0.094 0.000 2.474 379 I HA 0.612 4.782 4.170 0.000 0.000 0.294 379 I C -0.140 175.971 176.117 -0.009 0.000 1.005 379 I CA -0.809 60.505 61.300 0.023 0.000 1.113 379 I CB 1.838 39.834 38.000 -0.006 0.000 1.289 379 I HN 0.898 nan 8.210 nan 0.000 0.436 380 A N 5.137 127.934 122.820 -0.037 0.000 2.356 380 A HA 0.909 5.229 4.320 0.000 0.000 0.310 380 A C -0.997 176.511 177.584 -0.127 0.000 1.075 380 A CA -0.484 51.505 52.037 -0.080 0.000 0.746 380 A CB 1.539 20.502 19.000 -0.063 0.000 1.221 380 A HN 0.762 nan 8.150 nan 0.000 0.443 381 A N 1.830 124.553 122.820 -0.162 0.000 2.393 381 A HA 0.715 5.035 4.320 0.000 0.000 0.306 381 A C -0.948 176.496 177.584 -0.234 0.000 1.050 381 A CA -0.464 51.463 52.037 -0.185 0.000 0.724 381 A CB 1.393 20.308 19.000 -0.142 0.000 1.248 381 A HN 1.169 nan 8.150 nan 0.000 0.424 382 V N 3.587 123.339 119.914 -0.271 0.000 2.435 382 V HA 0.522 4.642 4.120 0.000 0.000 0.290 382 V C -0.260 175.821 176.094 -0.022 0.000 1.030 382 V CA -0.327 61.853 62.300 -0.199 0.000 0.881 382 V CB 1.120 32.653 31.823 -0.484 0.000 0.983 382 V HN 0.742 nan 8.190 nan 0.000 0.445 383 L N 4.232 125.466 121.223 0.019 0.000 2.341 383 L HA 0.751 5.092 4.340 0.000 0.000 0.267 383 L C -0.983 175.995 176.870 0.180 0.000 1.009 383 L CA -0.553 54.233 54.840 -0.089 0.000 0.819 383 L CB 2.155 44.115 42.059 -0.164 0.000 1.323 383 L HN 0.907 nan 8.230 nan 0.000 0.425 384 W N 0.515 121.831 121.300 0.027 0.000 3.107 384 W HA 0.503 5.163 4.660 0.000 0.000 0.331 384 W C -1.064 175.481 176.519 0.042 0.000 1.204 384 W CA -0.815 56.566 57.345 0.060 0.000 1.184 384 W CB 1.279 30.791 29.460 0.086 0.000 1.421 384 W HN 0.466 nan 8.180 nan 0.000 0.544 385 N N 3.060 121.897 118.700 0.227 0.000 2.804 385 N HA 0.236 4.977 4.740 0.000 0.000 0.251 385 N C -1.566 174.051 175.510 0.178 0.000 1.250 385 N CA -0.571 52.555 53.050 0.127 0.000 0.820 385 N CB 0.595 39.127 38.487 0.075 0.000 1.156 385 N HN 0.626 nan 8.380 nan 0.000 0.512 386 L N 3.774 125.137 121.223 0.232 0.000 2.418 386 L HA 0.290 4.630 4.340 0.000 0.000 0.274 386 L C -1.053 175.888 176.870 0.118 0.000 1.135 386 L CA 0.208 55.160 54.840 0.186 0.000 0.870 386 L CB 0.947 43.116 42.059 0.184 0.000 1.154 386 L HN 0.123 nan 8.230 nan 0.000 0.462 387 V N 7.675 127.653 119.914 0.107 0.000 2.380 387 V HA 0.221 4.341 4.120 0.000 0.000 0.286 387 V C 0.908 177.052 176.094 0.082 0.000 1.015 387 V CA -0.302 62.045 62.300 0.079 0.000 0.834 387 V CB 1.326 33.188 31.823 0.064 0.000 1.009 387 V HN 0.901 nan 8.190 nan 0.000 0.428 388 M N 1.648 121.295 119.600 0.078 0.000 2.506 388 M HA 0.106 4.586 4.480 0.000 0.000 0.260 388 M C 1.010 177.343 176.300 0.055 0.000 1.104 388 M CA 0.707 56.055 55.300 0.081 0.000 1.112 388 M CB 0.091 32.747 32.600 0.094 0.000 1.401 388 M HN 0.709 nan 8.290 nan 0.000 0.473 389 E N 1.235 121.461 120.200 0.043 0.000 2.345 389 E HA 0.140 4.490 4.350 0.000 0.000 0.259 389 E C 0.035 176.652 176.600 0.028 0.000 1.117 389 E CA -0.290 56.127 56.400 0.029 0.000 0.913 389 E CB 0.661 30.374 29.700 0.021 0.000 1.057 389 E HN 0.188 nan 8.360 nan 0.000 0.432 390 K N 0.591 121.002 120.400 0.018 0.000 2.432 390 K HA 0.060 4.380 4.320 0.000 0.000 0.196 390 K C 1.140 177.749 176.600 0.015 0.000 1.038 390 K CA 0.466 56.763 56.287 0.017 0.000 0.986 390 K CB -0.226 32.278 32.500 0.007 0.000 0.782 390 K HN 0.622 nan 8.250 nan 0.000 0.485 391 G N 2.573 111.381 108.800 0.014 0.000 2.818 391 G HA2 -0.204 3.756 3.960 0.000 0.000 0.235 391 G HA3 -0.204 3.756 3.960 0.000 0.000 0.235 391 G C 0.555 175.462 174.900 0.012 0.000 1.244 391 G CA -0.079 45.028 45.100 0.011 0.000 0.853 391 G HN 0.305 nan 8.290 nan 0.000 0.596 392 E N 0.424 120.628 120.200 0.007 0.000 3.033 392 E HA 0.088 4.438 4.350 0.000 0.000 0.420 392 E C 1.550 178.154 176.600 0.006 0.000 0.478 392 E CA 0.162 56.565 56.400 0.004 0.000 2.555 392 E CB -0.621 29.078 29.700 -0.002 0.000 1.927 392 E HN 0.522 nan 8.360 nan 0.000 0.499 393 G N 1.419 110.221 108.800 0.002 0.000 2.526 393 G HA2 0.301 4.261 3.960 0.000 0.000 0.293 393 G HA3 0.301 4.261 3.960 0.000 0.000 0.293 393 G C -0.151 174.753 174.900 0.006 0.000 0.882 393 G CA -0.109 44.992 45.100 0.003 0.000 1.656 393 G HN 0.273 nan 8.290 nan 0.000 0.474 394 L N 2.953 124.183 121.223 0.012 0.000 3.030 394 L HA 0.197 4.537 4.340 0.000 0.000 0.252 394 L C 1.231 178.111 176.870 0.017 0.000 1.316 394 L CA -0.414 54.435 54.840 0.015 0.000 0.975 394 L CB 0.715 42.787 42.059 0.021 0.000 1.357 394 L HN 0.497 nan 8.230 nan 0.000 0.534 395 T N -0.576 113.985 114.554 0.011 0.000 2.814 395 T HA 0.194 4.544 4.350 0.000 0.000 0.297 395 T C 0.084 174.786 174.700 0.003 0.000 0.956 395 T CA -0.128 61.978 62.100 0.010 0.000 1.123 395 T CB 0.626 69.499 68.868 0.008 0.000 0.902 395 T HN 0.173 nan 8.240 nan 0.000 0.528 396 K N 3.443 123.843 120.400 0.000 0.000 2.110 396 K HA 0.325 4.645 4.320 0.000 0.000 0.263 396 K C -0.236 176.352 176.600 -0.020 0.000 0.975 396 K CA -0.675 55.603 56.287 -0.014 0.000 0.895 396 K CB 1.283 33.768 32.500 -0.025 0.000 1.060 396 K HN 0.733 nan 8.250 nan 0.000 0.448 397 E N 2.498 122.682 120.200 -0.027 0.000 2.176 397 E HA 0.292 4.643 4.350 0.000 0.000 0.267 397 E C -1.485 175.087 176.600 -0.046 0.000 0.893 397 E CA -0.784 55.597 56.400 -0.032 0.000 0.761 397 E CB 1.668 31.352 29.700 -0.027 0.000 1.133 397 E HN 0.186 nan 8.360 nan 0.000 0.409 398 V N 4.102 123.983 119.914 -0.054 0.000 2.487 398 V HA 0.290 4.411 4.120 0.000 0.000 0.298 398 V C -0.653 175.401 176.094 -0.066 0.000 1.028 398 V CA -0.837 61.421 62.300 -0.070 0.000 0.860 398 V CB 1.638 33.407 31.823 -0.091 0.000 0.991 398 V HN 0.696 nan 8.190 nan 0.000 0.427 399 Q N 4.291 124.050 119.800 -0.068 0.000 2.425 399 Q HA 0.497 4.837 4.340 0.000 0.000 0.254 399 Q C -1.138 174.818 176.000 -0.074 0.000 1.032 399 Q CA -0.389 55.380 55.803 -0.056 0.000 0.798 399 Q CB 1.511 30.224 28.738 -0.042 0.000 1.210 399 Q HN 0.491 nan 8.270 nan 0.000 0.491 400 L N 3.083 124.257 121.223 -0.081 0.000 2.290 400 L HA 0.381 4.721 4.340 0.000 0.000 0.284 400 L C -0.314 176.504 176.870 -0.086 0.000 1.078 400 L CA -0.294 54.479 54.840 -0.111 0.000 0.815 400 L CB 1.145 43.133 42.059 -0.118 0.000 1.162 400 L HN 0.355 nan 8.230 nan 0.000 0.435 401 V N 5.516 125.363 119.914 -0.111 0.000 2.347 401 V HA 0.415 4.535 4.120 0.000 0.000 0.280 401 V C 0.269 176.261 176.094 -0.170 0.000 1.021 401 V CA -0.540 61.686 62.300 -0.124 0.000 0.847 401 V CB 1.853 33.636 31.823 -0.067 0.000 0.990 401 V HN 0.395 nan 8.190 nan 0.000 0.444 402 I N 7.210 127.666 120.570 -0.191 0.000 2.362 402 I HA 0.403 4.573 4.170 0.000 0.000 0.289 402 I C -2.374 173.629 176.117 -0.189 0.000 0.994 402 I CA -2.681 58.517 61.300 -0.170 0.000 1.158 402 I CB 1.931 39.847 38.000 -0.139 0.000 1.315 402 I HN 0.355 nan 8.210 nan 0.000 0.451 403 P HA 0.089 nan 4.420 nan 0.000 0.266 403 P C -0.453 176.706 177.300 -0.235 0.000 1.215 403 P CA 0.101 63.094 63.100 -0.178 0.000 0.763 403 P CB 1.361 32.972 31.700 -0.148 0.000 0.806 404 V N 4.151 123.918 119.914 -0.245 0.000 2.447 404 V HA 0.048 4.168 4.120 0.000 0.000 0.292 404 V C 1.505 177.401 176.094 -0.330 0.000 1.021 404 V CA -0.052 62.026 62.300 -0.369 0.000 0.850 404 V CB 1.560 33.235 31.823 -0.247 0.000 1.005 404 V HN 0.584 nan 8.190 nan 0.000 0.426 405 S N 4.864 120.279 115.700 -0.475 0.000 2.453 405 S HA -0.006 4.464 4.470 0.000 0.000 0.231 405 S C 1.098 175.682 174.600 -0.026 0.000 1.005 405 S CA 0.532 58.595 58.200 -0.228 0.000 0.949 405 S CB -0.280 62.809 63.200 -0.184 0.000 0.774 405 S HN 0.499 nan 8.310 nan 0.000 0.510 406 F N 2.447 122.389 119.950 -0.013 0.000 1.949 406 F HA 0.357 4.884 4.527 0.000 0.000 0.229 406 F C 2.333 178.127 175.800 -0.009 0.000 1.008 406 F CA -0.267 57.728 58.000 -0.008 0.000 1.218 406 F CB -0.972 38.025 39.000 -0.005 0.000 1.903 406 F HN 0.338 nan 8.300 nan 0.000 0.507 407 S N -2.392 113.461 115.700 0.254 0.000 2.067 407 S HA 0.450 4.920 4.470 0.000 0.000 0.249 407 S C -0.519 174.140 174.600 0.097 0.000 0.916 407 S CA 0.266 58.539 58.200 0.121 0.000 1.458 407 S CB -0.795 62.455 63.200 0.083 0.000 1.037 407 S HN 0.918 nan 8.310 nan 0.000 0.483 408 A N 1.172 124.054 122.820 0.102 0.000 2.422 408 A HA 0.819 5.139 4.320 0.000 0.000 0.302 408 A C -1.294 176.333 177.584 0.072 0.000 1.041 408 A CA -0.488 51.590 52.037 0.068 0.000 0.708 408 A CB 2.157 21.176 19.000 0.032 0.000 1.257 408 A HN 0.606 nan 8.150 nan 0.000 0.414 409 V N 2.237 122.205 119.914 0.089 0.000 2.656 409 V HA 0.544 4.664 4.120 0.000 0.000 0.307 409 V C -1.322 174.842 176.094 0.116 0.000 1.051 409 V CA -0.453 61.910 62.300 0.106 0.000 0.893 409 V CB 1.782 33.704 31.823 0.166 0.000 0.999 409 V HN 0.848 nan 8.190 nan 0.000 0.426 410 F N 6.698 126.618 119.950 -0.050 0.000 2.404 410 F HA 0.684 5.211 4.527 0.000 0.000 0.354 410 F C -0.330 175.448 175.800 -0.037 0.000 1.122 410 F CA -0.594 57.376 58.000 -0.050 0.000 1.080 410 F CB 0.781 39.739 39.000 -0.071 0.000 1.131 410 F HN 0.320 nan 8.300 nan 0.000 0.471 411 I N 6.511 126.669 120.570 -0.687 0.000 2.404 411 I HA 0.367 4.537 4.170 0.000 0.000 0.293 411 I C -0.681 174.954 176.117 -0.803 0.000 0.992 411 I CA -0.827 60.139 61.300 -0.556 0.000 1.149 411 I CB 1.799 39.626 38.000 -0.288 0.000 1.315 411 I HN 0.506 nan 8.210 nan 0.000 0.446 412 K N 6.993 127.062 120.400 -0.553 0.000 2.426 412 K HA 0.538 4.858 4.320 0.000 0.000 0.254 412 K C -1.135 175.300 176.600 -0.275 0.000 0.936 412 K CA -0.752 55.283 56.287 -0.419 0.000 0.801 412 K CB 1.943 34.278 32.500 -0.274 0.000 1.139 412 K HN 0.607 nan 8.250 nan 0.000 0.424 413 R N 3.436 123.790 120.500 -0.244 0.000 2.562 413 R HA 0.273 4.613 4.340 0.000 0.000 0.298 413 R C -1.136 175.032 176.300 -0.221 0.000 0.961 413 R CA -0.468 55.497 56.100 -0.224 0.000 0.881 413 R CB 1.553 31.747 30.300 -0.176 0.000 1.159 413 R HN 0.658 nan 8.270 nan 0.000 0.450 414 Q N 3.829 123.456 119.800 -0.289 0.000 2.337 414 Q HA 0.503 4.843 4.340 0.000 0.000 0.266 414 Q C -0.834 175.075 176.000 -0.151 0.000 1.023 414 Q CA -0.703 54.968 55.803 -0.221 0.000 0.829 414 Q CB 2.910 31.534 28.738 -0.190 0.000 1.306 414 Q HN 0.509 nan 8.270 nan 0.000 0.449 415 I N 1.862 122.491 120.570 0.098 0.000 2.498 415 I HA 0.461 4.631 4.170 0.000 0.000 0.290 415 I C -0.934 175.399 176.117 0.359 0.000 1.032 415 I CA -1.079 60.362 61.300 0.235 0.000 1.073 415 I CB 2.060 40.200 38.000 0.233 0.000 1.251 415 I HN 0.270 nan 8.210 nan 0.000 0.426 416 V N 6.737 126.899 119.914 0.413 0.000 2.540 416 V HA 0.556 4.676 4.120 0.000 0.000 0.302 416 V C -0.327 175.939 176.094 0.286 0.000 1.035 416 V CA -0.466 62.032 62.300 0.330 0.000 0.873 416 V CB 1.614 33.606 31.823 0.283 0.000 0.992 416 V HN 1.023 nan 8.190 nan 0.000 0.428 417 N N 2.085 120.928 118.700 0.239 0.000 3.526 417 N HA 0.297 5.037 4.740 0.000 0.000 0.328 417 N C -0.118 175.456 175.510 0.107 0.000 1.601 417 N CA -0.783 52.365 53.050 0.164 0.000 0.834 417 N CB 1.246 39.819 38.487 0.143 0.000 1.983 417 N HN 0.282 nan 8.380 nan 0.000 0.579 418 E N -0.237 120.000 120.200 0.062 0.000 2.472 418 E HA -0.174 4.176 4.350 0.000 0.000 0.200 418 E C 0.864 177.447 176.600 -0.029 0.000 1.046 418 E CA 1.067 57.497 56.400 0.050 0.000 0.871 418 E CB 0.078 29.806 29.700 0.046 0.000 0.806 418 E HN 0.579 nan 8.360 nan 0.000 0.533 419 Q N -0.904 118.810 119.800 -0.142 0.000 2.422 419 Q HA 0.063 4.403 4.340 0.000 0.000 0.255 419 Q C -0.207 175.595 176.000 -0.330 0.000 0.864 419 Q CA 0.077 55.678 55.803 -0.336 0.000 0.968 419 Q CB 0.755 29.124 28.738 -0.616 0.000 1.130 419 Q HN 0.180 nan 8.270 nan 0.000 0.556 420 Y N -1.187 119.145 120.300 0.053 0.000 2.468 420 Y HA 0.472 5.022 4.550 0.000 0.000 0.342 420 Y C 0.909 176.875 175.900 0.109 0.000 1.021 420 Y CA -0.514 57.628 58.100 0.072 0.000 1.079 420 Y CB 2.238 40.746 38.460 0.080 0.000 1.226 420 Y HN 0.226 nan 8.280 nan 0.000 0.460 421 G N 2.059 111.030 108.800 0.284 0.000 2.179 421 G HA2 -0.374 3.586 3.960 0.000 0.000 0.257 421 G HA3 -0.374 3.586 3.960 0.000 0.000 0.257 421 G C -0.344 174.708 174.900 0.253 0.000 1.010 421 G CA 0.492 45.715 45.100 0.206 0.000 0.736 421 G HN 0.745 nan 8.290 nan 0.000 0.513 422 N N -0.460 118.365 118.700 0.209 0.000 2.804 422 N HA 0.615 5.355 4.740 0.000 0.000 0.251 422 N C 1.309 176.911 175.510 0.152 0.000 1.250 422 N CA 0.310 53.468 53.050 0.179 0.000 0.820 422 N CB 0.286 38.866 38.487 0.155 0.000 1.156 422 N HN 0.309 nan 8.380 nan 0.000 0.512 423 A N 1.814 124.734 122.820 0.166 0.000 2.067 423 A HA -0.115 4.205 4.320 0.000 0.000 0.219 423 A C 1.791 179.402 177.584 0.044 0.000 1.158 423 A CA 0.540 52.692 52.037 0.192 0.000 0.661 423 A CB -0.578 18.633 19.000 0.352 0.000 0.801 423 A HN 0.880 nan 8.150 nan 0.000 0.452 424 W N 0.806 121.829 121.300 -0.461 0.000 2.355 424 W HA -0.172 4.488 4.660 0.000 0.000 0.309 424 W C 2.355 178.804 176.519 -0.116 0.000 1.206 424 W CA 1.957 58.898 57.345 -0.674 0.000 1.284 424 W CB -0.322 28.750 29.460 -0.647 0.000 1.145 424 W HN 0.263 nan 8.180 nan 0.000 0.502 425 R N -0.120 120.325 120.500 -0.092 0.000 2.096 425 R HA -0.201 4.139 4.340 0.000 0.000 0.240 425 R C 1.917 178.129 176.300 -0.145 0.000 1.139 425 R CA 2.430 58.402 56.100 -0.213 0.000 0.952 425 R CB -0.758 29.503 30.300 -0.066 0.000 0.854 425 R HN 0.202 nan 8.270 nan 0.000 0.436 426 V N -0.654 119.251 119.914 -0.015 0.000 2.358 426 V HA -0.232 3.888 4.120 0.000 0.000 0.246 426 V C 1.855 177.994 176.094 0.075 0.000 1.047 426 V CA 1.697 64.015 62.300 0.030 0.000 1.035 426 V CB -0.720 31.154 31.823 0.084 0.000 0.658 426 V HN 0.556 nan 8.190 nan 0.000 0.452 427 W N 1.667 122.937 121.300 -0.050 0.000 2.342 427 W HA -0.193 4.468 4.660 0.000 0.000 0.297 427 W C 2.290 178.759 176.519 -0.085 0.000 1.213 427 W CA 1.801 59.159 57.345 0.021 0.000 1.251 427 W CB -0.109 29.497 29.460 0.243 0.000 1.136 427 W HN 0.103 nan 8.180 nan 0.000 0.526 428 K N -0.057 120.161 120.400 -0.304 0.000 2.097 428 K HA -0.198 4.122 4.320 0.000 0.000 0.205 428 K C 2.032 178.420 176.600 -0.353 0.000 1.050 428 K CA 1.824 57.796 56.287 -0.525 0.000 0.938 428 K CB -0.445 31.732 32.500 -0.539 0.000 0.718 428 K HN 0.332 nan 8.250 nan 0.000 0.442 429 Q N 0.225 119.889 119.800 -0.226 0.000 2.224 429 Q HA -0.029 4.311 4.340 0.000 0.000 0.203 429 Q C 1.681 177.596 176.000 -0.141 0.000 0.970 429 Q CA 1.036 56.745 55.803 -0.157 0.000 0.865 429 Q CB -0.040 28.638 28.738 -0.100 0.000 0.922 429 Q HN 0.329 nan 8.270 nan 0.000 0.445 430 M N -0.837 118.672 119.600 -0.152 0.000 2.659 430 M HA 0.084 4.564 4.480 0.000 0.000 0.243 430 M C 0.668 176.858 176.300 -0.183 0.000 1.111 430 M CA 0.672 55.898 55.300 -0.123 0.000 1.070 430 M CB 0.460 33.025 32.600 -0.058 0.000 1.525 430 M HN 0.384 nan 8.290 nan 0.000 0.517 431 G N 1.515 110.159 108.800 -0.261 0.000 2.132 431 G HA2 -0.274 3.686 3.960 0.000 0.000 0.228 431 G HA3 -0.274 3.686 3.960 0.000 0.000 0.228 431 G C 0.022 174.686 174.900 -0.394 0.000 1.000 431 G CA -0.197 44.746 45.100 -0.261 0.000 0.693 431 G HN 0.543 nan 8.290 nan 0.000 0.515 432 R N -1.581 118.473 120.500 -0.744 0.000 3.158 432 R HA -0.168 4.173 4.340 0.000 0.000 0.244 432 R C -2.061 173.948 176.300 -0.484 0.000 0.900 432 R CA 0.801 56.155 56.100 -1.244 0.000 0.618 432 R CB -1.651 27.995 30.300 -1.091 0.000 1.061 432 R HN 0.538 nan 8.270 nan 0.000 0.471 433 P HA -0.041 nan 4.420 nan 0.000 0.267 433 P C 0.246 177.671 177.300 0.208 0.000 1.205 433 P CA 0.216 63.339 63.100 0.039 0.000 0.765 433 P CB 0.663 32.420 31.700 0.095 0.000 0.828 434 R N 2.041 122.492 120.500 -0.080 0.000 2.073 434 R HA 0.037 4.377 4.340 0.000 0.000 0.229 434 R C 0.430 176.362 176.300 -0.615 0.000 1.120 434 R CA 1.321 57.151 56.100 -0.450 0.000 0.967 434 R CB -0.136 29.545 30.300 -1.032 0.000 0.862 434 R HN 0.494 nan 8.270 nan 0.000 0.436 435 F N 1.746 121.798 119.950 0.170 0.000 2.531 435 F HA 0.341 4.868 4.527 0.000 0.000 0.333 435 F C -2.030 173.837 175.800 0.112 0.000 1.292 435 F CA -2.344 55.733 58.000 0.129 0.000 1.184 435 F CB 0.782 39.836 39.000 0.090 0.000 1.426 435 F HN -0.132 nan 8.300 nan 0.000 0.559 436 P HA 0.138 nan 4.420 nan 0.000 0.272 436 P C 0.150 177.488 177.300 0.064 0.000 1.223 436 P CA -0.241 62.933 63.100 0.124 0.000 0.784 436 P CB 1.032 32.800 31.700 0.115 0.000 0.923 437 S N 1.710 117.440 115.700 0.049 0.000 2.580 437 S HA 0.069 4.539 4.470 0.000 0.000 0.266 437 S C 1.366 175.945 174.600 -0.034 0.000 1.354 437 S CA -0.317 57.896 58.200 0.022 0.000 1.008 437 S CB 0.481 63.697 63.200 0.027 0.000 0.898 437 S HN 0.369 nan 8.310 nan 0.000 0.555 438 R N 0.972 121.455 120.500 -0.029 0.000 2.103 438 R HA -0.184 4.157 4.340 0.000 0.000 0.242 438 R C 2.682 178.965 176.300 -0.029 0.000 1.142 438 R CA 2.351 58.425 56.100 -0.043 0.000 0.960 438 R CB -0.541 29.753 30.300 -0.008 0.000 0.858 438 R HN 0.756 nan 8.270 nan 0.000 0.439 439 Q N -0.214 119.583 119.800 -0.006 0.000 2.119 439 Q HA -0.089 4.251 4.340 0.000 0.000 0.201 439 Q C 2.235 178.241 176.000 0.010 0.000 0.972 439 Q CA 1.410 57.217 55.803 0.006 0.000 0.847 439 Q CB -0.100 28.646 28.738 0.014 0.000 0.903 439 Q HN 0.395 nan 8.270 nan 0.000 0.433 440 A N 0.311 123.138 122.820 0.011 0.000 1.930 440 A HA -0.120 4.200 4.320 0.000 0.000 0.217 440 A C 2.306 179.907 177.584 0.028 0.000 1.175 440 A CA 1.135 53.192 52.037 0.034 0.000 0.627 440 A CB -0.575 18.457 19.000 0.053 0.000 0.815 440 A HN 0.205 nan 8.150 nan 0.000 0.443 441 V N 0.108 120.000 119.914 -0.037 0.000 2.343 441 V HA -0.265 3.855 4.120 0.000 0.000 0.247 441 V C 2.527 178.610 176.094 -0.019 0.000 1.051 441 V CA 2.290 64.539 62.300 -0.084 0.000 1.036 441 V CB -0.638 31.011 31.823 -0.290 0.000 0.654 441 V HN 0.811 nan 8.190 nan 0.000 0.451 442 E N -0.128 120.067 120.200 -0.008 0.000 2.110 442 E HA -0.223 4.127 4.350 0.000 0.000 0.193 442 E C 2.181 178.804 176.600 0.039 0.000 0.988 442 E CA 1.801 58.211 56.400 0.017 0.000 0.804 442 E CB -0.121 29.588 29.700 0.016 0.000 0.745 442 E HN 0.588 nan 8.360 nan 0.000 0.458 443 T N 1.309 115.890 114.554 0.045 0.000 2.746 443 T HA -0.105 4.245 4.350 0.000 0.000 0.267 443 T C 1.827 176.580 174.700 0.089 0.000 1.039 443 T CA 1.135 63.273 62.100 0.063 0.000 1.142 443 T CB -0.125 68.780 68.868 0.061 0.000 0.866 443 T HN 0.170 nan 8.240 nan 0.000 0.444 444 L N 0.356 121.641 121.223 0.105 0.000 2.141 444 L HA -0.000 4.340 4.340 0.000 0.000 0.209 444 L C 2.810 179.758 176.870 0.131 0.000 1.094 444 L CA 1.082 56.013 54.840 0.152 0.000 0.763 444 L CB -0.459 41.721 42.059 0.203 0.000 0.908 444 L HN 0.150 nan 8.230 nan 0.000 0.437 445 R N 0.042 120.594 120.500 0.087 0.000 2.081 445 R HA -0.190 4.150 4.340 0.000 0.000 0.235 445 R C 2.342 178.691 176.300 0.082 0.000 1.131 445 R CA 1.475 57.617 56.100 0.070 0.000 0.960 445 R CB -0.086 30.239 30.300 0.042 0.000 0.856 445 R HN 0.389 nan 8.270 nan 0.000 0.436 446 Q N -0.391 119.456 119.800 0.079 0.000 2.061 446 Q HA -0.141 4.199 4.340 0.000 0.000 0.204 446 Q C 2.038 178.101 176.000 0.105 0.000 0.984 446 Q CA 1.740 57.593 55.803 0.083 0.000 0.846 446 Q CB 0.094 28.877 28.738 0.074 0.000 0.902 446 Q HN 0.230 nan 8.270 nan 0.000 0.421 447 V N 0.432 120.417 119.914 0.119 0.000 2.759 447 V HA -0.175 3.945 4.120 0.000 0.000 0.256 447 V C 1.878 178.071 176.094 0.165 0.000 1.080 447 V CA 1.431 63.815 62.300 0.140 0.000 1.101 447 V CB -0.429 31.474 31.823 0.134 0.000 0.698 447 V HN 0.349 nan 8.190 nan 0.000 0.477 448 A N -1.245 121.676 122.820 0.169 0.000 2.206 448 A HA 0.023 4.343 4.320 0.000 0.000 0.211 448 A C 1.154 178.873 177.584 0.226 0.000 1.158 448 A CA 0.340 52.508 52.037 0.220 0.000 0.761 448 A CB -0.156 18.962 19.000 0.197 0.000 0.801 448 A HN 0.497 nan 8.150 nan 0.000 0.473 449 Q N 0.464 120.346 119.800 0.137 0.000 2.293 449 Q HA 0.331 4.671 4.340 0.000 0.000 0.251 449 Q C -2.564 173.426 176.000 -0.017 0.000 0.930 449 Q CA -2.396 53.442 55.803 0.058 0.000 0.893 449 Q CB -0.030 28.753 28.738 0.076 0.000 1.215 449 Q HN 0.165 nan 8.270 nan 0.000 0.425 450 P HA -0.036 nan 4.420 nan 0.000 0.268 450 P C -0.369 176.960 177.300 0.050 0.000 1.208 450 P CA 0.078 63.153 63.100 -0.041 0.000 0.777 450 P CB 0.428 32.162 31.700 0.057 0.000 0.875 451 H N 1.619 120.651 119.070 -0.063 0.000 2.646 451 H HA 0.246 4.802 4.556 0.000 0.000 0.325 451 H C -0.896 174.325 175.328 -0.178 0.000 1.075 451 H CA -0.235 55.654 56.048 -0.265 0.000 1.421 451 H CB 0.580 29.855 29.762 -0.811 0.000 1.461 451 H HN 0.055 nan 8.280 nan 0.000 0.525 452 V N 7.473 127.009 119.914 -0.630 0.000 2.459 452 V HA 0.310 4.430 4.120 0.000 0.000 0.295 452 V C 0.074 175.868 176.094 -0.501 0.000 1.029 452 V CA -0.601 61.452 62.300 -0.413 0.000 0.874 452 V CB 1.534 33.222 31.823 -0.225 0.000 0.985 452 V HN 0.746 nan 8.190 nan 0.000 0.438 453 M N 4.354 123.766 119.600 -0.314 0.000 2.393 453 M HA 0.624 5.104 4.480 0.000 0.000 0.299 453 M C -0.524 175.659 176.300 -0.195 0.000 1.103 453 M CA -0.369 54.796 55.300 -0.224 0.000 0.910 453 M CB 2.658 35.166 32.600 -0.153 0.000 1.659 453 M HN 0.784 nan 8.290 nan 0.000 0.445 454 T N -0.475 113.984 114.554 -0.158 0.000 2.906 454 T HA 0.867 5.217 4.350 0.000 0.000 0.295 454 T C -0.976 173.625 174.700 -0.165 0.000 1.061 454 T CA -0.846 61.120 62.100 -0.223 0.000 1.000 454 T CB 2.695 71.525 68.868 -0.064 0.000 1.103 454 T HN 0.819 nan 8.240 nan 0.000 0.486 455 E N 0.543 120.595 120.200 -0.248 0.000 2.407 455 E HA 0.412 4.762 4.350 0.000 0.000 0.279 455 E C -1.431 175.143 176.600 -0.043 0.000 1.012 455 E CA -1.135 55.210 56.400 -0.092 0.000 0.800 455 E CB 1.732 31.383 29.700 -0.082 0.000 1.276 455 E HN 0.705 nan 8.360 nan 0.000 0.452 456 Q N 1.251 121.085 119.800 0.056 0.000 2.245 456 Q HA 0.405 4.745 4.340 0.000 0.000 0.256 456 Q C -0.976 175.044 176.000 0.033 0.000 0.942 456 Q CA -0.817 55.036 55.803 0.084 0.000 0.896 456 Q CB 1.221 30.021 28.738 0.104 0.000 1.272 456 Q HN 0.393 nan 8.270 nan 0.000 0.442 457 R N 2.806 123.326 120.500 0.033 0.000 2.574 457 R HA 0.384 4.724 4.340 0.000 0.000 0.288 457 R C -1.054 175.268 176.300 0.036 0.000 1.004 457 R CA -0.956 55.158 56.100 0.024 0.000 0.895 457 R CB 1.559 31.864 30.300 0.008 0.000 1.191 457 R HN 0.611 nan 8.270 nan 0.000 0.444 458 R N 1.274 121.794 120.500 0.032 0.000 2.401 458 R HA 0.193 4.533 4.340 0.000 0.000 0.299 458 R C -0.219 176.100 176.300 0.031 0.000 1.064 458 R CA -0.145 55.976 56.100 0.034 0.000 1.000 458 R CB 0.804 31.121 30.300 0.028 0.000 0.973 458 R HN 0.660 nan 8.270 nan 0.000 0.438 459 A N 3.292 126.133 122.820 0.036 0.000 2.444 459 A HA 0.110 4.430 4.320 0.000 0.000 0.273 459 A C 0.566 178.154 177.584 0.006 0.000 1.136 459 A CA 0.009 52.054 52.037 0.013 0.000 0.799 459 A CB 0.091 19.106 19.000 0.025 0.000 1.081 459 A HN 0.612 nan 8.150 nan 0.000 0.509 460 T N 2.185 116.738 114.554 -0.002 0.000 2.897 460 T HA 0.235 4.585 4.350 0.000 0.000 0.294 460 T C 0.131 174.825 174.700 -0.010 0.000 1.004 460 T CA -0.291 61.819 62.100 0.016 0.000 1.106 460 T CB -0.142 68.771 68.868 0.075 0.000 0.949 460 T HN 0.694 nan 8.240 nan 0.000 0.520 461 D N 3.664 124.066 120.400 0.003 0.000 3.498 461 D HA -0.190 4.450 4.640 0.000 0.000 0.192 461 D C 1.292 177.570 176.300 -0.036 0.000 1.262 461 D CA 1.758 55.753 54.000 -0.008 0.000 0.658 461 D CB -1.245 39.558 40.800 0.006 0.000 0.962 461 D HN 1.126 nan 8.370 nan 0.000 0.432 462 G N -1.594 107.178 108.800 -0.046 0.000 2.199 462 G HA2 -0.277 3.684 3.960 0.000 0.000 0.254 462 G HA3 -0.277 3.684 3.960 0.000 0.000 0.254 462 G C 0.287 175.118 174.900 -0.114 0.000 0.982 462 G CA 0.247 45.305 45.100 -0.070 0.000 0.632 462 G HN 0.608 nan 8.290 nan 0.000 0.529 463 V N 1.324 121.155 119.914 -0.139 0.000 2.876 463 V HA 0.770 4.890 4.120 0.000 0.000 0.312 463 V C -0.115 175.822 176.094 -0.263 0.000 1.085 463 V CA -0.504 61.656 62.300 -0.232 0.000 0.945 463 V CB 2.052 33.693 31.823 -0.304 0.000 1.017 463 V HN 0.864 nan 8.190 nan 0.000 0.428 464 I N 1.138 121.546 120.570 -0.270 0.000 2.404 464 I HA 0.652 4.822 4.170 0.000 0.000 0.293 464 I C -0.797 175.133 176.117 -0.312 0.000 0.992 464 I CA -0.396 60.766 61.300 -0.231 0.000 1.149 464 I CB 1.619 39.563 38.000 -0.093 0.000 1.315 464 I HN 0.632 nan 8.210 nan 0.000 0.446 465 H N 6.227 125.269 119.070 -0.047 0.000 2.552 465 H HA 0.600 5.156 4.556 0.000 0.000 0.311 465 H C -0.766 174.529 175.328 -0.056 0.000 1.071 465 H CA -0.422 55.593 56.048 -0.055 0.000 1.307 465 H CB 1.355 31.088 29.762 -0.048 0.000 1.416 465 H HN 0.457 nan 8.280 nan 0.000 0.464 466 L N 3.010 124.252 121.223 0.032 0.000 2.333 466 L HA 0.387 4.727 4.340 0.000 0.000 0.280 466 L C -0.392 176.467 176.870 -0.017 0.000 1.004 466 L CA -0.736 54.097 54.840 -0.012 0.000 0.820 466 L CB 1.442 43.470 42.059 -0.052 0.000 1.247 466 L HN 0.672 nan 8.230 nan 0.000 0.416 467 S N 4.286 119.974 115.700 -0.020 0.000 2.456 467 S HA 0.658 5.128 4.470 0.000 0.000 0.316 467 S C -0.605 173.975 174.600 -0.034 0.000 1.089 467 S CA -0.820 57.363 58.200 -0.029 0.000 1.101 467 S CB 1.577 64.762 63.200 -0.025 0.000 0.995 467 S HN 0.309 nan 8.310 nan 0.000 0.468 468 I N 3.302 123.847 120.570 -0.041 0.000 2.382 468 I HA 0.355 4.525 4.170 0.000 0.000 0.286 468 I C -0.468 175.631 176.117 -0.029 0.000 1.002 468 I CA -1.033 60.243 61.300 -0.040 0.000 1.135 468 I CB 1.198 39.163 38.000 -0.059 0.000 1.288 468 I HN 0.425 nan 8.210 nan 0.000 0.448 469 V N 7.543 127.450 119.914 -0.012 0.000 2.383 469 V HA 0.370 4.490 4.120 0.000 0.000 0.275 469 V C 0.214 176.317 176.094 0.014 0.000 1.036 469 V CA -0.470 61.829 62.300 -0.002 0.000 0.889 469 V CB 1.704 33.531 31.823 0.006 0.000 0.985 469 V HN 0.442 nan 8.190 nan 0.000 0.459 470 L N 5.610 126.839 121.223 0.011 0.000 2.280 470 L HA 0.472 4.812 4.340 0.000 0.000 0.287 470 L C 0.786 177.680 176.870 0.039 0.000 1.023 470 L CA -0.079 54.780 54.840 0.032 0.000 0.819 470 L CB 1.758 43.828 42.059 0.019 0.000 1.212 470 L HN 0.798 nan 8.230 nan 0.000 0.420 471 S N 2.514 118.247 115.700 0.055 0.000 2.633 471 S HA 0.205 4.675 4.470 0.000 0.000 0.257 471 S C 0.094 174.729 174.600 0.058 0.000 1.265 471 S CA -0.717 57.511 58.200 0.046 0.000 0.980 471 S CB 0.712 63.934 63.200 0.037 0.000 1.017 471 S HN 0.573 nan 8.310 nan 0.000 0.577 472 K N 0.934 121.364 120.400 0.050 0.000 2.472 472 K HA -0.040 4.280 4.320 0.000 0.000 0.280 472 K C -0.250 176.401 176.600 0.086 0.000 1.028 472 K CA 0.373 56.697 56.287 0.061 0.000 1.045 472 K CB -0.371 32.158 32.500 0.049 0.000 0.902 472 K HN 0.653 nan 8.250 nan 0.000 0.478 473 N N 2.077 120.842 118.700 0.108 0.000 2.725 473 N HA -0.218 4.522 4.740 0.000 0.000 0.249 473 N C -0.677 174.930 175.510 0.161 0.000 1.103 473 N CA 1.040 54.173 53.050 0.138 0.000 0.707 473 N CB -0.874 37.687 38.487 0.122 0.000 1.043 473 N HN 0.733 nan 8.380 nan 0.000 0.553 474 E N 0.208 120.507 120.200 0.164 0.000 2.366 474 E HA 0.389 4.739 4.350 0.000 0.000 0.266 474 E C -0.518 176.235 176.600 0.255 0.000 1.051 474 E CA -0.405 56.111 56.400 0.194 0.000 0.884 474 E CB 0.976 30.771 29.700 0.158 0.000 1.006 474 E HN 0.018 nan 8.360 nan 0.000 0.417 475 V N 3.087 123.184 119.914 0.304 0.000 2.588 475 V HA 0.394 4.515 4.120 0.000 0.000 0.304 475 V C -0.206 176.134 176.094 0.410 0.000 1.042 475 V CA -0.667 61.867 62.300 0.389 0.000 0.877 475 V CB 1.887 33.961 31.823 0.419 0.000 0.996 475 V HN 0.728 nan 8.190 nan 0.000 0.425 476 T N 4.718 119.414 114.554 0.236 0.000 2.916 476 T HA 0.633 4.983 4.350 0.000 0.000 0.298 476 T C -1.462 173.061 174.700 -0.294 0.000 1.031 476 T CA -0.390 61.687 62.100 -0.038 0.000 0.993 476 T CB 1.322 70.177 68.868 -0.022 0.000 1.045 476 T HN 0.541 nan 8.240 nan 0.000 0.454 477 L N 6.270 127.018 121.223 -0.792 0.000 2.275 477 L HA 0.756 5.096 4.340 0.000 0.000 0.288 477 L C -1.221 175.400 176.870 -0.415 0.000 1.046 477 L CA -0.219 54.221 54.840 -0.667 0.000 0.805 477 L CB 0.619 42.095 42.059 -0.972 0.000 1.193 477 L HN 0.655 nan 8.230 nan 0.000 0.426 478 I N 4.574 124.975 120.570 -0.281 0.000 2.418 478 I HA 0.397 4.567 4.170 0.000 0.000 0.287 478 I C -0.511 175.501 176.117 -0.175 0.000 1.008 478 I CA -0.409 60.762 61.300 -0.215 0.000 1.104 478 I CB 1.731 39.628 38.000 -0.171 0.000 1.264 478 I HN 0.604 nan 8.210 nan 0.000 0.438 479 E N 6.723 126.827 120.200 -0.160 0.000 2.183 479 E HA 0.651 5.002 4.350 0.000 0.000 0.271 479 E C -1.071 175.473 176.600 -0.092 0.000 0.919 479 E CA -0.623 55.717 56.400 -0.101 0.000 0.781 479 E CB 2.654 32.313 29.700 -0.068 0.000 1.140 479 E HN 0.425 nan 8.360 nan 0.000 0.402 480 I N 2.934 123.492 120.570 -0.021 0.000 2.447 480 I HA 0.278 4.448 4.170 0.000 0.000 0.287 480 I C -0.387 175.813 176.117 0.138 0.000 1.023 480 I CA -0.619 60.699 61.300 0.030 0.000 1.083 480 I CB 1.274 39.300 38.000 0.043 0.000 1.245 480 I HN 0.333 nan 8.210 nan 0.000 0.434 481 E N 5.704 125.969 120.200 0.109 0.000 2.288 481 E HA 0.286 4.636 4.350 0.000 0.000 0.268 481 E C -1.156 175.289 176.600 -0.258 0.000 0.885 481 E CA -0.945 55.459 56.400 0.008 0.000 0.767 481 E CB 2.689 32.422 29.700 0.055 0.000 1.220 481 E HN 0.510 nan 8.360 nan 0.000 0.427 482 Q N 1.460 120.694 119.800 -0.944 0.000 2.311 482 Q HA 0.117 4.457 4.340 0.000 0.000 0.272 482 Q C -0.684 175.047 176.000 -0.449 0.000 1.012 482 Q CA -0.101 54.965 55.803 -1.227 0.000 0.891 482 Q CB 0.818 28.566 28.738 -1.650 0.000 1.201 482 Q HN 0.274 nan 8.270 nan 0.000 0.391 483 V N 6.145 125.911 119.914 -0.246 0.000 2.408 483 V HA 0.179 4.299 4.120 0.000 0.000 0.267 483 V C 0.221 176.239 176.094 -0.127 0.000 1.047 483 V CA -0.005 62.216 62.300 -0.132 0.000 0.937 483 V CB 0.844 32.639 31.823 -0.046 0.000 0.999 483 V HN 0.703 nan 8.190 nan 0.000 0.472 484 R N 3.175 123.603 120.500 -0.120 0.000 2.408 484 R HA 0.212 4.552 4.340 0.000 0.000 0.308 484 R C -0.375 175.894 176.300 -0.050 0.000 1.210 484 R CA -0.520 55.534 56.100 -0.077 0.000 1.115 484 R CB 0.220 30.475 30.300 -0.074 0.000 1.127 484 R HN 0.653 nan 8.270 nan 0.000 0.523 485 D N 1.839 122.220 120.400 -0.032 0.000 2.390 485 D HA -0.020 4.620 4.640 0.000 0.000 0.249 485 D C 0.361 176.669 176.300 0.014 0.000 1.144 485 D CA 0.324 54.313 54.000 -0.018 0.000 0.880 485 D CB 0.986 41.779 40.800 -0.012 0.000 1.182 485 D HN 0.446 nan 8.370 nan 0.000 0.451 486 E N 1.309 121.537 120.200 0.047 0.000 2.481 486 E HA 0.015 4.365 4.350 0.000 0.000 0.198 486 E C 1.293 178.043 176.600 0.251 0.000 1.027 486 E CA 0.023 56.501 56.400 0.130 0.000 0.900 486 E CB 0.454 30.255 29.700 0.168 0.000 0.993 486 E HN 0.459 nan 8.360 nan 0.000 0.482 487 T N 0.918 115.555 114.554 0.139 0.000 2.684 487 T HA -0.228 4.122 4.350 0.000 0.000 0.267 487 T C 2.145 176.958 174.700 0.189 0.000 1.036 487 T CA 1.790 63.958 62.100 0.113 0.000 1.148 487 T CB -0.317 68.528 68.868 -0.039 0.000 0.863 487 T HN 0.296 nan 8.240 nan 0.000 0.436 488 S N 0.846 116.610 115.700 0.108 0.000 2.440 488 S HA -0.164 4.306 4.470 0.000 0.000 0.238 488 S C 2.039 176.687 174.600 0.078 0.000 1.010 488 S CA 1.627 59.874 58.200 0.078 0.000 0.972 488 S CB -1.002 62.223 63.200 0.042 0.000 0.774 488 S HN 0.422 nan 8.310 nan 0.000 0.501 489 T N 0.687 115.296 114.554 0.092 0.000 2.915 489 T HA 0.030 4.380 4.350 0.000 0.000 0.269 489 T C -0.168 174.494 174.700 -0.063 0.000 1.071 489 T CA 0.815 62.902 62.100 -0.022 0.000 1.132 489 T CB -0.421 68.392 68.868 -0.092 0.000 0.878 489 T HN 0.597 nan 8.240 nan 0.000 0.479 490 Y N 2.075 122.362 120.300 -0.021 0.000 2.735 490 Y HA 0.352 4.902 4.550 0.000 0.000 0.354 490 Y C 0.243 176.133 175.900 -0.016 0.000 1.288 490 Y CA -1.037 57.051 58.100 -0.021 0.000 1.836 490 Y CB -0.742 37.703 38.460 -0.025 0.000 1.920 490 Y HN -0.138 nan 8.280 nan 0.000 0.438 491 V N 1.514 121.471 119.914 0.072 0.000 2.540 491 V HA 0.200 4.320 4.120 0.000 0.000 0.297 491 V C 1.254 177.377 176.094 0.049 0.000 1.024 491 V CA 1.265 63.594 62.300 0.048 0.000 1.105 491 V CB 0.294 32.127 31.823 0.016 0.000 0.938 491 V HN 0.975 nan 8.190 nan 0.000 0.482 492 G N 3.847 112.673 108.800 0.044 0.000 2.217 492 G HA2 -0.232 3.728 3.960 0.000 0.000 0.246 492 G HA3 -0.232 3.728 3.960 0.000 0.000 0.246 492 G C 0.137 175.061 174.900 0.041 0.000 0.990 492 G CA 0.145 45.267 45.100 0.036 0.000 0.627 492 G HN 0.774 nan 8.290 nan 0.000 0.522 493 L N 1.288 122.546 121.223 0.059 0.000 2.499 493 L HA 0.555 4.895 4.340 0.000 0.000 0.273 493 L C -0.639 176.238 176.870 0.011 0.000 1.195 493 L CA 0.207 55.072 54.840 0.042 0.000 0.882 493 L CB 0.785 42.871 42.059 0.045 0.000 1.133 493 L HN 0.155 nan 8.230 nan 0.000 0.483 494 D N 3.108 123.510 120.400 0.002 0.000 2.365 494 D HA 0.123 4.763 4.640 0.000 0.000 0.235 494 D C 0.061 176.361 176.300 -0.000 0.000 1.368 494 D CA -0.418 53.583 54.000 0.002 0.000 1.001 494 D CB 1.152 41.959 40.800 0.013 0.000 1.364 494 D HN 0.532 nan 8.370 nan 0.000 0.577 495 D N 1.978 122.370 120.400 -0.013 0.000 2.263 495 D HA -0.065 4.575 4.640 0.000 0.000 0.208 495 D C 2.043 178.381 176.300 0.063 0.000 0.971 495 D CA 1.026 55.022 54.000 -0.008 0.000 0.867 495 D CB 0.035 40.815 40.800 -0.033 0.000 0.929 495 D HN 0.646 nan 8.370 nan 0.000 0.492 496 G N 0.721 109.554 108.800 0.054 0.000 2.501 496 G HA2 -0.236 3.724 3.960 0.000 0.000 0.220 496 G HA3 -0.236 3.724 3.960 0.000 0.000 0.220 496 G C 1.317 176.251 174.900 0.056 0.000 1.114 496 G CA 0.391 45.526 45.100 0.059 0.000 0.757 496 G HN 0.229 nan 8.290 nan 0.000 0.559 497 E N -0.221 120.008 120.200 0.048 0.000 2.479 497 E HA 0.143 4.493 4.350 0.000 0.000 0.193 497 E C 0.484 177.119 176.600 0.059 0.000 1.049 497 E CA -0.078 56.347 56.400 0.042 0.000 0.870 497 E CB 0.463 30.180 29.700 0.029 0.000 0.944 497 E HN 0.449 nan 8.360 nan 0.000 0.492 498 I N 1.851 122.478 120.570 0.095 0.000 2.353 498 I HA 0.027 4.197 4.170 0.000 0.000 0.293 498 I C 0.880 177.114 176.117 0.195 0.000 0.992 498 I CA -0.608 60.775 61.300 0.138 0.000 1.268 498 I CB 1.377 39.454 38.000 0.129 0.000 1.387 498 I HN -0.182 nan 8.210 nan 0.000 0.478 499 T N 3.211 117.848 114.554 0.138 0.000 2.905 499 T HA 0.029 4.380 4.350 0.000 0.000 0.299 499 T C 1.029 175.744 174.700 0.025 0.000 1.024 499 T CA 0.434 62.578 62.100 0.074 0.000 1.151 499 T CB 0.419 69.311 68.868 0.040 0.000 0.987 499 T HN 1.175 nan 8.240 nan 0.000 0.535 500 S N 1.268 116.915 115.700 -0.090 0.000 2.691 500 S HA -0.198 4.272 4.470 0.000 0.000 0.262 500 S C -0.050 174.291 174.600 -0.432 0.000 1.284 500 S CA 0.950 58.985 58.200 -0.275 0.000 1.372 500 S CB -2.801 60.166 63.200 -0.387 0.000 1.693 500 S HN 0.919 nan 8.310 nan 0.000 0.647 501 Y N 2.469 122.767 120.300 -0.005 0.000 2.488 501 Y HA 0.766 5.316 4.550 0.000 0.000 0.325 501 Y C 0.978 176.874 175.900 -0.007 0.000 1.204 501 Y CA 0.223 58.319 58.100 -0.007 0.000 1.229 501 Y CB 1.826 40.280 38.460 -0.010 0.000 1.274 501 Y HN 0.626 nan 8.280 nan 0.000 0.493 502 S N 0.000 115.780 115.700 0.133 0.000 2.498 502 S HA 0.000 4.470 4.470 0.000 0.000 0.327 502 S CA 0.000 58.260 58.200 0.099 0.000 1.107 502 S CB 0.000 63.244 63.200 0.073 0.000 0.593 502 S HN 0.000 nan 8.310 nan 0.000 0.517