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 1xsi_1_F DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.154 176.300 -0.243 0.000 1.140 1 M CA 0.000 55.164 55.300 -0.227 0.000 0.988 1 M CB 0.000 32.390 32.600 -0.349 0.000 1.302 2 K N 4.922 125.196 120.400 -0.210 0.000 2.379 2 K HA 0.360 4.680 4.320 -0.000 0.000 0.284 2 K C 0.236 176.687 176.600 -0.247 0.000 1.044 2 K CA 0.129 56.298 56.287 -0.198 0.000 0.974 2 K CB 0.779 33.193 32.500 -0.143 0.000 0.962 2 K HN 0.711 nan 8.250 nan 0.000 0.474 3 I N 0.217 120.619 120.570 -0.279 0.000 3.366 3 I HA -0.100 4.070 4.170 -0.000 0.000 0.267 3 I C 0.879 176.854 176.117 -0.237 0.000 1.149 3 I CA 0.215 61.316 61.300 -0.332 0.000 1.436 3 I CB 0.191 37.861 38.000 -0.549 0.000 1.379 3 I HN 0.491 nan 8.210 nan 0.000 0.460 4 S N 0.184 115.758 115.700 -0.210 0.000 2.669 4 S HA 0.247 4.717 4.470 -0.000 0.000 0.270 4 S C -0.439 174.095 174.600 -0.110 0.000 1.225 4 S CA -0.512 57.602 58.200 -0.142 0.000 0.991 4 S CB 1.709 64.825 63.200 -0.140 0.000 0.987 4 S HN 0.202 nan 8.310 nan 0.000 0.552 5 D N -0.176 120.181 120.400 -0.073 0.000 2.408 5 D HA 0.504 5.144 4.640 -0.000 0.000 0.261 5 D C 0.773 177.055 176.300 -0.030 0.000 1.190 5 D CA 0.724 54.695 54.000 -0.048 0.000 0.910 5 D CB 0.121 40.904 40.800 -0.028 0.000 1.097 5 D HN 1.061 nan 8.370 nan 0.000 0.522 6 G N 3.836 112.602 108.800 -0.056 0.000 2.641 6 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.254 6 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.254 6 G C 0.879 175.673 174.900 -0.178 0.000 1.315 6 G CA 0.195 45.247 45.100 -0.080 0.000 0.907 6 G HN 0.551 nan 8.290 nan 0.000 0.572 7 N N -0.700 117.785 118.700 -0.359 0.000 2.331 7 N HA 0.033 4.773 4.740 -0.000 0.000 0.180 7 N C 1.932 177.073 175.510 -0.616 0.000 1.019 7 N CA 2.360 55.005 53.050 -0.675 0.000 0.881 7 N CB -0.095 37.673 38.487 -1.198 0.000 0.972 7 N HN 0.616 nan 8.380 nan 0.000 0.435 8 W N -0.357 120.929 121.300 -0.023 0.000 2.808 8 W HA 0.398 5.058 4.660 -0.000 0.000 0.266 8 W C 0.232 176.739 176.519 -0.019 0.000 1.247 8 W CA -0.536 56.798 57.345 -0.018 0.000 1.440 8 W CB 0.408 29.859 29.460 -0.016 0.000 1.040 8 W HN -0.136 nan 8.180 nan 0.000 0.606 9 L N -0.213 121.101 121.223 0.152 0.000 2.256 9 L HA 0.634 4.974 4.340 -0.000 0.000 0.261 9 L C -0.574 176.308 176.870 0.020 0.000 1.022 9 L CA -1.341 53.552 54.840 0.089 0.000 0.828 9 L CB 1.768 43.876 42.059 0.082 0.000 1.374 9 L HN -0.337 nan 8.230 nan 0.000 0.436 10 I N -0.166 120.407 120.570 0.005 0.000 2.646 10 I HA 0.236 4.406 4.170 -0.000 0.000 0.299 10 I C -0.409 175.682 176.117 -0.042 0.000 1.036 10 I CA -0.827 60.454 61.300 -0.032 0.000 1.074 10 I CB 1.853 39.837 38.000 -0.026 0.000 1.258 10 I HN 0.470 nan 8.210 nan 0.000 0.430 11 Q N 4.581 124.338 119.800 -0.072 0.000 2.348 11 Q HA 0.018 4.358 4.340 -0.000 0.000 0.331 11 Q C -2.257 173.710 176.000 -0.056 0.000 1.099 11 Q CA -0.920 54.840 55.803 -0.071 0.000 1.021 11 Q CB -0.317 28.359 28.738 -0.103 0.000 1.166 11 Q HN 0.216 nan 8.270 nan 0.000 0.393 12 P HA 0.008 nan 4.420 nan 0.000 0.265 12 P C 0.605 177.885 177.300 -0.035 0.000 1.193 12 P CA 1.013 64.095 63.100 -0.031 0.000 0.765 12 P CB 0.440 32.125 31.700 -0.025 0.000 0.823 13 G N 2.062 110.845 108.800 -0.029 0.000 2.179 13 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 13 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 13 G C -0.130 174.747 174.900 -0.039 0.000 0.977 13 G CA -0.331 44.752 45.100 -0.029 0.000 0.641 13 G HN 0.460 nan 8.290 nan 0.000 0.533 14 L N 0.905 122.096 121.223 -0.053 0.000 2.275 14 L HA 0.459 4.799 4.340 -0.000 0.000 0.288 14 L C -0.511 176.321 176.870 -0.064 0.000 1.046 14 L CA -0.868 53.929 54.840 -0.072 0.000 0.805 14 L CB 1.149 43.146 42.059 -0.104 0.000 1.193 14 L HN -0.004 nan 8.230 nan 0.000 0.426 15 N N 4.900 123.556 118.700 -0.072 0.000 2.424 15 N HA 0.540 5.280 4.740 -0.000 0.000 0.271 15 N C -0.813 174.644 175.510 -0.089 0.000 0.985 15 N CA -0.357 52.656 53.050 -0.062 0.000 0.921 15 N CB 2.336 40.796 38.487 -0.045 0.000 1.149 15 N HN 0.430 nan 8.380 nan 0.000 0.492 16 L N 3.014 124.185 121.223 -0.087 0.000 2.317 16 L HA 0.649 4.989 4.340 -0.000 0.000 0.281 16 L C 0.217 176.943 176.870 -0.240 0.000 1.024 16 L CA -1.044 53.701 54.840 -0.158 0.000 0.810 16 L CB 1.326 43.304 42.059 -0.135 0.000 1.240 16 L HN 0.435 nan 8.230 nan 0.000 0.427 17 I N -1.442 118.978 120.570 -0.249 0.000 2.730 17 I HA 0.589 4.759 4.170 -0.000 0.000 0.298 17 I C -1.023 174.951 176.117 -0.239 0.000 1.089 17 I CA -0.648 60.535 61.300 -0.195 0.000 1.041 17 I CB 2.438 40.456 38.000 0.030 0.000 1.235 17 I HN 0.473 nan 8.210 nan 0.000 0.423 18 H N 2.884 122.036 119.070 0.137 0.000 2.768 18 H HA 0.469 5.025 4.556 -0.000 0.000 0.371 18 H C -2.713 172.407 175.328 -0.347 0.000 1.151 18 H CA -2.037 53.892 56.048 -0.199 0.000 1.165 18 H CB 2.342 31.989 29.762 -0.192 0.000 1.722 18 H HN 0.420 nan 8.280 nan 0.000 0.543 19 P HA 0.114 nan 4.420 nan 0.000 0.276 19 P C 0.397 176.976 177.300 -1.202 0.000 1.264 19 P CA 0.060 62.647 63.100 -0.856 0.000 0.769 19 P CB 0.940 31.979 31.700 -1.102 0.000 0.840 20 L N 1.694 122.505 121.223 -0.685 0.000 2.840 20 L HA 0.291 4.631 4.340 -0.000 0.000 0.249 20 L C 0.954 177.829 176.870 0.009 0.000 1.119 20 L CA 0.355 54.953 54.840 -0.402 0.000 0.930 20 L CB 0.567 42.542 42.059 -0.139 0.000 1.295 20 L HN 0.416 nan 8.230 nan 0.000 0.534 21 Q N 0.663 120.534 119.800 0.118 0.000 2.295 21 Q HA 0.326 4.666 4.340 -0.000 0.000 0.268 21 Q C -1.454 174.819 176.000 0.455 0.000 1.010 21 Q CA -0.321 55.687 55.803 0.341 0.000 0.856 21 Q CB 3.420 32.265 28.738 0.179 0.000 1.349 21 Q HN -0.155 nan 8.270 nan 0.000 0.412 22 V N 5.222 125.426 119.914 0.482 0.000 2.521 22 V HA 0.048 4.168 4.120 -0.000 0.000 0.286 22 V C 0.458 176.759 176.094 0.345 0.000 1.034 22 V CA 0.667 63.215 62.300 0.414 0.000 1.045 22 V CB 0.473 32.438 31.823 0.237 0.000 0.974 22 V HN 0.833 nan 8.190 nan 0.000 0.480 23 F N 3.561 123.652 119.950 0.235 0.000 2.383 23 F HA 0.371 4.898 4.527 -0.000 0.000 0.287 23 F C 0.939 176.834 175.800 0.159 0.000 1.069 23 F CA 0.537 58.640 58.000 0.171 0.000 1.402 23 F CB 0.592 39.686 39.000 0.156 0.000 1.116 23 F HN 0.524 nan 8.300 nan 0.000 0.549 24 E N 0.344 120.658 120.200 0.190 0.000 2.372 24 E HA 0.468 4.818 4.350 -0.000 0.000 0.279 24 E C -1.882 174.880 176.600 0.271 0.000 0.946 24 E CA -0.759 55.683 56.400 0.069 0.000 0.769 24 E CB 2.602 32.307 29.700 0.009 0.000 1.230 24 E HN -0.130 nan 8.360 nan 0.000 0.442 25 V N 2.719 122.730 119.914 0.162 0.000 2.555 25 V HA 0.478 4.598 4.120 -0.000 0.000 0.302 25 V C -0.515 175.678 176.094 0.166 0.000 1.038 25 V CA -0.600 61.802 62.300 0.171 0.000 0.887 25 V CB 1.704 33.586 31.823 0.098 0.000 0.991 25 V HN 0.661 nan 8.190 nan 0.000 0.434 26 E N 3.236 123.551 120.200 0.192 0.000 2.260 26 E HA 0.350 4.700 4.350 -0.000 0.000 0.266 26 E C -0.916 175.767 176.600 0.137 0.000 0.887 26 E CA -0.635 55.869 56.400 0.172 0.000 0.777 26 E CB 1.858 31.712 29.700 0.257 0.000 1.205 26 E HN 0.787 nan 8.360 nan 0.000 0.414 27 Q N 4.186 124.052 119.800 0.110 0.000 2.307 27 Q HA 0.141 4.481 4.340 -0.000 0.000 0.259 27 Q C -0.914 175.144 176.000 0.098 0.000 0.998 27 Q CA -0.111 55.758 55.803 0.109 0.000 0.923 27 Q CB 0.912 29.705 28.738 0.092 0.000 1.196 27 Q HN 0.456 nan 8.270 nan 0.000 0.416 28 Q N 4.437 124.299 119.800 0.102 0.000 2.506 28 Q HA 0.130 4.470 4.340 -0.000 0.000 0.242 28 Q C -0.678 175.371 176.000 0.082 0.000 1.060 28 Q CA -0.461 55.391 55.803 0.081 0.000 0.826 28 Q CB 1.034 29.812 28.738 0.067 0.000 1.169 28 Q HN 0.969 nan 8.270 nan 0.000 0.521 29 D N 2.734 123.177 120.400 0.072 0.000 4.072 29 D HA -0.296 4.344 4.640 -0.000 0.000 0.146 29 D C 0.350 176.711 176.300 0.101 0.000 0.777 29 D CA 2.456 56.499 54.000 0.072 0.000 1.099 29 D CB -0.695 40.142 40.800 0.060 0.000 0.497 29 D HN 0.713 nan 8.370 nan 0.000 0.483 30 N N 1.577 120.352 118.700 0.125 0.000 2.320 30 N HA 0.118 4.858 4.740 -0.000 0.000 0.237 30 N C -0.664 175.042 175.510 0.326 0.000 1.129 30 N CA 0.126 53.286 53.050 0.183 0.000 0.854 30 N CB 0.083 38.659 38.487 0.147 0.000 1.083 30 N HN 0.548 nan 8.380 nan 0.000 0.504 31 E N 0.414 120.772 120.200 0.264 0.000 2.266 31 E HA 0.334 4.684 4.350 -0.000 0.000 0.268 31 E C -1.068 175.671 176.600 0.232 0.000 0.879 31 E CA -0.650 55.904 56.400 0.257 0.000 0.762 31 E CB 2.622 32.400 29.700 0.130 0.000 1.199 31 E HN 0.104 nan 8.360 nan 0.000 0.422 32 M N 3.217 122.960 119.600 0.237 0.000 2.167 32 M HA 0.351 4.831 4.480 -0.000 0.000 0.333 32 M C -1.594 174.836 176.300 0.217 0.000 1.030 32 M CA -0.816 54.628 55.300 0.239 0.000 0.963 32 M CB 1.161 33.936 32.600 0.291 0.000 1.589 32 M HN 0.275 nan 8.290 nan 0.000 0.431 33 V N 5.759 125.754 119.914 0.134 0.000 2.394 33 V HA 0.488 4.608 4.120 -0.000 0.000 0.282 33 V C -0.505 175.614 176.094 0.041 0.000 1.031 33 V CA -0.697 61.614 62.300 0.018 0.000 0.881 33 V CB 1.568 33.336 31.823 -0.093 0.000 0.982 33 V HN 0.651 nan 8.190 nan 0.000 0.451 34 V N 5.452 125.388 119.914 0.036 0.000 2.407 34 V HA 0.421 4.541 4.120 -0.000 0.000 0.291 34 V C -0.983 175.150 176.094 0.065 0.000 1.018 34 V CA -0.764 61.629 62.300 0.155 0.000 0.842 34 V CB 1.352 33.368 31.823 0.322 0.000 0.996 34 V HN 0.737 nan 8.190 nan 0.000 0.426 35 Y N 2.956 123.426 120.300 0.283 0.000 2.327 35 Y HA 0.681 5.231 4.550 -0.000 0.000 0.336 35 Y C 0.557 176.674 175.900 0.361 0.000 1.035 35 Y CA -0.295 57.986 58.100 0.302 0.000 1.165 35 Y CB 1.536 40.189 38.460 0.322 0.000 1.181 35 Y HN 0.706 nan 8.280 nan 0.000 0.494 36 A N 2.348 125.442 122.820 0.457 0.000 2.381 36 A HA 0.838 5.158 4.320 -0.000 0.000 0.299 36 A C -0.956 176.801 177.584 0.288 0.000 1.049 36 A CA -0.658 51.613 52.037 0.390 0.000 0.715 36 A CB 0.600 19.817 19.000 0.362 0.000 1.222 36 A HN 0.805 nan 8.150 nan 0.000 0.428 37 A N 3.544 126.491 122.820 0.213 0.000 2.304 37 A HA 0.792 5.112 4.320 -0.000 0.000 0.301 37 A C -1.903 175.732 177.584 0.085 0.000 1.132 37 A CA -1.673 50.441 52.037 0.128 0.000 0.819 37 A CB 0.446 19.503 19.000 0.095 0.000 1.094 37 A HN 0.531 nan 8.150 nan 0.000 0.492 38 P HA 0.108 nan 4.420 nan 0.000 0.253 38 P C -0.201 177.102 177.300 0.005 0.000 1.260 38 P CA 0.368 63.512 63.100 0.073 0.000 0.800 38 P CB -0.119 31.643 31.700 0.103 0.000 1.162 39 R N -2.662 117.826 120.500 -0.022 0.000 2.741 39 R HA 0.450 4.790 4.340 -0.000 0.000 0.274 39 R C -1.356 174.892 176.300 -0.086 0.000 1.029 39 R CA -0.891 55.157 56.100 -0.087 0.000 0.880 39 R CB -0.560 29.646 30.300 -0.156 0.000 1.264 39 R HN -0.389 nan 8.270 nan 0.000 0.465 40 D N 1.164 121.463 120.400 -0.169 0.000 2.363 40 D HA 0.089 4.729 4.640 -0.000 0.000 0.263 40 D C 0.468 176.727 176.300 -0.068 0.000 1.258 40 D CA -0.057 53.868 54.000 -0.125 0.000 0.907 40 D CB 1.355 42.047 40.800 -0.179 0.000 1.107 40 D HN 0.512 nan 8.370 nan 0.000 0.495 41 V N 1.943 121.902 119.914 0.075 0.000 3.043 41 V HA 0.326 4.446 4.120 -0.000 0.000 0.357 41 V C 1.650 177.891 176.094 0.245 0.000 1.372 41 V CA -0.382 62.024 62.300 0.176 0.000 1.214 41 V CB -0.153 31.746 31.823 0.127 0.000 1.224 41 V HN 0.337 nan 8.190 nan 0.000 0.507 42 R N 0.619 121.234 120.500 0.192 0.000 2.115 42 R HA 0.066 4.406 4.340 -0.000 0.000 0.230 42 R C 0.462 176.873 176.300 0.186 0.000 1.111 42 R CA 1.015 57.219 56.100 0.174 0.000 0.976 42 R CB 0.173 30.539 30.300 0.109 0.000 0.870 42 R HN 0.600 nan 8.270 nan 0.000 0.445 43 E N 0.350 120.690 120.200 0.233 0.000 2.231 43 E HA 0.124 4.474 4.350 -0.000 0.000 0.277 43 E C 0.634 177.337 176.600 0.173 0.000 0.999 43 E CA -0.339 56.180 56.400 0.199 0.000 0.827 43 E CB 1.045 30.881 29.700 0.227 0.000 1.101 43 E HN 0.062 nan 8.360 nan 0.000 0.393 44 R N 0.540 121.097 120.500 0.094 0.000 2.127 44 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 44 R C 1.876 178.174 176.300 -0.003 0.000 1.134 44 R CA 1.362 57.497 56.100 0.058 0.000 0.975 44 R CB -0.444 29.876 30.300 0.032 0.000 0.865 44 R HN 0.477 nan 8.270 nan 0.000 0.447 45 T N -0.610 113.891 114.554 -0.089 0.000 2.929 45 T HA -0.122 4.228 4.350 -0.000 0.000 0.271 45 T C 0.945 175.432 174.700 -0.355 0.000 1.085 45 T CA 0.963 62.896 62.100 -0.278 0.000 1.125 45 T CB -0.113 68.494 68.868 -0.436 0.000 0.874 45 T HN 0.458 nan 8.240 nan 0.000 0.494 46 W N 1.015 122.316 121.300 0.002 0.000 3.278 46 W HA 0.330 4.990 4.660 -0.000 0.000 0.308 46 W C 1.274 177.773 176.519 -0.034 0.000 1.253 46 W CA -0.683 56.657 57.345 -0.008 0.000 1.759 46 W CB 0.302 29.765 29.460 0.005 0.000 1.093 46 W HN 0.156 nan 8.180 nan 0.000 0.648 47 Q N 1.649 121.517 119.800 0.114 0.000 2.938 47 Q HA 0.280 4.620 4.340 -0.000 0.000 0.343 47 Q C -0.820 175.155 176.000 -0.041 0.000 1.185 47 Q CA 0.079 55.880 55.803 -0.003 0.000 0.939 47 Q CB -0.477 28.247 28.738 -0.023 0.000 1.480 47 Q HN 0.174 nan 8.270 nan 0.000 0.442 48 L N -5.213 116.009 121.223 -0.002 0.000 2.992 48 L HA 0.395 4.735 4.340 -0.000 0.000 0.252 48 L C -1.180 175.704 176.870 0.025 0.000 0.983 48 L CA -1.096 53.734 54.840 -0.016 0.000 1.005 48 L CB 0.945 42.986 42.059 -0.030 0.000 1.506 48 L HN -0.127 nan 8.230 nan 0.000 0.414 49 D N -0.294 120.116 120.400 0.016 0.000 2.699 49 D HA -0.120 4.520 4.640 -0.000 0.000 0.239 49 D C -0.229 176.108 176.300 0.062 0.000 1.136 49 D CA 1.833 55.858 54.000 0.041 0.000 0.668 49 D CB -0.661 40.170 40.800 0.050 0.000 1.060 49 D HN 1.069 nan 8.370 nan 0.000 0.429 50 T N -1.098 113.475 114.554 0.032 0.000 2.982 50 T HA 0.506 4.856 4.350 -0.000 0.000 0.321 50 T C -2.540 172.151 174.700 -0.015 0.000 1.229 50 T CA -1.240 60.872 62.100 0.020 0.000 1.044 50 T CB 1.658 70.543 68.868 0.027 0.000 1.184 50 T HN -0.241 nan 8.240 nan 0.000 0.477 51 P HA 0.437 nan 4.420 nan 0.000 0.271 51 P C -1.240 175.972 177.300 -0.147 0.000 1.238 51 P CA -0.707 62.326 63.100 -0.112 0.000 0.794 51 P CB 0.380 31.952 31.700 -0.213 0.000 0.959 52 L N 1.212 122.302 121.223 -0.222 0.000 2.543 52 L HA 0.388 4.728 4.340 -0.000 0.000 0.265 52 L C -1.391 175.368 176.870 -0.185 0.000 0.945 52 L CA -0.550 54.215 54.840 -0.125 0.000 0.869 52 L CB 1.175 43.220 42.059 -0.023 0.000 1.294 52 L HN 0.301 nan 8.230 nan 0.000 0.405 53 F N 1.720 121.707 119.950 0.062 0.000 2.385 53 F HA 0.419 4.946 4.527 -0.000 0.000 0.336 53 F C 0.812 176.661 175.800 0.083 0.000 1.100 53 F CA -0.207 57.824 58.000 0.051 0.000 1.116 53 F CB 1.881 40.881 39.000 0.001 0.000 1.166 53 F HN 0.297 nan 8.300 nan 0.000 0.511 54 T N 4.970 119.648 114.554 0.206 0.000 2.772 54 T HA 0.550 4.900 4.350 -0.000 0.000 0.288 54 T C -0.565 174.133 174.700 -0.003 0.000 0.994 54 T CA -0.505 61.597 62.100 0.004 0.000 0.951 54 T CB 0.491 69.338 68.868 -0.034 0.000 0.933 54 T HN 0.168 nan 8.240 nan 0.000 0.447 55 L N 3.451 124.644 121.223 -0.049 0.000 2.307 55 L HA 0.598 4.938 4.340 -0.000 0.000 0.284 55 L C 0.365 177.089 176.870 -0.244 0.000 1.023 55 L CA -0.436 54.319 54.840 -0.142 0.000 0.810 55 L CB 1.306 43.349 42.059 -0.027 0.000 1.231 55 L HN 0.438 nan 8.230 nan 0.000 0.423 56 R N 2.935 123.213 120.500 -0.370 0.000 2.480 56 R HA 0.585 4.925 4.340 -0.000 0.000 0.306 56 R C -1.639 174.413 176.300 -0.414 0.000 0.958 56 R CA -0.481 55.468 56.100 -0.252 0.000 0.861 56 R CB 0.871 31.070 30.300 -0.169 0.000 1.171 56 R HN 0.379 nan 8.270 nan 0.000 0.445 57 F N 6.041 125.896 119.950 -0.158 0.000 2.436 57 F HA 0.511 5.038 4.527 -0.000 0.000 0.340 57 F C -0.234 175.152 175.800 -0.689 0.000 1.113 57 F CA -0.573 57.126 58.000 -0.502 0.000 1.022 57 F CB 1.216 39.820 39.000 -0.660 0.000 1.128 57 F HN 0.428 nan 8.300 nan 0.000 0.466 58 F N -0.299 119.219 119.950 -0.721 0.000 2.745 58 F HA 0.759 5.286 4.527 -0.000 0.000 0.316 58 F C -1.033 174.736 175.800 -0.052 0.000 1.155 58 F CA -1.656 56.117 58.000 -0.378 0.000 0.937 58 F CB 1.560 40.493 39.000 -0.111 0.000 1.361 58 F HN 0.217 nan 8.300 nan 0.000 0.472 59 S N 1.517 117.382 115.700 0.275 0.000 2.779 59 S HA 0.523 4.993 4.470 -0.000 0.000 0.293 59 S C -2.242 172.448 174.600 0.149 0.000 1.150 59 S CA -1.329 56.980 58.200 0.182 0.000 1.057 59 S CB 1.465 64.852 63.200 0.311 0.000 1.021 59 S HN 0.589 nan 8.310 nan 0.000 0.485 60 P HA 0.166 nan 4.420 nan 0.000 0.230 60 P C -0.358 176.860 177.300 -0.136 0.000 1.168 60 P CA 0.540 63.630 63.100 -0.017 0.000 0.793 60 P CB 0.350 31.955 31.700 -0.158 0.000 0.851 61 Q N -0.740 118.924 119.800 -0.226 0.000 2.482 61 Q HA 0.185 4.525 4.340 -0.000 0.000 0.286 61 Q C -0.515 175.407 176.000 -0.130 0.000 1.007 61 Q CA -0.679 55.012 55.803 -0.186 0.000 0.801 61 Q CB 1.553 30.119 28.738 -0.286 0.000 1.455 61 Q HN 0.009 nan 8.270 nan 0.000 0.398 62 E N 0.306 120.454 120.200 -0.087 0.000 2.585 62 E HA 0.105 4.455 4.350 -0.000 0.000 0.252 62 E C 0.460 177.016 176.600 -0.073 0.000 0.981 62 E CA 1.592 57.953 56.400 -0.065 0.000 0.943 62 E CB 0.092 29.760 29.700 -0.053 0.000 0.923 62 E HN 0.791 nan 8.360 nan 0.000 0.486 63 G N 4.335 113.105 108.800 -0.050 0.000 2.141 63 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.242 63 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.242 63 G C 0.232 175.109 174.900 -0.039 0.000 0.982 63 G CA 0.268 45.348 45.100 -0.033 0.000 0.662 63 G HN 0.529 nan 8.290 nan 0.000 0.527 64 I N 0.819 121.341 120.570 -0.080 0.000 2.389 64 I HA 0.473 4.643 4.170 -0.000 0.000 0.288 64 I C 0.003 176.105 176.117 -0.024 0.000 0.999 64 I CA -1.173 60.065 61.300 -0.103 0.000 1.129 64 I CB 2.152 39.943 38.000 -0.348 0.000 1.288 64 I HN -0.130 nan 8.210 nan 0.000 0.444 65 V N 5.474 125.410 119.914 0.037 0.000 2.347 65 V HA 0.466 4.586 4.120 -0.000 0.000 0.280 65 V C 0.721 176.717 176.094 -0.162 0.000 1.021 65 V CA -0.522 61.803 62.300 0.042 0.000 0.847 65 V CB 1.308 33.275 31.823 0.241 0.000 0.990 65 V HN 0.882 nan 8.190 nan 0.000 0.444 66 G N 3.754 112.220 108.800 -0.557 0.000 2.372 66 G HA2 0.532 4.492 3.960 -0.000 0.000 0.283 66 G HA3 0.532 4.492 3.960 -0.000 0.000 0.283 66 G C -0.811 173.486 174.900 -1.005 0.000 1.177 66 G CA -0.257 44.119 45.100 -1.208 0.000 0.842 66 G HN 0.562 nan 8.290 nan 0.000 0.503 67 V N 2.918 122.299 119.914 -0.888 0.000 2.443 67 V HA 0.450 4.570 4.120 -0.000 0.000 0.293 67 V C 0.094 175.853 176.094 -0.559 0.000 1.021 67 V CA -0.862 60.957 62.300 -0.802 0.000 0.848 67 V CB 1.456 32.709 31.823 -0.951 0.000 0.998 67 V HN 0.828 nan 8.190 nan 0.000 0.424 68 R N 5.354 125.658 120.500 -0.325 0.000 2.310 68 R HA 0.651 4.991 4.340 -0.000 0.000 0.324 68 R C -0.978 175.268 176.300 -0.090 0.000 0.955 68 R CA -0.484 55.561 56.100 -0.091 0.000 0.830 68 R CB 1.304 31.583 30.300 -0.035 0.000 1.154 68 R HN 0.819 nan 8.270 nan 0.000 0.458 69 I N 2.878 123.482 120.570 0.057 0.000 2.378 69 I HA 0.435 4.605 4.170 -0.000 0.000 0.291 69 I C -1.321 174.939 176.117 0.239 0.000 0.992 69 I CA -0.493 60.868 61.300 0.102 0.000 1.154 69 I CB 1.608 39.639 38.000 0.051 0.000 1.315 69 I HN 0.793 nan 8.210 nan 0.000 0.448 70 E N 6.559 126.913 120.200 0.257 0.000 2.256 70 E HA 0.272 4.622 4.350 -0.000 0.000 0.268 70 E C -0.930 175.810 176.600 0.234 0.000 0.877 70 E CA -0.562 55.993 56.400 0.259 0.000 0.757 70 E CB 1.612 31.399 29.700 0.145 0.000 1.183 70 E HN 0.799 nan 8.360 nan 0.000 0.418 71 H N 4.133 123.206 119.070 0.005 0.000 2.396 71 H HA 0.234 4.790 4.556 -0.000 0.000 0.330 71 H C -0.347 174.922 175.328 -0.097 0.000 1.271 71 H CA -0.017 55.830 56.048 -0.336 0.000 1.927 71 H CB 0.265 29.505 29.762 -0.869 0.000 1.537 71 H HN 0.382 nan 8.280 nan 0.000 0.627 72 F N 2.072 121.809 119.950 -0.354 0.000 2.404 72 F HA 0.202 4.729 4.527 -0.000 0.000 0.345 72 F C 1.270 177.011 175.800 -0.098 0.000 1.110 72 F CA -0.324 57.484 58.000 -0.320 0.000 1.130 72 F CB 1.552 40.388 39.000 -0.273 0.000 1.129 72 F HN 0.409 nan 8.300 nan 0.000 0.500 73 Q N 1.708 121.558 119.800 0.082 0.000 2.403 73 Q HA 0.088 4.428 4.340 -0.000 0.000 0.203 73 Q C 1.966 177.972 176.000 0.011 0.000 0.932 73 Q CA 0.472 56.293 55.803 0.030 0.000 0.945 73 Q CB 0.273 29.006 28.738 -0.009 0.000 1.045 73 Q HN 1.001 nan 8.270 nan 0.000 0.511 74 G N 0.523 109.317 108.800 -0.011 0.000 2.650 74 G HA2 0.138 4.098 3.960 -0.000 0.000 0.214 74 G HA3 0.138 4.098 3.960 -0.000 0.000 0.214 74 G C 0.586 175.493 174.900 0.011 0.000 1.136 74 G CA 0.372 45.448 45.100 -0.040 0.000 0.789 74 G HN 0.369 nan 8.290 nan 0.000 0.536 75 A N -0.207 122.657 122.820 0.074 0.000 2.409 75 A HA 0.461 4.781 4.320 -0.000 0.000 0.246 75 A C 1.553 179.189 177.584 0.087 0.000 1.099 75 A CA -0.252 51.846 52.037 0.103 0.000 0.789 75 A CB 0.335 19.436 19.000 0.169 0.000 1.053 75 A HN 0.181 nan 8.150 nan 0.000 0.503 76 L N 0.087 121.365 121.223 0.091 0.000 2.027 76 L HA -0.121 4.219 4.340 -0.000 0.000 0.206 76 L C 0.435 177.364 176.870 0.098 0.000 1.074 76 L CA 1.314 56.202 54.840 0.080 0.000 0.745 76 L CB -0.749 41.355 42.059 0.074 0.000 0.898 76 L HN 0.922 nan 8.230 nan 0.000 0.433 77 N N 1.440 120.225 118.700 0.142 0.000 2.614 77 N HA -0.175 4.565 4.740 -0.000 0.000 0.276 77 N C -0.649 174.955 175.510 0.157 0.000 1.119 77 N CA -0.141 53.022 53.050 0.187 0.000 0.742 77 N CB -1.014 37.585 38.487 0.186 0.000 0.900 77 N HN 0.373 nan 8.380 nan 0.000 0.549 78 N N 0.288 119.054 118.700 0.110 0.000 2.476 78 N HA 0.358 5.098 4.740 -0.000 0.000 0.275 78 N C 1.068 176.518 175.510 -0.101 0.000 1.190 78 N CA -0.040 53.038 53.050 0.047 0.000 0.977 78 N CB 0.861 39.368 38.487 0.034 0.000 1.200 78 N HN 0.380 nan 8.380 nan 0.000 0.515 79 G N 0.524 109.168 108.800 -0.259 0.000 2.631 79 G HA2 0.197 4.157 3.960 -0.000 0.000 0.271 79 G HA3 0.197 4.157 3.960 -0.000 0.000 0.271 79 G C -2.299 172.392 174.900 -0.350 0.000 1.302 79 G CA -0.475 44.254 45.100 -0.619 0.000 1.002 79 G HN 0.337 nan 8.290 nan 0.000 0.519 80 P HA 0.226 nan 4.420 nan 0.000 0.276 80 P C -0.900 175.940 177.300 -0.766 0.000 1.252 80 P CA -0.180 62.590 63.100 -0.550 0.000 0.802 80 P CB 1.081 32.456 31.700 -0.543 0.000 1.035 81 H N -0.591 118.287 119.070 -0.320 0.000 2.621 81 H HA 0.284 4.840 4.556 -0.000 0.000 0.360 81 H C 0.134 175.272 175.328 -0.316 0.000 1.163 81 H CA -0.350 55.531 56.048 -0.279 0.000 1.194 81 H CB 0.260 29.948 29.762 -0.124 0.000 1.649 81 H HN 0.347 nan 8.280 nan 0.000 0.532 82 Y N 2.074 122.307 120.300 -0.112 0.000 2.788 82 Y HA -0.018 4.532 4.550 -0.000 0.000 0.341 82 Y C -1.357 174.400 175.900 -0.239 0.000 1.258 82 Y CA -1.591 56.392 58.100 -0.195 0.000 1.503 82 Y CB -0.062 38.310 38.460 -0.147 0.000 1.325 82 Y HN 0.367 nan 8.280 nan 0.000 0.614 83 P HA 0.064 nan 4.420 nan 0.000 0.226 83 P C -0.775 176.354 177.300 -0.285 0.000 1.783 83 P CA -0.075 62.890 63.100 -0.225 0.000 0.980 83 P CB -0.230 31.240 31.700 -0.383 0.000 1.967 84 L N 2.270 123.322 121.223 -0.284 0.000 2.380 84 L HA 0.184 4.524 4.340 -0.000 0.000 0.273 84 L C 0.921 177.652 176.870 -0.232 0.000 1.138 84 L CA 0.299 54.851 54.840 -0.480 0.000 0.832 84 L CB -0.252 41.529 42.059 -0.463 0.000 1.124 84 L HN 0.103 nan 8.230 nan 0.000 0.454 85 N N 5.202 123.793 118.700 -0.181 0.000 2.439 85 N HA 0.277 5.017 4.740 -0.000 0.000 0.243 85 N C -0.557 175.042 175.510 0.148 0.000 1.088 85 N CA 0.046 53.097 53.050 0.001 0.000 0.940 85 N CB 0.701 39.180 38.487 -0.013 0.000 1.180 85 N HN 0.421 nan 8.380 nan 0.000 0.505 86 I N 3.557 124.193 120.570 0.111 0.000 2.354 86 I HA 0.268 4.438 4.170 -0.000 0.000 0.286 86 I C 0.139 176.310 176.117 0.091 0.000 1.007 86 I CA -0.692 60.698 61.300 0.150 0.000 1.167 86 I CB 1.069 39.179 38.000 0.183 0.000 1.320 86 I HN 0.105 nan 8.210 nan 0.000 0.458 87 L N 5.867 127.135 121.223 0.075 0.000 2.395 87 L HA 0.309 4.649 4.340 -0.000 0.000 0.269 87 L C 1.049 177.965 176.870 0.078 0.000 1.133 87 L CA -0.570 54.304 54.840 0.056 0.000 0.812 87 L CB 0.526 42.604 42.059 0.032 0.000 1.125 87 L HN 0.561 nan 8.230 nan 0.000 0.452 88 Q N 1.522 121.359 119.800 0.062 0.000 2.356 88 Q HA 0.017 4.357 4.340 -0.000 0.000 0.205 88 Q C -0.052 175.990 176.000 0.070 0.000 0.901 88 Q CA 0.397 56.241 55.803 0.068 0.000 0.938 88 Q CB 0.397 29.162 28.738 0.046 0.000 1.081 88 Q HN 0.805 nan 8.270 nan 0.000 0.517 89 D N -1.245 119.191 120.400 0.059 0.000 2.760 89 D HA 0.070 4.710 4.640 -0.000 0.000 0.314 89 D C 0.006 176.330 176.300 0.039 0.000 1.464 89 D CA -0.382 53.647 54.000 0.048 0.000 0.797 89 D CB -0.173 40.645 40.800 0.031 0.000 1.149 89 D HN -0.262 nan 8.370 nan 0.000 0.455 90 V N 1.013 120.958 119.914 0.051 0.000 2.673 90 V HA -0.028 4.092 4.120 -0.000 0.000 0.303 90 V C 0.951 177.057 176.094 0.019 0.000 1.046 90 V CA -0.073 62.246 62.300 0.031 0.000 1.126 90 V CB 0.723 32.570 31.823 0.041 0.000 0.934 90 V HN 0.172 nan 8.190 nan 0.000 0.487 91 K N 4.085 124.478 120.400 -0.011 0.000 2.379 91 K HA 0.463 4.783 4.320 -0.000 0.000 0.284 91 K C -0.571 175.982 176.600 -0.078 0.000 1.044 91 K CA -0.273 55.993 56.287 -0.035 0.000 0.974 91 K CB 0.737 33.214 32.500 -0.039 0.000 0.962 91 K HN 0.663 nan 8.250 nan 0.000 0.474 92 V N 0.021 119.866 119.914 -0.114 0.000 3.159 92 V HA 0.604 4.724 4.120 -0.000 0.000 0.308 92 V C -0.815 175.134 176.094 -0.240 0.000 1.190 92 V CA -0.821 61.324 62.300 -0.259 0.000 1.037 92 V CB 2.082 33.663 31.823 -0.405 0.000 1.060 92 V HN 0.664 nan 8.190 nan 0.000 0.437 93 T N 2.803 117.157 114.554 -0.334 0.000 2.824 93 T HA 0.756 5.106 4.350 -0.000 0.000 0.282 93 T C -0.714 173.824 174.700 -0.269 0.000 0.993 93 T CA -0.074 61.889 62.100 -0.228 0.000 0.967 93 T CB 1.172 69.933 68.868 -0.178 0.000 0.960 93 T HN 0.675 nan 8.240 nan 0.000 0.441 94 I N 3.156 123.645 120.570 -0.135 0.000 2.410 94 I HA 0.327 4.497 4.170 -0.000 0.000 0.286 94 I C -0.276 175.820 176.117 -0.035 0.000 1.009 94 I CA -0.578 60.686 61.300 -0.059 0.000 1.111 94 I CB 1.669 39.696 38.000 0.046 0.000 1.262 94 I HN 0.565 nan 8.210 nan 0.000 0.443 95 E N 4.975 125.151 120.200 -0.040 0.000 2.145 95 E HA 0.271 4.621 4.350 -0.000 0.000 0.262 95 E C -0.802 175.795 176.600 -0.006 0.000 0.883 95 E CA -0.680 55.706 56.400 -0.024 0.000 0.748 95 E CB 1.347 31.028 29.700 -0.032 0.000 1.140 95 E HN 0.299 nan 8.360 nan 0.000 0.417 96 N N 3.078 121.780 118.700 0.004 0.000 2.707 96 N HA 0.104 4.844 4.740 -0.000 0.000 0.235 96 N C -0.980 174.532 175.510 0.002 0.000 1.028 96 N CA -0.221 52.834 53.050 0.008 0.000 0.906 96 N CB 0.691 39.189 38.487 0.019 0.000 1.131 96 N HN 0.515 nan 8.380 nan 0.000 0.509 97 T N -0.543 114.013 114.554 0.003 0.000 2.889 97 T HA 0.324 4.674 4.350 -0.000 0.000 0.278 97 T C 1.043 175.717 174.700 -0.043 0.000 0.995 97 T CA -0.468 61.624 62.100 -0.014 0.000 0.966 97 T CB 1.077 69.944 68.868 -0.002 0.000 1.237 97 T HN 0.258 nan 8.240 nan 0.000 0.591 98 E N -0.360 119.802 120.200 -0.063 0.000 2.204 98 E HA -0.034 4.316 4.350 -0.000 0.000 0.194 98 E C 2.192 178.708 176.600 -0.140 0.000 0.989 98 E CA 1.194 57.544 56.400 -0.083 0.000 0.824 98 E CB 0.025 29.681 29.700 -0.073 0.000 0.756 98 E HN 0.587 nan 8.360 nan 0.000 0.477 99 R N -1.873 118.490 120.500 -0.229 0.000 2.225 99 R HA 0.196 4.536 4.340 -0.000 0.000 0.194 99 R C -0.216 175.751 176.300 -0.555 0.000 0.957 99 R CA 0.294 56.110 56.100 -0.475 0.000 1.042 99 R CB 0.580 30.430 30.300 -0.751 0.000 1.004 99 R HN 0.108 nan 8.270 nan 0.000 0.509 100 Y N -1.361 118.891 120.300 -0.080 0.000 2.588 100 Y HA 0.582 5.132 4.550 -0.000 0.000 0.343 100 Y C -0.823 175.004 175.900 -0.121 0.000 1.065 100 Y CA -1.526 56.501 58.100 -0.121 0.000 1.038 100 Y CB 2.111 40.493 38.460 -0.128 0.000 1.297 100 Y HN -0.170 nan 8.280 nan 0.000 0.467 101 A N 1.931 124.762 122.820 0.018 0.000 2.311 101 A HA 0.611 4.931 4.320 -0.000 0.000 0.306 101 A C -1.179 176.304 177.584 -0.169 0.000 1.189 101 A CA -0.534 51.464 52.037 -0.064 0.000 0.791 101 A CB 0.996 19.947 19.000 -0.081 0.000 1.172 101 A HN 0.757 nan 8.150 nan 0.000 0.481 102 E N 2.111 122.233 120.200 -0.130 0.000 2.224 102 E HA 0.565 4.915 4.350 -0.000 0.000 0.265 102 E C -1.872 174.667 176.600 -0.102 0.000 0.878 102 E CA -0.474 55.820 56.400 -0.177 0.000 0.759 102 E CB 1.322 30.923 29.700 -0.164 0.000 1.164 102 E HN 0.571 nan 8.360 nan 0.000 0.414 103 F N 4.305 124.087 119.950 -0.280 0.000 2.467 103 F HA 0.494 5.021 4.527 -0.000 0.000 0.336 103 F C -1.024 174.709 175.800 -0.111 0.000 1.123 103 F CA -0.647 57.255 58.000 -0.164 0.000 0.964 103 F CB 1.053 39.963 39.000 -0.151 0.000 1.136 103 F HN 0.262 nan 8.300 nan 0.000 0.447 104 K N 4.443 124.444 120.400 -0.664 0.000 2.397 104 K HA 0.572 4.892 4.320 -0.000 0.000 0.253 104 K C -1.644 174.674 176.600 -0.471 0.000 0.932 104 K CA -0.644 55.409 56.287 -0.390 0.000 0.795 104 K CB 1.876 34.233 32.500 -0.240 0.000 1.159 104 K HN 0.607 nan 8.250 nan 0.000 0.424 105 S N 2.796 118.371 115.700 -0.208 0.000 2.647 105 S HA 0.590 5.060 4.470 -0.000 0.000 0.300 105 S C 0.345 174.905 174.600 -0.067 0.000 1.129 105 S CA 0.401 58.526 58.200 -0.126 0.000 1.029 105 S CB 0.966 64.163 63.200 -0.005 0.000 1.007 105 S HN 1.036 nan 8.310 nan 0.000 0.484 106 G N 5.228 113.984 108.800 -0.073 0.000 2.685 106 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.329 106 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.329 106 G C 0.535 175.403 174.900 -0.053 0.000 1.271 106 G CA 0.789 45.856 45.100 -0.055 0.000 1.003 106 G HN 0.719 nan 8.290 nan 0.000 0.549 107 N N 0.377 119.056 118.700 -0.035 0.000 2.336 107 N HA 0.228 4.968 4.740 -0.000 0.000 0.189 107 N C 0.187 175.684 175.510 -0.022 0.000 1.113 107 N CA 0.326 53.358 53.050 -0.030 0.000 0.858 107 N CB 0.493 38.969 38.487 -0.019 0.000 0.970 107 N HN 0.418 nan 8.380 nan 0.000 0.471 108 L N 1.013 122.229 121.223 -0.012 0.000 2.313 108 L HA 0.436 4.776 4.340 -0.000 0.000 0.283 108 L C -0.169 176.719 176.870 0.030 0.000 1.013 108 L CA -0.504 54.350 54.840 0.023 0.000 0.816 108 L CB 1.517 43.606 42.059 0.050 0.000 1.236 108 L HN -0.011 nan 8.230 nan 0.000 0.419 109 S N 3.581 119.299 115.700 0.031 0.000 2.599 109 S HA 0.971 5.441 4.470 -0.000 0.000 0.294 109 S C -0.579 174.052 174.600 0.053 0.000 1.094 109 S CA -0.475 57.738 58.200 0.021 0.000 0.931 109 S CB 1.731 64.877 63.200 -0.089 0.000 1.093 109 S HN 0.995 nan 8.310 nan 0.000 0.488 110 A N 1.431 124.259 122.820 0.012 0.000 2.304 110 A HA 0.800 5.120 4.320 -0.000 0.000 0.323 110 A C -0.121 177.194 177.584 -0.448 0.000 1.195 110 A CA -0.824 51.043 52.037 -0.283 0.000 0.826 110 A CB 0.770 19.667 19.000 -0.171 0.000 1.184 110 A HN 0.858 nan 8.150 nan 0.000 0.496 111 R N 2.390 122.575 120.500 -0.526 0.000 2.513 111 R HA 0.590 4.930 4.340 -0.000 0.000 0.301 111 R C -1.862 174.144 176.300 -0.490 0.000 0.968 111 R CA -0.368 55.443 56.100 -0.481 0.000 0.872 111 R CB 1.760 31.773 30.300 -0.478 0.000 1.177 111 R HN 0.501 nan 8.270 nan 0.000 0.444 112 V N 3.107 122.753 119.914 -0.447 0.000 2.398 112 V HA 0.311 4.431 4.120 -0.000 0.000 0.286 112 V C -0.117 175.815 176.094 -0.270 0.000 1.026 112 V CA -0.665 61.338 62.300 -0.496 0.000 0.868 112 V CB 1.782 33.282 31.823 -0.538 0.000 0.982 112 V HN 0.783 nan 8.190 nan 0.000 0.443 113 S N 5.038 120.571 115.700 -0.279 0.000 2.489 113 S HA 0.361 4.831 4.470 -0.000 0.000 0.277 113 S C 0.136 174.666 174.600 -0.117 0.000 1.230 113 S CA -0.723 57.461 58.200 -0.027 0.000 1.053 113 S CB 0.498 63.723 63.200 0.042 0.000 0.955 113 S HN 0.646 nan 8.310 nan 0.000 0.488 114 K N 1.684 122.039 120.400 -0.074 0.000 2.118 114 K HA 0.565 4.885 4.320 -0.000 0.000 0.240 114 K C 1.100 177.695 176.600 -0.008 0.000 1.035 114 K CA -0.026 56.244 56.287 -0.028 0.000 0.899 114 K CB 0.138 32.610 32.500 -0.047 0.000 1.085 114 K HN 0.844 nan 8.250 nan 0.000 0.498 115 G N 0.819 109.630 108.800 0.018 0.000 2.542 115 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.235 115 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.235 115 G C 0.670 175.553 174.900 -0.028 0.000 1.286 115 G CA 0.461 45.557 45.100 -0.007 0.000 0.904 115 G HN 0.808 nan 8.290 nan 0.000 0.577 116 E N -0.648 119.456 120.200 -0.160 0.000 2.150 116 E HA 0.051 4.401 4.350 -0.000 0.000 0.193 116 E C 0.442 176.730 176.600 -0.520 0.000 0.985 116 E CA 0.904 57.051 56.400 -0.422 0.000 0.814 116 E CB -0.067 29.203 29.700 -0.717 0.000 0.752 116 E HN 0.342 nan 8.360 nan 0.000 0.466 117 F N 1.338 121.339 119.950 0.084 0.000 2.307 117 F HA 0.216 4.743 4.527 -0.000 0.000 0.369 117 F C -0.110 175.774 175.800 0.140 0.000 1.076 117 F CA -1.123 56.939 58.000 0.103 0.000 1.149 117 F CB 0.322 39.356 39.000 0.058 0.000 1.410 117 F HN 0.086 nan 8.300 nan 0.000 0.481 118 W N 3.412 124.783 121.300 0.119 0.000 2.257 118 W HA 0.343 5.003 4.660 -0.000 0.000 0.337 118 W C -0.672 175.900 176.519 0.087 0.000 1.321 118 W CA 0.565 57.960 57.345 0.085 0.000 1.267 118 W CB 1.212 30.701 29.460 0.047 0.000 1.187 118 W HN 0.424 nan 8.180 nan 0.000 0.565 119 S N 6.552 121.967 115.700 -0.475 0.000 2.533 119 S HA 0.529 4.999 4.470 -0.000 0.000 0.271 119 S C -1.624 172.629 174.600 -0.579 0.000 1.143 119 S CA -0.850 57.169 58.200 -0.301 0.000 0.891 119 S CB 1.098 64.234 63.200 -0.107 0.000 1.105 119 S HN 0.534 nan 8.310 nan 0.000 0.468 120 L N 4.163 125.202 121.223 -0.306 0.000 2.343 120 L HA 0.649 4.989 4.340 -0.000 0.000 0.278 120 L C -1.543 175.113 176.870 -0.358 0.000 0.996 120 L CA -0.355 54.287 54.840 -0.330 0.000 0.831 120 L CB 0.996 43.015 42.059 -0.067 0.000 1.232 120 L HN 0.662 nan 8.230 nan 0.000 0.413 121 D N 4.638 124.724 120.400 -0.524 0.000 2.457 121 D HA 0.392 5.032 4.640 -0.000 0.000 0.240 121 D C -1.217 174.642 176.300 -0.734 0.000 1.041 121 D CA -0.102 53.620 54.000 -0.463 0.000 0.861 121 D CB 2.389 43.010 40.800 -0.299 0.000 1.394 121 D HN 0.204 nan 8.370 nan 0.000 0.473 122 F N 1.421 121.318 119.950 -0.089 0.000 2.426 122 F HA 0.329 4.856 4.527 -0.000 0.000 0.348 122 F C -0.090 175.635 175.800 -0.125 0.000 1.124 122 F CA -0.832 57.109 58.000 -0.099 0.000 1.008 122 F CB 1.090 40.027 39.000 -0.105 0.000 1.139 122 F HN -0.057 nan 8.300 nan 0.000 0.452 123 L N 3.258 124.490 121.223 0.014 0.000 2.334 123 L HA 0.556 4.896 4.340 -0.000 0.000 0.276 123 L C -0.210 176.654 176.870 -0.010 0.000 1.014 123 L CA -0.865 53.954 54.840 -0.035 0.000 0.815 123 L CB 1.836 43.833 42.059 -0.103 0.000 1.268 123 L HN 0.626 nan 8.230 nan 0.000 0.428 124 R N 3.267 123.758 120.500 -0.014 0.000 2.320 124 R HA 0.323 4.663 4.340 -0.000 0.000 0.319 124 R C -0.372 175.917 176.300 -0.019 0.000 0.969 124 R CA -0.311 55.785 56.100 -0.006 0.000 0.857 124 R CB 0.251 30.558 30.300 0.013 0.000 1.160 124 R HN 0.665 nan 8.270 nan 0.000 0.491 125 N N 3.592 122.274 118.700 -0.029 0.000 2.705 125 N HA -0.213 4.527 4.740 -0.000 0.000 0.255 125 N C 0.555 176.038 175.510 -0.046 0.000 1.008 125 N CA 1.508 54.536 53.050 -0.037 0.000 0.742 125 N CB -1.054 37.417 38.487 -0.027 0.000 0.906 125 N HN 1.108 nan 8.380 nan 0.000 0.541 126 G N -0.913 107.848 108.800 -0.065 0.000 2.196 126 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.268 126 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.268 126 G C -0.024 174.833 174.900 -0.072 0.000 0.975 126 G CA 1.007 46.057 45.100 -0.083 0.000 0.648 126 G HN 0.616 nan 8.290 nan 0.000 0.538 127 E N -0.165 120.006 120.200 -0.049 0.000 2.216 127 E HA 0.521 4.871 4.350 -0.000 0.000 0.279 127 E C 0.593 177.172 176.600 -0.035 0.000 0.997 127 E CA -0.902 55.475 56.400 -0.037 0.000 0.817 127 E CB 0.557 30.246 29.700 -0.017 0.000 1.096 127 E HN 0.287 nan 8.360 nan 0.000 0.393 128 R N 4.874 125.352 120.500 -0.037 0.000 2.296 128 R HA 0.109 4.449 4.340 -0.000 0.000 0.323 128 R C 0.970 177.264 176.300 -0.011 0.000 1.067 128 R CA 0.064 56.144 56.100 -0.035 0.000 0.946 128 R CB 0.149 30.423 30.300 -0.043 0.000 0.991 128 R HN 0.697 nan 8.270 nan 0.000 0.448 129 I N -0.158 120.395 120.570 -0.028 0.000 3.228 129 I HA 0.227 4.397 4.170 -0.000 0.000 0.279 129 I C 0.461 176.505 176.117 -0.122 0.000 1.221 129 I CA 0.005 61.272 61.300 -0.056 0.000 1.458 129 I CB 0.545 38.472 38.000 -0.122 0.000 1.105 129 I HN 0.498 nan 8.210 nan 0.000 0.445 130 T N -0.965 113.538 114.554 -0.084 0.000 2.636 130 T HA 0.601 4.951 4.350 -0.000 0.000 0.298 130 T C -1.008 173.809 174.700 0.195 0.000 1.849 130 T CA 0.042 62.146 62.100 0.007 0.000 0.963 130 T CB 1.085 69.860 68.868 -0.155 0.000 1.907 130 T HN 0.627 nan 8.240 nan 0.000 0.496 131 G N 0.479 109.430 108.800 0.252 0.000 2.342 131 G HA2 0.517 4.477 3.960 -0.000 0.000 0.297 131 G HA3 0.517 4.477 3.960 -0.000 0.000 0.297 131 G C -1.497 173.535 174.900 0.220 0.000 1.313 131 G CA 0.354 45.621 45.100 0.278 0.000 0.830 131 G HN 1.018 nan 8.290 nan 0.000 0.506 132 S N -0.530 115.274 115.700 0.174 0.000 2.552 132 S HA 0.576 5.046 4.470 -0.000 0.000 0.314 132 S C -0.214 174.463 174.600 0.128 0.000 1.099 132 S CA -0.437 57.851 58.200 0.147 0.000 1.070 132 S CB 1.097 64.416 63.200 0.199 0.000 0.998 132 S HN 0.536 nan 8.310 nan 0.000 0.474 133 Q N 1.967 121.822 119.800 0.092 0.000 2.260 133 Q HA 0.351 4.691 4.340 -0.000 0.000 0.238 133 Q C -0.028 176.048 176.000 0.127 0.000 0.948 133 Q CA -0.642 55.221 55.803 0.101 0.000 0.895 133 Q CB 1.447 30.212 28.738 0.046 0.000 1.218 133 Q HN 0.608 nan 8.270 nan 0.000 0.470 134 V N 2.800 122.829 119.914 0.191 0.000 2.720 134 V HA -0.154 3.966 4.120 -0.000 0.000 0.307 134 V C 0.297 176.324 176.094 -0.111 0.000 1.071 134 V CA 1.149 63.517 62.300 0.114 0.000 1.199 134 V CB -0.388 31.541 31.823 0.176 0.000 0.900 134 V HN 0.866 nan 8.190 nan 0.000 0.494 135 K N 3.069 123.290 120.400 -0.298 0.000 3.500 135 K HA -0.169 4.151 4.320 -0.000 0.000 0.313 135 K C 0.576 176.946 176.600 -0.384 0.000 1.338 135 K CA 1.188 57.084 56.287 -0.652 0.000 0.963 135 K CB -1.446 30.657 32.500 -0.662 0.000 1.267 135 K HN 0.820 nan 8.250 nan 0.000 0.448 136 N N 1.257 119.854 118.700 -0.172 0.000 2.270 136 N HA 0.006 4.746 4.740 -0.000 0.000 0.198 136 N C -0.146 175.201 175.510 -0.272 0.000 1.117 136 N CA 0.439 53.457 53.050 -0.053 0.000 0.845 136 N CB 0.208 38.681 38.487 -0.022 0.000 0.980 136 N HN 0.491 nan 8.380 nan 0.000 0.486 137 N N -0.819 117.562 118.700 -0.532 0.000 2.697 137 N HA 0.728 5.468 4.740 -0.000 0.000 0.272 137 N C 0.250 175.183 175.510 -0.961 0.000 1.381 137 N CA -0.490 51.903 53.050 -1.094 0.000 0.797 137 N CB 1.436 39.588 38.487 -0.557 0.000 1.523 137 N HN -0.023 nan 8.380 nan 0.000 0.518 138 G N -1.756 106.469 108.800 -0.959 0.000 2.260 138 G HA2 0.154 4.114 3.960 -0.000 0.000 0.250 138 G HA3 0.154 4.114 3.960 -0.000 0.000 0.250 138 G C -2.360 172.600 174.900 0.101 0.000 1.340 138 G CA -0.741 44.092 45.100 -0.445 0.000 1.056 138 G HN 0.756 nan 8.290 nan 0.000 0.471 139 Y N 0.193 120.593 120.300 0.167 0.000 2.376 139 Y HA 0.685 5.235 4.550 -0.000 0.000 0.340 139 Y C -0.289 175.664 175.900 0.088 0.000 0.965 139 Y CA -1.124 57.052 58.100 0.126 0.000 1.078 139 Y CB 2.194 40.611 38.460 -0.072 0.000 1.193 139 Y HN 0.548 nan 8.280 nan 0.000 0.452 140 V N 6.594 126.390 119.914 -0.197 0.000 2.409 140 V HA 0.323 4.443 4.120 -0.000 0.000 0.291 140 V C -0.579 175.234 176.094 -0.469 0.000 1.020 140 V CA -0.843 61.319 62.300 -0.230 0.000 0.848 140 V CB 1.439 33.218 31.823 -0.073 0.000 0.990 140 V HN 0.748 nan 8.190 nan 0.000 0.430 141 Q N 3.226 122.789 119.800 -0.395 0.000 2.390 141 Q HA 0.228 4.568 4.340 -0.000 0.000 0.249 141 Q C -0.762 175.156 176.000 -0.137 0.000 0.996 141 Q CA -0.455 55.154 55.803 -0.323 0.000 0.899 141 Q CB 0.858 29.461 28.738 -0.225 0.000 1.216 141 Q HN 0.764 nan 8.270 nan 0.000 0.465 142 D N 3.012 123.367 120.400 -0.075 0.000 2.411 142 D HA 0.080 4.720 4.640 -0.000 0.000 0.225 142 D C 0.256 176.544 176.300 -0.021 0.000 1.156 142 D CA 0.034 54.033 54.000 -0.003 0.000 0.874 142 D CB 1.447 42.328 40.800 0.134 0.000 1.034 142 D HN 0.507 nan 8.370 nan 0.000 0.502 143 T N 2.952 117.490 114.554 -0.025 0.000 3.055 143 T HA -0.047 4.303 4.350 -0.000 0.000 0.265 143 T C 1.491 176.184 174.700 -0.011 0.000 1.111 143 T CA 0.502 62.592 62.100 -0.018 0.000 1.118 143 T CB 0.132 68.989 68.868 -0.019 0.000 0.909 143 T HN 0.399 nan 8.240 nan 0.000 0.501 144 N N 2.507 121.201 118.700 -0.009 0.000 2.250 144 N HA -0.046 4.694 4.740 -0.000 0.000 0.181 144 N C 1.336 176.845 175.510 -0.001 0.000 1.017 144 N CA 1.056 54.102 53.050 -0.006 0.000 0.866 144 N CB -0.134 38.347 38.487 -0.009 0.000 0.985 144 N HN 0.592 nan 8.380 nan 0.000 0.429 145 N N -0.537 118.164 118.700 0.003 0.000 2.160 145 N HA 0.057 4.797 4.740 -0.000 0.000 0.226 145 N C -0.390 175.115 175.510 -0.008 0.000 1.256 145 N CA 0.012 53.064 53.050 0.004 0.000 0.890 145 N CB 0.378 38.876 38.487 0.017 0.000 1.116 145 N HN -0.266 nan 8.380 nan 0.000 0.517 146 Q N -0.550 119.240 119.800 -0.016 0.000 2.494 146 Q HA -0.199 4.141 4.340 -0.000 0.000 0.266 146 Q C -0.915 175.044 176.000 -0.067 0.000 1.053 146 Q CA 0.907 56.693 55.803 -0.028 0.000 1.029 146 Q CB -1.793 26.938 28.738 -0.012 0.000 1.423 146 Q HN 0.553 nan 8.270 nan 0.000 0.516 147 R N 0.567 121.006 120.500 -0.101 0.000 2.540 147 R HA 0.575 4.915 4.340 -0.000 0.000 0.287 147 R C -0.257 175.802 176.300 -0.402 0.000 0.980 147 R CA -0.789 55.156 56.100 -0.258 0.000 0.966 147 R CB 1.019 31.145 30.300 -0.289 0.000 1.106 147 R HN 0.082 nan 8.270 nan 0.000 0.480 148 N N 1.896 120.257 118.700 -0.565 0.000 2.284 148 N HA 0.349 5.089 4.740 -0.000 0.000 0.300 148 N C -1.369 173.712 175.510 -0.715 0.000 1.047 148 N CA -0.435 52.264 53.050 -0.585 0.000 0.821 148 N CB 1.948 40.196 38.487 -0.397 0.000 1.337 148 N HN 0.398 nan 8.380 nan 0.000 0.482 149 Y N 0.096 120.230 120.300 -0.276 0.000 2.576 149 Y HA 0.525 5.075 4.550 -0.000 0.000 0.346 149 Y C 0.214 176.107 175.900 -0.011 0.000 1.018 149 Y CA -1.064 56.963 58.100 -0.122 0.000 1.050 149 Y CB 1.763 40.154 38.460 -0.115 0.000 1.280 149 Y HN 0.133 nan 8.280 nan 0.000 0.474 150 M N 3.065 122.806 119.600 0.236 0.000 2.508 150 M HA 0.517 4.997 4.480 -0.000 0.000 0.327 150 M C -1.123 175.326 176.300 0.247 0.000 1.160 150 M CA -0.672 54.781 55.300 0.256 0.000 0.980 150 M CB 1.732 34.447 32.600 0.192 0.000 1.693 150 M HN 0.747 nan 8.290 nan 0.000 0.452 151 F N 0.032 119.978 119.950 -0.007 0.000 2.645 151 F HA 0.848 5.375 4.527 -0.000 0.000 0.310 151 F C -1.185 174.483 175.800 -0.219 0.000 1.102 151 F CA -0.955 56.965 58.000 -0.134 0.000 0.952 151 F CB 1.499 40.403 39.000 -0.161 0.000 1.326 151 F HN 0.540 nan 8.300 nan 0.000 0.456 152 E N 1.111 120.963 120.200 -0.580 0.000 2.369 152 E HA 0.641 4.991 4.350 -0.000 0.000 0.270 152 E C -1.722 174.481 176.600 -0.662 0.000 0.909 152 E CA -0.797 55.147 56.400 -0.760 0.000 0.775 152 E CB 2.060 31.207 29.700 -0.922 0.000 1.270 152 E HN 0.738 nan 8.360 nan 0.000 0.445 153 R N 2.925 123.202 120.500 -0.373 0.000 2.483 153 R HA 0.468 4.808 4.340 -0.000 0.000 0.303 153 R C -0.737 175.502 176.300 -0.103 0.000 0.987 153 R CA -0.634 55.334 56.100 -0.221 0.000 0.881 153 R CB 1.097 31.362 30.300 -0.059 0.000 1.177 153 R HN 0.401 nan 8.270 nan 0.000 0.451 154 L N 2.968 124.179 121.223 -0.021 0.000 2.275 154 L HA 0.291 4.631 4.340 -0.000 0.000 0.288 154 L C -0.050 176.904 176.870 0.140 0.000 1.046 154 L CA -0.892 54.027 54.840 0.132 0.000 0.805 154 L CB 0.991 43.204 42.059 0.256 0.000 1.193 154 L HN 0.411 nan 8.230 nan 0.000 0.426 155 D N 3.332 123.810 120.400 0.129 0.000 2.449 155 D HA 0.238 4.878 4.640 -0.000 0.000 0.236 155 D C -0.213 176.173 176.300 0.142 0.000 1.149 155 D CA 0.478 54.541 54.000 0.104 0.000 0.878 155 D CB 0.899 41.750 40.800 0.085 0.000 1.198 155 D HN 0.236 nan 8.370 nan 0.000 0.446 156 L N 1.260 122.540 121.223 0.095 0.000 2.329 156 L HA 0.520 4.860 4.340 -0.000 0.000 0.279 156 L C 1.107 178.019 176.870 0.070 0.000 1.014 156 L CA -0.830 54.067 54.840 0.095 0.000 0.814 156 L CB 1.930 44.014 42.059 0.041 0.000 1.257 156 L HN 0.321 nan 8.230 nan 0.000 0.424 157 G N 1.513 110.363 108.800 0.083 0.000 2.547 157 G HA2 0.436 4.396 3.960 -0.000 0.000 0.291 157 G HA3 0.436 4.396 3.960 -0.000 0.000 0.291 157 G C -0.227 174.697 174.900 0.040 0.000 1.211 157 G CA -0.602 44.534 45.100 0.060 0.000 0.950 157 G HN 0.304 nan 8.290 nan 0.000 0.504 158 V N 0.919 120.852 119.914 0.032 0.000 2.584 158 V HA 0.315 4.435 4.120 -0.000 0.000 0.303 158 V C 1.722 177.834 176.094 0.030 0.000 1.035 158 V CA 1.761 64.077 62.300 0.025 0.000 1.172 158 V CB 0.223 32.059 31.823 0.021 0.000 0.896 158 V HN 1.826 nan 8.190 nan 0.000 0.486 159 G N 3.447 112.265 108.800 0.030 0.000 2.168 159 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 159 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 159 G C 0.190 175.101 174.900 0.019 0.000 0.977 159 G CA 0.450 45.572 45.100 0.036 0.000 0.659 159 G HN 0.843 nan 8.290 nan 0.000 0.533 160 E N 1.530 121.739 120.200 0.014 0.000 2.223 160 E HA 0.490 4.840 4.350 -0.000 0.000 0.282 160 E C 0.685 177.251 176.600 -0.057 0.000 1.046 160 E CA 0.254 56.655 56.400 0.002 0.000 0.857 160 E CB 0.367 30.091 29.700 0.039 0.000 1.055 160 E HN 0.390 nan 8.360 nan 0.000 0.409 161 T N 0.329 114.820 114.554 -0.104 0.000 2.888 161 T HA 0.581 4.931 4.350 -0.000 0.000 0.284 161 T C -0.294 174.190 174.700 -0.360 0.000 1.017 161 T CA -0.888 61.042 62.100 -0.282 0.000 1.022 161 T CB 1.618 70.226 68.868 -0.433 0.000 1.013 161 T HN 0.135 nan 8.240 nan 0.000 0.465 162 V N 2.471 122.034 119.914 -0.584 0.000 2.555 162 V HA 0.623 4.742 4.120 -0.000 0.000 0.302 162 V C -1.299 174.378 176.094 -0.695 0.000 1.038 162 V CA -0.864 61.167 62.300 -0.449 0.000 0.887 162 V CB 1.036 32.639 31.823 -0.368 0.000 0.991 162 V HN 0.965 nan 8.190 nan 0.000 0.434 163 Y N 1.386 121.576 120.300 -0.185 0.000 2.609 163 Y HA 0.857 5.407 4.550 -0.000 0.000 0.342 163 Y C 0.788 176.573 175.900 -0.191 0.000 1.058 163 Y CA 0.251 58.241 58.100 -0.183 0.000 1.055 163 Y CB 2.301 40.659 38.460 -0.170 0.000 1.292 163 Y HN 0.997 nan 8.280 nan 0.000 0.476 164 G N 0.117 108.913 108.800 -0.007 0.000 2.513 164 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.227 164 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.227 164 G C -0.217 174.602 174.900 -0.136 0.000 1.176 164 G CA -0.253 44.810 45.100 -0.062 0.000 0.967 164 G HN 1.231 nan 8.290 nan 0.000 0.587 165 L N -0.177 120.966 121.223 -0.134 0.000 4.351 165 L HA 0.060 4.400 4.340 -0.000 0.000 0.410 165 L C 1.435 178.227 176.870 -0.129 0.000 1.150 165 L CA 1.542 56.267 54.840 -0.191 0.000 0.961 165 L CB -1.684 40.169 42.059 -0.343 0.000 2.130 165 L HN 2.928 nan 8.230 nan 0.000 0.787 166 G N -0.049 108.685 108.800 -0.110 0.000 2.500 166 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.209 166 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.209 166 G C -0.509 174.231 174.900 -0.266 0.000 1.283 166 G CA 0.067 45.071 45.100 -0.160 0.000 0.960 166 G HN 0.343 nan 8.290 nan 0.000 0.528 167 E N 1.045 121.042 120.200 -0.338 0.000 1.996 167 E HA 0.445 4.795 4.350 -0.000 0.000 0.280 167 E C 0.550 176.771 176.600 -0.632 0.000 1.092 167 E CA -0.319 55.809 56.400 -0.453 0.000 0.862 167 E CB 0.042 29.529 29.700 -0.355 0.000 1.066 167 E HN 0.486 nan 8.360 nan 0.000 0.396 168 R N 3.278 123.374 120.500 -0.674 0.000 2.832 168 R HA 0.374 4.714 4.340 -0.000 0.000 0.271 168 R C -0.212 175.610 176.300 -0.797 0.000 0.996 168 R CA -0.711 54.983 56.100 -0.675 0.000 0.977 168 R CB 0.799 30.923 30.300 -0.293 0.000 1.168 168 R HN 0.469 nan 8.270 nan 0.000 0.482 169 F N -0.491 119.453 119.950 -0.011 0.000 2.706 169 F HA 0.081 4.608 4.527 -0.000 0.000 0.313 169 F C 1.239 177.041 175.800 0.002 0.000 1.096 169 F CA -0.411 57.596 58.000 0.012 0.000 1.219 169 F CB 0.366 39.398 39.000 0.053 0.000 1.051 169 F HN 0.481 nan 8.300 nan 0.000 0.568 170 T N -0.567 114.035 114.554 0.080 0.000 2.689 170 T HA 0.543 4.893 4.350 -0.000 0.000 0.308 170 T C 0.787 175.488 174.700 0.001 0.000 1.021 170 T CA -0.507 61.616 62.100 0.039 0.000 0.973 170 T CB 0.474 69.345 68.868 0.006 0.000 1.113 170 T HN 0.181 nan 8.240 nan 0.000 0.522 171 A N 0.339 123.154 122.820 -0.008 0.000 2.587 171 A HA 0.217 4.537 4.320 -0.000 0.000 0.235 171 A C 1.418 178.979 177.584 -0.038 0.000 1.044 171 A CA -0.373 51.656 52.037 -0.013 0.000 0.754 171 A CB -0.640 18.354 19.000 -0.010 0.000 0.968 171 A HN 0.965 nan 8.150 nan 0.000 0.509 172 L N 4.065 125.276 121.223 -0.020 0.000 1.990 172 L HA -0.106 4.234 4.340 -0.000 0.000 0.213 172 L C 1.043 177.845 176.870 -0.114 0.000 1.072 172 L CA 1.914 56.736 54.840 -0.030 0.000 0.755 172 L CB -0.359 41.722 42.059 0.038 0.000 0.889 172 L HN 0.487 nan 8.230 nan 0.000 0.432 173 V N 0.653 120.473 119.914 -0.156 0.000 2.488 173 V HA 0.057 4.177 4.120 -0.000 0.000 0.277 173 V C 1.409 177.353 176.094 -0.250 0.000 1.046 173 V CA -0.020 62.045 62.300 -0.392 0.000 0.986 173 V CB 1.082 32.658 31.823 -0.413 0.000 0.989 173 V HN 0.314 nan 8.190 nan 0.000 0.475 174 R N 2.798 123.100 120.500 -0.329 0.000 2.236 174 R HA 0.060 4.400 4.340 -0.000 0.000 0.208 174 R C 0.487 176.675 176.300 -0.188 0.000 1.036 174 R CA 0.145 56.102 56.100 -0.239 0.000 1.001 174 R CB -0.190 29.940 30.300 -0.282 0.000 0.896 174 R HN 0.743 nan 8.270 nan 0.000 0.464 175 N N 0.097 118.683 118.700 -0.191 0.000 2.411 175 N HA 0.120 4.859 4.740 -0.000 0.000 0.261 175 N C 0.837 176.297 175.510 -0.083 0.000 1.248 175 N CA 1.436 54.408 53.050 -0.130 0.000 0.885 175 N CB 0.800 39.227 38.487 -0.101 0.000 1.062 175 N HN 0.305 nan 8.380 nan 0.000 0.471 176 G N 0.908 109.664 108.800 -0.075 0.000 2.213 176 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.226 176 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.226 176 G C -0.258 174.610 174.900 -0.053 0.000 0.992 176 G CA -0.303 44.763 45.100 -0.057 0.000 0.632 176 G HN 0.578 nan 8.290 nan 0.000 0.511 177 Q N 0.681 120.444 119.800 -0.061 0.000 2.266 177 Q HA 0.595 4.935 4.340 -0.000 0.000 0.261 177 Q C -0.003 175.979 176.000 -0.031 0.000 0.985 177 Q CA -0.058 55.717 55.803 -0.047 0.000 0.873 177 Q CB 2.009 30.713 28.738 -0.056 0.000 1.306 177 Q HN 0.309 nan 8.270 nan 0.000 0.447 178 T N -0.588 113.958 114.554 -0.012 0.000 2.882 178 T HA 0.495 4.845 4.350 -0.000 0.000 0.287 178 T C -0.661 174.061 174.700 0.037 0.000 0.992 178 T CA -0.626 61.484 62.100 0.016 0.000 1.076 178 T CB 1.084 69.954 68.868 0.004 0.000 0.961 178 T HN 0.446 nan 8.240 nan 0.000 0.490 179 V N 3.582 123.552 119.914 0.093 0.000 2.623 179 V HA 0.652 4.772 4.120 -0.000 0.000 0.304 179 V C -1.195 175.029 176.094 0.216 0.000 1.054 179 V CA -0.705 61.661 62.300 0.110 0.000 0.882 179 V CB 2.016 33.848 31.823 0.016 0.000 1.002 179 V HN 0.959 nan 8.190 nan 0.000 0.424 180 E N 3.915 124.225 120.200 0.183 0.000 2.134 180 E HA 0.333 4.683 4.350 -0.000 0.000 0.278 180 E C -0.041 176.735 176.600 0.293 0.000 0.959 180 E CA -0.271 56.261 56.400 0.219 0.000 0.783 180 E CB 1.737 31.520 29.700 0.138 0.000 1.095 180 E HN 0.928 nan 8.360 nan 0.000 0.399 181 T N 1.031 115.811 114.554 0.377 0.000 3.176 181 T HA 0.299 4.649 4.350 -0.000 0.000 0.301 181 T C -0.239 174.764 174.700 0.506 0.000 1.115 181 T CA -0.755 61.578 62.100 0.390 0.000 1.027 181 T CB -0.113 69.002 68.868 0.412 0.000 1.063 181 T HN 0.413 nan 8.240 nan 0.000 0.669 182 W N 4.194 125.611 121.300 0.195 0.000 2.934 182 W HA 0.280 4.940 4.660 -0.000 0.000 0.333 182 W C -1.401 175.281 176.519 0.270 0.000 1.035 182 W CA -0.926 56.547 57.345 0.213 0.000 1.256 182 W CB 1.335 30.850 29.460 0.092 0.000 1.306 182 W HN 0.395 nan 8.180 nan 0.000 0.430 183 N N 4.937 123.710 118.700 0.121 0.000 2.412 183 N HA 0.159 4.899 4.740 -0.000 0.000 0.254 183 N C -0.272 175.357 175.510 0.199 0.000 1.232 183 N CA 0.642 53.769 53.050 0.127 0.000 0.880 183 N CB 0.677 39.173 38.487 0.015 0.000 1.076 183 N HN 0.373 nan 8.380 nan 0.000 0.458 184 R N 0.204 120.818 120.500 0.189 0.000 2.774 184 R HA 0.208 4.548 4.340 -0.000 0.000 0.272 184 R C -1.278 175.101 176.300 0.132 0.000 1.000 184 R CA -0.804 55.423 56.100 0.212 0.000 0.906 184 R CB 1.532 31.960 30.300 0.214 0.000 1.227 184 R HN 0.381 nan 8.270 nan 0.000 0.468 185 D N 0.915 121.430 120.400 0.193 0.000 2.500 185 D HA 0.214 4.854 4.640 -0.000 0.000 0.219 185 D C 0.132 176.468 176.300 0.059 0.000 1.137 185 D CA 0.011 54.109 54.000 0.164 0.000 0.946 185 D CB 0.690 41.679 40.800 0.316 0.000 1.022 185 D HN 0.740 nan 8.370 nan 0.000 0.518 186 G N 1.683 110.387 108.800 -0.160 0.000 3.774 186 G HA2 0.495 4.455 3.960 -0.000 0.000 0.287 186 G HA3 0.495 4.455 3.960 -0.000 0.000 0.287 186 G C 0.843 175.680 174.900 -0.106 0.000 1.030 186 G CA 0.112 45.167 45.100 -0.075 0.000 0.824 186 G HN 0.790 nan 8.290 nan 0.000 0.518 187 G N 0.397 109.105 108.800 -0.152 0.000 2.601 187 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.252 187 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.252 187 G C 0.949 175.654 174.900 -0.324 0.000 1.294 187 G CA 0.976 46.046 45.100 -0.049 0.000 0.912 187 G HN 1.255 nan 8.290 nan 0.000 0.574 188 T N -4.186 110.155 114.554 -0.355 0.000 3.040 188 T HA 0.531 4.881 4.350 -0.000 0.000 0.266 188 T C 1.536 175.934 174.700 -0.504 0.000 1.005 188 T CA 1.214 62.671 62.100 -1.071 0.000 0.906 188 T CB 0.469 68.806 68.868 -0.885 0.000 1.082 188 T HN 0.882 nan 8.240 nan 0.000 0.531 189 S N 1.665 117.297 115.700 -0.113 0.000 2.554 189 S HA 0.277 4.747 4.470 -0.000 0.000 0.226 189 S C 0.895 175.531 174.600 0.060 0.000 0.980 189 S CA 0.032 58.248 58.200 0.028 0.000 0.939 189 S CB 0.454 63.693 63.200 0.065 0.000 0.832 189 S HN 0.893 nan 8.310 nan 0.000 0.486 190 T N -0.472 114.127 114.554 0.075 0.000 2.693 190 T HA 0.353 4.703 4.350 -0.000 0.000 0.278 190 T C 0.679 175.458 174.700 0.132 0.000 0.994 190 T CA -0.592 61.562 62.100 0.090 0.000 1.033 190 T CB 1.178 70.086 68.868 0.067 0.000 1.342 190 T HN -0.023 nan 8.240 nan 0.000 0.538 191 E N 0.096 120.353 120.200 0.096 0.000 2.482 191 E HA -0.008 4.342 4.350 -0.000 0.000 0.196 191 E C 0.222 176.881 176.600 0.097 0.000 1.047 191 E CA 0.292 56.744 56.400 0.088 0.000 0.869 191 E CB -0.113 29.622 29.700 0.058 0.000 0.836 191 E HN 0.710 nan 8.360 nan 0.000 0.520 192 Q N 0.349 120.212 119.800 0.104 0.000 2.312 192 Q HA 0.555 4.895 4.340 -0.000 0.000 0.236 192 Q C -0.661 175.394 176.000 0.093 0.000 0.965 192 Q CA -0.135 55.723 55.803 0.090 0.000 0.894 192 Q CB 1.507 30.283 28.738 0.064 0.000 1.225 192 Q HN 0.255 nan 8.270 nan 0.000 0.478 193 A N 0.895 123.748 122.820 0.055 0.000 2.455 193 A HA 0.409 4.729 4.320 -0.000 0.000 0.300 193 A C -1.032 176.565 177.584 0.021 0.000 1.040 193 A CA -0.655 51.410 52.037 0.047 0.000 0.697 193 A CB 0.485 19.490 19.000 0.008 0.000 1.265 193 A HN 0.790 nan 8.150 nan 0.000 0.407 194 Y N 1.003 121.375 120.300 0.120 0.000 2.373 194 Y HA 0.026 4.576 4.550 -0.000 0.000 0.293 194 Y C 0.795 176.694 175.900 -0.003 0.000 1.129 194 Y CA 1.406 59.525 58.100 0.032 0.000 1.226 194 Y CB 0.131 38.556 38.460 -0.059 0.000 1.000 194 Y HN 0.519 nan 8.280 nan 0.000 0.549 195 K N 1.322 121.794 120.400 0.120 0.000 2.579 195 K HA 0.231 4.551 4.320 -0.000 0.000 0.225 195 K C -1.050 175.520 176.600 -0.049 0.000 0.992 195 K CA -0.251 56.023 56.287 -0.022 0.000 1.018 195 K CB 0.638 33.008 32.500 -0.216 0.000 1.249 195 K HN 0.078 nan 8.250 nan 0.000 0.489 196 N N 3.236 121.962 118.700 0.043 0.000 2.456 196 N HA 0.458 5.198 4.740 -0.000 0.000 0.296 196 N C -0.736 174.838 175.510 0.107 0.000 1.102 196 N CA -0.458 52.635 53.050 0.073 0.000 0.924 196 N CB 1.671 40.257 38.487 0.164 0.000 1.186 196 N HN 0.247 nan 8.380 nan 0.000 0.492 197 I N 2.557 123.184 120.570 0.095 0.000 2.548 197 I HA 0.211 4.380 4.170 -0.000 0.000 0.287 197 I C -2.286 173.913 176.117 0.137 0.000 1.103 197 I CA -1.935 59.441 61.300 0.127 0.000 1.049 197 I CB 2.133 40.202 38.000 0.115 0.000 1.232 197 I HN 0.232 nan 8.210 nan 0.000 0.429 198 P HA 0.132 nan 4.420 nan 0.000 0.237 198 P C -0.557 176.924 177.300 0.300 0.000 1.723 198 P CA 0.197 63.508 63.100 0.351 0.000 0.882 198 P CB -0.576 31.476 31.700 0.586 0.000 1.810 199 F N 2.629 122.537 119.950 -0.069 0.000 2.529 199 F HA 0.549 5.076 4.527 -0.000 0.000 0.320 199 F C -1.077 174.607 175.800 -0.193 0.000 1.118 199 F CA -1.294 56.602 58.000 -0.174 0.000 0.915 199 F CB 1.500 40.259 39.000 -0.402 0.000 1.161 199 F HN -0.035 nan 8.300 nan 0.000 0.445 200 Y N 5.018 124.678 120.300 -1.067 0.000 2.634 200 Y HA 0.816 5.366 4.550 -0.000 0.000 0.340 200 Y C -1.143 173.995 175.900 -1.271 0.000 1.058 200 Y CA -1.673 55.842 58.100 -0.976 0.000 1.081 200 Y CB 1.596 39.727 38.460 -0.548 0.000 1.295 200 Y HN 0.837 nan 8.280 nan 0.000 0.487 201 M N 1.490 120.747 119.600 -0.571 0.000 2.575 201 M HA 0.797 5.277 4.480 -0.000 0.000 0.284 201 M C -1.545 174.663 176.300 -0.152 0.000 1.253 201 M CA -0.485 54.523 55.300 -0.487 0.000 0.861 201 M CB 2.728 35.101 32.600 -0.378 0.000 1.733 201 M HN 0.968 nan 8.290 nan 0.000 0.462 202 T N -1.705 112.671 114.554 -0.297 0.000 2.926 202 T HA 0.431 4.781 4.350 -0.000 0.000 0.289 202 T C 0.442 175.086 174.700 -0.094 0.000 1.054 202 T CA -0.466 61.547 62.100 -0.146 0.000 1.015 202 T CB 1.149 69.817 68.868 -0.333 0.000 1.167 202 T HN 0.856 nan 8.240 nan 0.000 0.526 203 N N 0.039 118.760 118.700 0.035 0.000 2.515 203 N HA -0.032 4.708 4.740 -0.000 0.000 0.191 203 N C 1.026 176.525 175.510 -0.019 0.000 1.182 203 N CA 0.014 53.063 53.050 -0.002 0.000 0.879 203 N CB -0.344 38.172 38.487 0.048 0.000 0.984 203 N HN 0.586 nan 8.380 nan 0.000 0.453 204 R N -0.016 120.460 120.500 -0.039 0.000 2.334 204 R HA 0.116 4.456 4.340 -0.000 0.000 0.220 204 R C 0.265 176.605 176.300 0.068 0.000 0.917 204 R CA 0.484 56.614 56.100 0.050 0.000 1.073 204 R CB -0.230 30.178 30.300 0.181 0.000 1.056 204 R HN 0.399 nan 8.270 nan 0.000 0.506 205 G N 1.311 110.086 108.800 -0.041 0.000 2.225 205 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 205 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 205 G C -0.365 174.578 174.900 0.072 0.000 1.060 205 G CA 0.884 45.980 45.100 -0.007 0.000 0.833 205 G HN 0.520 nan 8.290 nan 0.000 0.498 206 Y N -2.306 117.983 120.300 -0.019 0.000 2.665 206 Y HA 0.872 5.422 4.550 -0.000 0.000 0.336 206 Y C 0.451 176.286 175.900 -0.108 0.000 1.085 206 Y CA -1.387 56.688 58.100 -0.040 0.000 1.096 206 Y CB 0.973 39.409 38.460 -0.040 0.000 1.301 206 Y HN 0.649 nan 8.280 nan 0.000 0.493 207 G N -0.257 108.540 108.800 -0.006 0.000 2.642 207 G HA2 0.593 4.553 3.960 -0.000 0.000 0.293 207 G HA3 0.593 4.553 3.960 -0.000 0.000 0.293 207 G C -2.033 172.727 174.900 -0.232 0.000 1.341 207 G CA -0.730 44.184 45.100 -0.311 0.000 0.916 207 G HN 1.422 nan 8.290 nan 0.000 0.474 208 V N 0.169 119.683 119.914 -0.667 0.000 2.808 208 V HA 0.810 4.930 4.120 -0.000 0.000 0.308 208 V C -1.776 174.278 176.094 -0.068 0.000 1.099 208 V CA -0.978 61.134 62.300 -0.313 0.000 0.920 208 V CB 1.669 33.296 31.823 -0.327 0.000 1.014 208 V HN 0.942 nan 8.190 nan 0.000 0.425 209 L N 6.896 128.315 121.223 0.326 0.000 2.298 209 L HA 0.714 5.054 4.340 -0.000 0.000 0.284 209 L C -0.543 176.559 176.870 0.386 0.000 1.013 209 L CA -0.101 55.021 54.840 0.469 0.000 0.824 209 L CB 1.725 44.169 42.059 0.641 0.000 1.221 209 L HN 0.631 nan 8.230 nan 0.000 0.418 210 V N 4.940 125.024 119.914 0.283 0.000 2.427 210 V HA 0.194 4.314 4.120 -0.000 0.000 0.268 210 V C 0.598 176.913 176.094 0.368 0.000 1.046 210 V CA -0.426 62.000 62.300 0.210 0.000 0.970 210 V CB 0.713 32.519 31.823 -0.027 0.000 1.001 210 V HN 0.794 nan 8.190 nan 0.000 0.476 211 N N 4.493 123.322 118.700 0.215 0.000 3.254 211 N HA 0.068 4.808 4.740 -0.000 0.000 0.308 211 N C -0.487 174.856 175.510 -0.279 0.000 1.281 211 N CA 0.077 53.222 53.050 0.159 0.000 1.212 211 N CB -0.469 38.146 38.487 0.214 0.000 1.478 211 N HN 0.706 nan 8.380 nan 0.000 0.548 212 H N 0.136 119.325 119.070 0.199 0.000 3.277 212 H HA 0.213 4.769 4.556 -0.000 0.000 0.329 212 H C -2.065 173.226 175.328 -0.062 0.000 1.034 212 H CA -1.155 54.900 56.048 0.011 0.000 1.530 212 H CB 2.051 31.859 29.762 0.078 0.000 1.837 212 H HN 0.218 nan 8.280 nan 0.000 0.493 213 P HA -0.076 nan 4.420 nan 0.000 0.229 213 P C 0.337 177.737 177.300 0.167 0.000 1.160 213 P CA 0.742 63.725 63.100 -0.196 0.000 0.777 213 P CB 0.642 32.086 31.700 -0.426 0.000 0.814 214 Q N -0.830 119.094 119.800 0.206 0.000 2.697 214 Q HA 0.077 4.417 4.340 -0.000 0.000 0.196 214 Q C 0.322 176.571 176.000 0.414 0.000 1.121 214 Q CA -0.196 55.804 55.803 0.329 0.000 1.151 214 Q CB -0.623 28.245 28.738 0.218 0.000 1.250 214 Q HN 0.022 nan 8.270 nan 0.000 0.658 215 C N 0.818 120.396 119.300 0.464 0.000 2.634 215 C HA 0.285 4.745 4.460 -0.000 0.000 0.418 215 C C -0.277 174.853 174.990 0.234 0.000 1.373 215 C CA -0.391 58.855 59.018 0.380 0.000 1.756 215 C CB -1.044 26.723 27.740 0.045 0.000 2.589 215 C HN 0.461 nan 8.230 nan 0.000 0.602 216 V N 6.742 126.826 119.914 0.282 0.000 2.459 216 V HA 0.463 4.583 4.120 -0.000 0.000 0.295 216 V C 0.205 176.396 176.094 0.162 0.000 1.029 216 V CA -0.164 62.238 62.300 0.169 0.000 0.874 216 V CB 1.852 33.794 31.823 0.199 0.000 0.985 216 V HN 0.916 nan 8.190 nan 0.000 0.438 217 S N 5.028 120.727 115.700 -0.002 0.000 2.461 217 S HA 0.642 5.112 4.470 -0.000 0.000 0.322 217 S C -0.987 173.588 174.600 -0.041 0.000 1.063 217 S CA -0.392 57.822 58.200 0.023 0.000 1.120 217 S CB -0.135 63.031 63.200 -0.056 0.000 0.968 217 S HN 0.401 nan 8.310 nan 0.000 0.467 218 F N 3.219 123.209 119.950 0.067 0.000 2.415 218 F HA 0.439 4.966 4.527 -0.000 0.000 0.348 218 F C 0.739 176.532 175.800 -0.012 0.000 1.119 218 F CA -0.578 57.459 58.000 0.063 0.000 1.069 218 F CB 1.389 40.413 39.000 0.040 0.000 1.124 218 F HN 0.420 nan 8.300 nan 0.000 0.472 219 E N 3.833 124.099 120.200 0.111 0.000 2.101 219 E HA 0.250 4.600 4.350 -0.000 0.000 0.260 219 E C -0.931 175.677 176.600 0.012 0.000 0.897 219 E CA -0.374 56.040 56.400 0.025 0.000 0.744 219 E CB 1.917 31.591 29.700 -0.044 0.000 1.140 219 E HN 0.229 nan 8.360 nan 0.000 0.419 220 V N 2.007 121.914 119.914 -0.012 0.000 2.258 220 V HA 0.228 4.348 4.120 -0.000 0.000 0.258 220 V C 1.330 177.370 176.094 -0.089 0.000 1.121 220 V CA 0.116 62.366 62.300 -0.083 0.000 0.942 220 V CB 0.382 32.113 31.823 -0.154 0.000 1.170 220 V HN 0.934 nan 8.190 nan 0.000 0.487 221 G N 4.539 113.293 108.800 -0.077 0.000 2.296 221 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.282 221 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.282 221 G C 0.922 175.785 174.900 -0.061 0.000 1.014 221 G CA 0.902 45.962 45.100 -0.067 0.000 0.812 221 G HN 0.987 nan 8.290 nan 0.000 0.508 222 S N -2.091 113.574 115.700 -0.058 0.000 2.502 222 S HA 0.321 4.791 4.470 -0.000 0.000 0.215 222 S C 1.431 175.994 174.600 -0.061 0.000 1.009 222 S CA 0.901 59.069 58.200 -0.054 0.000 0.908 222 S CB 0.608 63.781 63.200 -0.045 0.000 0.801 222 S HN 0.649 nan 8.310 nan 0.000 0.505 223 E N 0.964 121.122 120.200 -0.071 0.000 2.290 223 E HA 0.185 4.535 4.350 -0.000 0.000 0.195 223 E C -0.493 176.053 176.600 -0.089 0.000 0.938 223 E CA 0.029 56.377 56.400 -0.087 0.000 1.018 223 E CB 0.481 30.116 29.700 -0.108 0.000 1.042 223 E HN 0.045 nan 8.360 nan 0.000 0.483 224 K N 2.342 122.690 120.400 -0.086 0.000 2.281 224 K HA 0.134 4.454 4.320 -0.000 0.000 0.272 224 K C 0.987 177.546 176.600 -0.067 0.000 1.048 224 K CA -0.021 56.216 56.287 -0.082 0.000 0.898 224 K CB 1.710 34.163 32.500 -0.077 0.000 1.128 224 K HN 0.210 nan 8.250 nan 0.000 0.460 225 V N 0.433 120.309 119.914 -0.065 0.000 2.626 225 V HA -0.139 3.981 4.120 -0.000 0.000 0.252 225 V C 1.182 177.249 176.094 -0.044 0.000 1.067 225 V CA 1.811 64.079 62.300 -0.054 0.000 1.081 225 V CB -0.491 31.302 31.823 -0.050 0.000 0.686 225 V HN 0.623 nan 8.190 nan 0.000 0.468 226 S N -0.328 115.348 115.700 -0.039 0.000 2.573 226 S HA 0.423 4.893 4.470 -0.000 0.000 0.244 226 S C 0.196 174.789 174.600 -0.011 0.000 0.984 226 S CA -0.698 57.489 58.200 -0.023 0.000 1.001 226 S CB -0.472 62.717 63.200 -0.018 0.000 0.788 226 S HN 0.771 nan 8.310 nan 0.000 0.456 227 K N 0.375 120.762 120.400 -0.021 0.000 2.532 227 K HA 0.494 4.814 4.320 -0.000 0.000 0.265 227 K C -1.559 175.025 176.600 -0.027 0.000 0.948 227 K CA -0.899 55.383 56.287 -0.007 0.000 0.842 227 K CB 2.198 34.689 32.500 -0.016 0.000 1.392 227 K HN 0.008 nan 8.250 nan 0.000 0.436 228 V N 2.022 121.931 119.914 -0.008 0.000 2.348 228 V HA 0.179 4.299 4.120 -0.000 0.000 0.270 228 V C 0.034 176.131 176.094 0.005 0.000 1.037 228 V CA -0.551 61.736 62.300 -0.022 0.000 0.872 228 V CB 0.930 32.676 31.823 -0.129 0.000 1.002 228 V HN 0.669 nan 8.190 nan 0.000 0.464 229 Q N 4.994 124.778 119.800 -0.028 0.000 2.257 229 Q HA 0.646 4.986 4.340 -0.000 0.000 0.255 229 Q C -1.416 174.509 176.000 -0.125 0.000 0.920 229 Q CA -0.571 55.145 55.803 -0.145 0.000 0.927 229 Q CB 1.391 30.068 28.738 -0.102 0.000 1.229 229 Q HN 0.723 nan 8.270 nan 0.000 0.433 230 F N 0.557 120.399 119.950 -0.181 0.000 2.565 230 F HA 0.776 5.303 4.527 -0.000 0.000 0.313 230 F C -0.786 174.893 175.800 -0.203 0.000 1.091 230 F CA -0.945 56.799 58.000 -0.427 0.000 0.915 230 F CB 1.653 40.126 39.000 -0.880 0.000 1.208 230 F HN 0.444 nan 8.300 nan 0.000 0.453 231 S N 1.561 117.228 115.700 -0.055 0.000 2.595 231 S HA 0.895 5.365 4.470 -0.000 0.000 0.281 231 S C -1.707 172.891 174.600 -0.003 0.000 1.117 231 S CA -0.847 57.355 58.200 0.003 0.000 0.873 231 S CB 1.834 64.987 63.200 -0.078 0.000 1.108 231 S HN 1.397 nan 8.310 nan 0.000 0.477 232 V N 0.396 120.338 119.914 0.047 0.000 2.969 232 V HA 0.510 4.630 4.120 -0.000 0.000 0.304 232 V C -1.289 174.859 176.094 0.090 0.000 1.192 232 V CA -0.612 61.683 62.300 -0.008 0.000 0.962 232 V CB 1.984 33.619 31.823 -0.313 0.000 1.045 232 V HN 1.113 nan 8.190 nan 0.000 0.428 233 E N 3.390 123.635 120.200 0.075 0.000 2.003 233 E HA 0.560 4.910 4.350 -0.000 0.000 0.279 233 E C -0.658 175.861 176.600 -0.134 0.000 1.132 233 E CA 0.246 56.575 56.400 -0.118 0.000 0.888 233 E CB 0.652 30.246 29.700 -0.177 0.000 1.056 233 E HN 0.745 nan 8.360 nan 0.000 0.399 234 S N 3.114 118.745 115.700 -0.115 0.000 2.586 234 S HA 0.078 4.548 4.470 -0.000 0.000 0.277 234 S C -0.101 174.544 174.600 0.075 0.000 1.131 234 S CA -0.689 57.466 58.200 -0.076 0.000 0.848 234 S CB 1.247 64.255 63.200 -0.321 0.000 1.091 234 S HN 0.514 nan 8.310 nan 0.000 0.453 235 E N 1.002 121.322 120.200 0.200 0.000 2.481 235 E HA 0.144 4.494 4.350 -0.000 0.000 0.195 235 E C -0.281 176.539 176.600 0.367 0.000 1.047 235 E CA 0.613 57.204 56.400 0.317 0.000 0.867 235 E CB 0.002 29.897 29.700 0.325 0.000 0.858 235 E HN 0.612 nan 8.360 nan 0.000 0.513 236 Y N -1.990 118.425 120.300 0.191 0.000 2.562 236 Y HA 0.597 5.147 4.550 -0.000 0.000 0.345 236 Y C -1.192 174.854 175.900 0.243 0.000 1.045 236 Y CA -1.730 56.490 58.100 0.199 0.000 1.028 236 Y CB 0.923 39.479 38.460 0.160 0.000 1.297 236 Y HN -0.234 nan 8.280 nan 0.000 0.463 237 L N 2.922 124.284 121.223 0.231 0.000 2.313 237 L HA 0.583 4.923 4.340 -0.000 0.000 0.283 237 L C -0.980 176.168 176.870 0.463 0.000 1.013 237 L CA -0.635 54.398 54.840 0.321 0.000 0.816 237 L CB 1.621 43.864 42.059 0.306 0.000 1.236 237 L HN 0.915 nan 8.230 nan 0.000 0.419 238 E N 4.116 124.634 120.200 0.532 0.000 2.224 238 E HA 0.535 4.885 4.350 -0.000 0.000 0.265 238 E C -1.973 174.693 176.600 0.111 0.000 0.878 238 E CA -0.606 55.899 56.400 0.176 0.000 0.759 238 E CB 1.468 31.238 29.700 0.116 0.000 1.164 238 E HN 0.545 nan 8.360 nan 0.000 0.414 239 Y N 1.355 121.562 120.300 -0.154 0.000 2.597 239 Y HA 0.661 5.211 4.550 -0.000 0.000 0.340 239 Y C -1.799 173.882 175.900 -0.364 0.000 1.097 239 Y CA -1.475 56.542 58.100 -0.138 0.000 1.037 239 Y CB 0.933 39.393 38.460 0.001 0.000 1.305 239 Y HN 0.245 nan 8.280 nan 0.000 0.463 240 F N 1.657 121.711 119.950 0.173 0.000 2.467 240 F HA 0.631 5.158 4.527 -0.000 0.000 0.336 240 F C -0.484 175.352 175.800 0.060 0.000 1.123 240 F CA -1.219 56.799 58.000 0.030 0.000 0.964 240 F CB 2.065 41.154 39.000 0.148 0.000 1.136 240 F HN 0.368 nan 8.300 nan 0.000 0.447 241 V N 5.249 125.210 119.914 0.077 0.000 2.432 241 V HA 0.368 4.488 4.120 -0.000 0.000 0.275 241 V C 0.051 176.171 176.094 0.044 0.000 1.043 241 V CA -0.540 61.739 62.300 -0.034 0.000 0.925 241 V CB 1.302 32.895 31.823 -0.384 0.000 0.985 241 V HN 0.518 nan 8.190 nan 0.000 0.466 242 I N 3.674 124.303 120.570 0.098 0.000 2.420 242 I HA 0.320 4.490 4.170 -0.000 0.000 0.282 242 I C -0.181 176.005 176.117 0.115 0.000 1.019 242 I CA -0.506 60.859 61.300 0.110 0.000 1.130 242 I CB 1.588 39.714 38.000 0.208 0.000 1.262 242 I HN 0.527 nan 8.210 nan 0.000 0.454 243 D N 4.215 124.659 120.400 0.072 0.000 2.368 243 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 243 D C 0.742 177.087 176.300 0.075 0.000 1.169 243 D CA 0.465 54.514 54.000 0.080 0.000 0.906 243 D CB 1.527 42.353 40.800 0.042 0.000 1.187 243 D HN 0.599 nan 8.370 nan 0.000 0.435 244 G N 0.888 109.734 108.800 0.077 0.000 2.606 244 G HA2 0.127 4.087 3.960 -0.000 0.000 0.213 244 G HA3 0.127 4.087 3.960 -0.000 0.000 0.213 244 G C -1.569 173.345 174.900 0.023 0.000 2.020 244 G CA -0.097 45.029 45.100 0.043 0.000 0.814 244 G HN 0.617 nan 8.290 nan 0.000 0.685 245 P HA 0.184 nan 4.420 nan 0.000 0.258 245 P C 0.026 177.338 177.300 0.020 0.000 1.416 245 P CA 0.485 63.608 63.100 0.038 0.000 0.927 245 P CB 0.156 31.876 31.700 0.034 0.000 1.444 246 T N -4.337 110.217 114.554 -0.000 0.000 2.950 246 T HA 0.457 4.807 4.350 -0.000 0.000 0.288 246 T C -2.166 172.514 174.700 -0.035 0.000 1.035 246 T CA -2.266 59.821 62.100 -0.022 0.000 1.028 246 T CB 1.817 70.664 68.868 -0.035 0.000 1.109 246 T HN -0.369 nan 8.240 nan 0.000 0.514 247 P HA -0.038 nan 4.420 nan 0.000 0.216 247 P C 1.383 178.647 177.300 -0.061 0.000 1.150 247 P CA 1.165 64.217 63.100 -0.080 0.000 0.837 247 P CB 0.098 31.717 31.700 -0.135 0.000 0.786 248 K N -0.685 119.673 120.400 -0.070 0.000 2.057 248 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 248 K C 2.110 178.680 176.600 -0.049 0.000 1.049 248 K CA 1.533 57.779 56.287 -0.069 0.000 0.931 248 K CB -0.582 31.869 32.500 -0.081 0.000 0.714 248 K HN 0.031 nan 8.250 nan 0.000 0.440 249 A N 0.624 123.422 122.820 -0.036 0.000 1.929 249 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 249 A C 2.266 179.851 177.584 0.001 0.000 1.176 249 A CA 1.091 53.114 52.037 -0.022 0.000 0.628 249 A CB -0.459 18.530 19.000 -0.017 0.000 0.816 249 A HN 0.065 nan 8.150 nan 0.000 0.444 250 V N 0.434 120.360 119.914 0.021 0.000 2.255 250 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 250 V C 2.548 178.692 176.094 0.084 0.000 1.051 250 V CA 2.075 64.420 62.300 0.075 0.000 1.018 250 V CB -0.875 31.007 31.823 0.098 0.000 0.641 250 V HN 0.587 nan 8.190 nan 0.000 0.445 251 L N 0.035 121.279 121.223 0.035 0.000 2.127 251 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 251 L C 2.423 179.278 176.870 -0.024 0.000 1.089 251 L CA 1.743 56.580 54.840 -0.005 0.000 0.757 251 L CB -0.702 41.325 42.059 -0.053 0.000 0.899 251 L HN 0.417 nan 8.230 nan 0.000 0.434 252 D N 0.496 120.875 120.400 -0.034 0.000 2.084 252 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 252 D C 2.320 178.586 176.300 -0.055 0.000 0.985 252 D CA 1.359 55.325 54.000 -0.057 0.000 0.826 252 D CB 0.088 40.856 40.800 -0.053 0.000 0.978 252 D HN 0.130 nan 8.370 nan 0.000 0.456 253 R N -0.988 119.496 120.500 -0.028 0.000 2.081 253 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 253 R C 2.416 178.700 176.300 -0.026 0.000 1.131 253 R CA 1.202 57.282 56.100 -0.034 0.000 0.960 253 R CB -0.580 29.707 30.300 -0.021 0.000 0.856 253 R HN 0.345 nan 8.270 nan 0.000 0.436 254 Y N 1.828 122.057 120.300 -0.117 0.000 2.145 254 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 254 Y C 2.552 178.307 175.900 -0.242 0.000 1.145 254 Y CA 2.039 60.017 58.100 -0.203 0.000 1.148 254 Y CB -0.347 37.805 38.460 -0.513 0.000 0.981 254 Y HN 0.100 nan 8.280 nan 0.000 0.507 255 T N -1.660 112.722 114.554 -0.286 0.000 2.985 255 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 255 T C 1.996 176.518 174.700 -0.297 0.000 1.076 255 T CA 0.985 62.859 62.100 -0.376 0.000 1.135 255 T CB -0.400 68.308 68.868 -0.266 0.000 0.890 255 T HN 0.382 nan 8.240 nan 0.000 0.480 256 R N -0.383 120.004 120.500 -0.190 0.000 2.073 256 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 256 R C 2.157 178.392 176.300 -0.108 0.000 1.134 256 R CA 1.345 57.366 56.100 -0.133 0.000 0.952 256 R CB -0.550 29.696 30.300 -0.091 0.000 0.850 256 R HN 0.361 nan 8.270 nan 0.000 0.433 257 F N 1.209 120.952 119.950 -0.346 0.000 2.134 257 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 257 F C 2.192 177.705 175.800 -0.478 0.000 1.097 257 F CA 2.112 59.871 58.000 -0.402 0.000 1.264 257 F CB -0.547 38.183 39.000 -0.449 0.000 1.001 257 F HN 0.226 nan 8.300 nan 0.000 0.479 258 T N -2.840 111.310 114.554 -0.673 0.000 2.985 258 T HA 0.532 4.882 4.350 -0.000 0.000 0.254 258 T C 0.687 175.026 174.700 -0.602 0.000 1.021 258 T CA 0.332 61.938 62.100 -0.823 0.000 0.957 258 T CB 0.115 68.287 68.868 -1.161 0.000 1.047 258 T HN 0.595 nan 8.240 nan 0.000 0.511 259 G N 1.463 109.965 108.800 -0.497 0.000 2.634 259 G HA2 0.231 4.191 3.960 -0.000 0.000 0.568 259 G HA3 0.231 4.191 3.960 -0.000 0.000 0.568 259 G C -1.367 173.291 174.900 -0.404 0.000 1.495 259 G CA -1.301 43.550 45.100 -0.416 0.000 0.903 259 G HN 0.323 nan 8.290 nan 0.000 0.646 260 R N 1.678 121.992 120.500 -0.310 0.000 2.390 260 R HA 0.448 4.788 4.340 -0.000 0.000 0.291 260 R C -2.398 173.735 176.300 -0.277 0.000 1.070 260 R CA -2.033 53.914 56.100 -0.255 0.000 1.014 260 R CB 0.558 30.757 30.300 -0.167 0.000 1.007 260 R HN 0.322 nan 8.270 nan 0.000 0.466 261 P HA -0.043 nan 4.420 nan 0.000 0.262 261 P C -0.316 176.954 177.300 -0.049 0.000 1.182 261 P CA 0.306 63.323 63.100 -0.137 0.000 0.761 261 P CB 0.435 32.139 31.700 0.007 0.000 0.795 262 A N 3.651 126.414 122.820 -0.096 0.000 2.409 262 A HA 0.237 4.557 4.320 -0.000 0.000 0.246 262 A C -0.158 177.481 177.584 0.092 0.000 1.099 262 A CA -0.094 51.955 52.037 0.020 0.000 0.789 262 A CB -0.242 18.815 19.000 0.095 0.000 1.053 262 A HN 0.567 nan 8.150 nan 0.000 0.503 263 L N 1.884 123.158 121.223 0.085 0.000 2.255 263 L HA 0.499 4.839 4.340 -0.000 0.000 0.289 263 L C -2.262 174.613 176.870 0.008 0.000 1.046 263 L CA -1.804 53.054 54.840 0.029 0.000 0.816 263 L CB 0.721 42.797 42.059 0.029 0.000 1.197 263 L HN 0.365 nan 8.230 nan 0.000 0.427 264 P HA 0.252 nan 4.420 nan 0.000 0.272 264 P C -2.641 174.755 177.300 0.160 0.000 1.230 264 P CA -1.046 62.003 63.100 -0.085 0.000 0.788 264 P CB -0.271 31.226 31.700 -0.340 0.000 0.949 265 P HA -0.002 nan 4.420 nan 0.000 0.270 265 P C 0.164 177.510 177.300 0.077 0.000 1.223 265 P CA 0.076 63.140 63.100 -0.060 0.000 0.785 265 P CB 0.531 31.925 31.700 -0.511 0.000 0.923 266 A N 3.322 126.198 122.820 0.093 0.000 1.930 266 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 266 A C 2.028 179.790 177.584 0.297 0.000 1.175 266 A CA 1.147 53.264 52.037 0.133 0.000 0.627 266 A CB -1.669 17.297 19.000 -0.058 0.000 0.815 266 A HN 0.837 nan 8.150 nan 0.000 0.443 267 W N 1.029 122.454 121.300 0.208 0.000 2.387 267 W HA -0.178 4.482 4.660 -0.000 0.000 0.272 267 W C 1.674 178.317 176.519 0.208 0.000 1.224 267 W CA 1.383 58.813 57.345 0.143 0.000 1.210 267 W CB -1.248 28.242 29.460 0.050 0.000 1.125 267 W HN 0.520 nan 8.180 nan 0.000 0.572 268 S N 0.263 115.880 115.700 -0.139 0.000 2.515 268 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 268 S C 1.342 176.101 174.600 0.265 0.000 0.987 268 S CA 0.435 58.677 58.200 0.069 0.000 0.936 268 S CB -1.359 61.721 63.200 -0.200 0.000 0.766 268 S HN 0.195 nan 8.310 nan 0.000 0.528 269 F N 2.578 122.605 119.950 0.128 0.000 2.802 269 F HA 0.335 4.862 4.527 -0.000 0.000 0.300 269 F C 1.907 177.768 175.800 0.103 0.000 1.168 269 F CA -0.125 57.866 58.000 -0.015 0.000 1.433 269 F CB -0.575 38.406 39.000 -0.030 0.000 1.115 269 F HN 0.324 nan 8.300 nan 0.000 0.582 270 G N 0.151 109.134 108.800 0.304 0.000 2.553 270 G HA2 0.300 4.260 3.960 -0.000 0.000 0.278 270 G HA3 0.300 4.260 3.960 -0.000 0.000 0.278 270 G C -0.982 174.228 174.900 0.517 0.000 1.349 270 G CA -0.601 44.620 45.100 0.202 0.000 1.037 270 G HN -0.007 nan 8.290 nan 0.000 0.508 271 L N -0.191 121.446 121.223 0.690 0.000 2.360 271 L HA 0.459 4.799 4.340 -0.000 0.000 0.276 271 L C -1.063 176.061 176.870 0.423 0.000 1.121 271 L CA -0.966 54.156 54.840 0.469 0.000 0.845 271 L CB 0.172 42.420 42.059 0.315 0.000 1.143 271 L HN 0.403 nan 8.230 nan 0.000 0.452 272 W N 6.324 127.660 121.300 0.060 0.000 2.469 272 W HA 0.577 5.237 4.660 -0.000 0.000 0.320 272 W C -0.404 176.046 176.519 -0.114 0.000 1.086 272 W CA -0.538 56.778 57.345 -0.049 0.000 1.211 272 W CB 0.849 30.198 29.460 -0.186 0.000 1.298 272 W HN 0.311 nan 8.180 nan 0.000 0.525 273 L N 2.232 123.497 121.223 0.071 0.000 2.333 273 L HA 0.671 5.011 4.340 -0.000 0.000 0.269 273 L C -0.207 176.460 176.870 -0.338 0.000 1.010 273 L CA -0.437 54.375 54.840 -0.047 0.000 0.818 273 L CB 2.469 44.578 42.059 0.083 0.000 1.306 273 L HN 0.335 nan 8.230 nan 0.000 0.430 274 T N -0.529 113.843 114.554 -0.304 0.000 2.930 274 T HA 0.212 4.562 4.350 -0.000 0.000 0.290 274 T C 0.985 175.520 174.700 -0.276 0.000 1.052 274 T CA -0.139 61.722 62.100 -0.398 0.000 1.017 274 T CB 1.766 70.626 68.868 -0.013 0.000 1.137 274 T HN 0.777 nan 8.240 nan 0.000 0.511 275 T N -0.282 114.075 114.554 -0.329 0.000 3.051 275 T HA 0.091 4.441 4.350 -0.000 0.000 0.269 275 T C 0.888 175.658 174.700 0.116 0.000 1.127 275 T CA 0.389 62.431 62.100 -0.096 0.000 1.107 275 T CB -0.375 67.931 68.868 -0.936 0.000 0.898 275 T HN 0.658 nan 8.240 nan 0.000 0.517 276 S N 0.092 115.887 115.700 0.157 0.000 3.538 276 S HA -0.172 4.298 4.470 -0.000 0.000 0.640 276 S C 0.064 174.893 174.600 0.382 0.000 2.388 276 S CA 0.255 58.585 58.200 0.216 0.000 2.560 276 S CB -1.296 61.927 63.200 0.039 0.000 0.328 276 S HN 0.485 nan 8.310 nan 0.000 1.791 277 F N 1.960 122.046 119.950 0.226 0.000 2.135 277 F HA 0.189 4.716 4.527 -0.000 0.000 0.280 277 F C 2.439 178.524 175.800 0.475 0.000 1.109 277 F CA 1.922 60.167 58.000 0.408 0.000 1.163 277 F CB -1.111 38.132 39.000 0.404 0.000 1.062 277 F HN 0.731 nan 8.300 nan 0.000 0.496 278 T N -0.851 113.629 114.554 -0.123 0.000 3.223 278 T HA 0.229 4.579 4.350 -0.000 0.000 0.259 278 T C 0.581 175.094 174.700 -0.312 0.000 1.015 278 T CA 0.207 62.069 62.100 -0.398 0.000 0.908 278 T CB -1.600 66.949 68.868 -0.533 0.000 1.054 278 T HN 0.363 nan 8.240 nan 0.000 0.567 279 T N 0.472 114.978 114.554 -0.080 0.000 2.701 279 T HA 0.214 4.564 4.350 -0.000 0.000 0.303 279 T C 0.209 174.873 174.700 -0.060 0.000 1.030 279 T CA -0.751 61.289 62.100 -0.100 0.000 1.010 279 T CB 0.237 69.024 68.868 -0.135 0.000 1.007 279 T HN 0.327 nan 8.240 nan 0.000 0.532 280 N N 1.119 119.830 118.700 0.017 0.000 2.529 280 N HA 0.419 5.159 4.740 -0.000 0.000 0.278 280 N C -1.460 174.235 175.510 0.308 0.000 1.146 280 N CA -0.388 52.654 53.050 -0.013 0.000 0.980 280 N CB 0.471 38.970 38.487 0.021 0.000 1.124 280 N HN 0.729 nan 8.380 nan 0.000 0.458 281 Y N -0.612 119.782 120.300 0.157 0.000 2.436 281 Y HA 0.389 4.939 4.550 -0.000 0.000 0.327 281 Y C -1.430 174.535 175.900 0.108 0.000 1.138 281 Y CA -1.349 56.885 58.100 0.224 0.000 1.042 281 Y CB 0.760 39.476 38.460 0.427 0.000 1.302 281 Y HN 0.462 nan 8.280 nan 0.000 0.439 282 D N 0.072 120.552 120.400 0.134 0.000 2.781 282 D HA 0.248 4.888 4.640 -0.000 0.000 0.295 282 D C 0.689 177.103 176.300 0.190 0.000 1.143 282 D CA -0.719 53.213 54.000 -0.113 0.000 1.076 282 D CB 0.899 41.547 40.800 -0.255 0.000 1.444 282 D HN 0.623 nan 8.370 nan 0.000 0.567 283 E N -0.213 120.097 120.200 0.184 0.000 2.023 283 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 283 E C 2.013 178.623 176.600 0.016 0.000 1.003 283 E CA 1.695 58.208 56.400 0.188 0.000 0.809 283 E CB -0.425 29.362 29.700 0.145 0.000 0.755 283 E HN 0.473 nan 8.360 nan 0.000 0.449 284 A N 0.298 123.098 122.820 -0.033 0.000 1.896 284 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 284 A C 2.456 179.943 177.584 -0.162 0.000 1.206 284 A CA 2.638 54.623 52.037 -0.086 0.000 0.647 284 A CB -1.391 17.562 19.000 -0.078 0.000 0.828 284 A HN 0.444 nan 8.150 nan 0.000 0.455 285 T N -0.598 113.846 114.554 -0.182 0.000 2.720 285 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 285 T C 1.857 176.152 174.700 -0.674 0.000 1.037 285 T CA 1.559 63.422 62.100 -0.395 0.000 1.144 285 T CB -0.433 68.287 68.868 -0.247 0.000 0.864 285 T HN 0.185 nan 8.240 nan 0.000 0.444 286 V N 2.331 122.020 119.914 -0.375 0.000 2.307 286 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 286 V C 2.512 178.350 176.094 -0.428 0.000 1.045 286 V CA 1.382 63.399 62.300 -0.472 0.000 1.024 286 V CB -0.548 31.032 31.823 -0.406 0.000 0.651 286 V HN 0.469 nan 8.190 nan 0.000 0.449 287 N N 0.078 118.614 118.700 -0.273 0.000 2.104 287 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 287 N C 2.168 177.588 175.510 -0.150 0.000 1.024 287 N CA 1.851 54.789 53.050 -0.186 0.000 0.853 287 N CB -0.337 38.074 38.487 -0.127 0.000 1.008 287 N HN 0.465 nan 8.380 nan 0.000 0.424 288 S N 0.036 115.612 115.700 -0.207 0.000 2.400 288 S HA -0.075 4.395 4.470 -0.000 0.000 0.232 288 S C 1.719 176.370 174.600 0.085 0.000 1.025 288 S CA 0.782 58.903 58.200 -0.133 0.000 0.993 288 S CB -0.208 62.862 63.200 -0.216 0.000 0.808 288 S HN 0.155 nan 8.310 nan 0.000 0.478 289 F N 1.569 121.534 119.950 0.026 0.000 2.128 289 F HA 0.157 4.684 4.527 -0.000 0.000 0.295 289 F C 2.166 178.057 175.800 0.152 0.000 1.100 289 F CA 0.090 58.184 58.000 0.157 0.000 1.260 289 F CB -1.170 37.855 39.000 0.041 0.000 1.009 289 F HN 0.215 nan 8.300 nan 0.000 0.476 290 I N 0.108 120.775 120.570 0.163 0.000 2.142 290 I HA -0.296 3.874 4.170 -0.000 0.000 0.240 290 I C 2.065 178.207 176.117 0.041 0.000 1.078 290 I CA 1.553 62.887 61.300 0.056 0.000 1.343 290 I CB -0.551 37.400 38.000 -0.081 0.000 1.046 290 I HN 0.024 nan 8.210 nan 0.000 0.405 291 D N 0.988 121.388 120.400 -0.000 0.000 2.182 291 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 291 D C 2.178 178.436 176.300 -0.070 0.000 0.986 291 D CA 1.556 55.532 54.000 -0.040 0.000 0.847 291 D CB -0.540 40.222 40.800 -0.063 0.000 0.942 291 D HN 0.451 nan 8.370 nan 0.000 0.467 292 G N 0.705 109.478 108.800 -0.045 0.000 2.404 292 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 292 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 292 G C 1.593 176.308 174.900 -0.308 0.000 1.174 292 G CA 0.514 45.390 45.100 -0.374 0.000 0.780 292 G HN 0.088 nan 8.290 nan 0.000 0.537 293 M N 1.300 120.980 119.600 0.133 0.000 2.065 293 M HA -0.012 4.468 4.480 -0.000 0.000 0.259 293 M C 3.088 179.415 176.300 0.045 0.000 1.071 293 M CA 1.552 56.971 55.300 0.198 0.000 1.109 293 M CB -1.443 31.293 32.600 0.226 0.000 1.313 293 M HN 0.312 nan 8.290 nan 0.000 0.408 294 A N 0.060 122.884 122.820 0.005 0.000 1.892 294 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 294 A C 2.072 179.629 177.584 -0.045 0.000 1.188 294 A CA 2.150 54.172 52.037 -0.024 0.000 0.631 294 A CB -0.977 18.002 19.000 -0.034 0.000 0.822 294 A HN 0.575 nan 8.150 nan 0.000 0.447 295 E N -0.826 119.325 120.200 -0.082 0.000 2.171 295 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 295 E C 1.840 178.387 176.600 -0.089 0.000 0.997 295 E CA 1.313 57.651 56.400 -0.103 0.000 0.810 295 E CB -0.090 29.514 29.700 -0.160 0.000 0.738 295 E HN 0.548 nan 8.360 nan 0.000 0.467 296 R N 0.304 120.755 120.500 -0.081 0.000 2.359 296 R HA 0.133 4.473 4.340 -0.000 0.000 0.231 296 R C -0.301 176.010 176.300 0.019 0.000 0.913 296 R CA -0.062 56.018 56.100 -0.032 0.000 1.075 296 R CB 0.240 30.529 30.300 -0.019 0.000 1.087 296 R HN 0.092 nan 8.270 nan 0.000 0.515 297 N N 1.271 119.976 118.700 0.008 0.000 2.714 297 N HA -0.192 4.548 4.740 -0.000 0.000 0.253 297 N C -1.110 174.429 175.510 0.047 0.000 1.024 297 N CA 0.949 54.011 53.050 0.019 0.000 0.726 297 N CB -1.090 37.405 38.487 0.013 0.000 0.908 297 N HN 0.295 nan 8.380 nan 0.000 0.542 298 L N 0.452 121.714 121.223 0.065 0.000 2.295 298 L HA 0.420 4.760 4.340 -0.000 0.000 0.281 298 L C -2.064 174.837 176.870 0.052 0.000 1.018 298 L CA -1.691 53.206 54.840 0.095 0.000 0.841 298 L CB 1.406 43.563 42.059 0.165 0.000 1.218 298 L HN -0.224 nan 8.230 nan 0.000 0.424 299 P HA 0.122 nan 4.420 nan 0.000 0.268 299 P C -0.950 176.212 177.300 -0.230 0.000 1.204 299 P CA -0.035 63.026 63.100 -0.065 0.000 0.768 299 P CB 0.942 32.691 31.700 0.082 0.000 0.842 300 L N 3.979 124.926 121.223 -0.460 0.000 2.431 300 L HA 0.330 4.670 4.340 -0.000 0.000 0.266 300 L C -0.087 176.401 176.870 -0.636 0.000 0.978 300 L CA -0.448 54.152 54.840 -0.401 0.000 0.822 300 L CB 1.962 43.964 42.059 -0.095 0.000 1.310 300 L HN 0.539 nan 8.230 nan 0.000 0.409 301 H N 2.538 121.629 119.070 0.035 0.000 2.735 301 H HA 0.317 4.873 4.556 -0.000 0.000 0.250 301 H C -0.384 174.849 175.328 -0.159 0.000 0.948 301 H CA 0.019 56.056 56.048 -0.018 0.000 1.137 301 H CB 1.123 30.931 29.762 0.077 0.000 1.440 301 H HN 0.248 nan 8.280 nan 0.000 0.444 302 V N 1.253 121.054 119.914 -0.189 0.000 2.588 302 V HA 0.245 4.365 4.120 -0.000 0.000 0.304 302 V C -1.434 174.538 176.094 -0.203 0.000 1.042 302 V CA -0.892 61.139 62.300 -0.448 0.000 0.877 302 V CB 2.321 33.336 31.823 -1.348 0.000 0.996 302 V HN 0.138 nan 8.190 nan 0.000 0.425 303 F N 3.774 123.577 119.950 -0.245 0.000 2.458 303 F HA 0.702 5.229 4.527 -0.000 0.000 0.336 303 F C -0.319 175.417 175.800 -0.107 0.000 1.114 303 F CA -0.434 57.474 58.000 -0.153 0.000 0.987 303 F CB 1.344 40.249 39.000 -0.158 0.000 1.130 303 F HN 0.722 nan 8.300 nan 0.000 0.458 304 H N 5.376 123.813 119.070 -1.055 0.000 2.466 304 H HA 0.439 4.995 4.556 -0.000 0.000 0.338 304 H C -1.679 173.204 175.328 -0.742 0.000 1.091 304 H CA -0.702 54.978 56.048 -0.613 0.000 1.207 304 H CB 0.854 30.346 29.762 -0.449 0.000 1.466 304 H HN 0.512 nan 8.280 nan 0.000 0.493 305 F N 4.030 123.486 119.950 -0.824 0.000 2.391 305 F HA 0.176 4.703 4.527 -0.000 0.000 0.359 305 F C 0.652 176.073 175.800 -0.631 0.000 1.122 305 F CA -0.411 57.285 58.000 -0.506 0.000 1.120 305 F CB 0.744 39.604 39.000 -0.234 0.000 1.142 305 F HN 0.647 nan 8.300 nan 0.000 0.483 306 D N 1.260 121.554 120.400 -0.177 0.000 2.478 306 D HA 0.161 4.801 4.640 -0.000 0.000 0.274 306 D C 1.121 177.608 176.300 0.311 0.000 1.234 306 D CA -0.450 53.638 54.000 0.148 0.000 1.069 306 D CB 0.880 41.841 40.800 0.268 0.000 1.113 306 D HN 0.571 nan 8.370 nan 0.000 0.571 307 C N -0.387 118.786 119.300 -0.212 0.000 2.391 307 C HA -0.189 4.271 4.460 -0.000 0.000 0.276 307 C C 2.394 176.811 174.990 -0.955 0.000 1.217 307 C CA 0.411 58.684 59.018 -1.242 0.000 1.766 307 C CB -1.350 25.049 27.740 -2.234 0.000 2.046 307 C HN 0.502 nan 8.230 nan 0.000 0.475 308 F N 1.512 121.405 119.950 -0.095 0.000 2.805 308 F HA -0.017 4.510 4.527 -0.000 0.000 0.301 308 F C 2.127 178.139 175.800 0.354 0.000 1.196 308 F CA 0.277 58.340 58.000 0.106 0.000 1.439 308 F CB -0.728 38.228 39.000 -0.074 0.000 1.117 308 F HN 0.590 nan 8.300 nan 0.000 0.581 309 W N -0.277 121.270 121.300 0.412 0.000 2.392 309 W HA -0.024 4.635 4.660 -0.000 0.000 0.279 309 W C 0.222 176.799 176.519 0.097 0.000 1.225 309 W CA 0.352 57.834 57.345 0.228 0.000 1.233 309 W CB -0.656 28.605 29.460 -0.333 0.000 1.122 309 W HN -0.010 nan 8.180 nan 0.000 0.561 310 M N 1.370 120.651 119.600 -0.532 0.000 2.471 310 M HA 0.254 4.734 4.480 -0.000 0.000 0.309 310 M C 0.315 176.658 176.300 0.072 0.000 1.186 310 M CA -0.531 54.531 55.300 -0.396 0.000 1.008 310 M CB 1.568 33.769 32.600 -0.665 0.000 1.551 310 M HN -0.368 nan 8.290 nan 0.000 0.477 311 K N 1.150 121.608 120.400 0.095 0.000 2.401 311 K HA 0.308 4.628 4.320 -0.000 0.000 0.278 311 K C -0.307 176.241 176.600 -0.087 0.000 1.018 311 K CA -0.386 55.948 56.287 0.078 0.000 0.981 311 K CB 0.551 33.085 32.500 0.058 0.000 0.933 311 K HN 0.711 nan 8.250 nan 0.000 0.477 312 A N 2.858 125.518 122.820 -0.268 0.000 2.565 312 A HA 0.063 4.383 4.320 -0.000 0.000 0.237 312 A C 0.047 177.110 177.584 -0.869 0.000 1.053 312 A CA 0.164 51.663 52.037 -0.897 0.000 0.755 312 A CB -0.647 17.864 19.000 -0.815 0.000 0.980 312 A HN 0.786 nan 8.150 nan 0.000 0.506 313 F N -1.159 118.169 119.950 -1.036 0.000 2.825 313 F HA -0.252 4.275 4.527 -0.000 0.000 0.358 313 F C 1.248 176.789 175.800 -0.430 0.000 0.639 313 F CA 1.709 59.298 58.000 -0.685 0.000 1.153 313 F CB -1.943 36.804 39.000 -0.421 0.000 1.610 313 F HN 0.742 nan 8.300 nan 0.000 0.305 314 Q N -1.430 118.219 119.800 -0.251 0.000 2.159 314 Q HA 0.068 4.407 4.340 -0.000 0.000 0.217 314 Q C -0.141 175.929 176.000 0.116 0.000 0.818 314 Q CA -0.344 55.454 55.803 -0.009 0.000 1.008 314 Q CB 0.394 29.152 28.738 0.034 0.000 1.148 314 Q HN 0.288 nan 8.270 nan 0.000 0.491 315 W N 0.153 121.419 121.300 -0.058 0.000 2.251 315 W HA 0.063 4.723 4.660 -0.000 0.000 0.327 315 W C 0.831 177.461 176.519 0.185 0.000 1.361 315 W CA -0.987 56.358 57.345 -0.001 0.000 1.234 315 W CB 0.153 29.602 29.460 -0.018 0.000 1.212 315 W HN 0.181 nan 8.180 nan 0.000 0.557 316 C N 3.285 122.811 119.300 0.377 0.000 4.677 316 C HA -0.237 4.223 4.460 -0.000 0.000 0.268 316 C C 1.293 176.191 174.990 -0.152 0.000 1.144 316 C CA 0.662 59.742 59.018 0.103 0.000 2.064 316 C CB -2.380 25.393 27.740 0.055 0.000 1.491 316 C HN 0.764 nan 8.230 nan 0.000 0.685 317 D N -1.196 119.117 120.400 -0.145 0.000 2.407 317 D HA 0.203 4.843 4.640 -0.000 0.000 0.208 317 D C 0.901 177.264 176.300 0.105 0.000 1.083 317 D CA 0.329 54.390 54.000 0.102 0.000 0.844 317 D CB -0.271 40.669 40.800 0.233 0.000 0.967 317 D HN 0.510 nan 8.370 nan 0.000 0.506 318 F N -0.138 119.838 119.950 0.042 0.000 2.884 318 F HA -0.175 4.352 4.527 -0.000 0.000 0.294 318 F C -0.230 175.628 175.800 0.097 0.000 0.723 318 F CA 0.309 58.344 58.000 0.059 0.000 1.294 318 F CB -2.008 37.040 39.000 0.080 0.000 1.551 318 F HN -0.048 nan 8.300 nan 0.000 0.363 319 E N 0.237 120.493 120.200 0.094 0.000 2.133 319 E HA 0.221 4.571 4.350 -0.000 0.000 0.274 319 E C -0.355 176.345 176.600 0.167 0.000 0.930 319 E CA -0.759 55.775 56.400 0.225 0.000 0.770 319 E CB 0.486 30.314 29.700 0.214 0.000 1.104 319 E HN 0.192 nan 8.360 nan 0.000 0.403 320 W N 2.013 123.544 121.300 0.385 0.000 2.295 320 W HA -0.044 4.616 4.660 -0.000 0.000 0.335 320 W C 1.064 177.776 176.519 0.322 0.000 1.351 320 W CA 0.169 57.779 57.345 0.442 0.000 1.273 320 W CB 0.314 29.993 29.460 0.364 0.000 1.214 320 W HN 0.304 nan 8.180 nan 0.000 0.563 321 D N 5.934 126.667 120.400 0.555 0.000 2.426 321 D HA -0.051 4.589 4.640 -0.000 0.000 0.261 321 D C -1.134 175.417 176.300 0.418 0.000 1.245 321 D CA -1.152 53.099 54.000 0.419 0.000 0.917 321 D CB 1.124 42.175 40.800 0.418 0.000 1.123 321 D HN 0.125 nan 8.370 nan 0.000 0.508 322 P HA -0.000 nan 4.420 nan 0.000 0.245 322 P C 1.412 178.800 177.300 0.147 0.000 1.206 322 P CA 0.387 63.623 63.100 0.226 0.000 0.781 322 P CB 0.360 32.166 31.700 0.176 0.000 0.994 323 L N -1.270 120.023 121.223 0.116 0.000 2.202 323 L HA 0.041 4.381 4.340 -0.000 0.000 0.205 323 L C 2.229 179.096 176.870 -0.005 0.000 1.083 323 L CA 1.274 56.144 54.840 0.050 0.000 0.790 323 L CB -1.384 40.697 42.059 0.035 0.000 0.942 323 L HN -0.085 nan 8.230 nan 0.000 0.452 324 T N -0.437 114.102 114.554 -0.025 0.000 2.937 324 T HA 0.036 4.386 4.350 -0.000 0.000 0.260 324 T C 0.148 174.558 174.700 -0.483 0.000 1.051 324 T CA 1.002 62.937 62.100 -0.276 0.000 1.141 324 T CB -0.014 68.665 68.868 -0.315 0.000 0.879 324 T HN -0.013 nan 8.240 nan 0.000 0.459 325 F N 0.863 120.939 119.950 0.209 0.000 2.686 325 F HA 0.383 4.910 4.527 -0.000 0.000 0.365 325 F C -2.252 173.601 175.800 0.087 0.000 1.196 325 F CA -2.606 55.494 58.000 0.167 0.000 1.198 325 F CB 1.577 40.761 39.000 0.306 0.000 1.454 325 F HN -0.077 nan 8.300 nan 0.000 0.539 326 P HA -0.108 nan 4.420 nan 0.000 0.222 326 P C 0.125 177.451 177.300 0.044 0.000 1.147 326 P CA 1.342 64.496 63.100 0.092 0.000 0.790 326 P CB 0.345 32.071 31.700 0.044 0.000 0.780 327 D N -1.676 118.728 120.400 0.007 0.000 2.621 327 D HA 0.107 4.747 4.640 -0.000 0.000 0.274 327 D C -1.734 174.432 176.300 -0.223 0.000 1.215 327 D CA -1.996 51.953 54.000 -0.086 0.000 0.810 327 D CB 0.406 41.171 40.800 -0.060 0.000 1.248 327 D HN -0.102 nan 8.370 nan 0.000 0.517 328 P HA -0.185 nan 4.420 nan 0.000 0.215 328 P C 1.351 178.255 177.300 -0.661 0.000 1.157 328 P CA 0.991 63.514 63.100 -0.962 0.000 0.868 328 P CB 0.498 31.009 31.700 -1.980 0.000 0.788 329 E N -0.186 119.742 120.200 -0.452 0.000 2.097 329 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 329 E C 2.289 178.754 176.600 -0.226 0.000 1.000 329 E CA 1.593 57.817 56.400 -0.294 0.000 0.804 329 E CB -0.893 28.691 29.700 -0.193 0.000 0.740 329 E HN 0.223 nan 8.360 nan 0.000 0.454 330 G N 0.831 109.517 108.800 -0.190 0.000 2.408 330 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 330 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 330 G C 1.515 176.334 174.900 -0.135 0.000 1.150 330 G CA 0.766 45.784 45.100 -0.137 0.000 0.776 330 G HN 0.293 nan 8.290 nan 0.000 0.542 331 M N -0.001 119.500 119.600 -0.165 0.000 2.086 331 M HA 0.036 4.516 4.480 -0.000 0.000 0.261 331 M C 2.420 178.645 176.300 -0.125 0.000 1.067 331 M CA 1.447 56.677 55.300 -0.116 0.000 1.116 331 M CB -0.223 32.313 32.600 -0.106 0.000 1.348 331 M HN 0.213 nan 8.290 nan 0.000 0.407 332 I N -0.005 120.437 120.570 -0.214 0.000 2.142 332 I HA -0.324 3.846 4.170 -0.000 0.000 0.240 332 I C 2.694 178.734 176.117 -0.129 0.000 1.078 332 I CA 1.703 62.900 61.300 -0.172 0.000 1.343 332 I CB -0.644 37.209 38.000 -0.246 0.000 1.046 332 I HN 0.405 nan 8.210 nan 0.000 0.405 333 R N 1.288 121.705 120.500 -0.138 0.000 2.119 333 R HA -0.246 4.094 4.340 -0.000 0.000 0.246 333 R C 2.395 178.637 176.300 -0.096 0.000 1.146 333 R CA 1.885 57.917 56.100 -0.113 0.000 0.962 333 R CB -0.249 29.987 30.300 -0.107 0.000 0.863 333 R HN 0.231 nan 8.270 nan 0.000 0.442 334 R N 0.063 120.510 120.500 -0.089 0.000 2.092 334 R HA -0.037 4.303 4.340 -0.000 0.000 0.231 334 R C 2.391 178.644 176.300 -0.079 0.000 1.119 334 R CA 1.596 57.650 56.100 -0.077 0.000 0.970 334 R CB -0.234 30.025 30.300 -0.068 0.000 0.864 334 R HN 0.287 nan 8.270 nan 0.000 0.440 335 L N 0.451 121.628 121.223 -0.077 0.000 2.093 335 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 335 L C 2.150 178.966 176.870 -0.089 0.000 1.085 335 L CA 1.362 56.153 54.840 -0.081 0.000 0.755 335 L CB -0.276 41.754 42.059 -0.049 0.000 0.904 335 L HN 0.134 nan 8.230 nan 0.000 0.435 336 K N 0.109 120.451 120.400 -0.098 0.000 2.148 336 K HA -0.082 4.238 4.320 -0.000 0.000 0.204 336 K C 2.053 178.588 176.600 -0.107 0.000 1.050 336 K CA 1.176 57.392 56.287 -0.119 0.000 0.942 336 K CB -0.151 32.268 32.500 -0.135 0.000 0.724 336 K HN 0.252 nan 8.250 nan 0.000 0.446 337 A N 1.421 124.185 122.820 -0.092 0.000 2.168 337 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 337 A C 1.389 178.928 177.584 -0.075 0.000 1.152 337 A CA 1.034 53.023 52.037 -0.080 0.000 0.716 337 A CB -0.083 18.874 19.000 -0.072 0.000 0.794 337 A HN 0.151 nan 8.150 nan 0.000 0.465 338 K N -1.055 119.297 120.400 -0.079 0.000 2.469 338 K HA 0.287 4.607 4.320 -0.000 0.000 0.201 338 K C 0.890 177.446 176.600 -0.074 0.000 1.028 338 K CA 0.419 56.662 56.287 -0.073 0.000 1.170 338 K CB 0.049 32.503 32.500 -0.075 0.000 0.874 338 K HN 0.550 nan 8.250 nan 0.000 0.507 339 G N 1.081 109.832 108.800 -0.082 0.000 2.157 339 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.239 339 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.239 339 G C -0.095 174.741 174.900 -0.106 0.000 0.982 339 G CA -0.400 44.652 45.100 -0.080 0.000 0.650 339 G HN 0.173 nan 8.290 nan 0.000 0.527 340 L N 1.070 122.217 121.223 -0.128 0.000 2.307 340 L HA 0.510 4.850 4.340 -0.000 0.000 0.282 340 L C 0.624 177.343 176.870 -0.252 0.000 1.051 340 L CA -1.046 53.705 54.840 -0.150 0.000 0.804 340 L CB 1.067 43.069 42.059 -0.095 0.000 1.197 340 L HN -0.111 nan 8.230 nan 0.000 0.431 341 K N 3.090 123.269 120.400 -0.369 0.000 2.202 341 K HA 0.496 4.816 4.320 -0.000 0.000 0.264 341 K C -0.671 175.718 176.600 -0.353 0.000 1.010 341 K CA -0.339 55.607 56.287 -0.569 0.000 0.940 341 K CB 1.467 33.273 32.500 -1.156 0.000 0.983 341 K HN 0.328 nan 8.250 nan 0.000 0.475 342 I N 0.864 121.246 120.570 -0.314 0.000 2.418 342 I HA 0.148 4.318 4.170 -0.000 0.000 0.287 342 I C -0.472 175.556 176.117 -0.148 0.000 1.008 342 I CA -0.443 60.778 61.300 -0.131 0.000 1.104 342 I CB 1.723 39.698 38.000 -0.041 0.000 1.264 342 I HN 0.470 nan 8.210 nan 0.000 0.438 343 C N 7.309 126.582 119.300 -0.046 0.000 2.435 343 C HA 0.908 5.368 4.460 -0.000 0.000 0.333 343 C C -0.288 174.752 174.990 0.082 0.000 1.202 343 C CA -0.315 58.726 59.018 0.039 0.000 1.830 343 C CB 0.946 28.823 27.740 0.228 0.000 2.326 343 C HN 0.672 nan 8.230 nan 0.000 0.507 344 V N 2.772 122.712 119.914 0.043 0.000 2.962 344 V HA 0.711 4.831 4.120 -0.000 0.000 0.313 344 V C -0.954 175.383 176.094 0.406 0.000 1.099 344 V CA -0.869 61.397 62.300 -0.057 0.000 0.971 344 V CB 1.521 32.980 31.823 -0.607 0.000 1.028 344 V HN 1.096 nan 8.190 nan 0.000 0.430 345 W N 5.507 127.033 121.300 0.377 0.000 2.272 345 W HA 0.765 5.425 4.660 -0.000 0.000 0.318 345 W C -0.320 176.523 176.519 0.540 0.000 1.255 345 W CA -0.284 57.367 57.345 0.510 0.000 1.200 345 W CB 1.005 30.701 29.460 0.393 0.000 1.170 345 W HN 0.910 nan 8.180 nan 0.000 0.549 346 I N 4.270 124.665 120.570 -0.291 0.000 3.191 346 I HA 0.651 4.821 4.170 -0.000 0.000 0.313 346 I C -1.162 174.322 176.117 -1.054 0.000 1.193 346 I CA -1.175 59.834 61.300 -0.486 0.000 0.968 346 I CB 2.236 40.274 38.000 0.063 0.000 1.262 346 I HN 0.641 nan 8.210 nan 0.000 0.456 347 N N 1.753 120.104 118.700 -0.582 0.000 3.039 347 N HA 0.531 5.271 4.740 -0.000 0.000 0.257 347 N C -2.915 172.561 175.510 -0.058 0.000 1.497 347 N CA -1.676 51.205 53.050 -0.281 0.000 0.861 347 N CB 1.485 39.774 38.487 -0.331 0.000 1.479 347 N HN 0.419 nan 8.380 nan 0.000 0.547 348 P HA 0.272 nan 4.420 nan 0.000 0.259 348 P C -1.056 176.393 177.300 0.248 0.000 1.530 348 P CA 0.277 63.281 63.100 -0.160 0.000 1.022 348 P CB -0.348 31.006 31.700 -0.577 0.000 1.514 349 Y N -0.141 120.380 120.300 0.368 0.000 2.598 349 Y HA 0.612 5.162 4.550 -0.000 0.000 0.340 349 Y C 0.385 176.467 175.900 0.302 0.000 1.038 349 Y CA -2.420 55.836 58.100 0.259 0.000 1.100 349 Y CB 1.452 40.074 38.460 0.271 0.000 1.281 349 Y HN -0.235 nan 8.280 nan 0.000 0.488 350 I N 0.665 121.419 120.570 0.307 0.000 2.607 350 I HA 0.664 4.834 4.170 -0.000 0.000 0.290 350 I C -0.133 176.177 176.117 0.321 0.000 1.129 350 I CA -0.656 60.816 61.300 0.288 0.000 1.042 350 I CB 1.765 39.828 38.000 0.106 0.000 1.242 350 I HN 0.774 nan 8.210 nan 0.000 0.421 351 G N 4.302 113.256 108.800 0.256 0.000 2.483 351 G HA2 0.093 4.053 3.960 -0.000 0.000 0.248 351 G HA3 0.093 4.053 3.960 -0.000 0.000 0.248 351 G C 0.330 175.254 174.900 0.040 0.000 1.248 351 G CA -0.194 44.977 45.100 0.118 0.000 0.838 351 G HN 0.869 nan 8.290 nan 0.000 0.566 352 Q N 1.133 120.771 119.800 -0.271 0.000 2.135 352 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 352 Q C 2.267 178.005 176.000 -0.436 0.000 0.981 352 Q CA 1.727 57.031 55.803 -0.832 0.000 0.856 352 Q CB -0.075 28.166 28.738 -0.828 0.000 0.902 352 Q HN 0.706 nan 8.270 nan 0.000 0.425 353 K N 0.309 120.576 120.400 -0.222 0.000 2.281 353 K HA -0.085 4.235 4.320 -0.000 0.000 0.203 353 K C 0.524 177.114 176.600 -0.017 0.000 1.046 353 K CA 0.653 56.869 56.287 -0.117 0.000 0.938 353 K CB -0.107 32.352 32.500 -0.069 0.000 0.737 353 K HN 0.048 nan 8.250 nan 0.000 0.458 354 S N 0.946 116.674 115.700 0.047 0.000 2.537 354 S HA 0.081 4.551 4.470 -0.000 0.000 0.286 354 S C -1.899 172.793 174.600 0.155 0.000 1.299 354 S CA -1.414 56.862 58.200 0.128 0.000 1.067 354 S CB 0.981 64.301 63.200 0.199 0.000 0.864 354 S HN 0.058 nan 8.310 nan 0.000 0.494 355 P HA -0.069 nan 4.420 nan 0.000 0.222 355 P C 1.101 178.514 177.300 0.189 0.000 1.142 355 P CA 0.560 63.747 63.100 0.146 0.000 0.788 355 P CB 0.115 31.897 31.700 0.137 0.000 0.767 356 V N -1.848 118.210 119.914 0.240 0.000 2.788 356 V HA -0.131 3.989 4.120 -0.000 0.000 0.251 356 V C 1.940 178.142 176.094 0.180 0.000 1.068 356 V CA 0.822 63.286 62.300 0.274 0.000 1.090 356 V CB -1.105 30.974 31.823 0.427 0.000 0.710 356 V HN 0.031 nan 8.190 nan 0.000 0.467 357 F N 1.696 121.673 119.950 0.045 0.000 2.065 357 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 357 F C 2.490 178.258 175.800 -0.054 0.000 1.112 357 F CA 2.433 60.418 58.000 -0.025 0.000 1.212 357 F CB -0.216 38.772 39.000 -0.019 0.000 0.975 357 F HN -0.002 nan 8.300 nan 0.000 0.476 358 K N 0.452 121.017 120.400 0.275 0.000 2.103 358 K HA -0.296 4.024 4.320 -0.000 0.000 0.207 358 K C 2.222 178.809 176.600 -0.022 0.000 1.048 358 K CA 1.941 58.309 56.287 0.134 0.000 0.930 358 K CB -0.453 32.122 32.500 0.125 0.000 0.716 358 K HN 0.561 nan 8.250 nan 0.000 0.444 359 E N 0.583 120.768 120.200 -0.024 0.000 2.051 359 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 359 E C 2.113 178.546 176.600 -0.278 0.000 0.991 359 E CA 1.183 57.530 56.400 -0.089 0.000 0.799 359 E CB -0.084 29.630 29.700 0.023 0.000 0.748 359 E HN 0.339 nan 8.360 nan 0.000 0.449 360 L N 0.608 121.612 121.223 -0.365 0.000 2.109 360 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 360 L C 2.943 179.535 176.870 -0.463 0.000 1.086 360 L CA 1.318 55.842 54.840 -0.527 0.000 0.760 360 L CB -0.446 41.281 42.059 -0.554 0.000 0.910 360 L HN 0.280 nan 8.230 nan 0.000 0.437 361 Q N 0.485 120.024 119.800 -0.434 0.000 2.084 361 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 361 Q C 2.001 177.875 176.000 -0.210 0.000 0.978 361 Q CA 1.697 57.309 55.803 -0.318 0.000 0.844 361 Q CB 0.066 28.660 28.738 -0.239 0.000 0.898 361 Q HN 0.525 nan 8.270 nan 0.000 0.426 362 E N 0.162 120.248 120.200 -0.190 0.000 2.106 362 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 362 E C 1.857 178.331 176.600 -0.209 0.000 0.984 362 E CA 1.045 57.356 56.400 -0.147 0.000 0.806 362 E CB 0.127 29.765 29.700 -0.103 0.000 0.750 362 E HN 0.259 nan 8.360 nan 0.000 0.458 363 K N -0.611 119.559 120.400 -0.383 0.000 2.366 363 K HA 0.013 4.333 4.320 -0.000 0.000 0.198 363 K C 0.938 177.279 176.600 -0.432 0.000 1.044 363 K CA 0.528 56.455 56.287 -0.600 0.000 0.973 363 K CB 0.357 32.055 32.500 -1.336 0.000 0.767 363 K HN 0.230 nan 8.250 nan 0.000 0.475 364 G N 0.897 109.543 108.800 -0.257 0.000 2.182 364 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 364 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 364 G C 0.119 175.115 174.900 0.160 0.000 1.042 364 G CA -0.052 45.033 45.100 -0.024 0.000 0.775 364 G HN 0.235 nan 8.290 nan 0.000 0.501 365 Y N -0.660 119.556 120.300 -0.140 0.000 2.482 365 Y HA 0.407 4.957 4.550 -0.000 0.000 0.270 365 Y C 1.774 177.587 175.900 -0.145 0.000 1.152 365 Y CA -0.500 57.519 58.100 -0.135 0.000 1.292 365 Y CB 0.148 38.487 38.460 -0.202 0.000 1.070 365 Y HN 0.333 nan 8.280 nan 0.000 0.528 366 L N 0.355 121.541 121.223 -0.061 0.000 2.334 366 L HA 0.291 4.631 4.340 -0.000 0.000 0.275 366 L C -0.254 176.543 176.870 -0.121 0.000 1.036 366 L CA -1.318 53.421 54.840 -0.168 0.000 0.807 366 L CB 1.308 43.184 42.059 -0.305 0.000 1.231 366 L HN -0.178 nan 8.230 nan 0.000 0.438 367 L N 3.289 124.406 121.223 -0.176 0.000 2.559 367 L HA 0.032 4.372 4.340 -0.000 0.000 0.274 367 L C -0.087 176.681 176.870 -0.170 0.000 1.205 367 L CA 0.826 55.497 54.840 -0.281 0.000 0.907 367 L CB -0.239 41.494 42.059 -0.543 0.000 1.153 367 L HN 0.463 nan 8.230 nan 0.000 0.490 368 K N 5.551 125.853 120.400 -0.163 0.000 2.156 368 K HA 0.471 4.791 4.320 -0.000 0.000 0.254 368 K C -0.187 176.367 176.600 -0.077 0.000 0.950 368 K CA -0.895 55.348 56.287 -0.073 0.000 0.849 368 K CB 1.516 33.994 32.500 -0.037 0.000 1.100 368 K HN 0.590 nan 8.250 nan 0.000 0.434 369 R N 1.421 121.924 120.500 0.005 0.000 2.707 369 R HA 0.048 4.388 4.340 -0.000 0.000 0.270 369 R C -1.675 174.623 176.300 -0.005 0.000 1.083 369 R CA -1.572 54.541 56.100 0.023 0.000 1.182 369 R CB -0.115 30.217 30.300 0.053 0.000 1.084 369 R HN 0.335 nan 8.270 nan 0.000 0.528 370 P HA -0.194 nan 4.420 nan 0.000 0.218 370 P C 0.346 177.648 177.300 0.004 0.000 1.146 370 P CA 1.380 64.483 63.100 0.004 0.000 0.813 370 P CB 0.055 31.764 31.700 0.015 0.000 0.778 371 D N -2.175 118.228 120.400 0.006 0.000 2.349 371 D HA 0.054 4.694 4.640 -0.000 0.000 0.224 371 D C 1.496 177.796 176.300 0.001 0.000 1.029 371 D CA 0.839 54.841 54.000 0.004 0.000 0.879 371 D CB -0.699 40.103 40.800 0.004 0.000 0.906 371 D HN 0.253 nan 8.370 nan 0.000 0.528 372 G N 0.146 108.946 108.800 -0.001 0.000 2.232 372 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.226 372 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.226 372 G C 0.458 175.357 174.900 -0.003 0.000 0.996 372 G CA 0.288 45.387 45.100 -0.001 0.000 0.626 372 G HN 0.783 nan 8.290 nan 0.000 0.509 373 S N 0.814 116.512 115.700 -0.002 0.000 2.589 373 S HA 0.651 5.121 4.470 -0.000 0.000 0.265 373 S C 0.655 175.255 174.600 -0.000 0.000 1.342 373 S CA -0.570 57.628 58.200 -0.004 0.000 1.005 373 S CB 1.204 64.397 63.200 -0.010 0.000 0.909 373 S HN 0.704 nan 8.310 nan 0.000 0.555 374 L N 0.999 122.224 121.223 0.003 0.000 2.426 374 L HA 0.193 4.533 4.340 -0.000 0.000 0.271 374 L C 0.210 177.098 176.870 0.030 0.000 1.169 374 L CA -0.535 54.314 54.840 0.016 0.000 0.836 374 L CB 0.199 42.278 42.059 0.033 0.000 1.112 374 L HN 0.821 nan 8.230 nan 0.000 0.465 375 W N 4.527 125.746 121.300 -0.134 0.000 2.368 375 W HA 0.232 4.892 4.660 -0.000 0.000 0.316 375 W C -0.267 176.170 176.519 -0.136 0.000 1.375 375 W CA 0.072 57.320 57.345 -0.162 0.000 1.261 375 W CB 0.377 29.681 29.460 -0.260 0.000 1.298 375 W HN 0.450 nan 8.180 nan 0.000 0.539 376 Q N 5.373 124.720 119.800 -0.754 0.000 2.416 376 Q HA 0.398 4.738 4.340 -0.000 0.000 0.281 376 Q C -1.015 174.483 176.000 -0.837 0.000 1.067 376 Q CA -0.886 54.567 55.803 -0.583 0.000 0.809 376 Q CB 2.537 31.158 28.738 -0.195 0.000 1.418 376 Q HN 0.555 nan 8.270 nan 0.000 0.411 377 W N 0.315 121.230 121.300 -0.641 0.000 2.940 377 W HA 0.510 5.170 4.660 -0.000 0.000 0.394 377 W C -1.060 175.351 176.519 -0.180 0.000 1.155 377 W CA -0.922 56.180 57.345 -0.405 0.000 1.165 377 W CB -0.086 29.140 29.460 -0.391 0.000 1.492 377 W HN 0.482 nan 8.180 nan 0.000 0.593 378 D N 0.388 120.791 120.400 0.005 0.000 2.395 378 D HA 0.125 4.765 4.640 -0.000 0.000 0.213 378 D C -0.308 175.876 176.300 -0.194 0.000 1.110 378 D CA 0.068 54.013 54.000 -0.092 0.000 0.835 378 D CB 0.503 41.234 40.800 -0.115 0.000 0.965 378 D HN 0.161 nan 8.370 nan 0.000 0.505 379 K N 0.210 120.295 120.400 -0.524 0.000 2.326 379 K HA 0.039 4.359 4.320 -0.000 0.000 0.275 379 K C 0.726 177.416 176.600 0.150 0.000 1.018 379 K CA -0.379 55.693 56.287 -0.358 0.000 0.962 379 K CB 1.502 33.496 32.500 -0.843 0.000 0.953 379 K HN 0.068 nan 8.250 nan 0.000 0.475 380 W N 0.271 121.609 121.300 0.064 0.000 0.764 380 W HA -0.401 4.259 4.660 -0.000 0.000 0.224 380 W C -0.763 175.835 176.519 0.132 0.000 1.033 380 W CA 1.676 59.125 57.345 0.173 0.000 0.992 380 W CB -0.464 29.103 29.460 0.179 0.000 1.776 380 W HN 0.573 nan 8.180 nan 0.000 0.507 381 Q N 0.537 120.361 119.800 0.040 0.000 2.413 381 Q HA 0.444 4.784 4.340 -0.000 0.000 0.276 381 Q C -2.336 173.647 176.000 -0.028 0.000 1.099 381 Q CA -1.830 53.919 55.803 -0.089 0.000 0.814 381 Q CB 1.358 30.071 28.738 -0.042 0.000 1.379 381 Q HN -0.094 nan 8.270 nan 0.000 0.436 382 P HA 0.092 nan 4.420 nan 0.000 0.271 382 P C 0.437 177.646 177.300 -0.151 0.000 1.226 382 P CA 0.603 63.589 63.100 -0.191 0.000 0.765 382 P CB 0.307 31.781 31.700 -0.377 0.000 0.835 383 G N 2.809 111.539 108.800 -0.117 0.000 2.225 383 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 383 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 383 G C 0.013 174.908 174.900 -0.008 0.000 1.024 383 G CA -0.172 44.849 45.100 -0.132 0.000 0.784 383 G HN 0.624 nan 8.290 nan 0.000 0.507 384 L N 0.215 121.510 121.223 0.120 0.000 2.559 384 L HA 0.483 4.823 4.340 -0.000 0.000 0.274 384 L C 0.747 177.776 176.870 0.264 0.000 1.205 384 L CA 0.572 55.561 54.840 0.248 0.000 0.907 384 L CB 0.356 42.637 42.059 0.369 0.000 1.153 384 L HN 0.612 nan 8.230 nan 0.000 0.490 385 A N 6.456 129.454 122.820 0.297 0.000 2.346 385 A HA 0.789 5.109 4.320 -0.000 0.000 0.313 385 A C -0.711 176.914 177.584 0.069 0.000 1.140 385 A CA -0.770 51.378 52.037 0.184 0.000 0.826 385 A CB 1.083 20.128 19.000 0.076 0.000 1.332 385 A HN 0.701 nan 8.150 nan 0.000 0.457 386 I N 0.483 121.030 120.570 -0.038 0.000 2.404 386 I HA 0.245 4.415 4.170 -0.000 0.000 0.293 386 I C -1.160 174.852 176.117 -0.175 0.000 0.992 386 I CA -0.437 60.830 61.300 -0.056 0.000 1.149 386 I CB 1.470 39.348 38.000 -0.203 0.000 1.315 386 I HN 0.635 nan 8.210 nan 0.000 0.446 387 Y N 3.515 123.709 120.300 -0.177 0.000 2.544 387 Y HA -0.019 4.531 4.550 -0.000 0.000 0.330 387 Y C 0.699 176.338 175.900 -0.434 0.000 1.136 387 Y CA 0.033 57.901 58.100 -0.387 0.000 1.417 387 Y CB 0.244 38.264 38.460 -0.733 0.000 1.229 387 Y HN 0.446 nan 8.280 nan 0.000 0.532 388 D N 4.505 124.879 120.400 -0.043 0.000 2.422 388 D HA 0.041 4.681 4.640 -0.000 0.000 0.227 388 D C -0.065 176.361 176.300 0.209 0.000 1.190 388 D CA 0.018 54.127 54.000 0.181 0.000 0.905 388 D CB -0.239 40.658 40.800 0.161 0.000 1.034 388 D HN 0.527 nan 8.370 nan 0.000 0.507 389 F N 1.298 121.418 119.950 0.284 0.000 2.816 389 F HA -0.033 4.494 4.527 -0.000 0.000 0.302 389 F C 2.202 178.011 175.800 0.016 0.000 1.178 389 F CA 0.148 58.156 58.000 0.013 0.000 1.421 389 F CB 0.280 39.154 39.000 -0.211 0.000 1.114 389 F HN 0.340 nan 8.300 nan 0.000 0.573 390 T N -3.498 111.241 114.554 0.309 0.000 3.144 390 T HA -0.004 4.346 4.350 -0.000 0.000 0.249 390 T C 0.484 175.274 174.700 0.150 0.000 1.089 390 T CA -0.202 62.039 62.100 0.235 0.000 0.989 390 T CB -0.362 68.693 68.868 0.311 0.000 0.992 390 T HN 0.005 nan 8.240 nan 0.000 0.540 391 N N 2.184 120.859 118.700 -0.041 0.000 2.501 391 N HA 0.310 5.050 4.740 -0.000 0.000 0.245 391 N C -2.112 173.171 175.510 -0.378 0.000 0.974 391 N CA -2.578 50.132 53.050 -0.566 0.000 0.941 391 N CB 2.171 40.299 38.487 -0.600 0.000 1.122 391 N HN -0.074 nan 8.380 nan 0.000 0.507 392 P HA -0.097 nan 4.420 nan 0.000 0.216 392 P C 0.394 177.574 177.300 -0.200 0.000 1.150 392 P CA 1.180 64.179 63.100 -0.168 0.000 0.837 392 P CB 0.492 32.142 31.700 -0.084 0.000 0.786 393 D N -0.558 119.662 120.400 -0.301 0.000 2.219 393 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 393 D C 1.995 177.883 176.300 -0.688 0.000 0.970 393 D CA 1.250 55.042 54.000 -0.346 0.000 0.851 393 D CB -0.522 40.153 40.800 -0.208 0.000 0.943 393 D HN 0.113 nan 8.370 nan 0.000 0.488 394 A N 0.537 122.874 122.820 -0.806 0.000 1.898 394 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 394 A C 2.525 180.115 177.584 0.010 0.000 1.181 394 A CA 1.077 52.778 52.037 -0.559 0.000 0.620 394 A CB -0.885 17.961 19.000 -0.258 0.000 0.819 394 A HN 0.328 nan 8.150 nan 0.000 0.442 395 C N -0.448 118.868 119.300 0.027 0.000 2.413 395 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 395 C C 2.717 177.734 174.990 0.045 0.000 1.236 395 C CA 1.478 60.529 59.018 0.054 0.000 1.735 395 C CB -1.097 26.608 27.740 -0.060 0.000 2.031 395 C HN 0.782 nan 8.230 nan 0.000 0.474 396 K N -0.399 120.000 120.400 -0.002 0.000 2.063 396 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 396 K C 1.981 178.633 176.600 0.088 0.000 1.048 396 K CA 1.907 58.203 56.287 0.015 0.000 0.928 396 K CB -0.464 32.038 32.500 0.004 0.000 0.713 396 K HN 0.680 nan 8.250 nan 0.000 0.442 397 W N 0.160 121.435 121.300 -0.042 0.000 2.363 397 W HA -0.228 4.432 4.660 -0.000 0.000 0.296 397 W C 1.834 178.379 176.519 0.043 0.000 1.212 397 W CA 1.585 58.964 57.345 0.057 0.000 1.260 397 W CB -0.235 29.334 29.460 0.182 0.000 1.131 397 W HN 0.209 nan 8.180 nan 0.000 0.530 398 Y N 0.660 121.119 120.300 0.266 0.000 2.184 398 Y HA -0.108 4.442 4.550 -0.000 0.000 0.290 398 Y C 2.459 178.171 175.900 -0.312 0.000 1.129 398 Y CA 2.513 60.623 58.100 0.016 0.000 1.144 398 Y CB -0.923 37.632 38.460 0.158 0.000 0.995 398 Y HN -0.028 nan 8.280 nan 0.000 0.513 399 A N 0.478 123.300 122.820 0.003 0.000 1.903 399 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 399 A C 1.867 179.293 177.584 -0.263 0.000 1.191 399 A CA 2.343 54.293 52.037 -0.145 0.000 0.638 399 A CB -1.017 17.923 19.000 -0.100 0.000 0.823 399 A HN 0.564 nan 8.150 nan 0.000 0.451 400 D N -0.251 119.992 120.400 -0.263 0.000 2.149 400 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 400 D C 1.880 177.908 176.300 -0.453 0.000 0.990 400 D CA 1.173 54.990 54.000 -0.305 0.000 0.839 400 D CB -0.202 40.437 40.800 -0.268 0.000 0.948 400 D HN 0.302 nan 8.370 nan 0.000 0.460 401 K N 0.399 120.361 120.400 -0.730 0.000 2.097 401 K HA -0.024 4.296 4.320 -0.000 0.000 0.206 401 K C 2.353 178.481 176.600 -0.786 0.000 1.049 401 K CA 0.281 56.013 56.287 -0.925 0.000 0.933 401 K CB -0.439 31.042 32.500 -1.698 0.000 0.717 401 K HN 0.277 nan 8.250 nan 0.000 0.442 402 L N 0.940 121.699 121.223 -0.773 0.000 2.027 402 L HA -0.171 4.169 4.340 -0.000 0.000 0.206 402 L C 2.374 179.149 176.870 -0.158 0.000 1.074 402 L CA 1.344 55.860 54.840 -0.540 0.000 0.745 402 L CB -0.385 41.296 42.059 -0.629 0.000 0.898 402 L HN 0.155 nan 8.230 nan 0.000 0.433 403 K N 0.107 120.402 120.400 -0.176 0.000 2.074 403 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 403 K C 2.107 178.665 176.600 -0.071 0.000 1.048 403 K CA 1.404 57.638 56.287 -0.088 0.000 0.926 403 K CB -0.599 31.837 32.500 -0.107 0.000 0.713 403 K HN 0.414 nan 8.250 nan 0.000 0.444 404 G N 1.514 110.244 108.800 -0.117 0.000 2.442 404 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 404 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 404 G C 1.486 176.387 174.900 0.002 0.000 1.141 404 G CA 0.679 45.738 45.100 -0.067 0.000 0.763 404 G HN 0.104 nan 8.290 nan 0.000 0.554 405 L N 0.090 121.335 121.223 0.036 0.000 2.072 405 L HA -0.037 4.303 4.340 -0.000 0.000 0.205 405 L C 2.970 179.880 176.870 0.066 0.000 1.079 405 L CA 0.258 55.171 54.840 0.122 0.000 0.752 405 L CB -0.443 41.763 42.059 0.243 0.000 0.906 405 L HN 0.069 nan 8.230 nan 0.000 0.436 406 V N 0.340 120.304 119.914 0.084 0.000 2.392 406 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 406 V C 2.751 178.817 176.094 -0.047 0.000 1.059 406 V CA 1.821 64.117 62.300 -0.008 0.000 1.051 406 V CB -0.918 30.915 31.823 0.017 0.000 0.658 406 V HN 0.502 nan 8.190 nan 0.000 0.455 407 A N 0.371 123.171 122.820 -0.034 0.000 2.076 407 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 407 A C 2.105 179.655 177.584 -0.058 0.000 1.160 407 A CA 2.133 54.142 52.037 -0.046 0.000 0.653 407 A CB -0.468 18.508 19.000 -0.040 0.000 0.801 407 A HN 0.729 nan 8.150 nan 0.000 0.455 408 M N -3.826 115.739 119.600 -0.059 0.000 2.404 408 M HA 0.494 4.974 4.480 -0.000 0.000 0.271 408 M C 0.826 177.053 176.300 -0.122 0.000 1.128 408 M CA 0.891 56.137 55.300 -0.090 0.000 0.982 408 M CB 0.765 33.312 32.600 -0.089 0.000 1.445 408 M HN 0.528 nan 8.290 nan 0.000 0.495 409 G N 0.768 109.497 108.800 -0.117 0.000 2.229 409 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.189 409 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.189 409 G C -0.208 174.588 174.900 -0.173 0.000 1.000 409 G CA -0.171 44.842 45.100 -0.145 0.000 0.663 409 G HN 0.316 nan 8.290 nan 0.000 0.493 410 V N 1.720 121.528 119.914 -0.177 0.000 2.715 410 V HA 0.309 4.429 4.120 -0.000 0.000 0.299 410 V C 0.902 176.807 176.094 -0.314 0.000 1.054 410 V CA 0.782 62.927 62.300 -0.258 0.000 1.077 410 V CB 1.478 33.121 31.823 -0.300 0.000 0.972 410 V HN 0.287 nan 8.190 nan 0.000 0.484 411 D N 1.426 121.624 120.400 -0.336 0.000 2.423 411 D HA 0.200 4.840 4.640 -0.000 0.000 0.208 411 D C 0.250 176.412 176.300 -0.228 0.000 1.068 411 D CA 0.663 54.508 54.000 -0.260 0.000 0.860 411 D CB 0.847 41.469 40.800 -0.296 0.000 0.992 411 D HN 0.770 nan 8.370 nan 0.000 0.504 412 C N -1.504 117.538 119.300 -0.431 0.000 3.275 412 C HA 0.700 5.160 4.460 -0.000 0.000 0.340 412 C C -1.606 173.048 174.990 -0.559 0.000 1.366 412 C CA -1.432 57.373 59.018 -0.355 0.000 1.227 412 C CB 0.587 28.398 27.740 0.118 0.000 1.512 412 C HN -0.032 nan 8.230 nan 0.000 0.461 413 F N 0.820 120.847 119.950 0.128 0.000 2.551 413 F HA 0.642 5.169 4.527 -0.000 0.000 0.316 413 F C 0.135 175.999 175.800 0.106 0.000 1.089 413 F CA -0.616 57.448 58.000 0.106 0.000 0.915 413 F CB 1.812 40.847 39.000 0.059 0.000 1.186 413 F HN 0.778 nan 8.300 nan 0.000 0.456 414 K N 2.090 122.668 120.400 0.297 0.000 2.266 414 K HA 0.264 4.584 4.320 -0.000 0.000 0.274 414 K C -0.578 176.064 176.600 0.069 0.000 1.090 414 K CA -0.366 55.985 56.287 0.108 0.000 0.925 414 K CB 0.582 33.035 32.500 -0.078 0.000 1.225 414 K HN 0.726 nan 8.250 nan 0.000 0.458 415 T N 1.174 115.776 114.554 0.080 0.000 2.997 415 T HA 0.113 4.463 4.350 -0.000 0.000 0.311 415 T C -0.065 174.715 174.700 0.135 0.000 1.079 415 T CA -0.888 61.219 62.100 0.012 0.000 0.982 415 T CB 0.445 69.102 68.868 -0.352 0.000 1.032 415 T HN 0.428 nan 8.240 nan 0.000 0.581 416 D N 1.635 122.085 120.400 0.082 0.000 2.348 416 D HA 0.510 5.150 4.640 -0.000 0.000 0.249 416 D C 0.582 177.019 176.300 0.227 0.000 1.110 416 D CA -0.726 53.367 54.000 0.154 0.000 0.967 416 D CB 0.239 41.164 40.800 0.207 0.000 1.139 416 D HN 0.467 nan 8.370 nan 0.000 0.466 417 F N -0.324 119.615 119.950 -0.019 0.000 2.181 417 F HA -0.156 4.371 4.527 -0.000 0.000 0.317 417 F C 1.760 177.600 175.800 0.066 0.000 0.129 417 F CA 1.323 59.307 58.000 -0.027 0.000 0.911 417 F CB -1.376 37.514 39.000 -0.184 0.000 4.128 417 F HN 0.586 nan 8.300 nan 0.000 0.142 418 G N -1.060 107.899 108.800 0.266 0.000 2.179 418 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.220 418 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.220 418 G C 0.675 175.723 174.900 0.247 0.000 0.990 418 G CA 0.693 45.959 45.100 0.277 0.000 0.646 418 G HN 1.042 nan 8.290 nan 0.000 0.517 419 E N 0.775 121.128 120.200 0.255 0.000 2.140 419 E HA 0.063 4.413 4.350 -0.000 0.000 0.191 419 E C 1.403 178.006 176.600 0.005 0.000 0.973 419 E CA 0.221 56.690 56.400 0.115 0.000 0.829 419 E CB -0.279 29.531 29.700 0.184 0.000 0.781 419 E HN 0.487 nan 8.360 nan 0.000 0.466 420 R N 1.482 122.100 120.500 0.196 0.000 3.266 420 R HA 0.261 4.601 4.340 -0.000 0.000 0.224 420 R C -0.437 175.801 176.300 -0.102 0.000 1.525 420 R CA -0.167 56.051 56.100 0.196 0.000 1.364 420 R CB 0.081 30.644 30.300 0.439 0.000 1.276 420 R HN 0.091 nan 8.270 nan 0.000 0.660 421 I N 4.381 124.811 120.570 -0.234 0.000 2.330 421 I HA 0.300 4.469 4.170 -0.000 0.000 0.289 421 I C -1.859 174.186 176.117 -0.118 0.000 1.001 421 I CA -3.120 57.962 61.300 -0.364 0.000 1.193 421 I CB 1.172 38.905 38.000 -0.445 0.000 1.345 421 I HN 0.157 nan 8.210 nan 0.000 0.461 422 P HA 0.249 nan 4.420 nan 0.000 0.276 422 P C 0.416 177.665 177.300 -0.084 0.000 1.252 422 P CA -0.102 62.802 63.100 -0.327 0.000 0.802 422 P CB 1.079 32.217 31.700 -0.936 0.000 1.035 423 T N -4.443 110.157 114.554 0.077 0.000 3.023 423 T HA 0.042 4.392 4.350 -0.000 0.000 0.253 423 T C 0.414 175.165 174.700 0.084 0.000 1.038 423 T CA -0.096 62.099 62.100 0.158 0.000 0.962 423 T CB -0.550 68.466 68.868 0.247 0.000 1.018 423 T HN 0.385 nan 8.240 nan 0.000 0.521 424 D N 1.725 122.152 120.400 0.046 0.000 2.741 424 D HA 0.459 5.099 4.640 -0.000 0.000 0.233 424 D C -0.275 176.041 176.300 0.027 0.000 1.160 424 D CA -0.523 53.520 54.000 0.073 0.000 1.003 424 D CB 0.466 41.343 40.800 0.128 0.000 1.064 424 D HN 0.241 nan 8.370 nan 0.000 0.503 425 V N -0.036 119.850 119.914 -0.047 0.000 3.216 425 V HA 0.365 4.485 4.120 -0.000 0.000 0.302 425 V C -1.737 174.259 176.094 -0.164 0.000 1.286 425 V CA -0.870 61.323 62.300 -0.179 0.000 1.048 425 V CB 2.757 34.309 31.823 -0.452 0.000 1.081 425 V HN 0.380 nan 8.190 nan 0.000 0.442 426 Q N 2.064 121.737 119.800 -0.212 0.000 2.347 426 Q HA 0.360 4.700 4.340 -0.000 0.000 0.265 426 Q C -1.704 174.218 176.000 -0.131 0.000 1.024 426 Q CA -0.495 55.253 55.803 -0.092 0.000 0.731 426 Q CB 1.156 29.880 28.738 -0.023 0.000 1.245 426 Q HN 0.691 nan 8.270 nan 0.000 0.472 427 W N 3.065 124.403 121.300 0.063 0.000 2.158 427 W HA 0.049 4.709 4.660 -0.000 0.000 0.339 427 W C 1.164 177.776 176.519 0.154 0.000 1.294 427 W CA -0.331 57.081 57.345 0.112 0.000 1.231 427 W CB 0.328 29.859 29.460 0.119 0.000 1.143 427 W HN 0.730 nan 8.180 nan 0.000 0.571 428 F N 2.676 122.795 119.950 0.282 0.000 2.115 428 F HA -0.366 4.161 4.527 -0.000 0.000 0.300 428 F C 2.195 178.102 175.800 0.178 0.000 1.092 428 F CA 2.375 60.487 58.000 0.187 0.000 1.245 428 F CB -0.050 39.056 39.000 0.177 0.000 0.995 428 F HN 0.397 nan 8.300 nan 0.000 0.481 429 D N -0.647 120.012 120.400 0.432 0.000 2.328 429 D HA 0.087 4.727 4.640 -0.000 0.000 0.226 429 D C 1.667 178.055 176.300 0.147 0.000 1.066 429 D CA 0.761 54.911 54.000 0.250 0.000 0.861 429 D CB -0.743 40.225 40.800 0.280 0.000 0.912 429 D HN 0.440 nan 8.370 nan 0.000 0.521 430 G N 0.133 109.037 108.800 0.172 0.000 2.203 430 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.263 430 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.263 430 G C 0.323 175.314 174.900 0.150 0.000 1.012 430 G CA 0.434 45.620 45.100 0.143 0.000 0.749 430 G HN 0.441 nan 8.290 nan 0.000 0.512 431 S N 0.102 115.902 115.700 0.167 0.000 2.566 431 S HA 0.254 4.724 4.470 -0.000 0.000 0.280 431 S C 0.534 175.208 174.600 0.123 0.000 1.343 431 S CA 0.033 58.270 58.200 0.060 0.000 1.036 431 S CB 0.939 64.077 63.200 -0.104 0.000 0.866 431 S HN 0.450 nan 8.310 nan 0.000 0.526 432 D N 2.142 122.577 120.400 0.059 0.000 2.426 432 D HA 0.077 4.717 4.640 -0.000 0.000 0.261 432 D C -1.572 174.821 176.300 0.155 0.000 1.245 432 D CA -1.749 52.313 54.000 0.103 0.000 0.917 432 D CB 0.751 41.589 40.800 0.062 0.000 1.123 432 D HN 0.089 nan 8.370 nan 0.000 0.508 433 P HA -0.171 nan 4.420 nan 0.000 0.217 433 P C 1.248 178.746 177.300 0.331 0.000 1.148 433 P CA 1.029 64.370 63.100 0.403 0.000 0.828 433 P CB 0.269 32.179 31.700 0.350 0.000 0.783 434 Q N -0.300 119.664 119.800 0.273 0.000 2.167 434 Q HA -0.123 4.216 4.340 -0.000 0.000 0.202 434 Q C 1.895 178.098 176.000 0.339 0.000 0.970 434 Q CA 1.437 57.446 55.803 0.342 0.000 0.855 434 Q CB -0.409 28.470 28.738 0.236 0.000 0.911 434 Q HN 0.415 nan 8.270 nan 0.000 0.438 435 K N -0.445 120.065 120.400 0.184 0.000 2.137 435 K HA 0.101 4.421 4.320 -0.000 0.000 0.202 435 K C 2.035 178.673 176.600 0.063 0.000 1.052 435 K CA 0.287 56.630 56.287 0.093 0.000 0.961 435 K CB 0.088 32.567 32.500 -0.036 0.000 0.741 435 K HN 0.064 nan 8.250 nan 0.000 0.452 436 M N 0.380 119.979 119.600 -0.002 0.000 2.267 436 M HA -0.165 4.315 4.480 -0.000 0.000 0.263 436 M C 1.966 178.275 176.300 0.015 0.000 1.063 436 M CA 1.615 56.837 55.300 -0.131 0.000 1.090 436 M CB -0.916 31.310 32.600 -0.624 0.000 1.392 436 M HN 0.262 nan 8.290 nan 0.000 0.422 437 H N 1.051 120.112 119.070 -0.016 0.000 2.290 437 H HA -0.126 4.430 4.556 -0.000 0.000 0.298 437 H C 1.784 177.002 175.328 -0.184 0.000 1.087 437 H CA 2.403 58.334 56.048 -0.196 0.000 1.291 437 H CB 0.142 29.509 29.762 -0.659 0.000 1.369 437 H HN 0.314 nan 8.280 nan 0.000 0.492 438 N N -0.739 117.939 118.700 -0.037 0.000 2.207 438 N HA -0.132 4.608 4.740 -0.000 0.000 0.182 438 N C 1.840 177.458 175.510 0.180 0.000 1.020 438 N CA 1.257 54.346 53.050 0.064 0.000 0.858 438 N CB -0.594 38.028 38.487 0.225 0.000 0.991 438 N HN 0.508 nan 8.380 nan 0.000 0.427 439 H N -0.189 118.946 119.070 0.108 0.000 2.491 439 H HA -0.061 4.495 4.556 -0.000 0.000 0.290 439 H C 1.778 177.202 175.328 0.161 0.000 1.050 439 H CA 1.006 57.140 56.048 0.144 0.000 1.309 439 H CB -0.314 29.477 29.762 0.047 0.000 1.392 439 H HN 0.260 nan 8.280 nan 0.000 0.554 440 Y N 0.207 120.486 120.300 -0.035 0.000 2.181 440 Y HA -0.327 4.223 4.550 -0.000 0.000 0.284 440 Y C 2.485 178.421 175.900 0.061 0.000 1.179 440 Y CA 1.879 59.951 58.100 -0.046 0.000 1.179 440 Y CB -0.496 37.934 38.460 -0.050 0.000 0.973 440 Y HN 0.334 nan 8.280 nan 0.000 0.519 441 A N -0.868 122.095 122.820 0.240 0.000 1.929 441 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 441 A C 2.015 179.664 177.584 0.108 0.000 1.176 441 A CA 1.333 53.524 52.037 0.256 0.000 0.628 441 A CB -1.427 17.716 19.000 0.238 0.000 0.816 441 A HN 0.694 nan 8.150 nan 0.000 0.444 442 Y N 0.923 121.191 120.300 -0.053 0.000 2.030 442 Y HA -0.289 4.261 4.550 -0.000 0.000 0.274 442 Y C 2.103 177.865 175.900 -0.231 0.000 1.153 442 Y CA 2.139 60.172 58.100 -0.112 0.000 1.115 442 Y CB -0.247 38.059 38.460 -0.257 0.000 0.969 442 Y HN 0.248 nan 8.280 nan 0.000 0.488 443 I N -0.120 120.249 120.570 -0.336 0.000 2.208 443 I HA -0.353 3.817 4.170 -0.000 0.000 0.245 443 I C 2.409 178.209 176.117 -0.528 0.000 1.097 443 I CA 1.748 62.805 61.300 -0.405 0.000 1.363 443 I CB -1.834 35.978 38.000 -0.312 0.000 1.051 443 I HN 0.480 nan 8.210 nan 0.000 0.413 444 Y N 2.098 122.019 120.300 -0.631 0.000 2.089 444 Y HA -0.273 4.277 4.550 -0.000 0.000 0.282 444 Y C 2.583 178.151 175.900 -0.553 0.000 1.139 444 Y CA 1.780 59.479 58.100 -0.669 0.000 1.123 444 Y CB -0.153 38.108 38.460 -0.331 0.000 0.980 444 Y HN 0.188 nan 8.280 nan 0.000 0.493 445 N N 0.563 118.887 118.700 -0.627 0.000 2.188 445 N HA -0.221 4.519 4.740 -0.000 0.000 0.184 445 N C 1.820 176.766 175.510 -0.940 0.000 1.018 445 N CA 1.469 54.096 53.050 -0.705 0.000 0.858 445 N CB -0.390 37.872 38.487 -0.374 0.000 0.989 445 N HN 0.591 nan 8.380 nan 0.000 0.426 446 E N 1.450 120.915 120.200 -1.225 0.000 2.097 446 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 446 E C 2.162 178.309 176.600 -0.755 0.000 1.000 446 E CA 0.716 56.249 56.400 -1.444 0.000 0.804 446 E CB -0.089 28.944 29.700 -1.111 0.000 0.740 446 E HN 0.284 nan 8.360 nan 0.000 0.454 447 L N 0.283 121.129 121.223 -0.628 0.000 2.017 447 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 447 L C 2.358 179.016 176.870 -0.354 0.000 1.073 447 L CA 1.122 55.672 54.840 -0.484 0.000 0.745 447 L CB -0.091 41.561 42.059 -0.679 0.000 0.894 447 L HN 0.073 nan 8.230 nan 0.000 0.432 448 V N -0.908 118.790 119.914 -0.360 0.000 2.379 448 V HA -0.297 3.823 4.120 -0.000 0.000 0.245 448 V C 2.106 178.128 176.094 -0.120 0.000 1.044 448 V CA 1.970 64.138 62.300 -0.220 0.000 1.036 448 V CB -0.908 30.786 31.823 -0.215 0.000 0.664 448 V HN 0.702 nan 8.190 nan 0.000 0.453 449 W N 1.611 122.675 121.300 -0.392 0.000 2.318 449 W HA -0.255 4.405 4.660 -0.000 0.000 0.313 449 W C 2.233 178.629 176.519 -0.204 0.000 1.221 449 W CA 2.225 59.383 57.345 -0.312 0.000 1.266 449 W CB -0.402 28.689 29.460 -0.616 0.000 1.150 449 W HN 0.339 nan 8.180 nan 0.000 0.496 450 N N 0.450 119.091 118.700 -0.098 0.000 2.223 450 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 450 N C 1.720 177.139 175.510 -0.152 0.000 1.016 450 N CA 1.621 54.608 53.050 -0.105 0.000 0.863 450 N CB -0.872 37.566 38.487 -0.083 0.000 0.983 450 N HN 0.040 nan 8.380 nan 0.000 0.429 451 V N 0.886 120.709 119.914 -0.151 0.000 2.287 451 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 451 V C 2.205 178.231 176.094 -0.113 0.000 1.053 451 V CA 1.193 63.424 62.300 -0.115 0.000 1.027 451 V CB -0.379 31.383 31.823 -0.102 0.000 0.646 451 V HN 0.180 nan 8.190 nan 0.000 0.447 452 L N -0.315 120.812 121.223 -0.160 0.000 2.027 452 L HA -0.124 4.216 4.340 -0.000 0.000 0.206 452 L C 2.356 179.067 176.870 -0.265 0.000 1.074 452 L CA 1.740 56.461 54.840 -0.199 0.000 0.745 452 L CB -1.150 40.732 42.059 -0.295 0.000 0.898 452 L HN 0.267 nan 8.230 nan 0.000 0.433 453 K N -0.442 119.725 120.400 -0.387 0.000 2.077 453 K HA -0.234 4.086 4.320 -0.000 0.000 0.213 453 K C 1.189 177.706 176.600 -0.139 0.000 1.051 453 K CA 1.905 58.026 56.287 -0.277 0.000 0.929 453 K CB -0.072 32.288 32.500 -0.233 0.000 0.715 453 K HN 0.332 nan 8.250 nan 0.000 0.451 454 D N -1.142 119.188 120.400 -0.117 0.000 2.340 454 D HA -0.022 4.618 4.640 -0.000 0.000 0.220 454 D C 1.321 177.581 176.300 -0.067 0.000 1.039 454 D CA 0.783 54.738 54.000 -0.074 0.000 0.866 454 D CB 0.612 41.373 40.800 -0.066 0.000 0.913 454 D HN 0.449 nan 8.370 nan 0.000 0.523 455 T N -2.761 111.747 114.554 -0.078 0.000 3.463 455 T HA -0.005 4.345 4.350 -0.000 0.000 0.203 455 T C 2.013 176.674 174.700 -0.064 0.000 0.955 455 T CA 0.664 62.726 62.100 -0.064 0.000 1.230 455 T CB -0.691 68.144 68.868 -0.055 0.000 1.392 455 T HN -0.105 nan 8.240 nan 0.000 0.361 456 V N 0.425 120.294 119.914 -0.074 0.000 2.720 456 V HA 0.470 4.590 4.120 -0.000 0.000 0.256 456 V C 1.369 177.433 176.094 -0.050 0.000 1.082 456 V CA 0.614 62.878 62.300 -0.060 0.000 1.101 456 V CB -1.824 29.968 31.823 -0.052 0.000 0.693 456 V HN 1.502 nan 8.190 nan 0.000 0.479 457 G N -0.193 108.562 108.800 -0.076 0.000 2.674 457 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.686 457 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 457 G C 0.056 174.896 174.900 -0.100 0.000 1.195 457 G CA 0.131 45.194 45.100 -0.062 0.000 0.776 457 G HN 0.420 nan 8.290 nan 0.000 0.654 458 E N 0.204 120.357 120.200 -0.078 0.000 2.160 458 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 458 E C 2.045 178.623 176.600 -0.035 0.000 0.991 458 E CA 2.038 58.390 56.400 -0.079 0.000 0.810 458 E CB 0.038 29.756 29.700 0.029 0.000 0.742 458 E HN 0.720 nan 8.360 nan 0.000 0.466 459 E N 0.341 120.546 120.200 0.009 0.000 2.204 459 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 459 E C 1.586 178.210 176.600 0.041 0.000 0.989 459 E CA 0.890 57.321 56.400 0.051 0.000 0.824 459 E CB 0.061 29.799 29.700 0.063 0.000 0.756 459 E HN 0.197 nan 8.360 nan 0.000 0.477 460 E N 0.387 120.595 120.200 0.014 0.000 2.476 460 E HA 0.211 4.561 4.350 -0.000 0.000 0.199 460 E C 0.084 176.676 176.600 -0.013 0.000 1.021 460 E CA 0.155 56.605 56.400 0.083 0.000 0.907 460 E CB 0.556 30.340 29.700 0.139 0.000 0.974 460 E HN 0.213 nan 8.360 nan 0.000 0.489 461 A N 1.679 124.370 122.820 -0.216 0.000 2.491 461 A HA 0.326 4.646 4.320 -0.000 0.000 0.261 461 A C 0.039 177.431 177.584 -0.320 0.000 1.101 461 A CA 0.056 51.799 52.037 -0.490 0.000 0.772 461 A CB 0.386 18.654 19.000 -1.220 0.000 1.043 461 A HN 0.024 nan 8.150 nan 0.000 0.501 462 V N 4.261 124.104 119.914 -0.119 0.000 3.087 462 V HA 0.738 4.858 4.120 -0.000 0.000 0.306 462 V C -1.069 175.131 176.094 0.178 0.000 1.187 462 V CA -0.673 61.677 62.300 0.083 0.000 0.999 462 V CB 2.075 33.866 31.823 -0.053 0.000 1.049 462 V HN 0.863 nan 8.190 nan 0.000 0.431 463 L N 3.586 124.927 121.223 0.197 0.000 2.303 463 L HA 0.650 4.990 4.340 -0.000 0.000 0.256 463 L C -1.581 175.348 176.870 0.098 0.000 1.034 463 L CA -0.605 54.340 54.840 0.175 0.000 0.832 463 L CB 2.404 44.541 42.059 0.131 0.000 1.403 463 L HN 0.579 nan 8.230 nan 0.000 0.419 464 F N 1.240 121.111 119.950 -0.132 0.000 2.366 464 F HA 0.635 5.162 4.527 -0.000 0.000 0.366 464 F C 0.162 175.980 175.800 0.029 0.000 1.096 464 F CA -0.520 57.351 58.000 -0.215 0.000 1.060 464 F CB 1.454 40.158 39.000 -0.493 0.000 1.282 464 F HN 0.372 nan 8.300 nan 0.000 0.450 465 A N 4.801 127.614 122.820 -0.011 0.000 2.318 465 A HA 0.570 4.890 4.320 -0.000 0.000 0.324 465 A C 0.935 178.424 177.584 -0.158 0.000 1.170 465 A CA -0.606 51.380 52.037 -0.085 0.000 0.810 465 A CB 1.115 19.871 19.000 -0.407 0.000 1.198 465 A HN 0.876 nan 8.150 nan 0.000 0.484 466 R N 0.978 121.312 120.500 -0.276 0.000 2.112 466 R HA 0.060 4.400 4.340 -0.000 0.000 0.216 466 R C 0.617 176.671 176.300 -0.410 0.000 1.080 466 R CA 1.378 56.988 56.100 -0.818 0.000 0.996 466 R CB 0.087 29.765 30.300 -1.037 0.000 0.902 466 R HN 0.830 nan 8.270 nan 0.000 0.449 467 S N -1.003 114.634 115.700 -0.105 0.000 2.704 467 S HA 0.870 5.340 4.470 -0.000 0.000 0.305 467 S C -0.672 174.004 174.600 0.127 0.000 1.107 467 S CA -0.576 57.650 58.200 0.045 0.000 0.993 467 S CB 2.331 65.608 63.200 0.128 0.000 1.110 467 S HN 0.252 nan 8.310 nan 0.000 0.534 468 A N 0.063 122.958 122.820 0.125 0.000 2.586 468 A HA 0.885 5.205 4.320 -0.000 0.000 0.290 468 A C -0.631 177.062 177.584 0.183 0.000 1.086 468 A CA -0.541 51.607 52.037 0.185 0.000 0.665 468 A CB 1.080 20.119 19.000 0.066 0.000 1.279 468 A HN 1.300 nan 8.150 nan 0.000 0.423 469 S N -1.106 114.746 115.700 0.253 0.000 2.625 469 S HA 0.590 5.060 4.470 -0.000 0.000 0.271 469 S C -0.928 173.761 174.600 0.149 0.000 1.161 469 S CA -0.231 58.108 58.200 0.231 0.000 0.820 469 S CB 1.354 64.729 63.200 0.291 0.000 1.137 469 S HN 1.551 nan 8.310 nan 0.000 0.470 470 V N 2.856 122.722 119.914 -0.080 0.000 2.644 470 V HA 0.369 4.489 4.120 -0.000 0.000 0.305 470 V C 1.791 177.683 176.094 -0.336 0.000 1.053 470 V CA 2.009 64.088 62.300 -0.368 0.000 1.186 470 V CB -0.049 31.117 31.823 -1.094 0.000 0.895 470 V HN 1.554 nan 8.190 nan 0.000 0.490 471 G N 4.066 112.650 108.800 -0.359 0.000 2.234 471 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.235 471 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.235 471 G C 0.898 175.656 174.900 -0.237 0.000 0.997 471 G CA 0.255 45.150 45.100 -0.342 0.000 0.623 471 G HN 1.398 nan 8.290 nan 0.000 0.514 472 A N 0.957 123.743 122.820 -0.057 0.000 2.208 472 A HA 0.260 4.580 4.320 -0.000 0.000 0.209 472 A C 2.187 179.636 177.584 -0.225 0.000 1.161 472 A CA 1.878 53.939 52.037 0.039 0.000 0.782 472 A CB -0.321 18.913 19.000 0.390 0.000 0.816 472 A HN 0.875 nan 8.150 nan 0.000 0.477 473 Q N 0.912 120.254 119.800 -0.765 0.000 2.364 473 Q HA -0.174 4.166 4.340 -0.000 0.000 0.209 473 Q C 1.075 176.696 176.000 -0.631 0.000 0.977 473 Q CA 1.625 56.837 55.803 -0.985 0.000 0.885 473 Q CB -0.509 27.320 28.738 -1.515 0.000 0.941 473 Q HN 0.653 nan 8.270 nan 0.000 0.464 474 K N 0.131 119.997 120.400 -0.891 0.000 2.283 474 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 474 K C -0.146 175.680 176.600 -1.291 0.000 1.048 474 K CA 0.610 56.255 56.287 -1.070 0.000 0.948 474 K CB 0.051 31.751 32.500 -1.332 0.000 0.742 474 K HN 0.179 nan 8.250 nan 0.000 0.458 475 F N 1.969 121.523 119.950 -0.659 0.000 2.434 475 F HA 0.275 4.802 4.527 -0.000 0.000 0.316 475 F C -2.196 173.373 175.800 -0.385 0.000 1.222 475 F CA -3.690 53.728 58.000 -0.971 0.000 1.207 475 F CB -0.199 38.409 39.000 -0.653 0.000 1.466 475 F HN -0.151 nan 8.300 nan 0.000 0.545 476 P HA 0.081 nan 4.420 nan 0.000 0.271 476 P C 0.243 177.473 177.300 -0.117 0.000 1.244 476 P CA 0.208 63.308 63.100 0.001 0.000 0.793 476 P CB 1.706 33.383 31.700 -0.037 0.000 0.984 477 V N 0.048 119.843 119.914 -0.199 0.000 3.497 477 V HA -0.201 3.919 4.120 -0.000 0.000 0.484 477 V C -1.686 174.068 176.094 -0.566 0.000 0.682 477 V CA 0.607 62.639 62.300 -0.447 0.000 2.014 477 V CB -2.132 29.124 31.823 -0.945 0.000 2.451 477 V HN 0.744 nan 8.190 nan 0.000 0.502 478 H N 6.210 125.124 119.070 -0.261 0.000 2.469 478 H HA 0.755 5.311 4.556 -0.000 0.000 0.342 478 H C -0.061 175.042 175.328 -0.374 0.000 1.115 478 H CA 0.541 56.461 56.048 -0.213 0.000 1.204 478 H CB 1.341 31.066 29.762 -0.061 0.000 1.492 478 H HN 1.056 nan 8.280 nan 0.000 0.499 479 W N 2.419 123.403 121.300 -0.526 0.000 2.689 479 W HA 0.528 5.188 4.660 -0.000 0.000 0.340 479 W C 0.493 176.856 176.519 -0.260 0.000 1.060 479 W CA -1.303 55.676 57.345 -0.610 0.000 1.218 479 W CB 1.063 30.173 29.460 -0.583 0.000 1.410 479 W HN 0.655 nan 8.180 nan 0.000 0.528 480 G N 2.143 110.756 108.800 -0.311 0.000 2.807 480 G HA2 0.306 4.266 3.960 -0.000 0.000 0.207 480 G HA3 0.306 4.266 3.960 -0.000 0.000 0.207 480 G C 0.810 175.617 174.900 -0.155 0.000 1.151 480 G CA 0.598 45.780 45.100 0.137 0.000 0.800 480 G HN 1.608 nan 8.290 nan 0.000 0.523 481 G N 0.287 108.524 108.800 -0.939 0.000 2.525 481 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 481 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 481 G C -0.666 174.137 174.900 -0.162 0.000 1.238 481 G CA -0.048 44.583 45.100 -0.783 0.000 0.926 481 G HN 0.237 nan 8.290 nan 0.000 0.574 482 D N 1.630 121.947 120.400 -0.137 0.000 2.494 482 D HA 0.465 5.105 4.640 -0.000 0.000 0.217 482 D C 1.110 177.475 176.300 0.108 0.000 1.153 482 D CA 0.454 54.354 54.000 -0.166 0.000 0.954 482 D CB -0.495 40.199 40.800 -0.176 0.000 1.034 482 D HN 0.857 nan 8.370 nan 0.000 0.518 483 C N 0.483 119.904 119.300 0.202 0.000 2.328 483 C HA 0.654 5.114 4.460 -0.000 0.000 0.378 483 C C 0.290 175.426 174.990 0.244 0.000 1.249 483 C CA -0.966 58.227 59.018 0.292 0.000 2.204 483 C CB 0.022 28.028 27.740 0.444 0.000 2.218 483 C HN 0.389 nan 8.230 nan 0.000 0.564 484 Y N -0.610 119.886 120.300 0.326 0.000 2.534 484 Y HA 0.534 5.084 4.550 -0.000 0.000 0.329 484 Y C 0.817 176.915 175.900 0.330 0.000 1.154 484 Y CA -0.261 58.000 58.100 0.269 0.000 1.192 484 Y CB 1.413 40.000 38.460 0.212 0.000 1.275 484 Y HN 0.911 nan 8.280 nan 0.000 0.491 485 A N 2.780 125.818 122.820 0.364 0.000 3.126 485 A HA 0.363 4.683 4.320 -0.000 0.000 0.268 485 A C -0.856 176.913 177.584 0.309 0.000 1.605 485 A CA -0.257 51.953 52.037 0.289 0.000 1.305 485 A CB -1.635 17.434 19.000 0.115 0.000 1.160 485 A HN 0.778 nan 8.150 nan 0.000 0.609 486 N N -2.604 116.349 118.700 0.422 0.000 2.732 486 N HA 0.403 5.143 4.740 -0.000 0.000 0.259 486 N C -0.074 175.588 175.510 0.254 0.000 1.402 486 N CA -0.813 52.371 53.050 0.222 0.000 0.829 486 N CB 0.314 38.926 38.487 0.208 0.000 1.495 486 N HN -0.082 nan 8.380 nan 0.000 0.511 487 Y N -0.305 120.171 120.300 0.293 0.000 2.224 487 Y HA -0.026 4.524 4.550 -0.000 0.000 0.289 487 Y C 1.604 177.621 175.900 0.196 0.000 1.146 487 Y CA 1.324 59.588 58.100 0.274 0.000 1.182 487 Y CB -0.311 38.334 38.460 0.308 0.000 0.983 487 Y HN 0.658 nan 8.280 nan 0.000 0.524 488 E N -0.909 119.470 120.200 0.298 0.000 2.152 488 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 488 E C 2.429 179.125 176.600 0.160 0.000 0.983 488 E CA 1.222 57.721 56.400 0.163 0.000 0.818 488 E CB -0.345 29.431 29.700 0.127 0.000 0.758 488 E HN 0.174 nan 8.360 nan 0.000 0.467 489 S N -0.367 115.476 115.700 0.238 0.000 2.414 489 S HA -0.044 4.426 4.470 -0.000 0.000 0.227 489 S C 1.863 176.624 174.600 0.268 0.000 1.022 489 S CA 0.777 59.156 58.200 0.299 0.000 0.958 489 S CB -0.125 63.340 63.200 0.442 0.000 0.797 489 S HN 0.276 nan 8.310 nan 0.000 0.493 490 M N 1.086 120.719 119.600 0.054 0.000 2.108 490 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 490 M C 2.084 178.436 176.300 0.086 0.000 1.066 490 M CA 1.806 56.868 55.300 -0.396 0.000 1.107 490 M CB -0.453 31.747 32.600 -0.665 0.000 1.356 490 M HN 0.437 nan 8.290 nan 0.000 0.406 491 A N 0.864 123.767 122.820 0.140 0.000 1.877 491 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 491 A C 1.951 179.549 177.584 0.023 0.000 1.186 491 A CA 1.908 53.883 52.037 -0.103 0.000 0.620 491 A CB -1.069 17.659 19.000 -0.453 0.000 0.822 491 A HN 0.790 nan 8.150 nan 0.000 0.443 492 E N -0.165 120.103 120.200 0.114 0.000 2.153 492 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 492 E C 1.887 178.705 176.600 0.363 0.000 0.988 492 E CA 1.528 58.051 56.400 0.205 0.000 0.811 492 E CB -0.391 29.439 29.700 0.217 0.000 0.746 492 E HN 0.438 nan 8.360 nan 0.000 0.466 493 S N 1.043 116.979 115.700 0.393 0.000 2.355 493 S HA -0.115 4.355 4.470 -0.000 0.000 0.222 493 S C 1.831 176.703 174.600 0.453 0.000 1.031 493 S CA 1.033 59.583 58.200 0.584 0.000 0.993 493 S CB -0.362 63.229 63.200 0.651 0.000 0.859 493 S HN 0.259 nan 8.310 nan 0.000 0.453 494 L N 2.451 123.861 121.223 0.311 0.000 2.042 494 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 494 L C 2.165 178.972 176.870 -0.105 0.000 1.076 494 L CA 1.732 56.636 54.840 0.106 0.000 0.749 494 L CB -0.623 41.437 42.059 0.000 0.000 0.893 494 L HN 0.156 nan 8.230 nan 0.000 0.432 495 R N -0.731 119.755 120.500 -0.023 0.000 2.096 495 R HA -0.100 4.239 4.340 -0.000 0.000 0.235 495 R C 2.183 178.358 176.300 -0.208 0.000 1.127 495 R CA 1.166 57.215 56.100 -0.084 0.000 0.968 495 R CB -0.923 29.365 30.300 -0.020 0.000 0.861 495 R HN 0.588 nan 8.270 nan 0.000 0.440 496 G N 0.212 108.899 108.800 -0.189 0.000 2.402 496 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.216 496 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.216 496 G C 1.507 176.010 174.900 -0.663 0.000 1.162 496 G CA 0.711 45.544 45.100 -0.444 0.000 0.777 496 G HN 0.438 nan 8.290 nan 0.000 0.539 497 G N 1.060 109.189 108.800 -1.118 0.000 2.418 497 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.217 497 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.217 497 G C 1.811 176.126 174.900 -0.975 0.000 1.158 497 G CA 0.791 44.646 45.100 -2.074 0.000 0.771 497 G HN 0.414 nan 8.290 nan 0.000 0.545 498 L N 0.633 121.494 121.223 -0.602 0.000 2.012 498 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 498 L C 3.194 179.886 176.870 -0.297 0.000 1.073 498 L CA 1.355 55.985 54.840 -0.350 0.000 0.748 498 L CB -0.529 41.406 42.059 -0.206 0.000 0.891 498 L HN 0.179 nan 8.230 nan 0.000 0.431 499 S N -0.180 115.332 115.700 -0.314 0.000 2.368 499 S HA -0.166 4.304 4.470 -0.000 0.000 0.225 499 S C 1.962 176.413 174.600 -0.249 0.000 1.030 499 S CA 1.245 59.298 58.200 -0.246 0.000 0.999 499 S CB -0.224 62.803 63.200 -0.289 0.000 0.844 499 S HN 0.322 nan 8.310 nan 0.000 0.459 500 I N 1.150 121.507 120.570 -0.355 0.000 2.315 500 I HA -0.115 4.055 4.170 -0.000 0.000 0.248 500 I C 2.328 178.372 176.117 -0.122 0.000 1.117 500 I CA 1.036 62.153 61.300 -0.305 0.000 1.404 500 I CB -0.645 37.095 38.000 -0.433 0.000 1.071 500 I HN 0.389 nan 8.210 nan 0.000 0.419 501 G N 0.932 109.623 108.800 -0.182 0.000 2.442 501 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 501 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 501 G C 1.542 176.388 174.900 -0.090 0.000 1.141 501 G CA 0.517 45.547 45.100 -0.116 0.000 0.763 501 G HN 0.400 nan 8.290 nan 0.000 0.554 502 L N 0.988 122.152 121.223 -0.098 0.000 2.610 502 L HA 0.112 4.452 4.340 -0.000 0.000 0.232 502 L C 1.698 178.591 176.870 0.038 0.000 1.149 502 L CA 0.389 55.198 54.840 -0.052 0.000 0.872 502 L CB 0.384 42.406 42.059 -0.063 0.000 0.992 502 L HN 0.078 nan 8.230 nan 0.000 0.447 503 S N -0.676 115.036 115.700 0.019 0.000 2.602 503 S HA 0.386 4.856 4.470 -0.000 0.000 0.240 503 S C 1.222 175.789 174.600 -0.056 0.000 0.992 503 S CA 0.412 58.631 58.200 0.032 0.000 0.971 503 S CB 0.981 64.224 63.200 0.071 0.000 0.855 503 S HN 0.520 nan 8.310 nan 0.000 0.481 504 G N 1.158 109.906 108.800 -0.086 0.000 2.184 504 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.206 504 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.206 504 G C -0.149 174.560 174.900 -0.318 0.000 0.995 504 G CA -0.701 44.298 45.100 -0.169 0.000 0.651 504 G HN 0.442 nan 8.290 nan 0.000 0.511 505 F N 0.866 120.699 119.950 -0.196 0.000 2.420 505 F HA 0.571 5.098 4.527 -0.000 0.000 0.342 505 F C 1.580 177.258 175.800 -0.204 0.000 1.113 505 F CA 0.211 58.092 58.000 -0.199 0.000 1.059 505 F CB 1.994 40.855 39.000 -0.232 0.000 1.128 505 F HN 0.002 nan 8.300 nan 0.000 0.475 506 G N 2.698 111.410 108.800 -0.147 0.000 2.539 506 G HA2 0.085 4.045 3.960 -0.000 0.000 0.215 506 G HA3 0.085 4.045 3.960 -0.000 0.000 0.215 506 G C -0.245 174.216 174.900 -0.732 0.000 1.141 506 G CA 0.342 45.115 45.100 -0.546 0.000 0.806 506 G HN 0.373 nan 8.290 nan 0.000 0.533 507 F N -1.983 118.055 119.950 0.146 0.000 2.578 507 F HA 0.645 5.172 4.527 -0.000 0.000 0.311 507 F C -1.060 174.869 175.800 0.215 0.000 1.094 507 F CA -1.489 56.609 58.000 0.162 0.000 0.923 507 F CB 2.039 41.051 39.000 0.020 0.000 1.230 507 F HN 0.044 nan 8.300 nan 0.000 0.450 508 W N 2.343 123.729 121.300 0.144 0.000 3.624 508 W HA 0.642 5.302 4.660 -0.000 0.000 0.312 508 W C -1.463 175.075 176.519 0.032 0.000 1.203 508 W CA -0.540 56.826 57.345 0.036 0.000 1.225 508 W CB 1.926 31.403 29.460 0.028 0.000 1.321 508 W HN 0.544 nan 8.180 nan 0.000 0.506 509 S N 2.434 117.606 115.700 -0.880 0.000 2.751 509 S HA 0.868 5.338 4.470 -0.000 0.000 0.310 509 S C -1.294 172.629 174.600 -1.128 0.000 1.128 509 S CA -0.362 57.323 58.200 -0.858 0.000 0.931 509 S CB 1.089 63.905 63.200 -0.641 0.000 1.177 509 S HN 0.706 nan 8.310 nan 0.000 0.530 510 H N -1.103 117.572 119.070 -0.659 0.000 3.037 510 H HA 0.487 5.043 4.556 -0.000 0.000 0.336 510 H C -2.089 173.215 175.328 -0.039 0.000 1.323 510 H CA -1.020 54.853 56.048 -0.292 0.000 1.159 510 H CB 0.125 29.704 29.762 -0.306 0.000 1.882 510 H HN 0.276 nan 8.280 nan 0.000 0.535 511 D N 1.811 122.298 120.400 0.144 0.000 2.336 511 D HA 0.181 4.821 4.640 -0.000 0.000 0.249 511 D C 0.276 176.338 176.300 -0.395 0.000 1.213 511 D CA -0.080 53.882 54.000 -0.064 0.000 0.870 511 D CB 0.758 41.602 40.800 0.073 0.000 1.076 511 D HN 0.410 nan 8.370 nan 0.000 0.483 512 I N 1.632 121.929 120.570 -0.455 0.000 2.662 512 I HA 0.085 4.255 4.170 -0.000 0.000 0.285 512 I C 1.606 177.216 176.117 -0.844 0.000 1.161 512 I CA 0.548 61.424 61.300 -0.708 0.000 1.415 512 I CB 0.353 38.133 38.000 -0.367 0.000 1.385 512 I HN 0.667 nan 8.210 nan 0.000 0.552 513 G N 3.968 111.939 108.800 -1.381 0.000 2.175 513 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.244 513 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.244 513 G C 0.539 174.967 174.900 -0.788 0.000 0.982 513 G CA -0.137 44.549 45.100 -0.689 0.000 0.641 513 G HN 1.532 nan 8.290 nan 0.000 0.527 514 G N -1.842 106.126 108.800 -1.387 0.000 2.722 514 G HA2 0.137 4.097 3.960 -0.000 0.000 0.686 514 G HA3 0.137 4.097 3.960 -0.000 0.000 0.686 514 G C 0.259 175.022 174.900 -0.227 0.000 1.282 514 G CA 0.121 44.829 45.100 -0.653 0.000 0.817 514 G HN 1.418 nan 8.290 nan 0.000 0.605 515 F N 1.058 120.883 119.950 -0.209 0.000 2.059 515 F HA 0.254 4.781 4.527 -0.000 0.000 0.289 515 F C 1.530 177.212 175.800 -0.197 0.000 1.128 515 F CA 1.499 59.387 58.000 -0.187 0.000 1.181 515 F CB 0.121 39.071 39.000 -0.084 0.000 1.012 515 F HN 0.503 nan 8.300 nan 0.000 0.473 516 E N 1.945 121.948 120.200 -0.328 0.000 2.301 516 E HA 0.201 4.551 4.350 -0.000 0.000 0.275 516 E C -0.570 175.881 176.600 -0.248 0.000 1.030 516 E CA -0.088 56.010 56.400 -0.503 0.000 0.852 516 E CB 0.834 30.033 29.700 -0.835 0.000 1.060 516 E HN 0.502 nan 8.360 nan 0.000 0.401 517 N N -0.116 118.501 118.700 -0.138 0.000 6.627 517 N HA -0.153 4.587 4.740 -0.000 0.000 0.413 517 N C -0.970 174.525 175.510 -0.026 0.000 0.988 517 N CA 0.517 53.567 53.050 0.000 0.000 1.716 517 N CB -0.373 38.215 38.487 0.168 0.000 0.767 517 N HN 0.361 nan 8.380 nan 0.000 0.427 518 T N 0.300 114.863 114.554 0.016 0.000 2.792 518 T HA 0.620 4.970 4.350 -0.000 0.000 0.280 518 T C -0.465 174.279 174.700 0.073 0.000 0.990 518 T CA -0.110 62.000 62.100 0.017 0.000 0.960 518 T CB 1.194 70.040 68.868 -0.035 0.000 0.939 518 T HN 0.599 nan 8.240 nan 0.000 0.439 519 A N 5.901 128.806 122.820 0.143 0.000 2.409 519 A HA 0.631 4.951 4.320 -0.000 0.000 0.262 519 A C -2.293 175.363 177.584 0.120 0.000 1.113 519 A CA -1.287 50.822 52.037 0.119 0.000 0.790 519 A CB -0.229 18.839 19.000 0.113 0.000 1.046 519 A HN 0.506 nan 8.150 nan 0.000 0.496 520 P HA 0.117 nan 4.420 nan 0.000 0.267 520 P C 1.033 178.288 177.300 -0.075 0.000 1.201 520 P CA 0.663 63.702 63.100 -0.103 0.000 0.775 520 P CB 0.634 32.092 31.700 -0.403 0.000 0.854 521 A N 3.001 125.860 122.820 0.064 0.000 1.903 521 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 521 A C 1.958 179.533 177.584 -0.015 0.000 1.191 521 A CA 2.530 54.626 52.037 0.097 0.000 0.638 521 A CB -1.982 17.076 19.000 0.096 0.000 0.823 521 A HN 0.849 nan 8.150 nan 0.000 0.451 522 H N -1.519 117.562 119.070 0.017 0.000 2.319 522 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 522 H C 1.636 177.128 175.328 0.274 0.000 1.092 522 H CA 1.532 57.631 56.048 0.084 0.000 1.302 522 H CB -1.019 28.977 29.762 0.390 0.000 1.373 522 H HN 0.113 nan 8.280 nan 0.000 0.497 523 V N 0.614 120.452 119.914 -0.126 0.000 2.287 523 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 523 V C 2.377 178.579 176.094 0.181 0.000 1.053 523 V CA 2.206 64.463 62.300 -0.072 0.000 1.027 523 V CB -0.964 30.655 31.823 -0.340 0.000 0.646 523 V HN 0.505 nan 8.190 nan 0.000 0.447 524 Y N 1.174 121.421 120.300 -0.089 0.000 2.181 524 Y HA -0.253 4.297 4.550 -0.000 0.000 0.288 524 Y C 2.463 178.333 175.900 -0.051 0.000 1.146 524 Y CA 1.961 59.930 58.100 -0.217 0.000 1.164 524 Y CB -0.154 37.818 38.460 -0.813 0.000 0.982 524 Y HN 0.177 nan 8.280 nan 0.000 0.515 525 K N -0.337 120.095 120.400 0.053 0.000 2.057 525 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 525 K C 2.065 178.789 176.600 0.205 0.000 1.050 525 K CA 1.333 57.676 56.287 0.093 0.000 0.935 525 K CB -0.074 32.436 32.500 0.016 0.000 0.715 525 K HN 0.105 nan 8.250 nan 0.000 0.439 526 R N -0.189 120.505 120.500 0.322 0.000 2.148 526 R HA -0.080 4.260 4.340 -0.000 0.000 0.223 526 R C 1.861 178.290 176.300 0.214 0.000 1.088 526 R CA 0.791 57.064 56.100 0.287 0.000 0.985 526 R CB -0.366 30.157 30.300 0.372 0.000 0.880 526 R HN 0.431 nan 8.270 nan 0.000 0.451 527 W N 0.745 122.076 121.300 0.052 0.000 2.476 527 W HA -0.096 4.564 4.660 -0.000 0.000 0.281 527 W C 1.816 178.323 176.519 -0.021 0.000 1.230 527 W CA -0.038 57.363 57.345 0.093 0.000 1.287 527 W CB -0.473 29.015 29.460 0.047 0.000 1.108 527 W HN 0.017 nan 8.180 nan 0.000 0.567 528 C N 0.441 119.764 119.300 0.039 0.000 2.413 528 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 528 C C 3.091 178.045 174.990 -0.061 0.000 1.236 528 C CA 1.872 60.849 59.018 -0.067 0.000 1.735 528 C CB -1.534 26.129 27.740 -0.129 0.000 2.031 528 C HN 0.362 nan 8.230 nan 0.000 0.474 529 A N 0.168 122.849 122.820 -0.231 0.000 1.865 529 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 529 A C 1.981 179.477 177.584 -0.146 0.000 1.191 529 A CA 1.834 53.443 52.037 -0.713 0.000 0.623 529 A CB -0.949 17.575 19.000 -0.792 0.000 0.826 529 A HN 0.493 nan 8.150 nan 0.000 0.444 530 F N 1.384 121.283 119.950 -0.084 0.000 2.043 530 F HA -0.138 4.389 4.527 -0.000 0.000 0.297 530 F C 2.356 178.338 175.800 0.303 0.000 1.121 530 F CA 1.509 59.579 58.000 0.117 0.000 1.199 530 F CB -1.167 37.868 39.000 0.059 0.000 0.968 530 F HN 0.188 nan 8.300 nan 0.000 0.478 531 G N 0.727 109.629 108.800 0.170 0.000 2.440 531 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 531 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 531 G C 1.600 176.506 174.900 0.010 0.000 1.154 531 G CA 0.757 45.815 45.100 -0.071 0.000 0.767 531 G HN 0.366 nan 8.290 nan 0.000 0.552 532 L N -0.095 121.181 121.223 0.089 0.000 2.551 532 L HA 0.195 4.535 4.340 -0.000 0.000 0.228 532 L C 1.414 178.415 176.870 0.218 0.000 1.153 532 L CA 0.710 55.645 54.840 0.158 0.000 0.851 532 L CB -0.286 41.909 42.059 0.227 0.000 0.959 532 L HN 0.145 nan 8.230 nan 0.000 0.451 533 L N -1.468 119.908 121.223 0.254 0.000 3.017 533 L HA 0.255 4.595 4.340 -0.000 0.000 0.255 533 L C 0.678 177.824 176.870 0.460 0.000 1.247 533 L CA 0.216 55.265 54.840 0.349 0.000 1.038 533 L CB -0.226 42.041 42.059 0.347 0.000 1.380 533 L HN -0.013 nan 8.230 nan 0.000 0.548 534 S N -1.579 114.319 115.700 0.330 0.000 2.739 534 S HA 0.377 4.847 4.470 -0.000 0.000 0.306 534 S C 1.257 176.004 174.600 0.245 0.000 1.115 534 S CA 0.095 58.483 58.200 0.312 0.000 0.985 534 S CB 1.920 65.284 63.200 0.273 0.000 1.133 534 S HN 0.336 nan 8.310 nan 0.000 0.541 535 S N 0.562 116.425 115.700 0.271 0.000 2.356 535 S HA -0.088 4.382 4.470 -0.000 0.000 0.223 535 S C 0.147 174.646 174.600 -0.168 0.000 1.032 535 S CA 1.131 59.483 58.200 0.253 0.000 1.005 535 S CB -0.525 62.972 63.200 0.495 0.000 0.867 535 S HN 0.738 nan 8.310 nan 0.000 0.449 536 H N 0.198 119.227 119.070 -0.067 0.000 2.538 536 H HA 0.718 5.274 4.556 -0.000 0.000 0.353 536 H C -1.075 174.111 175.328 -0.237 0.000 1.109 536 H CA -0.438 55.475 56.048 -0.225 0.000 1.192 536 H CB 1.981 31.489 29.762 -0.423 0.000 1.555 536 H HN 0.156 nan 8.280 nan 0.000 0.518 537 S N 2.880 118.512 115.700 -0.114 0.000 2.707 537 S HA 0.484 4.954 4.470 -0.000 0.000 0.312 537 S C -0.570 173.978 174.600 -0.088 0.000 1.116 537 S CA -0.827 57.310 58.200 -0.104 0.000 1.078 537 S CB 0.889 64.116 63.200 0.044 0.000 0.997 537 S HN 0.562 nan 8.310 nan 0.000 0.477 538 R N 3.264 123.645 120.500 -0.199 0.000 2.533 538 R HA 0.456 4.796 4.340 -0.000 0.000 0.288 538 R C -1.754 174.443 176.300 -0.172 0.000 1.039 538 R CA -0.650 55.343 56.100 -0.180 0.000 0.909 538 R CB 0.822 30.877 30.300 -0.409 0.000 1.195 538 R HN 0.557 nan 8.270 nan 0.000 0.438 539 L N 4.854 126.022 121.223 -0.091 0.000 2.283 539 L HA 0.374 4.714 4.340 -0.000 0.000 0.287 539 L C -0.479 176.372 176.870 -0.031 0.000 1.073 539 L CA -0.365 54.431 54.840 -0.073 0.000 0.822 539 L CB 0.608 42.654 42.059 -0.023 0.000 1.186 539 L HN 0.590 nan 8.230 nan 0.000 0.436 540 H N 2.362 121.339 119.070 -0.155 0.000 2.974 540 H HA 0.752 5.308 4.556 -0.000 0.000 0.366 540 H C -0.699 174.627 175.328 -0.004 0.000 1.155 540 H CA -0.499 55.489 56.048 -0.100 0.000 1.186 540 H CB 2.046 31.703 29.762 -0.176 0.000 1.799 540 H HN 0.530 nan 8.280 nan 0.000 0.541 541 G N 1.304 109.788 108.800 -0.527 0.000 2.642 541 G HA2 0.371 4.330 3.960 -0.000 0.000 0.293 541 G HA3 0.371 4.330 3.960 -0.000 0.000 0.293 541 G C -0.034 174.469 174.900 -0.662 0.000 1.341 541 G CA -0.058 44.755 45.100 -0.477 0.000 0.916 541 G HN 0.637 nan 8.290 nan 0.000 0.474 542 S N -0.486 114.674 115.700 -0.901 0.000 2.327 542 S HA 0.041 4.511 4.470 -0.000 0.000 0.213 542 S C 1.719 176.154 174.600 -0.275 0.000 1.032 542 S CA 1.229 58.911 58.200 -0.863 0.000 0.960 542 S CB -0.181 62.194 63.200 -1.375 0.000 0.900 542 S HN 0.476 nan 8.310 nan 0.000 0.469 543 K N 0.679 120.893 120.400 -0.310 0.000 2.373 543 K HA 0.242 4.562 4.320 -0.000 0.000 0.200 543 K C -0.017 176.407 176.600 -0.293 0.000 1.054 543 K CA 0.113 56.255 56.287 -0.241 0.000 1.065 543 K CB 0.998 33.383 32.500 -0.192 0.000 0.886 543 K HN 0.463 nan 8.250 nan 0.000 0.546 544 S N -0.472 115.036 115.700 -0.319 0.000 2.618 544 S HA 0.454 4.924 4.470 -0.000 0.000 0.277 544 S C -0.711 173.682 174.600 -0.344 0.000 1.138 544 S CA -1.012 56.953 58.200 -0.392 0.000 0.844 544 S CB 0.637 63.670 63.200 -0.278 0.000 1.127 544 S HN -0.016 nan 8.310 nan 0.000 0.474 545 Y N 0.842 121.057 120.300 -0.142 0.000 2.457 545 Y HA 0.411 4.961 4.550 -0.000 0.000 0.341 545 Y C 1.716 177.466 175.900 -0.250 0.000 1.240 545 Y CA -0.708 57.256 58.100 -0.227 0.000 1.437 545 Y CB 0.452 38.724 38.460 -0.312 0.000 1.328 545 Y HN 0.550 nan 8.280 nan 0.000 0.588 546 R N 1.142 121.590 120.500 -0.086 0.000 2.546 546 R HA 0.177 4.517 4.340 -0.000 0.000 0.320 546 R C -0.813 175.409 176.300 -0.130 0.000 1.021 546 R CA -0.199 55.892 56.100 -0.017 0.000 1.088 546 R CB -0.558 29.756 30.300 0.023 0.000 1.278 546 R HN 0.515 nan 8.270 nan 0.000 0.557 547 V N 0.146 119.774 119.914 -0.478 0.000 2.655 547 V HA 0.158 4.278 4.120 -0.000 0.000 0.300 547 V C -1.277 174.444 176.094 -0.622 0.000 1.044 547 V CA -1.257 60.553 62.300 -0.816 0.000 1.095 547 V CB 0.802 31.563 31.823 -1.769 0.000 0.952 547 V HN -0.043 nan 8.190 nan 0.000 0.485 548 P HA -0.078 nan 4.420 nan 0.000 0.220 548 P C 1.253 178.609 177.300 0.093 0.000 1.148 548 P CA 1.600 64.732 63.100 0.053 0.000 0.803 548 P CB -0.137 31.744 31.700 0.301 0.000 0.782 549 W N -0.334 121.002 121.300 0.060 0.000 2.825 549 W HA 0.380 5.040 4.660 -0.000 0.000 0.243 549 W C 1.702 178.200 176.519 -0.034 0.000 1.293 549 W CA 0.407 57.769 57.345 0.029 0.000 1.403 549 W CB -1.558 27.918 29.460 0.026 0.000 1.134 549 W HN -0.127 nan 8.180 nan 0.000 0.666 550 A N -0.147 122.501 122.820 -0.287 0.000 2.119 550 A HA -0.000 4.320 4.320 -0.000 0.000 0.217 550 A C 1.353 178.603 177.584 -0.556 0.000 1.153 550 A CA 0.945 52.729 52.037 -0.421 0.000 0.692 550 A CB -0.689 17.940 19.000 -0.618 0.000 0.799 550 A HN 0.483 nan 8.150 nan 0.000 0.458 551 Y N 0.247 120.401 120.300 -0.243 0.000 2.265 551 Y HA 0.276 4.826 4.550 -0.000 0.000 0.290 551 Y C 0.554 176.412 175.900 -0.070 0.000 1.137 551 Y CA 0.476 58.448 58.100 -0.213 0.000 1.147 551 Y CB 0.291 38.520 38.460 -0.385 0.000 1.104 551 Y HN 0.511 nan 8.280 nan 0.000 0.514 552 D N -3.294 117.192 120.400 0.143 0.000 2.769 552 D HA 0.054 4.694 4.640 -0.000 0.000 0.309 552 D C -0.294 176.099 176.300 0.154 0.000 1.315 552 D CA -0.437 53.636 54.000 0.122 0.000 0.780 552 D CB 0.099 40.956 40.800 0.096 0.000 1.312 552 D HN -0.159 nan 8.370 nan 0.000 0.437 553 D N -0.108 120.373 120.400 0.135 0.000 2.104 553 D HA -0.159 4.480 4.640 -0.000 0.000 0.194 553 D C 1.490 177.880 176.300 0.150 0.000 0.994 553 D CA 1.642 55.726 54.000 0.140 0.000 0.830 553 D CB 0.018 40.883 40.800 0.109 0.000 0.959 553 D HN 0.669 nan 8.370 nan 0.000 0.452 554 E N 0.283 120.563 120.200 0.134 0.000 2.171 554 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 554 E C 1.864 178.566 176.600 0.170 0.000 0.997 554 E CA 1.090 57.575 56.400 0.143 0.000 0.810 554 E CB 0.109 29.884 29.700 0.126 0.000 0.738 554 E HN 0.025 nan 8.360 nan 0.000 0.467 555 S N -0.373 115.435 115.700 0.179 0.000 2.382 555 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 555 S C 2.009 176.781 174.600 0.287 0.000 1.027 555 S CA 1.053 59.405 58.200 0.254 0.000 0.991 555 S CB -0.253 63.120 63.200 0.289 0.000 0.823 555 S HN 0.481 nan 8.310 nan 0.000 0.469 556 C N 1.803 121.261 119.300 0.263 0.000 2.446 556 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 556 C C 2.415 177.540 174.990 0.225 0.000 1.275 556 C CA 0.341 59.518 59.018 0.265 0.000 1.727 556 C CB -1.234 26.657 27.740 0.253 0.000 2.010 556 C HN 0.548 nan 8.230 nan 0.000 0.486 557 D N 0.814 121.333 120.400 0.198 0.000 2.117 557 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 557 D C 2.172 178.608 176.300 0.227 0.000 0.987 557 D CA 1.092 55.202 54.000 0.183 0.000 0.829 557 D CB -0.512 40.380 40.800 0.153 0.000 0.961 557 D HN 0.301 nan 8.370 nan 0.000 0.460 558 V N 0.616 120.692 119.914 0.271 0.000 2.307 558 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 558 V C 2.672 179.030 176.094 0.439 0.000 1.045 558 V CA 0.976 63.509 62.300 0.388 0.000 1.024 558 V CB -0.456 31.601 31.823 0.390 0.000 0.651 558 V HN 0.053 nan 8.190 nan 0.000 0.449 559 V N -0.132 119.978 119.914 0.326 0.000 2.295 559 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 559 V C 2.573 178.818 176.094 0.252 0.000 1.049 559 V CA 2.481 64.951 62.300 0.283 0.000 1.024 559 V CB -0.735 31.235 31.823 0.245 0.000 0.648 559 V HN 0.471 nan 8.190 nan 0.000 0.447 560 R N -0.779 119.850 120.500 0.215 0.000 2.080 560 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 560 R C 2.257 178.613 176.300 0.092 0.000 1.137 560 R CA 2.244 58.432 56.100 0.146 0.000 0.943 560 R CB -0.479 29.898 30.300 0.129 0.000 0.846 560 R HN 0.476 nan 8.270 nan 0.000 0.431 561 F N 0.020 119.933 119.950 -0.061 0.000 2.095 561 F HA -0.194 4.333 4.527 -0.000 0.000 0.298 561 F C 1.513 177.079 175.800 -0.389 0.000 1.104 561 F CA 1.629 59.453 58.000 -0.293 0.000 1.232 561 F CB -0.205 38.516 39.000 -0.466 0.000 0.987 561 F HN -0.007 nan 8.300 nan 0.000 0.475 562 F N -0.129 119.917 119.950 0.160 0.000 2.367 562 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 562 F C 2.432 178.239 175.800 0.012 0.000 1.094 562 F CA 1.379 59.415 58.000 0.060 0.000 1.409 562 F CB -1.247 37.870 39.000 0.195 0.000 1.064 562 F HN -0.157 nan 8.300 nan 0.000 0.528 563 T N -0.573 114.094 114.554 0.189 0.000 2.777 563 T HA -0.204 4.146 4.350 -0.000 0.000 0.266 563 T C 1.906 176.652 174.700 0.076 0.000 1.040 563 T CA 1.348 63.547 62.100 0.165 0.000 1.141 563 T CB -0.320 68.664 68.868 0.193 0.000 0.868 563 T HN 0.286 nan 8.240 nan 0.000 0.444 564 Q N 0.217 119.994 119.800 -0.038 0.000 2.030 564 Q HA -0.093 4.247 4.340 -0.000 0.000 0.204 564 Q C 2.354 178.243 176.000 -0.185 0.000 0.986 564 Q CA 1.238 56.965 55.803 -0.126 0.000 0.843 564 Q CB -0.411 28.194 28.738 -0.222 0.000 0.904 564 Q HN 0.300 nan 8.270 nan 0.000 0.420 565 L N 1.448 122.463 121.223 -0.347 0.000 1.970 565 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 565 L C 2.200 179.030 176.870 -0.067 0.000 1.071 565 L CA 1.993 56.639 54.840 -0.322 0.000 0.751 565 L CB -0.582 41.209 42.059 -0.446 0.000 0.889 565 L HN 0.070 nan 8.230 nan 0.000 0.432 566 K N -1.221 119.204 120.400 0.041 0.000 2.074 566 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 566 K C 2.115 178.784 176.600 0.114 0.000 1.048 566 K CA 2.097 58.456 56.287 0.120 0.000 0.926 566 K CB -0.402 32.202 32.500 0.174 0.000 0.713 566 K HN 0.554 nan 8.250 nan 0.000 0.444 567 C N 0.395 119.759 119.300 0.107 0.000 2.446 567 C HA 0.003 4.463 4.460 -0.000 0.000 0.277 567 C C 2.578 177.702 174.990 0.223 0.000 1.275 567 C CA 0.427 59.547 59.018 0.169 0.000 1.727 567 C CB -0.823 26.992 27.740 0.126 0.000 2.010 567 C HN 0.499 nan 8.230 nan 0.000 0.486 568 R N 0.408 120.969 120.500 0.101 0.000 2.105 568 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 568 R C 1.946 178.317 176.300 0.117 0.000 1.135 568 R CA 1.312 57.473 56.100 0.102 0.000 0.967 568 R CB -0.391 29.904 30.300 -0.008 0.000 0.861 568 R HN 0.566 nan 8.270 nan 0.000 0.442 569 M N 0.060 119.711 119.600 0.085 0.000 2.686 569 M HA -0.028 4.452 4.480 -0.000 0.000 0.246 569 M C 1.735 178.053 176.300 0.030 0.000 1.096 569 M CA 0.545 55.902 55.300 0.095 0.000 1.076 569 M CB 0.058 32.741 32.600 0.138 0.000 1.504 569 M HN 0.058 nan 8.290 nan 0.000 0.524 570 M N 0.063 119.637 119.600 -0.043 0.000 2.149 570 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 570 M C -0.661 175.200 176.300 -0.731 0.000 1.064 570 M CA 1.869 56.956 55.300 -0.355 0.000 1.102 570 M CB -2.190 30.227 32.600 -0.305 0.000 1.369 570 M HN 0.008 nan 8.290 nan 0.000 0.408 571 P HA -0.183 nan 4.420 nan 0.000 0.218 571 P C 1.492 178.642 177.300 -0.250 0.000 1.148 571 P CA 1.203 64.004 63.100 -0.497 0.000 0.822 571 P CB -0.289 31.319 31.700 -0.155 0.000 0.784 572 Y N -0.389 119.771 120.300 -0.233 0.000 2.231 572 Y HA -0.048 4.502 4.550 -0.000 0.000 0.294 572 Y C 1.908 177.707 175.900 -0.168 0.000 1.120 572 Y CA 1.033 59.051 58.100 -0.138 0.000 1.141 572 Y CB -1.020 37.401 38.460 -0.065 0.000 1.022 572 Y HN -0.268 nan 8.280 nan 0.000 0.523 573 L N -0.402 120.641 121.223 -0.300 0.000 2.017 573 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 573 L C 2.194 178.801 176.870 -0.438 0.000 1.073 573 L CA 1.822 56.441 54.840 -0.367 0.000 0.745 573 L CB -1.726 40.227 42.059 -0.178 0.000 0.894 573 L HN 0.363 nan 8.230 nan 0.000 0.432 574 Y N -0.208 119.665 120.300 -0.712 0.000 2.373 574 Y HA -0.199 4.351 4.550 -0.000 0.000 0.293 574 Y C 2.707 178.351 175.900 -0.426 0.000 1.129 574 Y CA 1.145 58.820 58.100 -0.709 0.000 1.226 574 Y CB -0.065 37.781 38.460 -1.024 0.000 1.000 574 Y HN 0.094 nan 8.280 nan 0.000 0.549 575 R N 0.781 121.083 120.500 -0.329 0.000 2.092 575 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 575 R C 1.795 177.925 176.300 -0.283 0.000 1.119 575 R CA 1.778 57.727 56.100 -0.252 0.000 0.970 575 R CB -0.366 29.828 30.300 -0.177 0.000 0.864 575 R HN 0.178 nan 8.270 nan 0.000 0.440 576 E N 0.114 120.091 120.200 -0.371 0.000 2.208 576 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 576 E C 1.805 178.274 176.600 -0.219 0.000 0.988 576 E CA 1.162 57.371 56.400 -0.318 0.000 0.828 576 E CB -0.279 29.166 29.700 -0.425 0.000 0.763 576 E HN 0.441 nan 8.360 nan 0.000 0.478 577 A N 1.585 124.278 122.820 -0.212 0.000 1.898 577 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 577 A C 2.427 179.967 177.584 -0.073 0.000 1.181 577 A CA 1.783 53.810 52.037 -0.016 0.000 0.620 577 A CB -0.540 18.424 19.000 -0.061 0.000 0.819 577 A HN 0.254 nan 8.150 nan 0.000 0.442 578 A N -0.553 122.112 122.820 -0.259 0.000 2.024 578 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 578 A C 2.219 179.737 177.584 -0.110 0.000 1.164 578 A CA 1.657 53.589 52.037 -0.176 0.000 0.643 578 A CB -0.471 18.422 19.000 -0.179 0.000 0.806 578 A HN 0.535 nan 8.150 nan 0.000 0.451 579 R N -0.680 119.741 120.500 -0.132 0.000 2.092 579 R HA -0.038 4.302 4.340 -0.000 0.000 0.231 579 R C 2.345 178.568 176.300 -0.128 0.000 1.119 579 R CA 1.115 57.142 56.100 -0.123 0.000 0.970 579 R CB -0.306 29.911 30.300 -0.139 0.000 0.864 579 R HN 0.483 nan 8.270 nan 0.000 0.440 580 A N 1.215 123.942 122.820 -0.155 0.000 1.902 580 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 580 A C 1.927 179.451 177.584 -0.101 0.000 1.181 580 A CA 1.614 53.530 52.037 -0.203 0.000 0.623 580 A CB -0.865 17.858 19.000 -0.463 0.000 0.818 580 A HN 0.527 nan 8.150 nan 0.000 0.443 581 N N 0.190 118.882 118.700 -0.013 0.000 2.166 581 N HA -0.117 4.623 4.740 -0.000 0.000 0.186 581 N C 1.768 177.247 175.510 -0.051 0.000 1.019 581 N CA 1.481 54.532 53.050 0.002 0.000 0.856 581 N CB -0.151 38.355 38.487 0.031 0.000 0.993 581 N HN 0.385 nan 8.380 nan 0.000 0.426 582 A N 0.266 123.047 122.820 -0.064 0.000 1.956 582 A HA 0.169 4.489 4.320 -0.000 0.000 0.212 582 A C 2.046 179.582 177.584 -0.079 0.000 1.188 582 A CA 0.419 52.417 52.037 -0.066 0.000 0.675 582 A CB 0.145 19.109 19.000 -0.060 0.000 0.845 582 A HN 0.221 nan 8.150 nan 0.000 0.455 583 R N -2.032 118.413 120.500 -0.092 0.000 2.531 583 R HA 0.231 4.571 4.340 -0.000 0.000 0.316 583 R C 0.931 177.165 176.300 -0.110 0.000 0.955 583 R CA 0.560 56.604 56.100 -0.094 0.000 1.120 583 R CB 0.638 30.887 30.300 -0.086 0.000 1.361 583 R HN 0.631 nan 8.270 nan 0.000 0.534 584 G N 1.503 110.223 108.800 -0.132 0.000 2.166 584 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 584 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 584 G C 0.144 174.950 174.900 -0.158 0.000 0.986 584 G CA 0.799 45.805 45.100 -0.157 0.000 0.683 584 G HN 0.266 nan 8.290 nan 0.000 0.527 585 T N 3.864 118.327 114.554 -0.152 0.000 2.743 585 T HA 0.458 4.808 4.350 -0.000 0.000 0.290 585 T C -1.493 173.092 174.700 -0.191 0.000 0.908 585 T CA -0.402 61.609 62.100 -0.149 0.000 1.092 585 T CB 1.700 70.490 68.868 -0.129 0.000 0.882 585 T HN 0.328 nan 8.240 nan 0.000 0.531 586 P HA 0.103 nan 4.420 nan 0.000 0.269 586 P C 0.725 177.912 177.300 -0.190 0.000 1.217 586 P CA -0.227 62.736 63.100 -0.229 0.000 0.783 586 P CB 0.851 32.456 31.700 -0.159 0.000 0.898 587 M N 0.515 119.990 119.600 -0.208 0.000 2.288 587 M HA 0.019 4.499 4.480 -0.000 0.000 0.266 587 M C 1.390 177.715 176.300 0.041 0.000 1.072 587 M CA 1.390 56.644 55.300 -0.077 0.000 1.132 587 M CB 0.003 32.597 32.600 -0.010 0.000 1.386 587 M HN 0.373 nan 8.290 nan 0.000 0.432 588 M N 1.305 120.923 119.600 0.029 0.000 2.055 588 M HA 0.299 4.779 4.480 -0.000 0.000 0.347 588 M C -1.099 175.197 176.300 -0.007 0.000 1.123 588 M CA -0.114 55.214 55.300 0.047 0.000 1.035 588 M CB 0.500 33.058 32.600 -0.069 0.000 1.484 588 M HN -0.036 nan 8.290 nan 0.000 0.428 589 R N 3.701 124.252 120.500 0.085 0.000 2.494 589 R HA 0.664 5.004 4.340 -0.000 0.000 0.305 589 R C -0.318 176.022 176.300 0.067 0.000 0.959 589 R CA -0.694 55.422 56.100 0.026 0.000 0.864 589 R CB 1.783 32.094 30.300 0.018 0.000 1.159 589 R HN 0.836 nan 8.270 nan 0.000 0.446 590 A N 3.820 126.629 122.820 -0.018 0.000 2.565 590 A HA -0.029 4.291 4.320 -0.000 0.000 0.237 590 A C 1.380 178.979 177.584 0.024 0.000 1.053 590 A CA -0.076 51.950 52.037 -0.019 0.000 0.755 590 A CB 0.154 19.074 19.000 -0.133 0.000 0.980 590 A HN 0.778 nan 8.150 nan 0.000 0.506 591 M N 2.212 121.858 119.600 0.077 0.000 2.089 591 M HA -0.272 4.208 4.480 -0.000 0.000 0.257 591 M C 2.090 178.461 176.300 0.119 0.000 1.071 591 M CA 2.714 58.107 55.300 0.156 0.000 1.096 591 M CB -1.690 30.976 32.600 0.109 0.000 1.330 591 M HN 1.024 nan 8.290 nan 0.000 0.403 592 M N -0.845 118.736 119.600 -0.032 0.000 2.149 592 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 592 M C 2.167 178.384 176.300 -0.138 0.000 1.064 592 M CA 1.922 57.151 55.300 -0.119 0.000 1.102 592 M CB -1.028 31.376 32.600 -0.327 0.000 1.369 592 M HN 0.252 nan 8.290 nan 0.000 0.408 593 M N -0.341 119.161 119.600 -0.164 0.000 2.175 593 M HA -0.158 4.322 4.480 -0.000 0.000 0.264 593 M C 1.898 178.124 176.300 -0.123 0.000 1.063 593 M CA 1.999 57.209 55.300 -0.150 0.000 1.119 593 M CB -0.071 32.440 32.600 -0.148 0.000 1.377 593 M HN 0.484 nan 8.290 nan 0.000 0.415 594 E N -0.275 119.864 120.200 -0.102 0.000 2.250 594 E HA 0.009 4.359 4.350 -0.000 0.000 0.192 594 E C -0.444 175.828 176.600 -0.546 0.000 0.986 594 E CA 0.870 57.081 56.400 -0.314 0.000 0.849 594 E CB 0.247 29.753 29.700 -0.325 0.000 0.797 594 E HN 0.487 nan 8.360 nan 0.000 0.482 595 F N 0.473 120.430 119.950 0.012 0.000 2.584 595 F HA 0.317 4.844 4.527 -0.000 0.000 0.328 595 F C -1.818 173.980 175.800 -0.002 0.000 1.407 595 F CA -1.679 56.340 58.000 0.032 0.000 1.145 595 F CB 1.835 40.885 39.000 0.083 0.000 1.440 595 F HN -0.038 nan 8.300 nan 0.000 0.580 596 P HA -0.080 nan 4.420 nan 0.000 0.230 596 P C 0.336 177.667 177.300 0.050 0.000 1.158 596 P CA 1.226 64.341 63.100 0.025 0.000 0.769 596 P CB 0.427 32.114 31.700 -0.022 0.000 0.807 597 D N -0.843 119.612 120.400 0.091 0.000 2.369 597 D HA 0.017 4.657 4.640 -0.000 0.000 0.211 597 D C 0.146 176.499 176.300 0.089 0.000 1.077 597 D CA 0.265 54.312 54.000 0.078 0.000 0.842 597 D CB 0.128 40.975 40.800 0.077 0.000 0.947 597 D HN 0.130 nan 8.370 nan 0.000 0.509 598 D N 1.907 122.376 120.400 0.115 0.000 2.380 598 D HA 0.072 4.712 4.640 -0.000 0.000 0.230 598 D C -1.372 174.935 176.300 0.010 0.000 1.154 598 D CA -1.994 52.055 54.000 0.082 0.000 0.859 598 D CB 1.897 42.764 40.800 0.112 0.000 1.045 598 D HN -0.049 nan 8.370 nan 0.000 0.495 599 P HA -0.056 nan 4.420 nan 0.000 0.226 599 P C 0.817 178.086 177.300 -0.051 0.000 1.153 599 P CA 0.364 63.460 63.100 -0.007 0.000 0.777 599 P CB 0.293 32.002 31.700 0.014 0.000 0.794 600 A N -0.896 121.824 122.820 -0.166 0.000 2.167 600 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 600 A C 2.054 179.388 177.584 -0.418 0.000 1.151 600 A CA 0.711 52.525 52.037 -0.373 0.000 0.735 600 A CB -1.300 17.188 19.000 -0.852 0.000 0.802 600 A HN 0.252 nan 8.150 nan 0.000 0.467 601 C N -0.373 118.779 119.300 -0.247 0.000 2.799 601 C HA 0.087 4.547 4.460 -0.000 0.000 0.267 601 C C 1.744 176.704 174.990 -0.050 0.000 1.257 601 C CA -0.100 58.832 59.018 -0.143 0.000 1.702 601 C CB -0.791 26.927 27.740 -0.036 0.000 1.934 601 C HN 0.554 nan 8.230 nan 0.000 0.594 602 D N 0.770 121.142 120.400 -0.046 0.000 2.149 602 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 602 D C 1.049 177.211 176.300 -0.230 0.000 0.990 602 D CA 1.678 55.592 54.000 -0.142 0.000 0.839 602 D CB -0.108 40.525 40.800 -0.279 0.000 0.948 602 D HN 0.576 nan 8.370 nan 0.000 0.460 603 Y N -0.178 120.165 120.300 0.072 0.000 2.467 603 Y HA 0.283 4.833 4.550 -0.000 0.000 0.250 603 Y C 0.524 176.466 175.900 0.070 0.000 1.155 603 Y CA -0.362 57.777 58.100 0.066 0.000 1.249 603 Y CB 0.254 38.732 38.460 0.030 0.000 1.146 603 Y HN -0.220 nan 8.280 nan 0.000 0.524 604 L N 2.752 124.069 121.223 0.157 0.000 2.500 604 L HA 0.034 4.374 4.340 -0.000 0.000 0.272 604 L C 0.405 177.333 176.870 0.097 0.000 1.149 604 L CA 0.355 55.265 54.840 0.117 0.000 0.897 604 L CB 0.406 42.484 42.059 0.033 0.000 1.178 604 L HN 0.314 nan 8.230 nan 0.000 0.473 605 D N 1.426 121.881 120.400 0.093 0.000 2.520 605 D HA -0.006 4.634 4.640 -0.000 0.000 0.223 605 D C 1.173 177.490 176.300 0.030 0.000 1.186 605 D CA -0.112 53.917 54.000 0.050 0.000 0.821 605 D CB 0.313 41.131 40.800 0.029 0.000 1.072 605 D HN 0.379 nan 8.370 nan 0.000 0.518 606 R N 0.359 120.895 120.500 0.060 0.000 2.432 606 R HA 0.240 4.580 4.340 -0.000 0.000 0.260 606 R C 0.306 176.721 176.300 0.192 0.000 0.935 606 R CA 0.046 56.203 56.100 0.095 0.000 1.080 606 R CB 0.452 30.782 30.300 0.049 0.000 1.155 606 R HN 0.403 nan 8.270 nan 0.000 0.531 607 Q N -0.170 119.723 119.800 0.156 0.000 2.590 607 Q HA 0.458 4.798 4.340 -0.000 0.000 0.295 607 Q C -1.411 174.718 176.000 0.216 0.000 0.973 607 Q CA -1.228 54.636 55.803 0.101 0.000 0.768 607 Q CB 1.597 30.326 28.738 -0.015 0.000 1.479 607 Q HN 0.084 nan 8.270 nan 0.000 0.419 608 Y N -2.149 118.158 120.300 0.011 0.000 2.677 608 Y HA 0.637 5.187 4.550 -0.000 0.000 0.334 608 Y C -1.535 174.409 175.900 0.074 0.000 1.196 608 Y CA -1.611 56.514 58.100 0.042 0.000 1.059 608 Y CB 1.239 39.733 38.460 0.055 0.000 1.315 608 Y HN 0.521 nan 8.280 nan 0.000 0.455 609 M N 3.183 122.939 119.600 0.261 0.000 2.144 609 M HA 0.322 4.802 4.480 -0.000 0.000 0.356 609 M C -1.102 175.377 176.300 0.297 0.000 1.217 609 M CA -0.660 54.767 55.300 0.211 0.000 1.087 609 M CB 1.274 33.995 32.600 0.202 0.000 1.609 609 M HN 0.739 nan 8.290 nan 0.000 0.467 610 L N 4.260 125.638 121.223 0.258 0.000 2.270 610 L HA 0.602 4.942 4.340 -0.000 0.000 0.286 610 L C 0.611 177.636 176.870 0.259 0.000 1.059 610 L CA 0.752 55.785 54.840 0.322 0.000 0.839 610 L CB -0.111 42.155 42.059 0.344 0.000 1.221 610 L HN 0.971 nan 8.230 nan 0.000 0.431 611 G N 4.177 113.055 108.800 0.129 0.000 2.645 611 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.246 611 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.246 611 G C 0.445 175.404 174.900 0.099 0.000 1.322 611 G CA 0.151 45.261 45.100 0.017 0.000 0.898 611 G HN 0.561 nan 8.290 nan 0.000 0.573 612 D N 0.508 120.956 120.400 0.079 0.000 2.178 612 D HA -0.027 4.613 4.640 -0.000 0.000 0.202 612 D C 2.014 178.373 176.300 0.100 0.000 0.974 612 D CA 1.514 55.546 54.000 0.053 0.000 0.841 612 D CB -0.004 40.811 40.800 0.026 0.000 0.953 612 D HN 0.354 nan 8.370 nan 0.000 0.478 613 N N -0.455 118.366 118.700 0.202 0.000 2.166 613 N HA 0.036 4.776 4.740 -0.000 0.000 0.213 613 N C -0.064 175.462 175.510 0.027 0.000 1.222 613 N CA 0.004 53.086 53.050 0.053 0.000 0.900 613 N CB 2.197 40.654 38.487 -0.049 0.000 1.055 613 N HN 0.053 nan 8.380 nan 0.000 0.515 614 V N 1.082 121.067 119.914 0.119 0.000 2.540 614 V HA 0.549 4.669 4.120 -0.000 0.000 0.302 614 V C -0.575 175.594 176.094 0.125 0.000 1.035 614 V CA -0.767 61.578 62.300 0.074 0.000 0.873 614 V CB 2.153 33.918 31.823 -0.097 0.000 0.992 614 V HN -0.070 nan 8.190 nan 0.000 0.428 615 M N 7.619 127.288 119.600 0.116 0.000 2.113 615 M HA 0.528 5.008 4.480 -0.000 0.000 0.352 615 M C -1.117 175.029 176.300 -0.258 0.000 1.170 615 M CA -0.224 55.036 55.300 -0.067 0.000 1.053 615 M CB 1.044 33.510 32.600 -0.223 0.000 1.601 615 M HN 0.873 nan 8.290 nan 0.000 0.459 616 V N 5.200 124.834 119.914 -0.467 0.000 2.513 616 V HA 0.923 5.043 4.120 -0.000 0.000 0.299 616 V C -0.978 174.758 176.094 -0.598 0.000 1.035 616 V CA -0.337 61.617 62.300 -0.577 0.000 0.889 616 V CB 1.585 33.111 31.823 -0.494 0.000 0.988 616 V HN 0.971 nan 8.190 nan 0.000 0.440 617 A N 7.259 129.826 122.820 -0.422 0.000 2.586 617 A HA 0.825 5.145 4.320 -0.000 0.000 0.320 617 A C -2.766 174.668 177.584 -0.251 0.000 1.281 617 A CA -1.660 50.211 52.037 -0.277 0.000 0.775 617 A CB 0.675 19.488 19.000 -0.312 0.000 1.122 617 A HN 0.751 nan 8.150 nan 0.000 0.470 618 P HA 0.180 nan 4.420 nan 0.000 0.270 618 P C -0.313 176.666 177.300 -0.534 0.000 1.227 618 P CA 0.014 62.843 63.100 -0.453 0.000 0.788 618 P CB 0.722 31.931 31.700 -0.818 0.000 0.926 619 V N 2.637 122.244 119.914 -0.511 0.000 2.370 619 V HA 0.229 4.349 4.120 -0.000 0.000 0.283 619 V C 0.180 175.972 176.094 -0.502 0.000 1.023 619 V CA 0.119 62.218 62.300 -0.335 0.000 0.857 619 V CB 0.415 32.152 31.823 -0.144 0.000 0.985 619 V HN 0.428 nan 8.190 nan 0.000 0.443 620 F N 2.721 122.525 119.950 -0.244 0.000 2.750 620 F HA 0.292 4.819 4.527 -0.000 0.000 0.297 620 F C 1.059 176.253 175.800 -1.010 0.000 1.138 620 F CA -0.242 57.453 58.000 -0.509 0.000 1.346 620 F CB 0.532 39.379 39.000 -0.255 0.000 0.965 620 F HN 0.577 nan 8.300 nan 0.000 0.514 621 T N -4.818 109.362 114.554 -0.623 0.000 2.903 621 T HA 0.267 4.617 4.350 -0.000 0.000 0.299 621 T C 0.769 175.433 174.700 -0.060 0.000 1.093 621 T CA -0.720 61.127 62.100 -0.423 0.000 1.002 621 T CB 2.288 71.081 68.868 -0.126 0.000 1.127 621 T HN 0.168 nan 8.240 nan 0.000 0.488 622 E N 1.142 121.423 120.200 0.135 0.000 2.058 622 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 622 E C 2.170 178.798 176.600 0.046 0.000 0.997 622 E CA 1.514 57.999 56.400 0.142 0.000 0.801 622 E CB -0.473 29.047 29.700 -0.300 0.000 0.746 622 E HN 0.799 nan 8.360 nan 0.000 0.450 623 A N -0.296 122.516 122.820 -0.014 0.000 2.066 623 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 623 A C 1.847 179.379 177.584 -0.087 0.000 1.157 623 A CA 1.328 53.336 52.037 -0.047 0.000 0.670 623 A CB -0.381 18.609 19.000 -0.018 0.000 0.804 623 A HN 0.587 nan 8.150 nan 0.000 0.453 624 G N -0.880 107.881 108.800 -0.066 0.000 2.148 624 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.203 624 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.203 624 G C -0.430 174.492 174.900 0.037 0.000 0.993 624 G CA 0.060 45.130 45.100 -0.050 0.000 0.661 624 G HN 0.463 nan 8.290 nan 0.000 0.518 625 D N 0.001 120.418 120.400 0.029 0.000 2.382 625 D HA 0.482 5.122 4.640 -0.000 0.000 0.245 625 D C 0.031 176.391 176.300 0.100 0.000 1.120 625 D CA 0.675 54.716 54.000 0.068 0.000 0.890 625 D CB 2.353 43.176 40.800 0.038 0.000 1.201 625 D HN 0.503 nan 8.370 nan 0.000 0.433 626 V N 1.841 121.856 119.914 0.169 0.000 2.950 626 V HA 0.175 4.295 4.120 -0.000 0.000 0.295 626 V C -1.760 174.517 176.094 0.304 0.000 1.297 626 V CA -0.576 61.859 62.300 0.224 0.000 0.962 626 V CB 2.209 34.152 31.823 0.200 0.000 1.081 626 V HN 0.471 nan 8.190 nan 0.000 0.432 627 Q N 5.160 125.150 119.800 0.316 0.000 2.337 627 Q HA 0.768 5.108 4.340 -0.000 0.000 0.266 627 Q C -1.487 174.809 176.000 0.493 0.000 1.023 627 Q CA -0.504 55.496 55.803 0.329 0.000 0.829 627 Q CB 2.600 31.498 28.738 0.268 0.000 1.306 627 Q HN 0.730 nan 8.270 nan 0.000 0.449 628 F N -0.758 119.338 119.950 0.243 0.000 2.631 628 F HA 0.566 5.093 4.527 -0.000 0.000 0.308 628 F C -1.700 173.808 175.800 -0.486 0.000 1.097 628 F CA -1.408 56.513 58.000 -0.132 0.000 0.952 628 F CB 0.914 39.826 39.000 -0.147 0.000 1.307 628 F HN 0.466 nan 8.300 nan 0.000 0.450 629 Y N 2.586 122.274 120.300 -1.020 0.000 2.387 629 Y HA 0.758 5.308 4.550 -0.000 0.000 0.330 629 Y C -1.768 173.738 175.900 -0.656 0.000 1.133 629 Y CA -1.230 56.159 58.100 -1.185 0.000 1.152 629 Y CB 1.459 38.941 38.460 -1.629 0.000 1.215 629 Y HN 0.735 nan 8.280 nan 0.000 0.466 630 L N 8.484 128.759 121.223 -1.580 0.000 2.349 630 L HA 0.563 4.903 4.340 -0.000 0.000 0.278 630 L C -2.361 173.625 176.870 -1.473 0.000 0.996 630 L CA -2.844 51.160 54.840 -1.393 0.000 0.825 630 L CB 1.500 42.905 42.059 -1.090 0.000 1.243 630 L HN 0.599 nan 8.230 nan 0.000 0.412 631 P HA 0.046 nan 4.420 nan 0.000 0.274 631 P C -0.478 176.793 177.300 -0.048 0.000 1.264 631 P CA -0.452 62.363 63.100 -0.474 0.000 0.795 631 P CB 0.400 31.485 31.700 -1.026 0.000 1.064 632 E N 0.462 120.688 120.200 0.043 0.000 2.442 632 E HA 0.282 4.631 4.350 -0.000 0.000 0.262 632 E C 0.126 176.816 176.600 0.151 0.000 1.004 632 E CA 0.497 56.964 56.400 0.111 0.000 0.928 632 E CB -0.424 29.334 29.700 0.097 0.000 0.937 632 E HN 0.675 nan 8.360 nan 0.000 0.446 633 G N 2.737 111.596 108.800 0.097 0.000 2.440 633 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.684 633 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.684 633 G C -1.086 173.843 174.900 0.048 0.000 1.309 633 G CA -0.386 44.704 45.100 -0.016 0.000 0.931 633 G HN 0.683 nan 8.290 nan 0.000 0.612 634 R N -0.156 120.324 120.500 -0.033 0.000 2.207 634 R HA 0.558 4.898 4.340 -0.000 0.000 0.334 634 R C -0.496 175.797 176.300 -0.013 0.000 1.013 634 R CA -0.677 55.458 56.100 0.058 0.000 0.858 634 R CB 0.407 30.735 30.300 0.048 0.000 1.094 634 R HN 0.477 nan 8.270 nan 0.000 0.457 635 W N 2.195 123.486 121.300 -0.014 0.000 2.359 635 W HA 0.383 5.043 4.660 -0.000 0.000 0.344 635 W C -0.039 176.579 176.519 0.166 0.000 1.170 635 W CA -0.235 57.128 57.345 0.030 0.000 1.296 635 W CB 1.607 31.037 29.460 -0.051 0.000 1.197 635 W HN 0.334 nan 8.180 nan 0.000 0.618 636 T N 1.326 116.137 114.554 0.428 0.000 2.886 636 T HA 0.096 4.446 4.350 -0.000 0.000 0.292 636 T C -0.887 173.933 174.700 0.200 0.000 1.012 636 T CA -0.664 61.668 62.100 0.387 0.000 0.982 636 T CB 1.065 70.199 68.868 0.445 0.000 1.018 636 T HN 0.281 nan 8.240 nan 0.000 0.451 637 H N 3.269 122.306 119.070 -0.055 0.000 2.848 637 H HA 0.095 4.651 4.556 -0.000 0.000 0.317 637 H C 0.962 176.086 175.328 -0.340 0.000 1.046 637 H CA -0.439 55.227 56.048 -0.637 0.000 1.470 637 H CB 0.883 30.218 29.762 -0.711 0.000 1.483 637 H HN 0.494 nan 8.280 nan 0.000 0.548 638 L N 6.185 127.020 121.223 -0.646 0.000 2.137 638 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 638 L C 1.566 178.526 176.870 0.150 0.000 1.085 638 L CA 2.342 57.068 54.840 -0.190 0.000 0.760 638 L CB -0.475 41.493 42.059 -0.150 0.000 0.893 638 L HN 0.850 nan 8.230 nan 0.000 0.434 639 W N -5.028 116.346 121.300 0.123 0.000 2.701 639 W HA 0.258 4.918 4.660 -0.000 0.000 0.254 639 W C 1.824 178.354 176.519 0.018 0.000 1.017 639 W CA -0.003 57.370 57.345 0.046 0.000 1.326 639 W CB -0.662 28.795 29.460 -0.005 0.000 0.881 639 W HN -0.068 nan 8.180 nan 0.000 0.647 640 H N 1.177 120.114 119.070 -0.222 0.000 2.495 640 H HA 0.013 4.569 4.556 -0.000 0.000 0.287 640 H C 0.817 176.126 175.328 -0.032 0.000 1.033 640 H CA 1.353 57.260 56.048 -0.236 0.000 1.307 640 H CB -0.344 29.052 29.762 -0.611 0.000 1.401 640 H HN 0.238 nan 8.280 nan 0.000 0.555 641 N N 0.878 119.663 118.700 0.141 0.000 2.936 641 N HA -0.164 4.576 4.740 -0.000 0.000 0.236 641 N C -0.642 174.976 175.510 0.179 0.000 0.930 641 N CA 1.037 54.192 53.050 0.175 0.000 0.966 641 N CB -1.015 37.561 38.487 0.149 0.000 1.090 641 N HN 0.674 nan 8.380 nan 0.000 0.592 642 D N 0.107 120.614 120.400 0.179 0.000 2.362 642 D HA 0.136 4.776 4.640 -0.000 0.000 0.242 642 D C -0.177 176.288 176.300 0.275 0.000 1.132 642 D CA 0.278 54.386 54.000 0.181 0.000 0.907 642 D CB 0.892 41.777 40.800 0.142 0.000 1.195 642 D HN 0.314 nan 8.370 nan 0.000 0.429 643 E N 0.256 120.582 120.200 0.209 0.000 2.195 643 E HA 0.582 4.932 4.350 -0.000 0.000 0.271 643 E C -0.631 176.045 176.600 0.127 0.000 0.923 643 E CA -0.845 55.681 56.400 0.210 0.000 0.790 643 E CB 2.292 32.087 29.700 0.158 0.000 1.155 643 E HN 0.353 nan 8.360 nan 0.000 0.402 644 L N 1.550 122.822 121.223 0.081 0.000 2.388 644 L HA 0.419 4.759 4.340 -0.000 0.000 0.264 644 L C -0.703 176.206 176.870 0.064 0.000 0.998 644 L CA -1.142 53.667 54.840 -0.052 0.000 0.817 644 L CB 2.023 43.787 42.059 -0.492 0.000 1.338 644 L HN 0.389 nan 8.230 nan 0.000 0.414 645 D N 1.316 121.781 120.400 0.108 0.000 2.256 645 D HA 0.347 4.987 4.640 -0.000 0.000 0.250 645 D C 0.214 176.602 176.300 0.147 0.000 1.093 645 D CA 0.052 54.130 54.000 0.131 0.000 0.882 645 D CB 2.185 43.038 40.800 0.090 0.000 1.185 645 D HN 0.667 nan 8.370 nan 0.000 0.437 646 G N -0.310 108.570 108.800 0.134 0.000 2.508 646 G HA2 0.274 4.234 3.960 -0.000 0.000 0.278 646 G HA3 0.274 4.234 3.960 -0.000 0.000 0.278 646 G C 0.302 175.145 174.900 -0.094 0.000 1.389 646 G CA -0.365 44.736 45.100 0.001 0.000 1.050 646 G HN 0.462 nan 8.290 nan 0.000 0.522 647 S N -1.750 113.830 115.700 -0.200 0.000 3.476 647 S HA -0.177 4.293 4.470 -0.000 0.000 0.309 647 S C 0.403 174.976 174.600 -0.044 0.000 1.222 647 S CA 1.762 59.921 58.200 -0.068 0.000 0.922 647 S CB -1.248 61.973 63.200 0.034 0.000 1.023 647 S HN 1.141 nan 8.310 nan 0.000 0.591 648 R N -1.844 118.461 120.500 -0.325 0.000 2.716 648 R HA 0.551 4.891 4.340 -0.000 0.000 0.271 648 R C -1.357 174.698 176.300 -0.409 0.000 1.028 648 R CA -1.097 54.891 56.100 -0.186 0.000 0.883 648 R CB 0.345 30.511 30.300 -0.223 0.000 1.250 648 R HN 0.116 nan 8.270 nan 0.000 0.465 649 W N 0.978 122.106 121.300 -0.286 0.000 2.215 649 W HA 0.433 5.093 4.660 -0.000 0.000 0.342 649 W C 0.505 176.602 176.519 -0.703 0.000 1.237 649 W CA 0.605 57.742 57.345 -0.347 0.000 1.283 649 W CB 0.762 30.122 29.460 -0.167 0.000 1.131 649 W HN 0.330 nan 8.180 nan 0.000 0.606 650 H N 0.893 119.745 119.070 -0.364 0.000 2.985 650 H HA 0.388 4.944 4.556 -0.000 0.000 0.360 650 H C -1.263 173.802 175.328 -0.439 0.000 1.221 650 H CA -1.162 54.586 56.048 -0.499 0.000 1.121 650 H CB 2.581 31.800 29.762 -0.904 0.000 1.854 650 H HN 0.256 nan 8.280 nan 0.000 0.551 651 K N 1.642 121.995 120.400 -0.078 0.000 2.482 651 K HA 0.384 4.704 4.320 -0.000 0.000 0.251 651 K C -1.366 175.293 176.600 0.097 0.000 0.936 651 K CA -0.370 55.931 56.287 0.024 0.000 0.791 651 K CB 2.155 34.663 32.500 0.012 0.000 1.213 651 K HN 0.625 nan 8.250 nan 0.000 0.428 652 Q N 1.678 121.596 119.800 0.196 0.000 2.565 652 Q HA 0.268 4.608 4.340 -0.000 0.000 0.294 652 Q C -1.790 174.312 176.000 0.170 0.000 1.005 652 Q CA -0.995 54.926 55.803 0.197 0.000 0.771 652 Q CB 3.037 32.019 28.738 0.406 0.000 1.486 652 Q HN 0.581 nan 8.270 nan 0.000 0.422 653 Q N 0.925 120.745 119.800 0.033 0.000 2.323 653 Q HA 0.380 4.719 4.340 -0.000 0.000 0.271 653 Q C -1.693 174.247 176.000 -0.101 0.000 1.048 653 Q CA -0.395 55.424 55.803 0.026 0.000 0.792 653 Q CB 1.449 30.173 28.738 -0.023 0.000 1.280 653 Q HN 0.632 nan 8.270 nan 0.000 0.441 654 H N 1.753 120.794 119.070 -0.049 0.000 2.637 654 H HA 0.379 4.935 4.556 -0.000 0.000 0.363 654 H C -0.002 175.239 175.328 -0.146 0.000 1.131 654 H CA -0.558 55.453 56.048 -0.061 0.000 1.183 654 H CB 2.094 31.860 29.762 0.006 0.000 1.637 654 H HN 0.895 nan 8.280 nan 0.000 0.531 655 G N 0.526 109.304 108.800 -0.036 0.000 2.683 655 G HA2 0.030 3.990 3.960 -0.000 0.000 0.260 655 G HA3 0.030 3.990 3.960 -0.000 0.000 0.260 655 G C 0.248 175.099 174.900 -0.082 0.000 1.238 655 G CA -0.273 44.739 45.100 -0.146 0.000 0.934 655 G HN 0.492 nan 8.290 nan 0.000 0.534 656 F N -1.242 118.823 119.950 0.192 0.000 2.558 656 F HA 0.113 4.640 4.527 -0.000 0.000 0.298 656 F C 2.125 178.101 175.800 0.294 0.000 1.119 656 F CA 0.101 58.241 58.000 0.233 0.000 1.451 656 F CB 0.048 39.181 39.000 0.221 0.000 1.091 656 F HN 0.057 nan 8.300 nan 0.000 0.563 657 L N -1.110 120.301 121.223 0.314 0.000 2.627 657 L HA 0.197 4.537 4.340 -0.000 0.000 0.232 657 L C 0.582 177.594 176.870 0.236 0.000 1.150 657 L CA 0.169 55.037 54.840 0.047 0.000 0.917 657 L CB -1.119 40.751 42.059 -0.314 0.000 1.104 657 L HN -0.023 nan 8.230 nan 0.000 0.445 658 S N -0.414 115.607 115.700 0.535 0.000 2.618 658 S HA 0.900 5.370 4.470 -0.000 0.000 0.277 658 S C -1.100 173.769 174.600 0.448 0.000 1.138 658 S CA -0.590 58.041 58.200 0.719 0.000 0.844 658 S CB 1.373 64.990 63.200 0.695 0.000 1.127 658 S HN 0.117 nan 8.310 nan 0.000 0.474 659 L N -0.937 120.400 121.223 0.191 0.000 2.940 659 L HA 0.710 5.050 4.340 -0.000 0.000 0.270 659 L C -3.181 173.400 176.870 -0.481 0.000 1.030 659 L CA -2.370 52.201 54.840 -0.447 0.000 0.928 659 L CB 1.468 43.431 42.059 -0.160 0.000 1.506 659 L HN 0.343 nan 8.230 nan 0.000 0.405 660 P HA 0.233 nan 4.420 nan 0.000 0.269 660 P C -0.954 176.077 177.300 -0.448 0.000 1.252 660 P CA 0.075 62.921 63.100 -0.424 0.000 0.780 660 P CB 0.822 31.925 31.700 -0.994 0.000 0.829 661 V N 5.759 125.247 119.914 -0.710 0.000 2.443 661 V HA 0.290 4.410 4.120 -0.000 0.000 0.272 661 V C -0.809 174.663 176.094 -1.037 0.000 1.002 661 V CA -0.544 61.350 62.300 -0.678 0.000 0.840 661 V CB 0.081 31.635 31.823 -0.448 0.000 1.042 661 V HN 0.375 nan 8.190 nan 0.000 0.446 662 Y N 2.236 122.283 120.300 -0.422 0.000 2.409 662 Y HA 0.692 5.242 4.550 -0.000 0.000 0.339 662 Y C 0.149 176.062 175.900 0.021 0.000 1.033 662 Y CA -0.849 57.135 58.100 -0.193 0.000 1.094 662 Y CB 2.295 40.694 38.460 -0.102 0.000 1.210 662 Y HN 0.356 nan 8.280 nan 0.000 0.456 663 V N 4.456 124.383 119.914 0.023 0.000 2.398 663 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 663 V C 0.117 175.996 176.094 -0.359 0.000 1.026 663 V CA -1.411 60.697 62.300 -0.320 0.000 0.868 663 V CB 1.194 32.359 31.823 -1.097 0.000 0.982 663 V HN 0.729 nan 8.190 nan 0.000 0.443 664 R N 2.341 122.456 120.500 -0.642 0.000 2.817 664 R HA 0.085 4.425 4.340 -0.000 0.000 0.264 664 R C 0.040 175.981 176.300 -0.598 0.000 1.009 664 R CA -0.117 55.331 56.100 -1.086 0.000 1.133 664 R CB 0.260 30.141 30.300 -0.698 0.000 1.013 664 R HN 0.935 nan 8.270 nan 0.000 0.453 665 D N 0.642 120.701 120.400 -0.569 0.000 2.383 665 D HA -0.032 4.608 4.640 -0.000 0.000 0.248 665 D C -0.174 175.989 176.300 -0.228 0.000 1.170 665 D CA -0.545 53.288 54.000 -0.279 0.000 0.977 665 D CB 0.276 40.929 40.800 -0.246 0.000 1.120 665 D HN 0.465 nan 8.370 nan 0.000 0.481 666 N N -1.070 117.536 118.700 -0.156 0.000 2.738 666 N HA -0.144 4.596 4.740 -0.000 0.000 0.249 666 N C -0.978 174.496 175.510 -0.060 0.000 1.047 666 N CA 0.932 53.897 53.050 -0.141 0.000 0.707 666 N CB -1.537 36.778 38.487 -0.287 0.000 0.937 666 N HN 0.547 nan 8.380 nan 0.000 0.545 667 T N 0.793 115.361 114.554 0.023 0.000 2.861 667 T HA 0.553 4.903 4.350 -0.000 0.000 0.287 667 T C -0.227 174.589 174.700 0.195 0.000 1.003 667 T CA -0.559 61.581 62.100 0.068 0.000 0.977 667 T CB 2.377 71.234 68.868 -0.019 0.000 0.996 667 T HN 0.149 nan 8.240 nan 0.000 0.448 668 L N 4.287 125.604 121.223 0.157 0.000 2.342 668 L HA 0.696 5.036 4.340 -0.000 0.000 0.276 668 L C -1.477 175.547 176.870 0.256 0.000 0.997 668 L CA -0.808 54.157 54.840 0.209 0.000 0.838 668 L CB 1.036 43.163 42.059 0.114 0.000 1.224 668 L HN 0.527 nan 8.230 nan 0.000 0.416 669 L N 4.748 126.174 121.223 0.339 0.000 2.317 669 L HA 0.882 5.222 4.340 -0.000 0.000 0.281 669 L C -0.293 176.744 176.870 0.278 0.000 1.024 669 L CA -0.224 54.766 54.840 0.251 0.000 0.810 669 L CB 1.737 43.918 42.059 0.203 0.000 1.240 669 L HN 0.719 nan 8.230 nan 0.000 0.427 670 A N 5.131 128.046 122.820 0.158 0.000 2.276 670 A HA 0.704 5.024 4.320 -0.000 0.000 0.316 670 A C -1.186 176.397 177.584 -0.002 0.000 1.229 670 A CA -0.420 51.576 52.037 -0.068 0.000 0.851 670 A CB 0.384 19.277 19.000 -0.179 0.000 1.165 670 A HN 0.545 nan 8.150 nan 0.000 0.513 671 L N 2.054 123.287 121.223 0.017 0.000 2.334 671 L HA 0.723 5.063 4.340 -0.000 0.000 0.273 671 L C 0.912 177.827 176.870 0.075 0.000 1.013 671 L CA 0.094 54.980 54.840 0.076 0.000 0.816 671 L CB 1.785 43.928 42.059 0.141 0.000 1.278 671 L HN 0.809 nan 8.230 nan 0.000 0.431 672 G N 0.556 109.457 108.800 0.169 0.000 2.511 672 G HA2 0.320 4.280 3.960 -0.000 0.000 0.316 672 G HA3 0.320 4.280 3.960 -0.000 0.000 0.316 672 G C 0.299 175.291 174.900 0.154 0.000 1.210 672 G CA -0.367 44.909 45.100 0.294 0.000 0.969 672 G HN 0.716 nan 8.290 nan 0.000 0.492 673 N N -0.555 118.210 118.700 0.108 0.000 2.235 673 N HA 0.019 4.759 4.740 -0.000 0.000 0.209 673 N C -0.255 175.127 175.510 -0.212 0.000 1.122 673 N CA -0.388 52.641 53.050 -0.035 0.000 0.845 673 N CB 0.350 38.839 38.487 0.004 0.000 1.004 673 N HN 0.308 nan 8.380 nan 0.000 0.499 674 N N 1.131 119.541 118.700 -0.485 0.000 2.399 674 N HA 0.096 4.836 4.740 -0.000 0.000 0.284 674 N C -1.123 174.149 175.510 -0.397 0.000 1.025 674 N CA -0.301 52.371 53.050 -0.630 0.000 0.885 674 N CB 1.584 39.266 38.487 -1.342 0.000 1.339 674 N HN 0.165 nan 8.380 nan 0.000 0.487 675 D N 1.810 122.091 120.400 -0.198 0.000 2.462 675 D HA 0.096 4.736 4.640 -0.000 0.000 0.221 675 D C 0.234 176.516 176.300 -0.031 0.000 1.173 675 D CA 0.233 54.174 54.000 -0.098 0.000 0.831 675 D CB 0.532 41.269 40.800 -0.104 0.000 1.001 675 D HN 0.323 nan 8.370 nan 0.000 0.499 676 Q N 0.341 120.125 119.800 -0.028 0.000 2.316 676 Q HA 0.193 4.533 4.340 -0.000 0.000 0.235 676 Q C 0.388 176.522 176.000 0.223 0.000 0.863 676 Q CA 0.389 56.234 55.803 0.071 0.000 0.939 676 Q CB 1.574 30.324 28.738 0.020 0.000 1.108 676 Q HN 0.527 nan 8.270 nan 0.000 0.522 677 R N -0.861 119.719 120.500 0.132 0.000 2.680 677 R HA 0.382 4.722 4.340 -0.000 0.000 0.269 677 R C -2.621 173.777 176.300 0.164 0.000 1.026 677 R CA -1.344 54.827 56.100 0.119 0.000 0.889 677 R CB 1.153 31.555 30.300 0.169 0.000 1.241 677 R HN -0.309 nan 8.270 nan 0.000 0.463 678 P HA -0.040 nan 4.420 nan 0.000 0.224 678 P C -0.636 176.910 177.300 0.410 0.000 1.157 678 P CA 0.907 64.163 63.100 0.261 0.000 0.799 678 P CB 0.034 31.819 31.700 0.141 0.000 0.809 679 D N 0.814 121.389 120.400 0.291 0.000 2.467 679 D HA 0.207 4.847 4.640 -0.000 0.000 0.220 679 D C -0.092 176.221 176.300 0.022 0.000 1.103 679 D CA -0.818 53.237 54.000 0.092 0.000 0.886 679 D CB -0.093 40.766 40.800 0.098 0.000 1.025 679 D HN 0.267 nan 8.370 nan 0.000 0.514 680 Y N -1.357 118.710 120.300 -0.387 0.000 2.744 680 Y HA 0.497 5.047 4.550 -0.000 0.000 0.330 680 Y C -1.226 174.217 175.900 -0.762 0.000 1.263 680 Y CA -1.812 56.052 58.100 -0.393 0.000 1.065 680 Y CB 0.925 39.300 38.460 -0.141 0.000 1.306 680 Y HN -0.006 nan 8.280 nan 0.000 0.459 681 V N 3.792 123.546 119.914 -0.265 0.000 2.370 681 V HA 0.050 4.170 4.120 -0.000 0.000 0.257 681 V C -0.116 175.870 176.094 -0.181 0.000 1.064 681 V CA -0.347 61.739 62.300 -0.356 0.000 0.975 681 V CB -0.392 31.278 31.823 -0.255 0.000 1.067 681 V HN 0.838 nan 8.190 nan 0.000 0.485 682 W N 4.819 126.054 121.300 -0.109 0.000 2.402 682 W HA -0.076 4.584 4.660 -0.000 0.000 0.286 682 W C 2.088 178.624 176.519 0.028 0.000 1.221 682 W CA 1.370 58.633 57.345 -0.137 0.000 1.257 682 W CB -0.716 28.624 29.460 -0.199 0.000 1.120 682 W HN 0.977 nan 8.180 nan 0.000 0.551 683 H N -0.692 118.463 119.070 0.143 0.000 2.539 683 H HA 0.245 4.801 4.556 -0.000 0.000 0.267 683 H C -0.629 174.717 175.328 0.030 0.000 0.982 683 H CA 0.407 56.493 56.048 0.063 0.000 1.146 683 H CB -0.543 29.242 29.762 0.039 0.000 1.382 683 H HN 0.107 nan 8.280 nan 0.000 0.577 684 E N 0.282 120.374 120.200 -0.180 0.000 2.155 684 E HA 0.415 4.765 4.350 -0.000 0.000 0.264 684 E C 0.105 176.713 176.600 0.014 0.000 0.886 684 E CA -0.268 56.058 56.400 -0.124 0.000 0.752 684 E CB 1.527 31.090 29.700 -0.228 0.000 1.133 684 E HN 0.502 nan 8.360 nan 0.000 0.414 685 G N 2.950 111.791 108.800 0.068 0.000 2.157 685 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.239 685 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.239 685 G C 0.410 175.372 174.900 0.104 0.000 0.982 685 G CA 0.023 45.173 45.100 0.083 0.000 0.650 685 G HN 0.512 nan 8.290 nan 0.000 0.527 686 T N 1.054 115.667 114.554 0.098 0.000 2.905 686 T HA 0.422 4.772 4.350 -0.000 0.000 0.299 686 T C 0.610 175.301 174.700 -0.016 0.000 1.024 686 T CA 0.890 62.961 62.100 -0.048 0.000 1.151 686 T CB 1.470 70.187 68.868 -0.252 0.000 0.987 686 T HN 1.568 nan 8.240 nan 0.000 0.535 687 A N 3.899 126.670 122.820 -0.082 0.000 2.277 687 A HA 0.649 4.969 4.320 -0.000 0.000 0.318 687 A C -0.311 177.206 177.584 -0.112 0.000 1.339 687 A CA -0.774 51.259 52.037 -0.007 0.000 0.875 687 A CB 0.025 19.069 19.000 0.074 0.000 1.158 687 A HN 0.686 nan 8.150 nan 0.000 0.514 688 F N 1.844 121.816 119.950 0.036 0.000 2.382 688 F HA 0.386 4.913 4.527 -0.000 0.000 0.331 688 F C 1.036 176.714 175.800 -0.204 0.000 1.121 688 F CA 0.698 58.714 58.000 0.027 0.000 1.183 688 F CB 0.936 39.965 39.000 0.048 0.000 1.207 688 F HN 0.491 nan 8.300 nan 0.000 0.555 689 H N 2.966 122.180 119.070 0.240 0.000 2.782 689 H HA 0.317 4.873 4.556 -0.000 0.000 0.347 689 H C -1.405 173.890 175.328 -0.055 0.000 1.038 689 H CA -0.871 55.177 56.048 0.000 0.000 1.255 689 H CB 2.313 32.029 29.762 -0.077 0.000 1.623 689 H HN 0.384 nan 8.280 nan 0.000 0.525 690 L N 3.882 125.044 121.223 -0.102 0.000 2.282 690 L HA 0.401 4.741 4.340 -0.000 0.000 0.288 690 L C -1.405 175.328 176.870 -0.228 0.000 1.033 690 L CA -0.211 54.605 54.840 -0.040 0.000 0.807 690 L CB 0.143 42.192 42.059 -0.017 0.000 1.209 690 L HN 0.335 nan 8.230 nan 0.000 0.423 691 F N 4.123 124.091 119.950 0.031 0.000 2.402 691 F HA 0.395 4.921 4.527 -0.000 0.000 0.355 691 F C 0.943 176.720 175.800 -0.039 0.000 1.123 691 F CA -0.664 57.336 58.000 -0.000 0.000 1.021 691 F CB 0.725 39.706 39.000 -0.032 0.000 1.160 691 F HN 0.631 nan 8.300 nan 0.000 0.451 692 N N 2.926 121.689 118.700 0.105 0.000 2.700 692 N HA -0.248 4.492 4.740 -0.000 0.000 0.265 692 N C -0.612 174.898 175.510 -0.000 0.000 0.975 692 N CA -0.158 52.917 53.050 0.042 0.000 0.800 692 N CB -0.431 38.076 38.487 0.034 0.000 0.908 692 N HN 0.513 nan 8.380 nan 0.000 0.551 693 L N 1.400 122.629 121.223 0.010 0.000 2.500 693 L HA 0.024 4.364 4.340 -0.000 0.000 0.272 693 L C 0.727 177.612 176.870 0.025 0.000 1.149 693 L CA 0.438 55.281 54.840 0.005 0.000 0.897 693 L CB 0.378 42.452 42.059 0.025 0.000 1.178 693 L HN 0.343 nan 8.230 nan 0.000 0.473 694 Q N 2.490 122.308 119.800 0.031 0.000 2.260 694 Q HA 0.100 4.440 4.340 -0.000 0.000 0.238 694 Q C -0.503 175.608 176.000 0.185 0.000 0.948 694 Q CA -0.759 55.114 55.803 0.116 0.000 0.895 694 Q CB 1.371 30.205 28.738 0.160 0.000 1.218 694 Q HN 0.502 nan 8.270 nan 0.000 0.470 695 D N 0.104 120.576 120.400 0.120 0.000 2.520 695 D HA 0.066 4.706 4.640 -0.000 0.000 0.243 695 D C 0.617 176.941 176.300 0.040 0.000 1.160 695 D CA 1.884 55.926 54.000 0.070 0.000 0.877 695 D CB 0.069 40.894 40.800 0.041 0.000 1.150 695 D HN 0.708 nan 8.370 nan 0.000 0.494 696 G N 2.592 111.387 108.800 -0.008 0.000 2.131 696 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.223 696 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.223 696 G C 0.036 174.805 174.900 -0.218 0.000 0.990 696 G CA 0.214 45.248 45.100 -0.110 0.000 0.671 696 G HN 0.750 nan 8.290 nan 0.000 0.521 697 H N -0.572 118.494 119.070 -0.006 0.000 2.797 697 H HA 0.701 5.257 4.556 -0.000 0.000 0.372 697 H C -0.536 174.785 175.328 -0.012 0.000 1.168 697 H CA -0.566 55.477 56.048 -0.008 0.000 1.163 697 H CB 1.930 31.688 29.762 -0.007 0.000 1.778 697 H HN 0.214 nan 8.280 nan 0.000 0.551 698 E N 1.213 121.504 120.200 0.151 0.000 2.234 698 E HA 0.636 4.986 4.350 -0.000 0.000 0.266 698 E C -1.551 175.078 176.600 0.048 0.000 0.877 698 E CA -1.148 55.291 56.400 0.065 0.000 0.758 698 E CB 1.292 31.008 29.700 0.025 0.000 1.170 698 E HN 0.666 nan 8.360 nan 0.000 0.415 699 A N 4.007 126.839 122.820 0.021 0.000 2.258 699 A HA 0.522 4.842 4.320 -0.000 0.000 0.316 699 A C -0.827 176.751 177.584 -0.011 0.000 1.279 699 A CA -0.589 51.454 52.037 0.009 0.000 0.876 699 A CB 0.785 19.798 19.000 0.021 0.000 1.170 699 A HN 0.361 nan 8.150 nan 0.000 0.520 700 V N 1.461 121.368 119.914 -0.011 0.000 2.483 700 V HA 0.496 4.616 4.120 -0.000 0.000 0.295 700 V C -0.025 176.069 176.094 0.000 0.000 1.035 700 V CA -0.758 61.522 62.300 -0.033 0.000 0.896 700 V CB 1.204 33.001 31.823 -0.044 0.000 0.986 700 V HN 0.961 nan 8.190 nan 0.000 0.447 701 C N 4.748 124.042 119.300 -0.010 0.000 2.340 701 C HA 0.596 5.056 4.460 -0.000 0.000 0.323 701 C C -0.116 174.897 174.990 0.039 0.000 1.260 701 C CA -0.363 58.701 59.018 0.075 0.000 1.464 701 C CB 0.170 28.032 27.740 0.203 0.000 2.156 701 C HN 1.009 nan 8.230 nan 0.000 0.476 702 E N 4.469 124.704 120.200 0.058 0.000 2.113 702 E HA 0.397 4.747 4.350 -0.000 0.000 0.273 702 E C -0.845 175.816 176.600 0.101 0.000 0.924 702 E CA -0.441 55.984 56.400 0.042 0.000 0.764 702 E CB 1.767 31.466 29.700 -0.000 0.000 1.104 702 E HN 0.551 nan 8.360 nan 0.000 0.406 703 V N 5.889 125.908 119.914 0.175 0.000 2.432 703 V HA 0.213 4.333 4.120 -0.000 0.000 0.271 703 V C -1.781 174.412 176.094 0.165 0.000 1.046 703 V CA -1.644 60.776 62.300 0.200 0.000 0.945 703 V CB 0.698 32.723 31.823 0.338 0.000 0.992 703 V HN 0.585 nan 8.190 nan 0.000 0.471 704 P HA 0.389 nan 4.420 nan 0.000 0.277 704 P C -0.580 176.920 177.300 0.334 0.000 1.240 704 P CA -0.253 62.962 63.100 0.192 0.000 0.798 704 P CB 1.488 33.284 31.700 0.160 0.000 0.979 705 A N 1.885 124.855 122.820 0.250 0.000 2.242 705 A HA 0.560 4.880 4.320 -0.000 0.000 0.304 705 A C 1.699 179.477 177.584 0.324 0.000 1.100 705 A CA 0.030 52.182 52.037 0.192 0.000 0.860 705 A CB -0.228 18.803 19.000 0.052 0.000 1.168 705 A HN 0.497 nan 8.150 nan 0.000 0.503 706 A N -0.051 122.831 122.820 0.102 0.000 2.032 706 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 706 A C 1.221 178.956 177.584 0.251 0.000 1.165 706 A CA 2.304 54.375 52.037 0.056 0.000 0.645 706 A CB -0.677 18.256 19.000 -0.110 0.000 0.807 706 A HN 0.872 nan 8.150 nan 0.000 0.453 707 D N -2.884 117.645 120.400 0.216 0.000 2.342 707 D HA 0.321 4.961 4.640 -0.000 0.000 0.221 707 D C 1.106 177.532 176.300 0.210 0.000 1.101 707 D CA 0.753 54.873 54.000 0.200 0.000 0.837 707 D CB -0.537 40.329 40.800 0.111 0.000 0.938 707 D HN 0.735 nan 8.370 nan 0.000 0.508 708 G N 0.353 109.338 108.800 0.308 0.000 2.205 708 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.261 708 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.261 708 G C 0.485 175.433 174.900 0.081 0.000 0.980 708 G CA 0.509 45.706 45.100 0.162 0.000 0.632 708 G HN 0.831 nan 8.290 nan 0.000 0.533 709 S N -0.504 115.248 115.700 0.086 0.000 2.603 709 S HA 0.606 5.076 4.470 -0.000 0.000 0.268 709 S C 0.507 175.139 174.600 0.054 0.000 1.317 709 S CA -0.181 58.048 58.200 0.047 0.000 1.012 709 S CB 2.110 65.332 63.200 0.037 0.000 0.926 709 S HN 1.088 nan 8.310 nan 0.000 0.539 710 V N 2.851 122.783 119.914 0.031 0.000 2.479 710 V HA 0.106 4.226 4.120 -0.000 0.000 0.281 710 V C 1.179 177.296 176.094 0.039 0.000 1.031 710 V CA 0.056 62.378 62.300 0.036 0.000 1.038 710 V CB 0.016 31.844 31.823 0.009 0.000 0.981 710 V HN 0.954 nan 8.190 nan 0.000 0.478 711 I N 4.368 124.968 120.570 0.050 0.000 3.228 711 I HA 0.274 4.444 4.170 -0.000 0.000 0.279 711 I C 0.130 176.344 176.117 0.162 0.000 1.221 711 I CA 0.736 62.046 61.300 0.017 0.000 1.458 711 I CB 0.374 38.267 38.000 -0.178 0.000 1.105 711 I HN 0.563 nan 8.210 nan 0.000 0.445 712 F N -0.228 119.711 119.950 -0.018 0.000 2.623 712 F HA 0.385 4.912 4.527 -0.000 0.000 0.323 712 F C -1.054 174.742 175.800 -0.008 0.000 1.158 712 F CA -0.554 57.445 58.000 -0.002 0.000 1.030 712 F CB 1.244 40.267 39.000 0.039 0.000 1.280 712 F HN -0.399 nan 8.300 nan 0.000 0.474 713 T N 6.826 120.973 114.554 -0.679 0.000 2.807 713 T HA 0.561 4.910 4.350 -0.000 0.000 0.279 713 T C -1.315 172.845 174.700 -0.900 0.000 0.993 713 T CA -0.580 61.187 62.100 -0.555 0.000 0.970 713 T CB 1.481 70.162 68.868 -0.310 0.000 0.950 713 T HN 0.542 nan 8.240 nan 0.000 0.441 714 L N 3.947 124.768 121.223 -0.671 0.000 2.376 714 L HA 0.561 4.901 4.340 -0.000 0.000 0.275 714 L C -0.730 175.909 176.870 -0.386 0.000 0.987 714 L CA -0.728 53.693 54.840 -0.697 0.000 0.828 714 L CB 1.385 42.848 42.059 -0.994 0.000 1.249 714 L HN 0.590 nan 8.230 nan 0.000 0.409 715 K N 3.882 124.110 120.400 -0.286 0.000 2.259 715 K HA 0.792 5.112 4.320 -0.000 0.000 0.249 715 K C -0.936 175.595 176.600 -0.116 0.000 0.942 715 K CA -0.770 55.419 56.287 -0.163 0.000 0.816 715 K CB 2.746 35.172 32.500 -0.124 0.000 1.155 715 K HN 0.571 nan 8.250 nan 0.000 0.428 716 A N 1.370 124.149 122.820 -0.068 0.000 2.457 716 A HA 0.632 4.952 4.320 -0.000 0.000 0.283 716 A C -1.054 176.525 177.584 -0.008 0.000 1.166 716 A CA -0.669 51.348 52.037 -0.033 0.000 0.740 716 A CB 1.131 20.117 19.000 -0.023 0.000 1.181 716 A HN 0.729 nan 8.150 nan 0.000 0.446 717 A N 2.558 125.375 122.820 -0.004 0.000 2.304 717 A HA 0.767 5.087 4.320 -0.000 0.000 0.323 717 A C 0.122 177.716 177.584 0.016 0.000 1.195 717 A CA -0.622 51.420 52.037 0.009 0.000 0.826 717 A CB 0.622 19.621 19.000 -0.003 0.000 1.184 717 A HN 0.837 nan 8.150 nan 0.000 0.496 718 R N 1.780 122.299 120.500 0.031 0.000 2.265 718 R HA 0.430 4.770 4.340 -0.000 0.000 0.328 718 R C 0.361 176.673 176.300 0.020 0.000 0.969 718 R CA 0.414 56.532 56.100 0.030 0.000 0.832 718 R CB 1.090 31.417 30.300 0.045 0.000 1.139 718 R HN 0.792 nan 8.270 nan 0.000 0.457 719 T N 0.668 115.229 114.554 0.011 0.000 3.003 719 T HA 0.305 4.655 4.350 -0.000 0.000 0.261 719 T C 0.686 175.387 174.700 0.001 0.000 1.003 719 T CA 0.731 62.831 62.100 0.001 0.000 0.917 719 T CB 0.623 69.490 68.868 -0.002 0.000 1.084 719 T HN 0.691 nan 8.240 nan 0.000 0.522 720 G N 0.476 109.280 108.800 0.007 0.000 4.234 720 G HA2 0.159 4.119 3.960 -0.000 0.000 0.206 720 G HA3 0.159 4.119 3.960 -0.000 0.000 0.206 720 G C 0.473 175.380 174.900 0.012 0.000 1.204 720 G CA 0.257 45.361 45.100 0.008 0.000 0.998 720 G HN 0.296 nan 8.290 nan 0.000 0.417 721 N N -0.129 118.578 118.700 0.012 0.000 1.872 721 N HA 0.191 4.931 4.740 -0.000 0.000 0.223 721 N C -0.796 174.721 175.510 0.013 0.000 1.424 721 N CA 0.147 53.205 53.050 0.014 0.000 0.710 721 N CB 1.188 39.682 38.487 0.012 0.000 1.074 721 N HN 0.198 nan 8.380 nan 0.000 0.544 722 T N 0.938 115.499 114.554 0.011 0.000 2.795 722 T HA 0.546 4.896 4.350 -0.000 0.000 0.282 722 T C 0.118 174.825 174.700 0.012 0.000 0.980 722 T CA -0.152 61.954 62.100 0.010 0.000 1.012 722 T CB 1.584 70.457 68.868 0.008 0.000 0.936 722 T HN -0.017 nan 8.240 nan 0.000 0.457 723 I N 3.017 123.595 120.570 0.013 0.000 2.354 723 I HA 0.220 4.390 4.170 -0.000 0.000 0.286 723 I C 0.377 176.501 176.117 0.012 0.000 1.007 723 I CA -0.538 60.770 61.300 0.013 0.000 1.167 723 I CB 1.304 39.313 38.000 0.015 0.000 1.320 723 I HN 0.542 nan 8.210 nan 0.000 0.458 724 T N 5.970 120.529 114.554 0.008 0.000 2.761 724 T HA 0.304 4.654 4.350 -0.000 0.000 0.296 724 T C 0.028 174.729 174.700 0.002 0.000 0.934 724 T CA -0.322 61.781 62.100 0.006 0.000 1.091 724 T CB 0.987 69.856 68.868 0.001 0.000 0.896 724 T HN 0.169 nan 8.240 nan 0.000 0.515 725 V N 4.090 124.011 119.914 0.013 0.000 2.334 725 V HA 0.476 4.596 4.120 -0.000 0.000 0.281 725 V C 0.454 176.559 176.094 0.019 0.000 1.016 725 V CA -0.706 61.601 62.300 0.011 0.000 0.832 725 V CB 1.354 33.209 31.823 0.052 0.000 0.999 725 V HN 0.964 nan 8.190 nan 0.000 0.439 726 T N 4.047 118.583 114.554 -0.030 0.000 2.786 726 T HA 0.683 5.033 4.350 -0.000 0.000 0.283 726 T C 0.276 174.905 174.700 -0.118 0.000 0.992 726 T CA -0.054 62.027 62.100 -0.031 0.000 0.954 726 T CB 0.949 69.795 68.868 -0.036 0.000 0.934 726 T HN 0.835 nan 8.240 nan 0.000 0.440 727 G N 2.447 111.211 108.800 -0.060 0.000 2.451 727 G HA2 0.705 4.665 3.960 -0.000 0.000 0.303 727 G HA3 0.705 4.665 3.960 -0.000 0.000 0.303 727 G C -0.755 174.040 174.900 -0.176 0.000 1.166 727 G CA -0.564 44.399 45.100 -0.227 0.000 0.884 727 G HN 1.143 nan 8.290 nan 0.000 0.514 728 A N 0.119 122.701 122.820 -0.397 0.000 2.456 728 A HA 0.921 5.241 4.320 -0.000 0.000 0.288 728 A C 0.316 177.872 177.584 -0.046 0.000 1.042 728 A CA 0.524 52.473 52.037 -0.145 0.000 0.738 728 A CB 0.975 19.884 19.000 -0.152 0.000 1.266 728 A HN 2.618 nan 8.150 nan 0.000 0.407 729 G N 0.935 109.862 108.800 0.211 0.000 2.384 729 G HA2 0.199 4.159 3.960 -0.000 0.000 0.204 729 G HA3 0.199 4.159 3.960 -0.000 0.000 0.204 729 G C -0.398 174.772 174.900 0.450 0.000 1.237 729 G CA -0.056 45.228 45.100 0.307 0.000 1.060 729 G HN 1.415 nan 8.290 nan 0.000 0.514 730 E N 0.416 120.817 120.200 0.335 0.000 2.151 730 E HA 0.652 5.002 4.350 -0.000 0.000 0.275 730 E C -0.238 176.357 176.600 -0.009 0.000 0.936 730 E CA -0.189 56.313 56.400 0.171 0.000 0.777 730 E CB 1.159 30.938 29.700 0.132 0.000 1.108 730 E HN 1.916 nan 8.360 nan 0.000 0.401 731 A N 4.006 126.704 122.820 -0.202 0.000 2.594 731 A HA 0.587 4.907 4.320 -0.000 0.000 0.296 731 A C -1.644 175.952 177.584 0.019 0.000 1.056 731 A CA -0.904 50.936 52.037 -0.328 0.000 0.693 731 A CB 1.726 19.855 19.000 -1.452 0.000 1.278 731 A HN 0.524 nan 8.150 nan 0.000 0.408 732 K N 1.235 121.703 120.400 0.112 0.000 2.464 732 K HA 0.585 4.905 4.320 -0.000 0.000 0.253 732 K C 0.255 176.928 176.600 0.121 0.000 0.933 732 K CA -0.195 56.149 56.287 0.095 0.000 0.801 732 K CB 1.444 33.948 32.500 0.007 0.000 1.271 732 K HN 0.862 nan 8.250 nan 0.000 0.430 733 N N 2.322 121.035 118.700 0.021 0.000 2.747 733 N HA -0.136 4.604 4.740 -0.000 0.000 0.249 733 N C -0.969 174.598 175.510 0.095 0.000 1.107 733 N CA 0.455 53.502 53.050 -0.005 0.000 0.707 733 N CB -0.175 38.314 38.487 0.004 0.000 1.054 733 N HN 0.626 nan 8.380 nan 0.000 0.555 734 W N -0.162 121.171 121.300 0.055 0.000 2.332 734 W HA 0.702 5.362 4.660 -0.000 0.000 0.351 734 W C -0.449 176.160 176.519 0.149 0.000 1.195 734 W CA -0.446 56.984 57.345 0.140 0.000 1.334 734 W CB 0.424 30.075 29.460 0.319 0.000 1.206 734 W HN -0.095 nan 8.180 nan 0.000 0.637 735 T N 2.631 117.540 114.554 0.592 0.000 2.906 735 T HA 0.495 4.845 4.350 -0.000 0.000 0.295 735 T C -1.236 173.779 174.700 0.526 0.000 1.075 735 T CA -0.755 61.553 62.100 0.345 0.000 1.005 735 T CB 1.827 70.790 68.868 0.157 0.000 1.136 735 T HN 0.409 nan 8.240 nan 0.000 0.498 736 L N 2.492 123.899 121.223 0.307 0.000 2.406 736 L HA 0.565 4.905 4.340 -0.000 0.000 0.270 736 L C -0.865 176.028 176.870 0.038 0.000 0.982 736 L CA -0.549 54.429 54.840 0.230 0.000 0.843 736 L CB 0.949 43.167 42.059 0.265 0.000 1.225 736 L HN 0.836 nan 8.230 nan 0.000 0.412 737 C N 6.596 125.831 119.300 -0.109 0.000 2.307 737 C HA 0.496 4.956 4.460 -0.000 0.000 0.340 737 C C 0.234 175.171 174.990 -0.088 0.000 1.275 737 C CA -0.659 58.282 59.018 -0.127 0.000 1.811 737 C CB -0.009 27.594 27.740 -0.228 0.000 2.372 737 C HN 0.738 nan 8.230 nan 0.000 0.531 738 L N 6.569 127.763 121.223 -0.048 0.000 2.270 738 L HA 0.402 4.742 4.340 -0.000 0.000 0.286 738 L C 0.559 177.387 176.870 -0.070 0.000 1.059 738 L CA -0.243 54.564 54.840 -0.054 0.000 0.839 738 L CB -0.011 42.036 42.059 -0.020 0.000 1.221 738 L HN 0.647 nan 8.230 nan 0.000 0.431 739 R N 3.509 123.916 120.500 -0.155 0.000 2.484 739 R HA 0.043 4.383 4.340 -0.000 0.000 0.293 739 R C 0.649 176.916 176.300 -0.055 0.000 1.023 739 R CA 0.428 56.428 56.100 -0.165 0.000 1.037 739 R CB -0.077 29.935 30.300 -0.479 0.000 0.951 739 R HN 0.563 nan 8.270 nan 0.000 0.418 740 N N 1.442 120.139 118.700 -0.004 0.000 2.741 740 N HA -0.173 4.567 4.740 -0.000 0.000 0.250 740 N C -1.447 174.076 175.510 0.021 0.000 1.115 740 N CA 1.144 54.210 53.050 0.027 0.000 0.724 740 N CB -0.683 37.834 38.487 0.050 0.000 1.090 740 N HN 0.210 nan 8.380 nan 0.000 0.558 741 V N 1.450 121.371 119.914 0.011 0.000 2.325 741 V HA 0.178 4.298 4.120 -0.000 0.000 0.280 741 V C 1.553 177.656 176.094 0.014 0.000 1.016 741 V CA -0.310 61.997 62.300 0.012 0.000 0.818 741 V CB 1.508 33.334 31.823 0.005 0.000 1.019 741 V HN 0.127 nan 8.190 nan 0.000 0.434 742 V N 2.250 122.175 119.914 0.019 0.000 2.548 742 V HA 0.210 4.330 4.120 -0.000 0.000 0.249 742 V C 0.729 176.833 176.094 0.016 0.000 1.055 742 V CA 1.374 63.686 62.300 0.020 0.000 1.065 742 V CB -0.178 31.658 31.823 0.022 0.000 0.681 742 V HN 0.677 nan 8.190 nan 0.000 0.462 743 K N -0.665 119.744 120.400 0.014 0.000 2.498 743 K HA 0.653 4.973 4.320 -0.000 0.000 0.254 743 K C -1.667 174.940 176.600 0.011 0.000 0.933 743 K CA -0.384 55.910 56.287 0.012 0.000 0.806 743 K CB 2.671 35.178 32.500 0.012 0.000 1.301 743 K HN 0.085 nan 8.250 nan 0.000 0.432 744 V N 3.157 123.077 119.914 0.009 0.000 2.864 744 V HA 0.318 4.438 4.120 -0.000 0.000 0.314 744 V C 0.387 176.486 176.094 0.008 0.000 1.073 744 V CA -0.461 61.844 62.300 0.009 0.000 0.956 744 V CB 1.855 33.683 31.823 0.008 0.000 1.023 744 V HN 1.002 nan 8.190 nan 0.000 0.435 745 N N 3.169 121.874 118.700 0.008 0.000 2.216 745 N HA 0.261 5.001 4.740 -0.000 0.000 0.183 745 N C 0.402 175.915 175.510 0.005 0.000 1.017 745 N CA 1.314 54.368 53.050 0.007 0.000 0.861 745 N CB 0.083 38.574 38.487 0.007 0.000 0.986 745 N HN 1.017 nan 8.380 nan 0.000 0.428 746 G N -0.800 108.003 108.800 0.005 0.000 2.547 746 G HA2 0.496 4.456 3.960 -0.000 0.000 0.291 746 G HA3 0.496 4.456 3.960 -0.000 0.000 0.291 746 G C -2.236 172.667 174.900 0.004 0.000 1.471 746 G CA -0.643 44.459 45.100 0.004 0.000 0.798 746 G HN 0.095 nan 8.290 nan 0.000 0.504 747 L N 1.204 122.429 121.223 0.002 0.000 2.580 747 L HA 0.390 4.730 4.340 -0.000 0.000 0.266 747 L C -0.825 176.045 176.870 -0.001 0.000 0.955 747 L CA -0.773 54.067 54.840 0.001 0.000 0.886 747 L CB 2.017 44.075 42.059 -0.002 0.000 1.263 747 L HN 0.634 nan 8.230 nan 0.000 0.406 748 Q N 3.129 122.929 119.800 0.001 0.000 2.235 748 Q HA 0.291 4.631 4.340 -0.000 0.000 0.256 748 Q C -0.538 175.461 176.000 -0.002 0.000 0.951 748 Q CA -0.654 55.148 55.803 -0.000 0.000 0.890 748 Q CB 1.922 30.661 28.738 0.003 0.000 1.279 748 Q HN 0.580 nan 8.270 nan 0.000 0.444 749 D N 0.495 120.891 120.400 -0.007 0.000 2.708 749 D HA -0.158 4.482 4.640 -0.000 0.000 0.236 749 D C -0.216 176.068 176.300 -0.026 0.000 1.146 749 D CA 1.470 55.462 54.000 -0.013 0.000 0.662 749 D CB -0.937 39.861 40.800 -0.002 0.000 1.059 749 D HN 0.842 nan 8.370 nan 0.000 0.428 750 G N -0.784 107.999 108.800 -0.029 0.000 2.703 750 G HA2 0.511 4.471 3.960 -0.000 0.000 0.294 750 G HA3 0.511 4.471 3.960 -0.000 0.000 0.294 750 G C -0.404 174.474 174.900 -0.036 0.000 1.451 750 G CA 0.076 45.151 45.100 -0.042 0.000 0.869 750 G HN 0.186 nan 8.290 nan 0.000 0.516 751 S N -0.558 115.114 115.700 -0.046 0.000 2.758 751 S HA 0.855 5.325 4.470 -0.000 0.000 0.292 751 S C -0.335 174.249 174.600 -0.027 0.000 1.131 751 S CA -0.561 57.618 58.200 -0.035 0.000 0.997 751 S CB 1.837 65.012 63.200 -0.040 0.000 1.111 751 S HN 1.246 nan 8.310 nan 0.000 0.552 752 Q N -0.479 119.310 119.800 -0.018 0.000 2.320 752 Q HA 0.742 5.082 4.340 -0.000 0.000 0.272 752 Q C -1.525 174.471 176.000 -0.006 0.000 1.023 752 Q CA -1.317 54.480 55.803 -0.010 0.000 0.855 752 Q CB 1.710 30.445 28.738 -0.005 0.000 1.367 752 Q HN 0.994 nan 8.270 nan 0.000 0.406 753 A N 2.025 124.845 122.820 -0.002 0.000 2.479 753 A HA 0.701 5.021 4.320 -0.000 0.000 0.296 753 A C -1.217 176.373 177.584 0.010 0.000 1.121 753 A CA -0.784 51.255 52.037 0.003 0.000 0.743 753 A CB 1.853 20.855 19.000 0.003 0.000 1.323 753 A HN 0.785 nan 8.150 nan 0.000 0.415 754 E N 0.446 120.654 120.200 0.013 0.000 2.266 754 E HA 0.529 4.879 4.350 -0.000 0.000 0.277 754 E C -0.060 176.555 176.600 0.026 0.000 1.018 754 E CA -0.112 56.299 56.400 0.019 0.000 0.840 754 E CB 1.486 31.197 29.700 0.018 0.000 1.082 754 E HN 0.744 nan 8.360 nan 0.000 0.395 755 S N 0.773 116.493 115.700 0.033 0.000 2.661 755 S HA 0.177 4.647 4.470 -0.000 0.000 0.285 755 S C 0.801 175.432 174.600 0.051 0.000 1.138 755 S CA -0.753 57.474 58.200 0.045 0.000 0.855 755 S CB 1.514 64.747 63.200 0.055 0.000 1.136 755 S HN 0.714 nan 8.310 nan 0.000 0.484 756 E N 0.342 120.579 120.200 0.062 0.000 2.204 756 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 756 E C 1.403 178.047 176.600 0.074 0.000 0.989 756 E CA 1.169 57.608 56.400 0.066 0.000 0.824 756 E CB -0.263 29.481 29.700 0.073 0.000 0.756 756 E HN 0.748 nan 8.360 nan 0.000 0.477 757 Q N 0.022 119.873 119.800 0.085 0.000 2.408 757 Q HA 0.259 4.599 4.340 -0.000 0.000 0.205 757 Q C 0.344 176.380 176.000 0.060 0.000 0.919 757 Q CA 0.349 56.205 55.803 0.088 0.000 0.932 757 Q CB 1.320 30.130 28.738 0.120 0.000 1.058 757 Q HN 0.340 nan 8.270 nan 0.000 0.517 758 G N 0.442 109.272 108.800 0.049 0.000 2.359 758 G HA2 0.036 3.996 3.960 -0.000 0.000 0.314 758 G HA3 0.036 3.996 3.960 -0.000 0.000 0.314 758 G C -2.077 172.837 174.900 0.023 0.000 1.364 758 G CA -1.177 43.940 45.100 0.027 0.000 0.978 758 G HN 0.003 nan 8.290 nan 0.000 0.615 759 L N 0.507 121.737 121.223 0.012 0.000 2.462 759 L HA 0.551 4.891 4.340 -0.000 0.000 0.272 759 L C 0.495 177.368 176.870 0.005 0.000 1.166 759 L CA -0.048 54.798 54.840 0.010 0.000 0.880 759 L CB 1.056 43.120 42.059 0.008 0.000 1.142 759 L HN 0.502 nan 8.230 nan 0.000 0.473 760 V N 6.274 126.193 119.914 0.008 0.000 2.407 760 V HA 0.413 4.532 4.120 -0.000 0.000 0.278 760 V C -0.141 175.956 176.094 0.004 0.000 1.037 760 V CA -0.632 61.671 62.300 0.005 0.000 0.900 760 V CB 1.518 33.347 31.823 0.010 0.000 0.983 760 V HN 0.491 nan 8.190 nan 0.000 0.459 761 V N 4.884 124.805 119.914 0.011 0.000 2.448 761 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 761 V C -0.107 175.976 176.094 -0.020 0.000 1.025 761 V CA -0.921 61.380 62.300 0.002 0.000 0.859 761 V CB 1.906 33.740 31.823 0.018 0.000 0.988 761 V HN 0.840 nan 8.190 nan 0.000 0.431 762 K N 7.808 128.165 120.400 -0.071 0.000 2.211 762 K HA 0.550 4.870 4.320 -0.000 0.000 0.275 762 K C -2.528 173.941 176.600 -0.219 0.000 1.024 762 K CA -1.946 54.242 56.287 -0.165 0.000 0.887 762 K CB 1.572 33.991 32.500 -0.134 0.000 1.084 762 K HN 0.366 nan 8.250 nan 0.000 0.463 763 P HA 0.120 nan 4.420 nan 0.000 0.276 763 P C -1.577 175.584 177.300 -0.233 0.000 1.244 763 P CA -0.355 62.558 63.100 -0.312 0.000 0.801 763 P CB 0.907 32.295 31.700 -0.520 0.000 1.006 764 Q N 0.488 120.211 119.800 -0.128 0.000 2.406 764 Q HA 0.472 4.812 4.340 -0.000 0.000 0.244 764 Q C 0.258 176.233 176.000 -0.041 0.000 0.884 764 Q CA -0.525 55.225 55.803 -0.087 0.000 0.813 764 Q CB 0.960 29.654 28.738 -0.074 0.000 1.368 764 Q HN 0.771 nan 8.270 nan 0.000 0.439 765 G N 2.732 111.519 108.800 -0.022 0.000 2.320 765 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.242 765 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.242 765 G C 0.223 175.139 174.900 0.027 0.000 1.033 765 G CA 0.179 45.282 45.100 0.005 0.000 0.620 765 G HN 0.976 nan 8.290 nan 0.000 0.517 766 N N -1.749 116.969 118.700 0.029 0.000 4.145 766 N HA 0.174 4.914 4.740 -0.000 0.000 0.312 766 N C 0.404 175.940 175.510 0.045 0.000 2.209 766 N CA 1.232 54.318 53.050 0.060 0.000 2.838 766 N CB -0.689 37.863 38.487 0.108 0.000 0.342 766 N HN 2.018 nan 8.380 nan 0.000 0.637 767 A N 2.786 125.633 122.820 0.045 0.000 2.166 767 A HA 0.055 4.375 4.320 -0.000 0.000 0.178 767 A C 0.644 178.249 177.584 0.035 0.000 2.314 767 A CA 0.428 52.484 52.037 0.032 0.000 1.535 767 A CB -0.409 18.603 19.000 0.020 0.000 1.347 767 A HN 1.326 nan 8.150 nan 0.000 0.351 768 L N 1.711 122.955 121.223 0.036 0.000 4.071 768 L HA -0.159 4.181 4.340 -0.000 0.000 0.471 768 L C 0.127 177.014 176.870 0.029 0.000 1.096 768 L CA 1.475 56.336 54.840 0.035 0.000 0.865 768 L CB -2.345 39.757 42.059 0.071 0.000 1.802 768 L HN 0.517 nan 8.230 nan 0.000 0.946 769 T N 1.313 115.879 114.554 0.019 0.000 2.829 769 T HA 0.355 4.705 4.350 -0.000 0.000 0.293 769 T C 0.358 175.066 174.700 0.013 0.000 0.970 769 T CA 0.610 62.719 62.100 0.015 0.000 1.168 769 T CB 0.150 69.024 68.868 0.011 0.000 0.911 769 T HN 0.464 nan 8.240 nan 0.000 0.535 770 I N 2.281 122.859 120.570 0.014 0.000 2.441 770 I HA 0.701 4.871 4.170 -0.000 0.000 0.295 770 I C -0.016 176.107 176.117 0.011 0.000 0.994 770 I CA -0.408 60.899 61.300 0.012 0.000 1.144 770 I CB 2.322 40.330 38.000 0.014 0.000 1.314 770 I HN 0.511 nan 8.210 nan 0.000 0.445 771 T N 7.193 121.752 114.554 0.009 0.000 2.809 771 T HA 0.601 4.951 4.350 -0.000 0.000 0.284 771 T C -0.398 174.308 174.700 0.010 0.000 0.992 771 T CA -0.643 61.463 62.100 0.009 0.000 0.957 771 T CB 0.530 69.403 68.868 0.008 0.000 0.942 771 T HN 0.636 nan 8.240 nan 0.000 0.439 772 L N 3.755 124.984 121.223 0.011 0.000 2.439 772 L HA 0.553 4.893 4.340 -0.000 0.000 0.261 772 L C 2.009 178.886 176.870 0.011 0.000 1.153 772 L CA -0.840 54.007 54.840 0.012 0.000 0.808 772 L CB -0.103 41.965 42.059 0.014 0.000 1.126 772 L HN 1.022 nan 8.230 nan 0.000 0.460 773 H N 0.000 119.077 119.070 0.012 0.000 2.539 773 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 773 H CA 0.000 56.055 56.048 0.011 0.000 1.023 773 H CB 0.000 29.769 29.762 0.012 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496