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 2f2h_1_B 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 0.000 176.168 176.300 -0.220 0.000 1.140 1 M CA 0.000 55.175 55.300 -0.207 0.000 0.988 1 M CB 0.000 32.403 32.600 -0.329 0.000 1.302 2 K N 4.947 125.229 120.400 -0.198 0.000 2.383 2 K HA 0.332 4.652 4.320 -0.000 0.000 0.286 2 K C 0.133 176.586 176.600 -0.245 0.000 1.051 2 K CA 0.220 56.395 56.287 -0.187 0.000 0.974 2 K CB 0.529 32.946 32.500 -0.137 0.000 0.968 2 K HN 0.674 nan 8.250 nan 0.000 0.475 3 I N 0.274 120.682 120.570 -0.270 0.000 3.393 3 I HA -0.097 4.073 4.170 -0.000 0.000 0.250 3 I C 0.988 176.962 176.117 -0.238 0.000 1.122 3 I CA 0.137 61.236 61.300 -0.337 0.000 1.484 3 I CB -0.075 37.588 38.000 -0.561 0.000 1.468 3 I HN 0.502 nan 8.210 nan 0.000 0.461 4 S N 0.827 116.406 115.700 -0.201 0.000 2.593 4 S HA 0.079 4.549 4.470 -0.000 0.000 0.269 4 S C -0.284 174.253 174.600 -0.105 0.000 1.334 4 S CA -0.383 57.737 58.200 -0.134 0.000 1.015 4 S CB 1.264 64.391 63.200 -0.123 0.000 0.912 4 S HN 0.277 nan 8.310 nan 0.000 0.541 5 D N 0.769 121.127 120.400 -0.070 0.000 2.460 5 D HA 0.493 5.133 4.640 -0.000 0.000 0.268 5 D C 0.806 177.090 176.300 -0.026 0.000 1.153 5 D CA 0.762 54.735 54.000 -0.045 0.000 0.929 5 D CB -0.104 40.681 40.800 -0.026 0.000 1.015 5 D HN 1.100 nan 8.370 nan 0.000 0.502 6 G N 3.424 112.192 108.800 -0.052 0.000 2.752 6 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.234 6 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.234 6 G C 0.886 175.693 174.900 -0.156 0.000 1.367 6 G CA 0.095 45.151 45.100 -0.073 0.000 0.879 6 G HN 0.531 nan 8.290 nan 0.000 0.563 7 N N -0.808 117.700 118.700 -0.320 0.000 2.166 7 N HA -0.033 4.707 4.740 -0.000 0.000 0.186 7 N C 1.938 177.138 175.510 -0.517 0.000 1.019 7 N CA 2.656 55.362 53.050 -0.574 0.000 0.856 7 N CB -0.145 37.740 38.487 -1.003 0.000 0.993 7 N HN 0.623 nan 8.380 nan 0.000 0.426 8 W N -0.249 121.040 121.300 -0.020 0.000 2.996 8 W HA 0.398 5.058 4.660 -0.000 0.000 0.270 8 W C 0.027 176.536 176.519 -0.017 0.000 1.280 8 W CA -0.572 56.764 57.345 -0.016 0.000 1.549 8 W CB 0.358 29.809 29.460 -0.014 0.000 1.079 8 W HN -0.117 nan 8.180 nan 0.000 0.629 9 L N -0.058 121.251 121.223 0.144 0.000 2.283 9 L HA 0.624 4.964 4.340 -0.000 0.000 0.259 9 L C -0.406 176.475 176.870 0.017 0.000 1.027 9 L CA -1.326 53.564 54.840 0.084 0.000 0.828 9 L CB 2.002 44.108 42.059 0.079 0.000 1.380 9 L HN -0.330 nan 8.230 nan 0.000 0.425 10 I N 0.149 120.720 120.570 0.002 0.000 2.530 10 I HA 0.255 4.425 4.170 -0.000 0.000 0.297 10 I C -0.378 175.711 176.117 -0.047 0.000 1.011 10 I CA -0.947 60.331 61.300 -0.036 0.000 1.107 10 I CB 1.865 39.846 38.000 -0.032 0.000 1.285 10 I HN 0.496 nan 8.210 nan 0.000 0.436 11 Q N 4.983 124.737 119.800 -0.077 0.000 2.304 11 Q HA 0.095 4.435 4.340 -0.000 0.000 0.301 11 Q C -2.237 173.727 176.000 -0.061 0.000 1.063 11 Q CA -1.180 54.578 55.803 -0.075 0.000 0.947 11 Q CB -0.144 28.530 28.738 -0.106 0.000 1.201 11 Q HN 0.234 nan 8.270 nan 0.000 0.389 12 P HA 0.018 nan 4.420 nan 0.000 0.268 12 P C 0.670 177.946 177.300 -0.041 0.000 1.204 12 P CA 0.722 63.801 63.100 -0.035 0.000 0.768 12 P CB 0.463 32.147 31.700 -0.027 0.000 0.842 13 G N 2.020 110.799 108.800 -0.035 0.000 2.205 13 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.261 13 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.261 13 G C -0.102 174.770 174.900 -0.047 0.000 0.980 13 G CA -0.188 44.891 45.100 -0.035 0.000 0.632 13 G HN 0.488 nan 8.290 nan 0.000 0.533 14 L N 1.192 122.375 121.223 -0.065 0.000 2.290 14 L HA 0.443 4.783 4.340 -0.000 0.000 0.284 14 L C -0.395 176.429 176.870 -0.078 0.000 1.078 14 L CA -0.863 53.924 54.840 -0.088 0.000 0.815 14 L CB 0.883 42.864 42.059 -0.130 0.000 1.162 14 L HN 0.014 nan 8.230 nan 0.000 0.435 15 N N 4.916 123.568 118.700 -0.080 0.000 2.408 15 N HA 0.562 5.302 4.740 -0.000 0.000 0.280 15 N C -0.773 174.679 175.510 -0.096 0.000 1.002 15 N CA -0.366 52.644 53.050 -0.066 0.000 0.907 15 N CB 2.281 40.743 38.487 -0.042 0.000 1.161 15 N HN 0.430 nan 8.380 nan 0.000 0.488 16 L N 2.660 123.823 121.223 -0.100 0.000 2.325 16 L HA 0.663 5.003 4.340 -0.000 0.000 0.278 16 L C 0.177 176.907 176.870 -0.232 0.000 1.023 16 L CA -1.082 53.650 54.840 -0.179 0.000 0.811 16 L CB 1.317 43.267 42.059 -0.182 0.000 1.249 16 L HN 0.450 nan 8.230 nan 0.000 0.431 17 I N -1.662 118.760 120.570 -0.246 0.000 2.686 17 I HA 0.574 4.744 4.170 -0.000 0.000 0.295 17 I C -1.085 174.916 176.117 -0.193 0.000 1.114 17 I CA -0.614 60.586 61.300 -0.168 0.000 1.038 17 I CB 2.368 40.390 38.000 0.036 0.000 1.238 17 I HN 0.477 nan 8.210 nan 0.000 0.420 18 H N 3.340 122.484 119.070 0.123 0.000 2.690 18 H HA 0.475 5.031 4.556 -0.000 0.000 0.368 18 H C -2.718 172.426 175.328 -0.307 0.000 1.150 18 H CA -1.965 53.965 56.048 -0.197 0.000 1.174 18 H CB 2.408 32.058 29.762 -0.187 0.000 1.684 18 H HN 0.434 nan 8.280 nan 0.000 0.538 19 P HA 0.113 nan 4.420 nan 0.000 0.276 19 P C 0.255 176.852 177.300 -1.173 0.000 1.253 19 P CA 0.029 62.675 63.100 -0.757 0.000 0.766 19 P CB 0.942 32.052 31.700 -0.982 0.000 0.845 20 L N 1.795 122.597 121.223 -0.701 0.000 2.993 20 L HA 0.317 4.657 4.340 -0.000 0.000 0.264 20 L C 0.897 177.737 176.870 -0.050 0.000 1.154 20 L CA 0.222 54.798 54.840 -0.439 0.000 0.972 20 L CB 0.522 42.482 42.059 -0.164 0.000 1.373 20 L HN 0.386 nan 8.230 nan 0.000 0.564 21 Q N 0.992 120.821 119.800 0.048 0.000 2.281 21 Q HA 0.326 4.666 4.340 -0.000 0.000 0.263 21 Q C -1.359 174.877 176.000 0.393 0.000 0.989 21 Q CA -0.394 55.578 55.803 0.281 0.000 0.852 21 Q CB 3.095 31.925 28.738 0.154 0.000 1.337 21 Q HN -0.120 nan 8.270 nan 0.000 0.418 22 V N 5.464 125.663 119.914 0.475 0.000 2.485 22 V HA -0.004 4.116 4.120 -0.000 0.000 0.287 22 V C 0.648 176.943 176.094 0.336 0.000 1.022 22 V CA 0.690 63.236 62.300 0.409 0.000 1.067 22 V CB 0.052 32.036 31.823 0.269 0.000 0.967 22 V HN 0.812 nan 8.190 nan 0.000 0.479 23 F N 3.480 123.566 119.950 0.227 0.000 2.317 23 F HA 0.294 4.821 4.527 -0.000 0.000 0.290 23 F C 1.026 176.922 175.800 0.160 0.000 1.075 23 F CA 0.892 58.993 58.000 0.168 0.000 1.380 23 F CB 0.514 39.607 39.000 0.155 0.000 1.093 23 F HN 0.579 nan 8.300 nan 0.000 0.524 24 E N -0.163 120.140 120.200 0.173 0.000 2.390 24 E HA 0.493 4.843 4.350 -0.000 0.000 0.280 24 E C -1.973 174.797 176.600 0.283 0.000 0.992 24 E CA -0.741 55.707 56.400 0.081 0.000 0.790 24 E CB 2.242 31.967 29.700 0.041 0.000 1.248 24 E HN -0.157 nan 8.360 nan 0.000 0.447 25 V N 2.217 122.240 119.914 0.182 0.000 2.680 25 V HA 0.573 4.693 4.120 -0.000 0.000 0.309 25 V C -0.687 175.512 176.094 0.175 0.000 1.052 25 V CA -0.657 61.753 62.300 0.184 0.000 0.908 25 V CB 1.820 33.710 31.823 0.112 0.000 1.001 25 V HN 0.708 nan 8.190 nan 0.000 0.431 26 E N 2.485 122.796 120.200 0.185 0.000 2.290 26 E HA 0.390 4.740 4.350 -0.000 0.000 0.274 26 E C -1.344 175.335 176.600 0.132 0.000 0.889 26 E CA -0.610 55.889 56.400 0.164 0.000 0.760 26 E CB 2.256 32.097 29.700 0.235 0.000 1.206 26 E HN 0.755 nan 8.360 nan 0.000 0.419 27 Q N 3.420 123.285 119.800 0.108 0.000 2.278 27 Q HA 0.244 4.584 4.340 -0.000 0.000 0.257 27 Q C -1.144 174.913 176.000 0.095 0.000 0.928 27 Q CA -0.345 55.522 55.803 0.107 0.000 0.932 27 Q CB 1.205 29.998 28.738 0.092 0.000 1.221 27 Q HN 0.500 nan 8.270 nan 0.000 0.434 28 Q N 4.412 124.271 119.800 0.098 0.000 2.464 28 Q HA 0.180 4.520 4.340 -0.000 0.000 0.256 28 Q C -0.837 175.212 176.000 0.080 0.000 1.020 28 Q CA -0.674 55.176 55.803 0.078 0.000 0.716 28 Q CB 1.260 30.038 28.738 0.066 0.000 1.230 28 Q HN 0.816 nan 8.270 nan 0.000 0.494 29 D N 1.674 122.116 120.400 0.070 0.000 3.899 29 D HA -0.286 4.354 4.640 -0.000 0.000 0.146 29 D C 0.648 177.007 176.300 0.099 0.000 0.820 29 D CA 2.145 56.187 54.000 0.070 0.000 1.056 29 D CB -0.689 40.145 40.800 0.058 0.000 0.474 29 D HN 0.768 nan 8.370 nan 0.000 0.457 30 N N 2.474 121.247 118.700 0.122 0.000 2.327 30 N HA 0.046 4.786 4.740 -0.000 0.000 0.231 30 N C -0.545 175.163 175.510 0.331 0.000 1.130 30 N CA 0.288 53.446 53.050 0.179 0.000 0.845 30 N CB 0.138 38.712 38.487 0.145 0.000 1.073 30 N HN 0.499 nan 8.380 nan 0.000 0.496 31 E N 0.113 120.475 120.200 0.269 0.000 2.343 31 E HA 0.380 4.730 4.350 -0.000 0.000 0.270 31 E C -1.127 175.609 176.600 0.226 0.000 0.895 31 E CA -0.744 55.816 56.400 0.265 0.000 0.767 31 E CB 2.598 32.378 29.700 0.132 0.000 1.248 31 E HN 0.085 nan 8.360 nan 0.000 0.440 32 M N 2.359 122.085 119.600 0.209 0.000 2.321 32 M HA 0.419 4.899 4.480 -0.000 0.000 0.315 32 M C -1.823 174.580 176.300 0.173 0.000 1.052 32 M CA -0.840 54.587 55.300 0.211 0.000 0.936 32 M CB 1.609 34.373 32.600 0.272 0.000 1.639 32 M HN 0.293 nan 8.290 nan 0.000 0.433 33 V N 5.420 125.398 119.914 0.105 0.000 2.444 33 V HA 0.509 4.629 4.120 -0.000 0.000 0.294 33 V C -0.777 175.297 176.094 -0.034 0.000 1.022 33 V CA -0.709 61.570 62.300 -0.034 0.000 0.850 33 V CB 1.855 33.600 31.823 -0.129 0.000 0.992 33 V HN 0.665 nan 8.190 nan 0.000 0.426 34 V N 5.561 125.460 119.914 -0.026 0.000 2.409 34 V HA 0.460 4.580 4.120 -0.000 0.000 0.291 34 V C -1.004 175.090 176.094 0.001 0.000 1.020 34 V CA -0.782 61.582 62.300 0.107 0.000 0.848 34 V CB 1.444 33.436 31.823 0.282 0.000 0.990 34 V HN 0.736 nan 8.190 nan 0.000 0.430 35 Y N 2.971 123.432 120.300 0.269 0.000 2.341 35 Y HA 0.702 5.252 4.550 -0.000 0.000 0.340 35 Y C 0.500 176.605 175.900 0.341 0.000 0.997 35 Y CA -0.407 57.864 58.100 0.283 0.000 1.149 35 Y CB 1.637 40.279 38.460 0.302 0.000 1.171 35 Y HN 0.706 nan 8.280 nan 0.000 0.494 36 A N 2.397 125.476 122.820 0.431 0.000 2.359 36 A HA 0.869 5.189 4.320 -0.000 0.000 0.303 36 A C -0.805 176.934 177.584 0.257 0.000 1.066 36 A CA -0.637 51.611 52.037 0.351 0.000 0.730 36 A CB 0.620 19.777 19.000 0.262 0.000 1.211 36 A HN 0.798 nan 8.150 nan 0.000 0.439 37 A N 3.324 126.256 122.820 0.188 0.000 2.293 37 A HA 0.818 5.138 4.320 -0.000 0.000 0.302 37 A C -1.876 175.753 177.584 0.076 0.000 1.119 37 A CA -1.690 50.413 52.037 0.111 0.000 0.823 37 A CB 0.510 19.553 19.000 0.073 0.000 1.097 37 A HN 0.546 nan 8.150 nan 0.000 0.491 38 P HA 0.095 nan 4.420 nan 0.000 0.253 38 P C -0.126 177.175 177.300 0.002 0.000 1.260 38 P CA 0.416 63.555 63.100 0.065 0.000 0.800 38 P CB -0.026 31.735 31.700 0.102 0.000 1.162 39 R N -2.446 118.042 120.500 -0.021 0.000 2.762 39 R HA 0.473 4.813 4.340 -0.000 0.000 0.271 39 R C -1.416 174.845 176.300 -0.065 0.000 1.038 39 R CA -0.884 55.173 56.100 -0.073 0.000 0.906 39 R CB -0.422 29.802 30.300 -0.127 0.000 1.259 39 R HN -0.373 nan 8.270 nan 0.000 0.457 40 D N 1.121 121.444 120.400 -0.128 0.000 2.339 40 D HA 0.162 4.802 4.640 -0.000 0.000 0.256 40 D C 0.375 176.650 176.300 -0.040 0.000 1.214 40 D CA -0.221 53.728 54.000 -0.086 0.000 0.877 40 D CB 1.575 42.290 40.800 -0.142 0.000 1.111 40 D HN 0.498 nan 8.370 nan 0.000 0.478 41 V N 1.820 121.783 119.914 0.082 0.000 2.988 41 V HA 0.330 4.450 4.120 -0.000 0.000 0.356 41 V C 1.660 177.899 176.094 0.242 0.000 1.380 41 V CA -0.459 61.943 62.300 0.171 0.000 1.184 41 V CB -0.095 31.794 31.823 0.110 0.000 1.204 41 V HN 0.354 nan 8.190 nan 0.000 0.530 42 R N 1.067 121.681 120.500 0.190 0.000 2.127 42 R HA 0.043 4.383 4.340 -0.000 0.000 0.238 42 R C 0.537 176.947 176.300 0.183 0.000 1.134 42 R CA 1.278 57.481 56.100 0.171 0.000 0.975 42 R CB 0.157 30.523 30.300 0.109 0.000 0.865 42 R HN 0.672 nan 8.270 nan 0.000 0.447 43 E N 0.178 120.513 120.200 0.226 0.000 2.191 43 E HA 0.150 4.500 4.350 -0.000 0.000 0.278 43 E C 0.468 177.176 176.600 0.180 0.000 0.972 43 E CA -0.455 56.067 56.400 0.204 0.000 0.804 43 E CB 1.439 31.286 29.700 0.246 0.000 1.110 43 E HN 0.114 nan 8.360 nan 0.000 0.394 44 R N 0.760 121.320 120.500 0.099 0.000 2.120 44 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 44 R C 2.141 178.432 176.300 -0.014 0.000 1.123 44 R CA 1.352 57.487 56.100 0.058 0.000 0.975 44 R CB -0.484 29.837 30.300 0.035 0.000 0.866 44 R HN 0.528 nan 8.270 nan 0.000 0.446 45 T N -0.420 114.072 114.554 -0.102 0.000 2.778 45 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 45 T C 1.058 175.521 174.700 -0.396 0.000 1.050 45 T CA 1.262 63.174 62.100 -0.314 0.000 1.137 45 T CB -0.134 68.430 68.868 -0.507 0.000 0.860 45 T HN 0.517 nan 8.240 nan 0.000 0.468 46 W N 0.947 122.247 121.300 -0.001 0.000 3.278 46 W HA 0.352 5.012 4.660 -0.000 0.000 0.308 46 W C 1.382 177.880 176.519 -0.035 0.000 1.253 46 W CA -0.745 56.593 57.345 -0.010 0.000 1.759 46 W CB 0.333 29.794 29.460 0.002 0.000 1.093 46 W HN 0.218 nan 8.180 nan 0.000 0.648 47 Q N 1.854 121.727 119.800 0.122 0.000 2.642 47 Q HA 0.262 4.601 4.340 -0.000 0.000 0.319 47 Q C -0.394 175.582 176.000 -0.039 0.000 1.030 47 Q CA 0.159 55.963 55.803 0.003 0.000 0.943 47 Q CB -0.466 28.263 28.738 -0.015 0.000 1.323 47 Q HN 0.317 nan 8.270 nan 0.000 0.419 48 L N -5.523 115.702 121.223 0.004 0.000 3.020 48 L HA 0.432 4.772 4.340 -0.000 0.000 0.273 48 L C -1.241 175.648 176.870 0.032 0.000 1.018 48 L CA -1.242 53.592 54.840 -0.011 0.000 0.950 48 L CB 1.000 43.043 42.059 -0.027 0.000 1.510 48 L HN -0.181 nan 8.230 nan 0.000 0.404 49 D N 0.413 120.824 120.400 0.018 0.000 2.704 49 D HA -0.155 4.485 4.640 -0.000 0.000 0.232 49 D C -0.222 176.112 176.300 0.057 0.000 1.183 49 D CA 1.812 55.836 54.000 0.040 0.000 0.647 49 D CB -0.645 40.189 40.800 0.056 0.000 1.013 49 D HN 0.920 nan 8.370 nan 0.000 0.415 50 T N -0.956 113.614 114.554 0.027 0.000 2.982 50 T HA 0.496 4.846 4.350 -0.000 0.000 0.321 50 T C -2.540 172.148 174.700 -0.019 0.000 1.229 50 T CA -1.336 60.771 62.100 0.012 0.000 1.044 50 T CB 1.729 70.603 68.868 0.011 0.000 1.184 50 T HN -0.240 nan 8.240 nan 0.000 0.477 51 P HA 0.475 nan 4.420 nan 0.000 0.273 51 P C -1.343 175.873 177.300 -0.141 0.000 1.250 51 P CA -0.846 62.197 63.100 -0.094 0.000 0.793 51 P CB 0.411 31.999 31.700 -0.187 0.000 1.011 52 L N 0.961 122.064 121.223 -0.199 0.000 2.482 52 L HA 0.463 4.803 4.340 -0.000 0.000 0.263 52 L C -1.582 175.171 176.870 -0.195 0.000 0.957 52 L CA -0.536 54.235 54.840 -0.116 0.000 0.836 52 L CB 1.324 43.366 42.059 -0.028 0.000 1.324 52 L HN 0.295 nan 8.230 nan 0.000 0.406 53 F N 1.657 121.653 119.950 0.077 0.000 2.399 53 F HA 0.502 5.029 4.527 -0.000 0.000 0.334 53 F C 0.717 176.571 175.800 0.090 0.000 1.097 53 F CA -0.274 57.765 58.000 0.065 0.000 1.076 53 F CB 2.045 41.052 39.000 0.012 0.000 1.162 53 F HN 0.341 nan 8.300 nan 0.000 0.495 54 T N 4.847 119.531 114.554 0.217 0.000 2.821 54 T HA 0.524 4.874 4.350 -0.000 0.000 0.307 54 T C -0.627 174.063 174.700 -0.017 0.000 1.034 54 T CA -0.531 61.581 62.100 0.019 0.000 0.953 54 T CB 0.315 69.180 68.868 -0.006 0.000 0.968 54 T HN 0.129 nan 8.240 nan 0.000 0.462 55 L N 3.399 124.581 121.223 -0.067 0.000 2.282 55 L HA 0.591 4.931 4.340 -0.000 0.000 0.288 55 L C 0.439 177.127 176.870 -0.303 0.000 1.033 55 L CA -0.428 54.305 54.840 -0.179 0.000 0.807 55 L CB 1.025 43.023 42.059 -0.102 0.000 1.209 55 L HN 0.446 nan 8.230 nan 0.000 0.423 56 R N 2.678 122.941 120.500 -0.396 0.000 2.494 56 R HA 0.655 4.995 4.340 -0.000 0.000 0.305 56 R C -1.598 174.425 176.300 -0.463 0.000 0.959 56 R CA -0.470 55.447 56.100 -0.304 0.000 0.864 56 R CB 0.923 31.115 30.300 -0.180 0.000 1.159 56 R HN 0.379 nan 8.270 nan 0.000 0.446 57 F N 5.452 125.298 119.950 -0.174 0.000 2.495 57 F HA 0.574 5.101 4.527 -0.000 0.000 0.327 57 F C -0.424 174.971 175.800 -0.674 0.000 1.103 57 F CA -0.586 57.114 58.000 -0.500 0.000 0.949 57 F CB 1.614 40.192 39.000 -0.704 0.000 1.142 57 F HN 0.487 nan 8.300 nan 0.000 0.457 58 F N -0.338 119.150 119.950 -0.770 0.000 2.719 58 F HA 0.662 5.189 4.527 -0.000 0.000 0.309 58 F C -1.260 174.574 175.800 0.057 0.000 1.138 58 F CA -1.213 56.603 58.000 -0.307 0.000 0.943 58 F CB 1.479 40.428 39.000 -0.086 0.000 1.304 58 F HN 0.272 nan 8.300 nan 0.000 0.445 59 S N 2.572 118.525 115.700 0.421 0.000 2.707 59 S HA 0.516 4.986 4.470 -0.000 0.000 0.312 59 S C -1.988 172.722 174.600 0.183 0.000 1.116 59 S CA -1.538 56.808 58.200 0.244 0.000 1.078 59 S CB 1.393 64.774 63.200 0.303 0.000 0.997 59 S HN 0.602 nan 8.310 nan 0.000 0.477 60 P HA 0.042 nan 4.420 nan 0.000 0.222 60 P C -0.411 176.842 177.300 -0.078 0.000 1.153 60 P CA 0.855 63.967 63.100 0.021 0.000 0.798 60 P CB 0.261 31.836 31.700 -0.207 0.000 0.796 61 Q N -0.774 118.918 119.800 -0.179 0.000 2.391 61 Q HA 0.168 4.508 4.340 -0.000 0.000 0.279 61 Q C -0.481 175.451 176.000 -0.114 0.000 1.028 61 Q CA -0.685 55.028 55.803 -0.150 0.000 0.836 61 Q CB 1.811 30.409 28.738 -0.235 0.000 1.414 61 Q HN 0.031 nan 8.270 nan 0.000 0.397 62 E N 0.361 120.518 120.200 -0.071 0.000 2.558 62 E HA 0.061 4.411 4.350 -0.000 0.000 0.255 62 E C 0.591 177.154 176.600 -0.062 0.000 0.968 62 E CA 1.766 58.133 56.400 -0.055 0.000 0.939 62 E CB 0.174 29.846 29.700 -0.046 0.000 0.921 62 E HN 0.823 nan 8.360 nan 0.000 0.477 63 G N 4.254 113.028 108.800 -0.044 0.000 2.157 63 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.248 63 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.248 63 G C 0.309 175.191 174.900 -0.030 0.000 0.979 63 G CA 0.287 45.370 45.100 -0.029 0.000 0.650 63 G HN 0.524 nan 8.290 nan 0.000 0.529 64 I N 0.815 121.346 120.570 -0.065 0.000 2.406 64 I HA 0.512 4.682 4.170 -0.000 0.000 0.290 64 I C -0.160 175.960 176.117 0.004 0.000 0.999 64 I CA -1.139 60.108 61.300 -0.089 0.000 1.124 64 I CB 2.127 39.923 38.000 -0.340 0.000 1.289 64 I HN -0.141 nan 8.210 nan 0.000 0.441 65 V N 5.184 125.138 119.914 0.068 0.000 2.357 65 V HA 0.502 4.622 4.120 -0.000 0.000 0.284 65 V C 0.617 176.659 176.094 -0.088 0.000 1.018 65 V CA -0.493 61.865 62.300 0.097 0.000 0.841 65 V CB 1.560 33.547 31.823 0.273 0.000 0.991 65 V HN 0.900 nan 8.190 nan 0.000 0.437 66 G N 3.502 112.023 108.800 -0.465 0.000 2.395 66 G HA2 0.575 4.535 3.960 -0.000 0.000 0.283 66 G HA3 0.575 4.535 3.960 -0.000 0.000 0.283 66 G C -0.953 173.411 174.900 -0.895 0.000 1.178 66 G CA -0.332 44.090 45.100 -1.131 0.000 0.837 66 G HN 0.586 nan 8.290 nan 0.000 0.518 67 V N 2.416 121.829 119.914 -0.836 0.000 2.532 67 V HA 0.440 4.560 4.120 -0.000 0.000 0.294 67 V C -0.092 175.681 176.094 -0.535 0.000 1.036 67 V CA -0.839 61.018 62.300 -0.739 0.000 0.876 67 V CB 1.526 32.825 31.823 -0.873 0.000 1.012 67 V HN 0.831 nan 8.190 nan 0.000 0.432 68 R N 4.981 125.293 120.500 -0.314 0.000 2.288 68 R HA 0.654 4.994 4.340 -0.000 0.000 0.326 68 R C -1.120 175.126 176.300 -0.091 0.000 0.959 68 R CA -0.521 55.524 56.100 -0.092 0.000 0.834 68 R CB 1.462 31.747 30.300 -0.025 0.000 1.157 68 R HN 0.813 nan 8.270 nan 0.000 0.470 69 I N 3.288 123.885 120.570 0.045 0.000 2.354 69 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 69 I C -0.988 175.273 176.117 0.240 0.000 0.989 69 I CA -0.356 61.002 61.300 0.097 0.000 1.188 69 I CB 1.228 39.260 38.000 0.054 0.000 1.342 69 I HN 0.688 nan 8.210 nan 0.000 0.457 70 E N 6.294 126.646 120.200 0.254 0.000 2.248 70 E HA 0.238 4.588 4.350 -0.000 0.000 0.267 70 E C -0.628 176.129 176.600 0.261 0.000 0.877 70 E CA -0.593 55.966 56.400 0.264 0.000 0.759 70 E CB 2.183 31.971 29.700 0.147 0.000 1.182 70 E HN 0.680 nan 8.360 nan 0.000 0.418 71 H N 3.338 122.429 119.070 0.034 0.000 2.431 71 H HA 0.208 4.764 4.556 -0.000 0.000 0.335 71 H C -0.253 175.043 175.328 -0.053 0.000 1.259 71 H CA 0.213 56.078 56.048 -0.306 0.000 1.907 71 H CB 0.314 29.584 29.762 -0.821 0.000 1.549 71 H HN 0.307 nan 8.280 nan 0.000 0.633 72 F N 1.959 121.684 119.950 -0.375 0.000 2.404 72 F HA 0.205 4.732 4.527 -0.000 0.000 0.345 72 F C 1.352 177.102 175.800 -0.083 0.000 1.110 72 F CA -0.412 57.404 58.000 -0.308 0.000 1.130 72 F CB 1.502 40.335 39.000 -0.277 0.000 1.129 72 F HN 0.413 nan 8.300 nan 0.000 0.500 73 Q N 1.777 121.642 119.800 0.107 0.000 2.425 73 Q HA 0.068 4.408 4.340 -0.000 0.000 0.204 73 Q C 1.934 177.955 176.000 0.035 0.000 0.933 73 Q CA 0.538 56.372 55.803 0.052 0.000 0.939 73 Q CB 0.211 28.951 28.738 0.004 0.000 1.044 73 Q HN 1.003 nan 8.270 nan 0.000 0.513 74 G N 0.682 109.494 108.800 0.020 0.000 2.744 74 G HA2 0.151 4.111 3.960 -0.000 0.000 0.211 74 G HA3 0.151 4.111 3.960 -0.000 0.000 0.211 74 G C 0.501 175.426 174.900 0.042 0.000 1.143 74 G CA 0.314 45.406 45.100 -0.013 0.000 0.788 74 G HN 0.338 nan 8.290 nan 0.000 0.534 75 A N -0.235 122.648 122.820 0.105 0.000 2.425 75 A HA 0.513 4.833 4.320 -0.000 0.000 0.242 75 A C 1.506 179.153 177.584 0.105 0.000 1.077 75 A CA -0.425 51.688 52.037 0.128 0.000 0.781 75 A CB 0.471 19.584 19.000 0.188 0.000 1.020 75 A HN 0.183 nan 8.150 nan 0.000 0.494 76 L N 0.748 122.032 121.223 0.101 0.000 2.046 76 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 76 L C 0.705 177.643 176.870 0.114 0.000 1.077 76 L CA 1.539 56.433 54.840 0.090 0.000 0.747 76 L CB -0.793 41.314 42.059 0.081 0.000 0.896 76 L HN 0.926 nan 8.230 nan 0.000 0.432 77 N N 0.794 119.589 118.700 0.159 0.000 2.686 77 N HA -0.180 4.560 4.740 -0.000 0.000 0.261 77 N C -0.615 175.015 175.510 0.200 0.000 1.001 77 N CA -0.201 52.980 53.050 0.220 0.000 0.764 77 N CB -1.180 37.445 38.487 0.229 0.000 0.898 77 N HN 0.391 nan 8.380 nan 0.000 0.544 78 N N 0.361 119.142 118.700 0.135 0.000 2.444 78 N HA 0.221 4.961 4.740 -0.000 0.000 0.255 78 N C 1.180 176.656 175.510 -0.058 0.000 1.255 78 N CA 0.411 53.503 53.050 0.071 0.000 0.933 78 N CB 0.500 39.014 38.487 0.045 0.000 1.143 78 N HN 0.371 nan 8.380 nan 0.000 0.453 79 G N 0.274 108.921 108.800 -0.255 0.000 2.553 79 G HA2 0.281 4.241 3.960 -0.000 0.000 0.278 79 G HA3 0.281 4.241 3.960 -0.000 0.000 0.278 79 G C -2.338 172.350 174.900 -0.353 0.000 1.349 79 G CA -0.593 44.104 45.100 -0.672 0.000 1.037 79 G HN 0.361 nan 8.290 nan 0.000 0.508 80 P HA 0.233 nan 4.420 nan 0.000 0.276 80 P C -0.933 175.914 177.300 -0.754 0.000 1.252 80 P CA -0.137 62.654 63.100 -0.515 0.000 0.802 80 P CB 1.124 32.597 31.700 -0.378 0.000 1.035 81 H N -0.612 118.272 119.070 -0.310 0.000 2.670 81 H HA 0.308 4.864 4.556 -0.000 0.000 0.361 81 H C 0.031 175.134 175.328 -0.375 0.000 1.169 81 H CA -0.316 55.548 56.048 -0.306 0.000 1.198 81 H CB 0.257 29.939 29.762 -0.133 0.000 1.700 81 H HN 0.344 nan 8.280 nan 0.000 0.542 82 Y N 1.745 121.952 120.300 -0.156 0.000 2.457 82 Y HA 0.043 4.593 4.550 -0.000 0.000 0.341 82 Y C -1.382 174.365 175.900 -0.255 0.000 1.240 82 Y CA -1.926 56.023 58.100 -0.252 0.000 1.437 82 Y CB 0.026 38.383 38.460 -0.172 0.000 1.328 82 Y HN 0.352 nan 8.280 nan 0.000 0.588 83 P HA 0.078 nan 4.420 nan 0.000 0.220 83 P C -0.892 176.264 177.300 -0.241 0.000 1.806 83 P CA -0.050 62.938 63.100 -0.187 0.000 0.976 83 P CB -0.258 31.279 31.700 -0.272 0.000 1.952 84 L N 2.241 123.319 121.223 -0.242 0.000 2.397 84 L HA 0.191 4.531 4.340 -0.000 0.000 0.271 84 L C 0.964 177.709 176.870 -0.208 0.000 1.148 84 L CA 0.350 54.942 54.840 -0.414 0.000 0.825 84 L CB -0.239 41.579 42.059 -0.401 0.000 1.117 84 L HN 0.116 nan 8.230 nan 0.000 0.456 85 N N 4.897 123.483 118.700 -0.190 0.000 2.437 85 N HA 0.326 5.066 4.740 -0.000 0.000 0.243 85 N C -0.617 174.974 175.510 0.135 0.000 1.041 85 N CA 0.026 53.069 53.050 -0.011 0.000 0.940 85 N CB 0.994 39.468 38.487 -0.022 0.000 1.133 85 N HN 0.428 nan 8.380 nan 0.000 0.506 86 I N 3.408 124.043 120.570 0.109 0.000 2.410 86 I HA 0.293 4.463 4.170 -0.000 0.000 0.286 86 I C -0.006 176.171 176.117 0.100 0.000 1.009 86 I CA -0.645 60.748 61.300 0.155 0.000 1.111 86 I CB 1.459 39.564 38.000 0.174 0.000 1.262 86 I HN 0.135 nan 8.210 nan 0.000 0.443 87 L N 5.816 127.092 121.223 0.088 0.000 2.375 87 L HA 0.312 4.652 4.340 -0.000 0.000 0.271 87 L C 1.016 177.938 176.870 0.087 0.000 1.107 87 L CA -0.539 54.342 54.840 0.067 0.000 0.806 87 L CB 0.956 43.041 42.059 0.044 0.000 1.146 87 L HN 0.580 nan 8.230 nan 0.000 0.447 88 Q N 1.074 120.915 119.800 0.068 0.000 2.384 88 Q HA -0.006 4.334 4.340 -0.000 0.000 0.207 88 Q C 0.245 176.286 176.000 0.067 0.000 0.904 88 Q CA 0.409 56.254 55.803 0.070 0.000 0.933 88 Q CB 0.308 29.075 28.738 0.048 0.000 1.077 88 Q HN 0.777 nan 8.270 nan 0.000 0.522 89 D N -1.108 119.324 120.400 0.054 0.000 2.462 89 D HA 0.078 4.718 4.640 -0.000 0.000 0.221 89 D C 0.218 176.538 176.300 0.034 0.000 1.173 89 D CA -0.369 53.655 54.000 0.040 0.000 0.831 89 D CB 0.040 40.855 40.800 0.026 0.000 1.001 89 D HN -0.252 nan 8.370 nan 0.000 0.499 90 V N 1.097 121.039 119.914 0.048 0.000 2.673 90 V HA -0.030 4.090 4.120 -0.000 0.000 0.303 90 V C 0.930 177.031 176.094 0.012 0.000 1.046 90 V CA -0.288 62.029 62.300 0.029 0.000 1.126 90 V CB 0.863 32.713 31.823 0.045 0.000 0.934 90 V HN 0.187 nan 8.190 nan 0.000 0.487 91 K N 4.657 125.046 120.400 -0.017 0.000 2.349 91 K HA 0.444 4.764 4.320 -0.000 0.000 0.288 91 K C -0.667 175.880 176.600 -0.089 0.000 1.058 91 K CA -0.175 56.087 56.287 -0.042 0.000 0.953 91 K CB 0.863 33.338 32.500 -0.042 0.000 0.997 91 K HN 0.651 nan 8.250 nan 0.000 0.477 92 V N 0.390 120.229 119.914 -0.125 0.000 3.130 92 V HA 0.597 4.717 4.120 -0.000 0.000 0.310 92 V C -0.754 175.198 176.094 -0.237 0.000 1.158 92 V CA -0.830 61.311 62.300 -0.264 0.000 1.029 92 V CB 1.985 33.546 31.823 -0.437 0.000 1.057 92 V HN 0.663 nan 8.190 nan 0.000 0.436 93 T N 3.342 117.708 114.554 -0.312 0.000 2.829 93 T HA 0.763 5.113 4.350 -0.000 0.000 0.280 93 T C -0.500 174.054 174.700 -0.242 0.000 0.999 93 T CA -0.145 61.827 62.100 -0.214 0.000 0.983 93 T CB 1.237 70.007 68.868 -0.164 0.000 0.968 93 T HN 0.690 nan 8.240 nan 0.000 0.446 94 I N 2.664 123.166 120.570 -0.114 0.000 2.447 94 I HA 0.349 4.519 4.170 -0.000 0.000 0.287 94 I C -0.238 175.868 176.117 -0.019 0.000 1.023 94 I CA -0.617 60.663 61.300 -0.033 0.000 1.083 94 I CB 1.852 39.892 38.000 0.067 0.000 1.245 94 I HN 0.546 nan 8.210 nan 0.000 0.434 95 E N 4.919 125.107 120.200 -0.021 0.000 2.186 95 E HA 0.252 4.602 4.350 -0.000 0.000 0.255 95 E C -1.047 175.558 176.600 0.009 0.000 0.881 95 E CA -0.664 55.730 56.400 -0.011 0.000 0.752 95 E CB 1.925 31.610 29.700 -0.024 0.000 1.176 95 E HN 0.351 nan 8.360 nan 0.000 0.421 96 N N 2.714 121.424 118.700 0.018 0.000 2.511 96 N HA 0.179 4.919 4.740 -0.000 0.000 0.249 96 N C -0.984 174.535 175.510 0.015 0.000 0.971 96 N CA -0.132 52.932 53.050 0.023 0.000 0.938 96 N CB 0.971 39.477 38.487 0.031 0.000 1.131 96 N HN 0.463 nan 8.380 nan 0.000 0.505 97 T N -0.601 113.962 114.554 0.015 0.000 2.807 97 T HA 0.346 4.696 4.350 -0.000 0.000 0.277 97 T C 0.841 175.517 174.700 -0.040 0.000 1.006 97 T CA -0.636 61.459 62.100 -0.007 0.000 1.006 97 T CB 1.160 70.030 68.868 0.004 0.000 1.274 97 T HN 0.397 nan 8.240 nan 0.000 0.569 98 E N -0.323 119.837 120.200 -0.067 0.000 2.152 98 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 98 E C 2.156 178.669 176.600 -0.145 0.000 0.983 98 E CA 0.591 56.941 56.400 -0.083 0.000 0.818 98 E CB 0.071 29.727 29.700 -0.074 0.000 0.758 98 E HN 0.558 nan 8.360 nan 0.000 0.467 99 R N -1.513 118.834 120.500 -0.254 0.000 2.090 99 R HA 0.079 4.419 4.340 -0.000 0.000 0.219 99 R C 0.017 175.962 176.300 -0.592 0.000 1.100 99 R CA 0.734 56.512 56.100 -0.537 0.000 0.991 99 R CB 0.421 30.206 30.300 -0.860 0.000 0.893 99 R HN 0.067 nan 8.270 nan 0.000 0.443 100 Y N -1.896 118.366 120.300 -0.063 0.000 2.615 100 Y HA 0.588 5.138 4.550 -0.000 0.000 0.341 100 Y C -0.885 174.958 175.900 -0.095 0.000 1.089 100 Y CA -1.579 56.461 58.100 -0.100 0.000 1.049 100 Y CB 2.042 40.433 38.460 -0.115 0.000 1.296 100 Y HN -0.128 nan 8.280 nan 0.000 0.470 101 A N 1.669 124.527 122.820 0.064 0.000 2.291 101 A HA 0.639 4.959 4.320 -0.000 0.000 0.311 101 A C -1.172 176.339 177.584 -0.123 0.000 1.224 101 A CA -0.519 51.505 52.037 -0.020 0.000 0.821 101 A CB 1.071 20.053 19.000 -0.031 0.000 1.172 101 A HN 0.748 nan 8.150 nan 0.000 0.494 102 E N 2.042 122.182 120.200 -0.101 0.000 2.256 102 E HA 0.595 4.945 4.350 -0.000 0.000 0.268 102 E C -1.964 174.584 176.600 -0.086 0.000 0.877 102 E CA -0.497 55.806 56.400 -0.162 0.000 0.757 102 E CB 1.412 31.013 29.700 -0.166 0.000 1.183 102 E HN 0.563 nan 8.360 nan 0.000 0.418 103 F N 4.334 124.119 119.950 -0.275 0.000 2.477 103 F HA 0.493 5.020 4.527 -0.000 0.000 0.335 103 F C -1.186 174.534 175.800 -0.134 0.000 1.130 103 F CA -0.637 57.257 58.000 -0.178 0.000 0.948 103 F CB 1.093 39.977 39.000 -0.193 0.000 1.154 103 F HN 0.293 nan 8.300 nan 0.000 0.439 104 K N 4.501 124.542 120.400 -0.598 0.000 2.397 104 K HA 0.562 4.882 4.320 -0.000 0.000 0.253 104 K C -1.590 174.736 176.600 -0.457 0.000 0.932 104 K CA -0.630 55.441 56.287 -0.360 0.000 0.795 104 K CB 1.842 34.206 32.500 -0.227 0.000 1.159 104 K HN 0.574 nan 8.250 nan 0.000 0.424 105 S N 3.102 118.663 115.700 -0.231 0.000 2.659 105 S HA 0.641 5.111 4.470 -0.000 0.000 0.312 105 S C 0.228 174.780 174.600 -0.080 0.000 1.114 105 S CA 0.518 58.628 58.200 -0.151 0.000 1.063 105 S CB 0.780 63.958 63.200 -0.038 0.000 0.996 105 S HN 1.074 nan 8.310 nan 0.000 0.478 106 G N 5.414 114.165 108.800 -0.082 0.000 2.561 106 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.289 106 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.289 106 G C 0.419 175.286 174.900 -0.055 0.000 1.169 106 G CA 0.648 45.714 45.100 -0.058 0.000 0.980 106 G HN 0.765 nan 8.290 nan 0.000 0.550 107 N N 0.029 118.707 118.700 -0.038 0.000 2.336 107 N HA 0.367 5.107 4.740 -0.000 0.000 0.189 107 N C 0.226 175.721 175.510 -0.026 0.000 1.113 107 N CA -0.065 52.965 53.050 -0.034 0.000 0.858 107 N CB 0.445 38.918 38.487 -0.022 0.000 0.970 107 N HN 0.404 nan 8.380 nan 0.000 0.471 108 L N 1.143 122.357 121.223 -0.016 0.000 2.296 108 L HA 0.451 4.791 4.340 -0.000 0.000 0.286 108 L C -0.285 176.598 176.870 0.021 0.000 1.023 108 L CA -0.566 54.286 54.840 0.019 0.000 0.812 108 L CB 1.226 43.315 42.059 0.050 0.000 1.223 108 L HN -0.066 nan 8.230 nan 0.000 0.421 109 S N 3.820 119.531 115.700 0.018 0.000 2.568 109 S HA 0.964 5.434 4.470 -0.000 0.000 0.293 109 S C -0.614 173.978 174.600 -0.012 0.000 1.089 109 S CA -0.427 57.766 58.200 -0.012 0.000 0.945 109 S CB 1.765 64.900 63.200 -0.108 0.000 1.077 109 S HN 1.007 nan 8.310 nan 0.000 0.485 110 A N 1.812 124.580 122.820 -0.087 0.000 2.304 110 A HA 0.811 5.131 4.320 -0.000 0.000 0.323 110 A C -0.133 177.135 177.584 -0.528 0.000 1.195 110 A CA -0.841 50.942 52.037 -0.422 0.000 0.826 110 A CB 0.825 19.573 19.000 -0.420 0.000 1.184 110 A HN 0.884 nan 8.150 nan 0.000 0.496 111 R N 2.250 122.401 120.500 -0.582 0.000 2.513 111 R HA 0.607 4.947 4.340 -0.000 0.000 0.301 111 R C -1.875 174.130 176.300 -0.493 0.000 0.968 111 R CA -0.358 55.443 56.100 -0.497 0.000 0.872 111 R CB 1.852 31.856 30.300 -0.493 0.000 1.177 111 R HN 0.506 nan 8.270 nan 0.000 0.444 112 V N 2.912 122.578 119.914 -0.414 0.000 2.459 112 V HA 0.337 4.457 4.120 -0.000 0.000 0.295 112 V C -0.187 175.764 176.094 -0.238 0.000 1.029 112 V CA -0.721 61.310 62.300 -0.447 0.000 0.874 112 V CB 1.910 33.456 31.823 -0.462 0.000 0.985 112 V HN 0.791 nan 8.190 nan 0.000 0.438 113 S N 4.621 120.155 115.700 -0.277 0.000 2.489 113 S HA 0.373 4.843 4.470 -0.000 0.000 0.277 113 S C 0.060 174.613 174.600 -0.078 0.000 1.230 113 S CA -0.640 57.535 58.200 -0.041 0.000 1.053 113 S CB 0.504 63.720 63.200 0.026 0.000 0.955 113 S HN 0.628 nan 8.310 nan 0.000 0.488 114 K N 1.621 122.002 120.400 -0.031 0.000 2.120 114 K HA 0.595 4.915 4.320 -0.000 0.000 0.245 114 K C 1.023 177.638 176.600 0.025 0.000 1.024 114 K CA 0.146 56.438 56.287 0.009 0.000 0.906 114 K CB 0.365 32.852 32.500 -0.023 0.000 1.051 114 K HN 0.855 nan 8.250 nan 0.000 0.491 115 G N 0.720 109.545 108.800 0.043 0.000 2.632 115 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.224 115 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.224 115 G C 0.611 175.499 174.900 -0.020 0.000 1.341 115 G CA 0.285 45.392 45.100 0.013 0.000 0.880 115 G HN 0.752 nan 8.290 nan 0.000 0.566 116 E N -0.864 119.236 120.200 -0.165 0.000 2.153 116 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 116 E C 0.455 176.723 176.600 -0.553 0.000 0.988 116 E CA 1.025 57.141 56.400 -0.474 0.000 0.811 116 E CB -0.083 29.090 29.700 -0.878 0.000 0.746 116 E HN 0.316 nan 8.360 nan 0.000 0.466 117 F N 0.879 120.884 119.950 0.093 0.000 2.334 117 F HA 0.186 4.713 4.527 -0.000 0.000 0.343 117 F C -0.061 175.819 175.800 0.134 0.000 1.136 117 F CA -0.981 57.081 58.000 0.103 0.000 1.237 117 F CB 0.181 39.215 39.000 0.056 0.000 1.525 117 F HN 0.073 nan 8.300 nan 0.000 0.528 118 W N 3.027 124.391 121.300 0.106 0.000 2.257 118 W HA 0.319 4.979 4.660 -0.000 0.000 0.337 118 W C -0.552 176.015 176.519 0.080 0.000 1.321 118 W CA 0.675 58.066 57.345 0.077 0.000 1.267 118 W CB 1.127 30.612 29.460 0.041 0.000 1.187 118 W HN 0.412 nan 8.180 nan 0.000 0.565 119 S N 6.664 122.006 115.700 -0.596 0.000 2.537 119 S HA 0.514 4.984 4.470 -0.000 0.000 0.271 119 S C -1.771 172.418 174.600 -0.684 0.000 1.148 119 S CA -0.904 57.054 58.200 -0.405 0.000 0.868 119 S CB 1.178 64.296 63.200 -0.136 0.000 1.115 119 S HN 0.544 nan 8.310 nan 0.000 0.461 120 L N 3.962 124.958 121.223 -0.379 0.000 2.342 120 L HA 0.624 4.964 4.340 -0.000 0.000 0.276 120 L C -1.543 175.122 176.870 -0.341 0.000 0.997 120 L CA -0.349 54.274 54.840 -0.361 0.000 0.838 120 L CB 1.049 43.050 42.059 -0.097 0.000 1.224 120 L HN 0.716 nan 8.230 nan 0.000 0.416 121 D N 4.744 124.855 120.400 -0.481 0.000 2.481 121 D HA 0.386 5.026 4.640 -0.000 0.000 0.244 121 D C -1.169 174.758 176.300 -0.621 0.000 1.057 121 D CA -0.097 53.662 54.000 -0.402 0.000 0.848 121 D CB 2.388 43.023 40.800 -0.275 0.000 1.388 121 D HN 0.208 nan 8.370 nan 0.000 0.475 122 F N 1.623 121.512 119.950 -0.103 0.000 2.402 122 F HA 0.313 4.840 4.527 -0.000 0.000 0.355 122 F C -0.210 175.511 175.800 -0.132 0.000 1.123 122 F CA -0.781 57.154 58.000 -0.110 0.000 1.021 122 F CB 1.019 39.952 39.000 -0.112 0.000 1.160 122 F HN -0.047 nan 8.300 nan 0.000 0.451 123 L N 3.339 124.561 121.223 -0.002 0.000 2.346 123 L HA 0.536 4.876 4.340 -0.000 0.000 0.274 123 L C -0.182 176.677 176.870 -0.019 0.000 1.007 123 L CA -0.969 53.844 54.840 -0.044 0.000 0.818 123 L CB 1.805 43.800 42.059 -0.107 0.000 1.284 123 L HN 0.577 nan 8.230 nan 0.000 0.424 124 R N 2.185 122.674 120.500 -0.020 0.000 2.246 124 R HA 0.325 4.665 4.340 -0.000 0.000 0.332 124 R C -0.071 176.214 176.300 -0.025 0.000 0.974 124 R CA -0.218 55.875 56.100 -0.012 0.000 0.837 124 R CB 0.036 30.339 30.300 0.005 0.000 1.145 124 R HN 0.742 nan 8.270 nan 0.000 0.467 125 N N 3.298 121.978 118.700 -0.034 0.000 2.716 125 N HA -0.258 4.482 4.740 -0.000 0.000 0.250 125 N C 0.502 175.982 175.510 -0.049 0.000 1.033 125 N CA 0.805 53.831 53.050 -0.041 0.000 0.727 125 N CB -0.587 37.882 38.487 -0.030 0.000 0.950 125 N HN 1.067 nan 8.380 nan 0.000 0.541 126 G N -1.659 107.102 108.800 -0.066 0.000 2.179 126 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 126 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 126 G C -0.253 174.604 174.900 -0.073 0.000 0.977 126 G CA 0.430 45.480 45.100 -0.082 0.000 0.641 126 G HN 0.411 nan 8.290 nan 0.000 0.533 127 E N 0.186 120.355 120.200 -0.052 0.000 2.191 127 E HA 0.432 4.782 4.350 -0.000 0.000 0.278 127 E C 0.320 176.896 176.600 -0.040 0.000 0.972 127 E CA -0.932 55.443 56.400 -0.041 0.000 0.804 127 E CB 1.317 31.004 29.700 -0.022 0.000 1.110 127 E HN 0.403 nan 8.360 nan 0.000 0.394 128 R N 3.315 123.790 120.500 -0.041 0.000 2.296 128 R HA 0.129 4.469 4.340 -0.000 0.000 0.323 128 R C 1.203 177.492 176.300 -0.018 0.000 1.067 128 R CA 0.065 56.142 56.100 -0.038 0.000 0.946 128 R CB -0.027 30.247 30.300 -0.044 0.000 0.991 128 R HN 0.634 nan 8.270 nan 0.000 0.448 129 I N -0.219 120.331 120.570 -0.034 0.000 3.462 129 I HA 0.250 4.420 4.170 -0.000 0.000 0.290 129 I C 0.603 176.637 176.117 -0.138 0.000 1.236 129 I CA -0.090 61.169 61.300 -0.067 0.000 1.418 129 I CB 0.649 38.572 38.000 -0.128 0.000 1.102 129 I HN 0.482 nan 8.210 nan 0.000 0.441 130 T N -0.953 113.543 114.554 -0.096 0.000 2.658 130 T HA 0.679 5.029 4.350 -0.000 0.000 0.305 130 T C -0.951 173.850 174.700 0.168 0.000 1.551 130 T CA 0.039 62.138 62.100 -0.001 0.000 0.985 130 T CB 1.266 70.059 68.868 -0.125 0.000 1.731 130 T HN 0.593 nan 8.240 nan 0.000 0.486 131 G N 0.419 109.354 108.800 0.224 0.000 2.321 131 G HA2 0.495 4.455 3.960 -0.000 0.000 0.296 131 G HA3 0.495 4.455 3.960 -0.000 0.000 0.296 131 G C -1.490 173.528 174.900 0.196 0.000 1.287 131 G CA 0.330 45.593 45.100 0.271 0.000 0.846 131 G HN 0.999 nan 8.290 nan 0.000 0.508 132 S N -0.513 115.278 115.700 0.152 0.000 2.552 132 S HA 0.573 5.043 4.470 -0.000 0.000 0.314 132 S C -0.281 174.388 174.600 0.114 0.000 1.099 132 S CA -0.411 57.863 58.200 0.124 0.000 1.070 132 S CB 1.128 64.428 63.200 0.166 0.000 0.998 132 S HN 0.539 nan 8.310 nan 0.000 0.474 133 Q N 2.073 121.923 119.800 0.083 0.000 2.306 133 Q HA 0.336 4.676 4.340 -0.000 0.000 0.241 133 Q C 0.004 176.082 176.000 0.129 0.000 0.948 133 Q CA -0.568 55.293 55.803 0.096 0.000 0.886 133 Q CB 1.474 30.238 28.738 0.042 0.000 1.227 133 Q HN 0.610 nan 8.270 nan 0.000 0.457 134 V N 3.181 123.221 119.914 0.211 0.000 2.720 134 V HA -0.168 3.952 4.120 -0.000 0.000 0.307 134 V C 0.312 176.343 176.094 -0.104 0.000 1.071 134 V CA 1.223 63.607 62.300 0.140 0.000 1.199 134 V CB -0.300 31.638 31.823 0.191 0.000 0.900 134 V HN 0.891 nan 8.190 nan 0.000 0.494 135 K N 3.188 123.405 120.400 -0.305 0.000 3.446 135 K HA -0.166 4.154 4.320 -0.000 0.000 0.312 135 K C 0.644 176.950 176.600 -0.489 0.000 1.329 135 K CA 1.205 57.061 56.287 -0.718 0.000 0.935 135 K CB -1.397 30.724 32.500 -0.631 0.000 1.281 135 K HN 0.861 nan 8.250 nan 0.000 0.457 136 N N 0.946 119.512 118.700 -0.223 0.000 2.236 136 N HA 0.023 4.763 4.740 -0.000 0.000 0.196 136 N C -0.090 175.175 175.510 -0.408 0.000 1.114 136 N CA 0.281 53.264 53.050 -0.112 0.000 0.859 136 N CB 0.227 38.676 38.487 -0.064 0.000 0.982 136 N HN 0.547 nan 8.380 nan 0.000 0.493 137 N N -1.113 117.258 118.700 -0.548 0.000 2.629 137 N HA 0.672 5.412 4.740 -0.000 0.000 0.279 137 N C -0.039 175.009 175.510 -0.771 0.000 1.344 137 N CA -0.716 51.721 53.050 -1.021 0.000 0.789 137 N CB 2.583 40.736 38.487 -0.557 0.000 1.508 137 N HN -0.096 nan 8.380 nan 0.000 0.516 138 G N -0.719 107.608 108.800 -0.789 0.000 2.291 138 G HA2 0.031 3.991 3.960 -0.000 0.000 0.249 138 G HA3 0.031 3.991 3.960 -0.000 0.000 0.249 138 G C -2.467 172.544 174.900 0.184 0.000 1.340 138 G CA -0.801 44.090 45.100 -0.349 0.000 1.017 138 G HN 0.643 nan 8.290 nan 0.000 0.470 139 Y N 0.150 120.558 120.300 0.180 0.000 2.393 139 Y HA 0.680 5.230 4.550 -0.000 0.000 0.341 139 Y C -0.253 175.681 175.900 0.057 0.000 0.988 139 Y CA -1.011 57.165 58.100 0.127 0.000 1.078 139 Y CB 2.243 40.677 38.460 -0.044 0.000 1.203 139 Y HN 0.520 nan 8.280 nan 0.000 0.453 140 V N 6.524 126.268 119.914 -0.285 0.000 2.384 140 V HA 0.323 4.443 4.120 -0.000 0.000 0.287 140 V C -0.637 175.168 176.094 -0.481 0.000 1.020 140 V CA -0.808 61.318 62.300 -0.290 0.000 0.850 140 V CB 1.398 33.127 31.823 -0.156 0.000 0.987 140 V HN 0.750 nan 8.190 nan 0.000 0.436 141 Q N 3.382 122.964 119.800 -0.364 0.000 2.400 141 Q HA 0.250 4.590 4.340 -0.000 0.000 0.255 141 Q C -0.873 175.051 176.000 -0.128 0.000 1.008 141 Q CA -0.561 55.070 55.803 -0.288 0.000 0.841 141 Q CB 1.093 29.722 28.738 -0.181 0.000 1.220 141 Q HN 0.769 nan 8.270 nan 0.000 0.474 142 D N 3.247 123.609 120.400 -0.062 0.000 2.393 142 D HA 0.015 4.655 4.640 -0.000 0.000 0.232 142 D C 0.947 177.234 176.300 -0.020 0.000 1.192 142 D CA -0.020 53.973 54.000 -0.011 0.000 0.882 142 D CB 1.207 42.068 40.800 0.103 0.000 1.038 142 D HN 0.691 nan 8.370 nan 0.000 0.499 143 T N 0.786 115.324 114.554 -0.027 0.000 3.118 143 T HA -0.042 4.308 4.350 -0.000 0.000 0.260 143 T C 1.199 175.892 174.700 -0.012 0.000 1.139 143 T CA 0.286 62.376 62.100 -0.017 0.000 1.085 143 T CB 0.087 68.945 68.868 -0.015 0.000 0.934 143 T HN 0.186 nan 8.240 nan 0.000 0.518 144 N N 3.035 121.727 118.700 -0.013 0.000 2.207 144 N HA -0.040 4.700 4.740 -0.000 0.000 0.182 144 N C 1.272 176.780 175.510 -0.004 0.000 1.020 144 N CA 1.460 54.504 53.050 -0.010 0.000 0.858 144 N CB -0.207 38.270 38.487 -0.016 0.000 0.991 144 N HN 0.747 nan 8.380 nan 0.000 0.427 145 N N -0.035 118.665 118.700 0.002 0.000 2.194 145 N HA 0.014 4.754 4.740 -0.000 0.000 0.231 145 N C -0.473 175.034 175.510 -0.005 0.000 1.247 145 N CA 0.064 53.116 53.050 0.003 0.000 0.884 145 N CB 0.330 38.825 38.487 0.014 0.000 1.146 145 N HN -0.203 nan 8.380 nan 0.000 0.516 146 Q N -0.850 118.944 119.800 -0.010 0.000 2.489 146 Q HA -0.218 4.122 4.340 -0.000 0.000 0.259 146 Q C -0.792 175.176 176.000 -0.054 0.000 0.934 146 Q CA 0.965 56.755 55.803 -0.021 0.000 1.131 146 Q CB -2.301 26.432 28.738 -0.008 0.000 1.472 146 Q HN 0.672 nan 8.270 nan 0.000 0.560 147 R N 0.745 121.193 120.500 -0.087 0.000 2.668 147 R HA 0.604 4.944 4.340 -0.000 0.000 0.279 147 R C 0.179 176.253 176.300 -0.377 0.000 0.976 147 R CA -0.728 55.229 56.100 -0.238 0.000 0.978 147 R CB 0.955 31.074 30.300 -0.302 0.000 1.133 147 R HN 0.049 nan 8.270 nan 0.000 0.484 148 N N 1.389 119.758 118.700 -0.552 0.000 2.269 148 N HA 0.368 5.108 4.740 -0.000 0.000 0.304 148 N C -1.344 173.713 175.510 -0.755 0.000 1.072 148 N CA -0.488 52.211 53.050 -0.585 0.000 0.802 148 N CB 1.979 40.217 38.487 -0.416 0.000 1.348 148 N HN 0.410 nan 8.380 nan 0.000 0.484 149 Y N -0.020 120.079 120.300 -0.335 0.000 2.576 149 Y HA 0.525 5.075 4.550 -0.000 0.000 0.346 149 Y C 0.122 175.973 175.900 -0.080 0.000 1.018 149 Y CA -1.114 56.882 58.100 -0.173 0.000 1.050 149 Y CB 1.729 40.095 38.460 -0.158 0.000 1.280 149 Y HN 0.135 nan 8.280 nan 0.000 0.474 150 M N 3.085 122.797 119.600 0.187 0.000 2.436 150 M HA 0.466 4.946 4.480 -0.000 0.000 0.331 150 M C -1.078 175.356 176.300 0.223 0.000 1.135 150 M CA -0.731 54.706 55.300 0.227 0.000 0.987 150 M CB 1.451 34.153 32.600 0.170 0.000 1.687 150 M HN 0.726 nan 8.290 nan 0.000 0.445 151 F N 0.294 120.224 119.950 -0.033 0.000 2.643 151 F HA 0.902 5.428 4.527 -0.000 0.000 0.314 151 F C -1.105 174.555 175.800 -0.233 0.000 1.096 151 F CA -1.013 56.899 58.000 -0.146 0.000 0.953 151 F CB 1.559 40.461 39.000 -0.163 0.000 1.345 151 F HN 0.559 nan 8.300 nan 0.000 0.468 152 E N 0.768 120.571 120.200 -0.661 0.000 2.390 152 E HA 0.586 4.936 4.350 -0.000 0.000 0.277 152 E C -1.829 174.301 176.600 -0.783 0.000 0.939 152 E CA -0.762 55.118 56.400 -0.866 0.000 0.769 152 E CB 2.026 31.124 29.700 -1.003 0.000 1.251 152 E HN 0.735 nan 8.360 nan 0.000 0.450 153 R N 3.163 123.380 120.500 -0.472 0.000 2.500 153 R HA 0.463 4.803 4.340 -0.000 0.000 0.299 153 R C -0.776 175.444 176.300 -0.135 0.000 1.038 153 R CA -0.669 55.278 56.100 -0.256 0.000 0.903 153 R CB 1.058 31.307 30.300 -0.084 0.000 1.177 153 R HN 0.426 nan 8.270 nan 0.000 0.455 154 L N 3.023 124.220 121.223 -0.043 0.000 2.282 154 L HA 0.325 4.665 4.340 -0.000 0.000 0.288 154 L C -0.120 176.822 176.870 0.119 0.000 1.033 154 L CA -0.966 53.934 54.840 0.101 0.000 0.807 154 L CB 1.429 43.627 42.059 0.231 0.000 1.209 154 L HN 0.402 nan 8.230 nan 0.000 0.423 155 D N 3.401 123.867 120.400 0.110 0.000 2.423 155 D HA 0.315 4.955 4.640 -0.000 0.000 0.238 155 D C -0.218 176.157 176.300 0.125 0.000 1.142 155 D CA 0.347 54.400 54.000 0.088 0.000 0.884 155 D CB 1.124 41.965 40.800 0.067 0.000 1.199 155 D HN 0.227 nan 8.370 nan 0.000 0.438 156 L N 1.180 122.454 121.223 0.085 0.000 2.346 156 L HA 0.509 4.849 4.340 -0.000 0.000 0.276 156 L C 1.099 178.007 176.870 0.063 0.000 1.006 156 L CA -0.811 54.081 54.840 0.087 0.000 0.817 156 L CB 1.956 44.034 42.059 0.033 0.000 1.272 156 L HN 0.338 nan 8.230 nan 0.000 0.421 157 G N 1.676 110.521 108.800 0.075 0.000 2.588 157 G HA2 0.418 4.378 3.960 -0.000 0.000 0.281 157 G HA3 0.418 4.378 3.960 -0.000 0.000 0.281 157 G C -0.273 174.648 174.900 0.035 0.000 1.236 157 G CA -0.550 44.581 45.100 0.052 0.000 0.969 157 G HN 0.292 nan 8.290 nan 0.000 0.504 158 V N 0.850 120.780 119.914 0.027 0.000 2.540 158 V HA 0.377 4.497 4.120 -0.000 0.000 0.297 158 V C 1.678 177.788 176.094 0.027 0.000 1.024 158 V CA 1.656 63.969 62.300 0.022 0.000 1.105 158 V CB 0.345 32.179 31.823 0.017 0.000 0.938 158 V HN 1.747 nan 8.190 nan 0.000 0.482 159 G N 3.632 112.448 108.800 0.027 0.000 2.189 159 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.267 159 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.267 159 G C 0.284 175.194 174.900 0.016 0.000 0.975 159 G CA 0.483 45.602 45.100 0.032 0.000 0.644 159 G HN 0.804 nan 8.290 nan 0.000 0.537 160 E N 1.813 122.022 120.200 0.015 0.000 2.299 160 E HA 0.438 4.788 4.350 -0.000 0.000 0.272 160 E C 0.765 177.337 176.600 -0.047 0.000 1.043 160 E CA 0.425 56.829 56.400 0.007 0.000 0.895 160 E CB 0.234 29.961 29.700 0.044 0.000 1.011 160 E HN 0.422 nan 8.360 nan 0.000 0.432 161 T N 0.452 114.956 114.554 -0.083 0.000 2.895 161 T HA 0.543 4.893 4.350 -0.000 0.000 0.283 161 T C -0.180 174.335 174.700 -0.310 0.000 1.014 161 T CA -0.948 61.006 62.100 -0.243 0.000 1.037 161 T CB 1.569 70.207 68.868 -0.383 0.000 1.006 161 T HN 0.126 nan 8.240 nan 0.000 0.468 162 V N 2.651 122.254 119.914 -0.518 0.000 2.547 162 V HA 0.617 4.737 4.120 -0.000 0.000 0.299 162 V C -1.149 174.519 176.094 -0.710 0.000 1.040 162 V CA -0.874 61.156 62.300 -0.449 0.000 0.913 162 V CB 0.786 32.379 31.823 -0.382 0.000 0.992 162 V HN 0.960 nan 8.190 nan 0.000 0.449 163 Y N 1.121 121.307 120.300 -0.190 0.000 2.581 163 Y HA 0.838 5.388 4.550 -0.000 0.000 0.345 163 Y C 0.763 176.547 175.900 -0.194 0.000 1.036 163 Y CA 0.213 58.201 58.100 -0.186 0.000 1.042 163 Y CB 2.289 40.646 38.460 -0.171 0.000 1.289 163 Y HN 1.001 nan 8.280 nan 0.000 0.471 164 G N 0.242 109.028 108.800 -0.023 0.000 2.601 164 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.224 164 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.224 164 G C -0.094 174.726 174.900 -0.134 0.000 1.171 164 G CA -0.243 44.819 45.100 -0.063 0.000 1.009 164 G HN 1.187 nan 8.290 nan 0.000 0.589 165 L N 0.048 121.188 121.223 -0.137 0.000 4.496 165 L HA 0.011 4.351 4.340 -0.000 0.000 0.419 165 L C 1.424 178.226 176.870 -0.113 0.000 1.139 165 L CA 1.603 56.330 54.840 -0.189 0.000 0.975 165 L CB -1.757 40.095 42.059 -0.345 0.000 2.099 165 L HN 2.856 nan 8.230 nan 0.000 0.818 166 G N -0.169 108.574 108.800 -0.094 0.000 2.409 166 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.421 166 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.421 166 G C -0.642 174.112 174.900 -0.244 0.000 1.259 166 G CA 0.003 45.028 45.100 -0.126 0.000 1.011 166 G HN 0.288 nan 8.290 nan 0.000 0.497 167 E N 0.933 120.944 120.200 -0.314 0.000 1.996 167 E HA 0.463 4.813 4.350 -0.000 0.000 0.280 167 E C 0.398 176.633 176.600 -0.609 0.000 1.092 167 E CA -0.266 55.853 56.400 -0.469 0.000 0.862 167 E CB 0.082 29.547 29.700 -0.391 0.000 1.066 167 E HN 0.475 nan 8.360 nan 0.000 0.396 168 R N 3.389 123.490 120.500 -0.666 0.000 2.803 168 R HA 0.358 4.698 4.340 -0.000 0.000 0.276 168 R C -0.265 175.583 176.300 -0.753 0.000 0.978 168 R CA -0.696 55.036 56.100 -0.613 0.000 0.939 168 R CB 0.900 31.039 30.300 -0.268 0.000 1.179 168 R HN 0.485 nan 8.270 nan 0.000 0.472 169 F N -0.413 119.507 119.950 -0.050 0.000 2.661 169 F HA 0.084 4.611 4.527 -0.000 0.000 0.306 169 F C 1.267 177.052 175.800 -0.025 0.000 1.094 169 F CA -0.457 57.525 58.000 -0.030 0.000 1.254 169 F CB 0.459 39.459 39.000 -0.000 0.000 1.040 169 F HN 0.475 nan 8.300 nan 0.000 0.562 170 T N -0.900 113.693 114.554 0.065 0.000 2.729 170 T HA 0.603 4.953 4.350 -0.000 0.000 0.298 170 T C 0.734 175.428 174.700 -0.009 0.000 1.013 170 T CA -0.589 61.529 62.100 0.030 0.000 0.957 170 T CB 0.716 69.583 68.868 -0.001 0.000 1.130 170 T HN 0.170 nan 8.240 nan 0.000 0.526 171 A N 0.492 123.302 122.820 -0.015 0.000 2.587 171 A HA 0.220 4.540 4.320 -0.000 0.000 0.235 171 A C 1.406 178.960 177.584 -0.051 0.000 1.044 171 A CA -0.350 51.673 52.037 -0.023 0.000 0.754 171 A CB -0.641 18.348 19.000 -0.018 0.000 0.968 171 A HN 1.004 nan 8.150 nan 0.000 0.509 172 L N 4.175 125.374 121.223 -0.039 0.000 2.013 172 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 172 L C 0.996 177.783 176.870 -0.138 0.000 1.073 172 L CA 1.873 56.681 54.840 -0.054 0.000 0.753 172 L CB -0.320 41.746 42.059 0.013 0.000 0.890 172 L HN 0.473 nan 8.230 nan 0.000 0.432 173 V N 0.740 120.544 119.914 -0.183 0.000 2.488 173 V HA 0.079 4.199 4.120 -0.000 0.000 0.277 173 V C 1.355 177.280 176.094 -0.283 0.000 1.046 173 V CA -0.049 61.999 62.300 -0.421 0.000 0.986 173 V CB 1.079 32.666 31.823 -0.393 0.000 0.989 173 V HN 0.308 nan 8.190 nan 0.000 0.475 174 R N 2.745 123.031 120.500 -0.357 0.000 2.275 174 R HA 0.093 4.433 4.340 -0.000 0.000 0.199 174 R C 0.454 176.637 176.300 -0.196 0.000 0.989 174 R CA 0.047 55.996 56.100 -0.251 0.000 1.016 174 R CB -0.214 29.913 30.300 -0.288 0.000 0.918 174 R HN 0.743 nan 8.270 nan 0.000 0.473 175 N N 0.323 118.903 118.700 -0.200 0.000 2.374 175 N HA 0.090 4.830 4.740 -0.000 0.000 0.269 175 N C 0.764 176.223 175.510 -0.086 0.000 1.310 175 N CA 1.485 54.454 53.050 -0.135 0.000 0.877 175 N CB 0.681 39.104 38.487 -0.108 0.000 1.096 175 N HN 0.332 nan 8.380 nan 0.000 0.484 176 G N 1.155 109.910 108.800 -0.076 0.000 2.201 176 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.212 176 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.212 176 G C -0.156 174.715 174.900 -0.049 0.000 0.994 176 G CA -0.446 44.621 45.100 -0.055 0.000 0.644 176 G HN 0.555 nan 8.290 nan 0.000 0.508 177 Q N 0.993 120.758 119.800 -0.059 0.000 2.256 177 Q HA 0.561 4.901 4.340 -0.000 0.000 0.257 177 Q C 0.167 176.150 176.000 -0.027 0.000 0.936 177 Q CA 0.066 55.842 55.803 -0.045 0.000 0.903 177 Q CB 1.881 30.581 28.738 -0.062 0.000 1.263 177 Q HN 0.326 nan 8.270 nan 0.000 0.440 178 T N -0.402 114.147 114.554 -0.007 0.000 2.856 178 T HA 0.477 4.827 4.350 -0.000 0.000 0.292 178 T C -0.603 174.123 174.700 0.043 0.000 0.980 178 T CA -0.634 61.480 62.100 0.023 0.000 1.091 178 T CB 1.043 69.920 68.868 0.016 0.000 0.936 178 T HN 0.396 nan 8.240 nan 0.000 0.503 179 V N 3.612 123.586 119.914 0.099 0.000 2.577 179 V HA 0.627 4.747 4.120 -0.000 0.000 0.303 179 V C -1.088 175.144 176.094 0.230 0.000 1.042 179 V CA -0.707 61.661 62.300 0.113 0.000 0.872 179 V CB 1.910 33.740 31.823 0.011 0.000 0.998 179 V HN 0.964 nan 8.190 nan 0.000 0.423 180 E N 3.985 124.299 120.200 0.190 0.000 2.134 180 E HA 0.306 4.656 4.350 -0.000 0.000 0.278 180 E C 0.103 176.885 176.600 0.303 0.000 0.959 180 E CA -0.231 56.305 56.400 0.226 0.000 0.783 180 E CB 1.663 31.448 29.700 0.142 0.000 1.095 180 E HN 0.922 nan 8.360 nan 0.000 0.399 181 T N 1.107 115.893 114.554 0.387 0.000 3.414 181 T HA 0.261 4.611 4.350 -0.000 0.000 0.304 181 T C -0.215 174.804 174.700 0.532 0.000 1.241 181 T CA -0.728 61.617 62.100 0.408 0.000 1.076 181 T CB -0.228 68.904 68.868 0.440 0.000 1.134 181 T HN 0.415 nan 8.240 nan 0.000 0.759 182 W N 4.030 125.463 121.300 0.223 0.000 2.934 182 W HA 0.281 4.941 4.660 -0.000 0.000 0.333 182 W C -1.388 175.320 176.519 0.315 0.000 1.035 182 W CA -0.962 56.535 57.345 0.254 0.000 1.256 182 W CB 1.337 30.878 29.460 0.134 0.000 1.306 182 W HN 0.365 nan 8.180 nan 0.000 0.430 183 N N 5.040 123.845 118.700 0.174 0.000 2.412 183 N HA 0.152 4.892 4.740 -0.000 0.000 0.258 183 N C -0.303 175.348 175.510 0.236 0.000 1.236 183 N CA 0.644 53.786 53.050 0.154 0.000 0.882 183 N CB 0.634 39.125 38.487 0.007 0.000 1.066 183 N HN 0.355 nan 8.380 nan 0.000 0.465 184 R N 0.413 121.049 120.500 0.227 0.000 2.740 184 R HA 0.211 4.551 4.340 -0.000 0.000 0.273 184 R C -1.292 175.110 176.300 0.170 0.000 0.998 184 R CA -0.829 55.415 56.100 0.241 0.000 0.900 184 R CB 1.615 32.062 30.300 0.244 0.000 1.223 184 R HN 0.389 nan 8.270 nan 0.000 0.466 185 D N 0.957 121.493 120.400 0.226 0.000 2.479 185 D HA 0.238 4.878 4.640 -0.000 0.000 0.218 185 D C 0.210 176.572 176.300 0.102 0.000 1.131 185 D CA -0.078 54.051 54.000 0.215 0.000 0.916 185 D CB 0.786 41.779 40.800 0.322 0.000 1.022 185 D HN 0.738 nan 8.370 nan 0.000 0.515 186 G N 1.737 110.480 108.800 -0.095 0.000 3.596 186 G HA2 0.508 4.468 3.960 -0.000 0.000 0.274 186 G HA3 0.508 4.468 3.960 -0.000 0.000 0.274 186 G C 0.813 175.645 174.900 -0.114 0.000 1.007 186 G CA 0.138 45.208 45.100 -0.051 0.000 0.825 186 G HN 0.852 nan 8.290 nan 0.000 0.508 187 G N 0.312 109.009 108.800 -0.171 0.000 2.593 187 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.237 187 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.237 187 G C 0.717 175.368 174.900 -0.415 0.000 1.312 187 G CA 0.792 45.804 45.100 -0.147 0.000 0.896 187 G HN 1.229 nan 8.290 nan 0.000 0.574 188 T N -3.520 110.742 114.554 -0.485 0.000 3.200 188 T HA 0.566 4.916 4.350 -0.000 0.000 0.284 188 T C 1.215 175.458 174.700 -0.762 0.000 1.009 188 T CA 1.097 62.488 62.100 -1.181 0.000 0.907 188 T CB 0.075 68.394 68.868 -0.916 0.000 1.120 188 T HN 1.853 nan 8.240 nan 0.000 0.534 189 S N 0.245 115.775 115.700 -0.284 0.000 2.819 189 S HA 0.362 4.832 4.470 -0.000 0.000 0.249 189 S C 0.587 175.206 174.600 0.032 0.000 1.030 189 S CA 0.003 58.179 58.200 -0.040 0.000 1.052 189 S CB 0.179 63.425 63.200 0.078 0.000 1.017 189 S HN 0.709 nan 8.310 nan 0.000 0.576 190 T N -0.892 113.680 114.554 0.032 0.000 2.742 190 T HA 0.488 4.838 4.350 -0.000 0.000 0.282 190 T C 0.626 175.394 174.700 0.113 0.000 1.025 190 T CA -0.209 61.932 62.100 0.069 0.000 1.020 190 T CB 1.420 70.318 68.868 0.050 0.000 1.317 190 T HN 0.001 nan 8.240 nan 0.000 0.538 191 E N 0.095 120.349 120.200 0.089 0.000 2.427 191 E HA -0.015 4.335 4.350 -0.000 0.000 0.196 191 E C 0.269 176.928 176.600 0.099 0.000 1.028 191 E CA 0.415 56.868 56.400 0.087 0.000 0.864 191 E CB -0.219 29.519 29.700 0.062 0.000 0.813 191 E HN 0.735 nan 8.360 nan 0.000 0.514 192 Q N 0.302 120.161 119.800 0.098 0.000 2.312 192 Q HA 0.575 4.915 4.340 -0.000 0.000 0.236 192 Q C -0.627 175.422 176.000 0.082 0.000 0.965 192 Q CA -0.151 55.706 55.803 0.089 0.000 0.894 192 Q CB 1.498 30.275 28.738 0.065 0.000 1.225 192 Q HN 0.258 nan 8.270 nan 0.000 0.478 193 A N 0.670 123.523 122.820 0.056 0.000 2.515 193 A HA 0.442 4.762 4.320 -0.000 0.000 0.298 193 A C -1.054 176.545 177.584 0.024 0.000 1.059 193 A CA -0.676 51.384 52.037 0.038 0.000 0.698 193 A CB 0.498 19.523 19.000 0.040 0.000 1.289 193 A HN 0.786 nan 8.150 nan 0.000 0.404 194 Y N 0.698 121.100 120.300 0.170 0.000 2.395 194 Y HA 0.083 4.633 4.550 -0.000 0.000 0.293 194 Y C 0.770 176.723 175.900 0.089 0.000 1.123 194 Y CA 1.178 59.351 58.100 0.123 0.000 1.227 194 Y CB 0.115 38.637 38.460 0.104 0.000 1.012 194 Y HN 0.498 nan 8.280 nan 0.000 0.552 195 K N 1.597 122.121 120.400 0.208 0.000 2.540 195 K HA 0.218 4.538 4.320 -0.000 0.000 0.218 195 K C -1.006 175.608 176.600 0.023 0.000 1.017 195 K CA -0.264 56.063 56.287 0.066 0.000 1.029 195 K CB 0.487 32.926 32.500 -0.101 0.000 1.348 195 K HN 0.097 nan 8.250 nan 0.000 0.508 196 N N 3.401 122.164 118.700 0.105 0.000 2.479 196 N HA 0.388 5.128 4.740 -0.000 0.000 0.285 196 N C -0.624 174.978 175.510 0.154 0.000 1.075 196 N CA -0.240 52.886 53.050 0.128 0.000 0.967 196 N CB 1.525 40.138 38.487 0.210 0.000 1.137 196 N HN 0.289 nan 8.380 nan 0.000 0.472 197 I N 2.804 123.450 120.570 0.127 0.000 2.534 197 I HA 0.221 4.391 4.170 -0.000 0.000 0.286 197 I C -2.259 173.948 176.117 0.150 0.000 1.094 197 I CA -1.981 59.408 61.300 0.148 0.000 1.055 197 I CB 2.018 40.103 38.000 0.141 0.000 1.225 197 I HN 0.198 nan 8.210 nan 0.000 0.435 198 P HA 0.120 nan 4.420 nan 0.000 0.237 198 P C -0.549 176.915 177.300 0.274 0.000 1.723 198 P CA 0.253 63.570 63.100 0.361 0.000 0.882 198 P CB -0.647 31.388 31.700 0.557 0.000 1.810 199 F N 2.582 122.485 119.950 -0.078 0.000 2.529 199 F HA 0.527 5.054 4.527 -0.000 0.000 0.320 199 F C -1.152 174.518 175.800 -0.217 0.000 1.118 199 F CA -1.459 56.419 58.000 -0.203 0.000 0.915 199 F CB 1.457 40.189 39.000 -0.447 0.000 1.161 199 F HN -0.057 nan 8.300 nan 0.000 0.445 200 Y N 5.732 125.413 120.300 -1.032 0.000 2.536 200 Y HA 0.810 5.360 4.550 -0.000 0.000 0.347 200 Y C -1.144 174.047 175.900 -1.181 0.000 1.000 200 Y CA -1.712 55.840 58.100 -0.913 0.000 1.051 200 Y CB 1.526 39.665 38.460 -0.535 0.000 1.259 200 Y HN 0.758 nan 8.280 nan 0.000 0.468 201 M N 1.748 120.992 119.600 -0.594 0.000 2.658 201 M HA 0.838 5.318 4.480 -0.000 0.000 0.295 201 M C -1.059 175.162 176.300 -0.131 0.000 1.248 201 M CA -0.753 54.275 55.300 -0.453 0.000 0.843 201 M CB 2.506 34.900 32.600 -0.342 0.000 1.749 201 M HN 0.851 nan 8.290 nan 0.000 0.464 202 T N -2.300 112.084 114.554 -0.283 0.000 2.926 202 T HA 0.397 4.747 4.350 -0.000 0.000 0.289 202 T C 0.402 175.035 174.700 -0.111 0.000 1.054 202 T CA -0.684 61.329 62.100 -0.144 0.000 1.015 202 T CB 1.172 69.850 68.868 -0.315 0.000 1.167 202 T HN 0.839 nan 8.240 nan 0.000 0.526 203 N N 0.126 118.839 118.700 0.022 0.000 2.501 203 N HA -0.026 4.714 4.740 -0.000 0.000 0.195 203 N C 0.952 176.451 175.510 -0.018 0.000 1.213 203 N CA 0.002 53.044 53.050 -0.013 0.000 0.864 203 N CB -0.337 38.175 38.487 0.041 0.000 0.999 203 N HN 0.661 nan 8.380 nan 0.000 0.454 204 R N -0.288 120.195 120.500 -0.028 0.000 2.393 204 R HA 0.162 4.502 4.340 -0.000 0.000 0.244 204 R C 0.245 176.602 176.300 0.095 0.000 0.920 204 R CA 0.458 56.602 56.100 0.074 0.000 1.076 204 R CB -0.047 30.384 30.300 0.218 0.000 1.119 204 R HN 0.333 nan 8.270 nan 0.000 0.524 205 G N 1.090 109.877 108.800 -0.023 0.000 2.182 205 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.248 205 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.248 205 G C -0.473 174.478 174.900 0.086 0.000 1.042 205 G CA 0.724 45.828 45.100 0.007 0.000 0.775 205 G HN 0.486 nan 8.290 nan 0.000 0.501 206 Y N -2.167 118.118 120.300 -0.025 0.000 2.638 206 Y HA 0.862 5.412 4.550 -0.000 0.000 0.339 206 Y C 0.431 176.262 175.900 -0.114 0.000 1.084 206 Y CA -1.265 56.805 58.100 -0.049 0.000 1.068 206 Y CB 0.982 39.413 38.460 -0.049 0.000 1.294 206 Y HN 0.638 nan 8.280 nan 0.000 0.480 207 G N -0.193 108.573 108.800 -0.057 0.000 2.818 207 G HA2 0.623 4.583 3.960 -0.000 0.000 0.286 207 G HA3 0.623 4.583 3.960 -0.000 0.000 0.286 207 G C -1.941 172.788 174.900 -0.285 0.000 1.364 207 G CA -0.779 44.096 45.100 -0.375 0.000 0.938 207 G HN 1.466 nan 8.290 nan 0.000 0.490 208 V N -0.208 119.279 119.914 -0.713 0.000 2.711 208 V HA 0.696 4.816 4.120 -0.000 0.000 0.304 208 V C -1.804 174.149 176.094 -0.235 0.000 1.097 208 V CA -0.888 61.165 62.300 -0.411 0.000 0.906 208 V CB 1.525 33.086 31.823 -0.436 0.000 1.015 208 V HN 0.917 nan 8.190 nan 0.000 0.427 209 L N 7.640 129.005 121.223 0.237 0.000 2.265 209 L HA 0.678 5.018 4.340 -0.000 0.000 0.289 209 L C -0.396 176.679 176.870 0.341 0.000 1.033 209 L CA 0.051 55.133 54.840 0.403 0.000 0.814 209 L CB 1.530 43.952 42.059 0.605 0.000 1.203 209 L HN 0.609 nan 8.230 nan 0.000 0.423 210 V N 5.092 125.149 119.914 0.238 0.000 2.427 210 V HA 0.179 4.299 4.120 -0.000 0.000 0.268 210 V C 0.568 176.912 176.094 0.418 0.000 1.046 210 V CA -0.415 62.016 62.300 0.218 0.000 0.970 210 V CB 0.589 32.393 31.823 -0.032 0.000 1.001 210 V HN 0.807 nan 8.190 nan 0.000 0.476 211 N N 4.198 123.110 118.700 0.354 0.000 3.298 211 N HA 0.154 4.894 4.740 -0.000 0.000 0.292 211 N C -0.638 174.763 175.510 -0.181 0.000 1.271 211 N CA -0.136 53.098 53.050 0.306 0.000 1.184 211 N CB -0.503 38.230 38.487 0.410 0.000 1.452 211 N HN 0.806 nan 8.380 nan 0.000 0.534 212 H N -0.305 118.950 119.070 0.308 0.000 3.018 212 H HA 0.274 4.830 4.556 -0.000 0.000 0.334 212 H C -1.890 173.426 175.328 -0.019 0.000 0.983 212 H CA -1.403 54.702 56.048 0.094 0.000 1.363 212 H CB 2.055 31.884 29.762 0.113 0.000 1.668 212 H HN 0.202 nan 8.280 nan 0.000 0.513 213 P HA -0.094 nan 4.420 nan 0.000 0.225 213 P C -0.085 177.306 177.300 0.153 0.000 1.156 213 P CA 0.688 63.630 63.100 -0.263 0.000 0.787 213 P CB 0.423 31.816 31.700 -0.512 0.000 0.802 214 Q N -0.840 119.085 119.800 0.209 0.000 2.631 214 Q HA 0.084 4.424 4.340 -0.000 0.000 0.210 214 Q C 0.292 176.550 176.000 0.430 0.000 1.094 214 Q CA -0.254 55.756 55.803 0.346 0.000 1.055 214 Q CB -0.656 28.227 28.738 0.242 0.000 1.261 214 Q HN 0.008 nan 8.270 nan 0.000 0.615 215 C N 0.930 120.508 119.300 0.464 0.000 2.633 215 C HA 0.271 4.731 4.460 -0.000 0.000 0.415 215 C C -0.263 174.851 174.990 0.207 0.000 1.393 215 C CA -0.357 58.873 59.018 0.352 0.000 1.700 215 C CB -1.144 26.581 27.740 -0.025 0.000 2.541 215 C HN 0.474 nan 8.230 nan 0.000 0.603 216 V N 6.968 127.033 119.914 0.252 0.000 2.417 216 V HA 0.396 4.516 4.120 -0.000 0.000 0.291 216 V C 0.275 176.427 176.094 0.097 0.000 1.024 216 V CA -0.086 62.287 62.300 0.122 0.000 0.861 216 V CB 1.860 33.766 31.823 0.139 0.000 0.985 216 V HN 0.916 nan 8.190 nan 0.000 0.436 217 S N 5.199 120.877 115.700 -0.037 0.000 2.420 217 S HA 0.636 5.106 4.470 -0.000 0.000 0.313 217 S C -0.836 173.726 174.600 -0.064 0.000 1.079 217 S CA -0.423 57.777 58.200 0.001 0.000 1.104 217 S CB -0.197 62.972 63.200 -0.051 0.000 0.969 217 S HN 0.381 nan 8.310 nan 0.000 0.471 218 F N 3.071 123.066 119.950 0.074 0.000 2.408 218 F HA 0.431 4.958 4.527 -0.000 0.000 0.344 218 F C 0.847 176.648 175.800 0.001 0.000 1.112 218 F CA -0.709 57.332 58.000 0.069 0.000 1.096 218 F CB 1.200 40.223 39.000 0.038 0.000 1.129 218 F HN 0.382 nan 8.300 nan 0.000 0.486 219 E N 3.428 123.706 120.200 0.130 0.000 2.121 219 E HA 0.246 4.596 4.350 -0.000 0.000 0.255 219 E C -0.943 175.673 176.600 0.028 0.000 0.906 219 E CA -0.350 56.075 56.400 0.041 0.000 0.745 219 E CB 1.837 31.526 29.700 -0.018 0.000 1.155 219 E HN 0.259 nan 8.360 nan 0.000 0.424 220 V N 1.866 121.780 119.914 -0.000 0.000 2.267 220 V HA 0.239 4.359 4.120 -0.000 0.000 0.254 220 V C 1.323 177.365 176.094 -0.087 0.000 1.144 220 V CA 0.174 62.428 62.300 -0.076 0.000 0.992 220 V CB 0.242 31.977 31.823 -0.147 0.000 1.199 220 V HN 0.924 nan 8.190 nan 0.000 0.493 221 G N 4.407 113.163 108.800 -0.073 0.000 2.225 221 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 221 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 221 G C 0.816 175.683 174.900 -0.055 0.000 1.024 221 G CA 0.777 45.838 45.100 -0.064 0.000 0.784 221 G HN 1.017 nan 8.290 nan 0.000 0.507 222 S N -2.093 113.578 115.700 -0.049 0.000 2.523 222 S HA 0.398 4.868 4.470 -0.000 0.000 0.217 222 S C 1.273 175.843 174.600 -0.050 0.000 0.996 222 S CA 0.841 59.014 58.200 -0.045 0.000 0.921 222 S CB 0.730 63.907 63.200 -0.037 0.000 0.829 222 S HN 0.648 nan 8.310 nan 0.000 0.495 223 E N 1.093 121.259 120.200 -0.056 0.000 2.476 223 E HA 0.217 4.567 4.350 -0.000 0.000 0.193 223 E C -0.544 176.013 176.600 -0.071 0.000 0.966 223 E CA -0.049 56.310 56.400 -0.069 0.000 1.114 223 E CB 0.496 30.146 29.700 -0.082 0.000 1.151 223 E HN 0.034 nan 8.360 nan 0.000 0.487 224 K N 2.228 122.589 120.400 -0.066 0.000 2.263 224 K HA 0.150 4.470 4.320 -0.000 0.000 0.272 224 K C 0.943 177.510 176.600 -0.055 0.000 1.033 224 K CA -0.024 56.224 56.287 -0.066 0.000 0.884 224 K CB 1.823 34.287 32.500 -0.061 0.000 1.107 224 K HN 0.221 nan 8.250 nan 0.000 0.460 225 V N -0.152 119.729 119.914 -0.055 0.000 2.809 225 V HA -0.056 4.064 4.120 -0.000 0.000 0.256 225 V C 0.935 177.004 176.094 -0.042 0.000 1.080 225 V CA 1.071 63.342 62.300 -0.049 0.000 1.102 225 V CB -0.093 31.703 31.823 -0.046 0.000 0.705 225 V HN 0.479 nan 8.190 nan 0.000 0.475 226 S N 0.554 116.231 115.700 -0.037 0.000 2.537 226 S HA 0.437 4.907 4.470 -0.000 0.000 0.246 226 S C -0.025 174.567 174.600 -0.014 0.000 1.036 226 S CA -0.507 57.679 58.200 -0.024 0.000 1.041 226 S CB -0.294 62.896 63.200 -0.017 0.000 0.799 226 S HN 0.749 nan 8.310 nan 0.000 0.456 227 K N 0.466 120.851 120.400 -0.024 0.000 2.532 227 K HA 0.489 4.809 4.320 -0.000 0.000 0.265 227 K C -1.369 175.213 176.600 -0.031 0.000 0.948 227 K CA -0.844 55.436 56.287 -0.012 0.000 0.842 227 K CB 2.054 34.545 32.500 -0.015 0.000 1.392 227 K HN -0.129 nan 8.250 nan 0.000 0.436 228 V N 2.430 122.335 119.914 -0.015 0.000 2.320 228 V HA 0.144 4.264 4.120 -0.000 0.000 0.265 228 V C 0.020 176.142 176.094 0.047 0.000 1.048 228 V CA -0.504 61.785 62.300 -0.019 0.000 0.865 228 V CB 0.700 32.429 31.823 -0.157 0.000 1.043 228 V HN 0.672 nan 8.190 nan 0.000 0.474 229 Q N 5.179 124.987 119.800 0.015 0.000 2.261 229 Q HA 0.608 4.948 4.340 -0.000 0.000 0.252 229 Q C -1.274 174.736 176.000 0.017 0.000 0.915 229 Q CA -0.478 55.286 55.803 -0.065 0.000 0.915 229 Q CB 1.226 29.939 28.738 -0.041 0.000 1.204 229 Q HN 0.721 nan 8.270 nan 0.000 0.421 230 F N 0.383 120.262 119.950 -0.119 0.000 2.591 230 F HA 0.726 5.253 4.527 -0.000 0.000 0.309 230 F C -1.119 174.578 175.800 -0.172 0.000 1.098 230 F CA -0.904 56.898 58.000 -0.331 0.000 0.937 230 F CB 1.594 40.191 39.000 -0.672 0.000 1.250 230 F HN 0.469 nan 8.300 nan 0.000 0.447 231 S N 1.967 117.654 115.700 -0.022 0.000 2.564 231 S HA 0.878 5.348 4.470 -0.000 0.000 0.274 231 S C -1.949 172.642 174.600 -0.015 0.000 1.124 231 S CA -0.807 57.398 58.200 0.009 0.000 0.869 231 S CB 1.768 64.934 63.200 -0.056 0.000 1.105 231 S HN 1.429 nan 8.310 nan 0.000 0.472 232 V N 0.945 120.869 119.914 0.016 0.000 2.932 232 V HA 0.513 4.633 4.120 -0.000 0.000 0.307 232 V C -0.898 175.225 176.094 0.049 0.000 1.147 232 V CA -0.664 61.612 62.300 -0.041 0.000 0.951 232 V CB 1.924 33.541 31.823 -0.344 0.000 1.031 232 V HN 1.119 nan 8.190 nan 0.000 0.426 233 E N 3.581 123.804 120.200 0.039 0.000 1.985 233 E HA 0.470 4.820 4.350 -0.000 0.000 0.268 233 E C -0.516 175.987 176.600 -0.162 0.000 1.219 233 E CA 0.294 56.579 56.400 -0.191 0.000 0.942 233 E CB 0.332 29.884 29.700 -0.246 0.000 1.045 233 E HN 0.690 nan 8.360 nan 0.000 0.413 234 S N 2.847 118.459 115.700 -0.147 0.000 2.595 234 S HA 0.121 4.591 4.470 -0.000 0.000 0.270 234 S C -0.081 174.547 174.600 0.046 0.000 1.145 234 S CA -0.702 57.438 58.200 -0.099 0.000 0.825 234 S CB 1.337 64.346 63.200 -0.319 0.000 1.107 234 S HN 0.478 nan 8.310 nan 0.000 0.461 235 E N 0.635 120.932 120.200 0.161 0.000 2.478 235 E HA 0.162 4.512 4.350 -0.000 0.000 0.194 235 E C -0.359 176.444 176.600 0.339 0.000 1.045 235 E CA 0.561 57.136 56.400 0.291 0.000 0.868 235 E CB 0.128 30.007 29.700 0.297 0.000 0.885 235 E HN 0.604 nan 8.360 nan 0.000 0.505 236 Y N -1.604 118.819 120.300 0.205 0.000 2.553 236 Y HA 0.625 5.175 4.550 -0.000 0.000 0.347 236 Y C -1.166 174.888 175.900 0.256 0.000 1.019 236 Y CA -1.753 56.474 58.100 0.212 0.000 1.032 236 Y CB 0.965 39.528 38.460 0.171 0.000 1.284 236 Y HN -0.215 nan 8.280 nan 0.000 0.466 237 L N 2.651 124.033 121.223 0.263 0.000 2.346 237 L HA 0.636 4.976 4.340 -0.000 0.000 0.276 237 L C -1.171 176.000 176.870 0.502 0.000 1.006 237 L CA -0.556 54.480 54.840 0.327 0.000 0.817 237 L CB 1.986 44.214 42.059 0.281 0.000 1.272 237 L HN 0.915 nan 8.230 nan 0.000 0.421 238 E N 3.676 124.227 120.200 0.584 0.000 2.246 238 E HA 0.517 4.867 4.350 -0.000 0.000 0.266 238 E C -2.001 174.710 176.600 0.185 0.000 0.880 238 E CA -0.593 55.950 56.400 0.240 0.000 0.762 238 E CB 1.349 31.167 29.700 0.197 0.000 1.180 238 E HN 0.566 nan 8.360 nan 0.000 0.416 239 Y N 1.447 121.679 120.300 -0.114 0.000 2.588 239 Y HA 0.711 5.261 4.550 -0.000 0.000 0.343 239 Y C -1.746 173.900 175.900 -0.424 0.000 1.065 239 Y CA -1.484 56.541 58.100 -0.125 0.000 1.038 239 Y CB 1.063 39.557 38.460 0.057 0.000 1.297 239 Y HN 0.249 nan 8.280 nan 0.000 0.467 240 F N 1.503 121.568 119.950 0.191 0.000 2.477 240 F HA 0.609 5.136 4.527 -0.000 0.000 0.335 240 F C -0.649 175.177 175.800 0.043 0.000 1.130 240 F CA -1.197 56.821 58.000 0.031 0.000 0.948 240 F CB 2.100 41.159 39.000 0.098 0.000 1.154 240 F HN 0.370 nan 8.300 nan 0.000 0.439 241 V N 5.212 125.170 119.914 0.072 0.000 2.465 241 V HA 0.378 4.498 4.120 -0.000 0.000 0.279 241 V C 0.094 176.209 176.094 0.035 0.000 1.045 241 V CA -0.531 61.738 62.300 -0.052 0.000 0.938 241 V CB 1.310 32.867 31.823 -0.443 0.000 0.986 241 V HN 0.520 nan 8.190 nan 0.000 0.467 242 I N 3.540 124.156 120.570 0.076 0.000 2.411 242 I HA 0.352 4.522 4.170 -0.000 0.000 0.284 242 I C -0.270 175.909 176.117 0.103 0.000 1.012 242 I CA -0.500 60.855 61.300 0.093 0.000 1.119 242 I CB 1.692 39.796 38.000 0.174 0.000 1.261 242 I HN 0.514 nan 8.210 nan 0.000 0.448 243 D N 4.055 124.496 120.400 0.067 0.000 2.357 243 D HA 0.361 5.001 4.640 -0.000 0.000 0.242 243 D C 0.639 176.977 176.300 0.062 0.000 1.153 243 D CA 0.316 54.360 54.000 0.073 0.000 0.918 243 D CB 1.657 42.481 40.800 0.040 0.000 1.181 243 D HN 0.610 nan 8.370 nan 0.000 0.435 244 G N 0.627 109.464 108.800 0.062 0.000 2.601 244 G HA2 0.131 4.091 3.960 -0.000 0.000 0.214 244 G HA3 0.131 4.091 3.960 -0.000 0.000 0.214 244 G C -1.585 173.325 174.900 0.015 0.000 2.067 244 G CA -0.173 44.948 45.100 0.034 0.000 0.774 244 G HN 0.575 nan 8.290 nan 0.000 0.729 245 P HA 0.171 nan 4.420 nan 0.000 0.257 245 P C 0.259 177.566 177.300 0.011 0.000 1.281 245 P CA 0.593 63.709 63.100 0.027 0.000 0.826 245 P CB 0.101 31.815 31.700 0.024 0.000 1.237 246 T N -4.461 110.087 114.554 -0.009 0.000 2.945 246 T HA 0.439 4.789 4.350 -0.000 0.000 0.286 246 T C -2.092 172.582 174.700 -0.044 0.000 1.025 246 T CA -2.325 59.756 62.100 -0.031 0.000 1.039 246 T CB 1.781 70.623 68.868 -0.043 0.000 1.068 246 T HN -0.350 nan 8.240 nan 0.000 0.497 247 P HA -0.106 nan 4.420 nan 0.000 0.216 247 P C 1.331 178.589 177.300 -0.070 0.000 1.154 247 P CA 1.359 64.403 63.100 -0.093 0.000 0.865 247 P CB 0.072 31.683 31.700 -0.149 0.000 0.789 248 K N -0.774 119.579 120.400 -0.078 0.000 2.097 248 K HA -0.059 4.261 4.320 -0.000 0.000 0.206 248 K C 2.140 178.708 176.600 -0.053 0.000 1.049 248 K CA 1.416 57.658 56.287 -0.074 0.000 0.933 248 K CB -0.574 31.875 32.500 -0.085 0.000 0.717 248 K HN 0.057 nan 8.250 nan 0.000 0.442 249 A N 1.009 123.805 122.820 -0.041 0.000 1.930 249 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 249 A C 2.344 179.925 177.584 -0.004 0.000 1.175 249 A CA 1.198 53.220 52.037 -0.026 0.000 0.627 249 A CB -0.559 18.428 19.000 -0.020 0.000 0.815 249 A HN 0.051 nan 8.150 nan 0.000 0.443 250 V N 0.201 120.123 119.914 0.014 0.000 2.255 250 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 250 V C 2.550 178.685 176.094 0.069 0.000 1.051 250 V CA 2.080 64.418 62.300 0.063 0.000 1.018 250 V CB -0.855 31.016 31.823 0.080 0.000 0.641 250 V HN 0.577 nan 8.190 nan 0.000 0.445 251 L N 0.053 121.291 121.223 0.025 0.000 2.131 251 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 251 L C 2.449 179.301 176.870 -0.029 0.000 1.092 251 L CA 1.744 56.579 54.840 -0.008 0.000 0.759 251 L CB -0.625 41.403 42.059 -0.052 0.000 0.903 251 L HN 0.430 nan 8.230 nan 0.000 0.435 252 D N 0.394 120.770 120.400 -0.039 0.000 2.084 252 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 252 D C 2.300 178.568 176.300 -0.053 0.000 0.990 252 D CA 1.418 55.383 54.000 -0.057 0.000 0.826 252 D CB 0.090 40.859 40.800 -0.053 0.000 0.971 252 D HN 0.145 nan 8.370 nan 0.000 0.453 253 R N -0.972 119.515 120.500 -0.023 0.000 2.096 253 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 253 R C 2.412 178.708 176.300 -0.006 0.000 1.127 253 R CA 1.079 57.166 56.100 -0.023 0.000 0.968 253 R CB -0.634 29.659 30.300 -0.012 0.000 0.861 253 R HN 0.339 nan 8.270 nan 0.000 0.440 254 Y N 2.120 122.350 120.300 -0.117 0.000 2.145 254 Y HA -0.249 4.301 4.550 -0.000 0.000 0.286 254 Y C 2.586 178.345 175.900 -0.235 0.000 1.145 254 Y CA 2.046 60.024 58.100 -0.202 0.000 1.148 254 Y CB -0.508 37.651 38.460 -0.501 0.000 0.981 254 Y HN 0.118 nan 8.280 nan 0.000 0.507 255 T N -1.713 112.634 114.554 -0.346 0.000 2.904 255 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 255 T C 2.060 176.573 174.700 -0.313 0.000 1.059 255 T CA 1.102 62.951 62.100 -0.419 0.000 1.137 255 T CB -0.447 68.249 68.868 -0.286 0.000 0.879 255 T HN 0.374 nan 8.240 nan 0.000 0.467 256 R N -0.493 119.891 120.500 -0.194 0.000 2.073 256 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 256 R C 2.185 178.420 176.300 -0.108 0.000 1.134 256 R CA 1.438 57.461 56.100 -0.129 0.000 0.952 256 R CB -0.524 29.730 30.300 -0.077 0.000 0.850 256 R HN 0.392 nan 8.270 nan 0.000 0.433 257 F N 1.016 120.768 119.950 -0.330 0.000 2.075 257 F HA -0.153 4.374 4.527 -0.000 0.000 0.297 257 F C 2.251 177.792 175.800 -0.430 0.000 1.113 257 F CA 2.150 59.932 58.000 -0.364 0.000 1.218 257 F CB -0.674 38.093 39.000 -0.389 0.000 0.984 257 F HN 0.182 nan 8.300 nan 0.000 0.472 258 T N -2.658 111.465 114.554 -0.719 0.000 2.985 258 T HA 0.528 4.878 4.350 -0.000 0.000 0.254 258 T C 0.688 175.014 174.700 -0.623 0.000 1.021 258 T CA 0.339 61.929 62.100 -0.850 0.000 0.957 258 T CB 0.069 68.249 68.868 -1.146 0.000 1.047 258 T HN 0.622 nan 8.240 nan 0.000 0.511 259 G N 0.921 109.402 108.800 -0.532 0.000 2.462 259 G HA2 0.328 4.288 3.960 -0.000 0.000 0.424 259 G HA3 0.328 4.288 3.960 -0.000 0.000 0.424 259 G C -1.438 173.213 174.900 -0.414 0.000 1.573 259 G CA -1.337 43.505 45.100 -0.428 0.000 0.913 259 G HN 0.322 nan 8.290 nan 0.000 0.672 260 R N 1.966 122.282 120.500 -0.307 0.000 2.308 260 R HA 0.605 4.945 4.340 -0.000 0.000 0.305 260 R C -2.159 173.990 176.300 -0.252 0.000 1.053 260 R CA -2.124 53.828 56.100 -0.246 0.000 0.957 260 R CB 0.420 30.625 30.300 -0.157 0.000 1.022 260 R HN 0.368 nan 8.270 nan 0.000 0.461 261 P HA -0.010 nan 4.420 nan 0.000 0.264 261 P C -0.832 176.458 177.300 -0.017 0.000 1.183 261 P CA 0.195 63.228 63.100 -0.112 0.000 0.763 261 P CB 0.623 32.325 31.700 0.003 0.000 0.807 262 A N 3.361 126.158 122.820 -0.038 0.000 2.366 262 A HA 0.331 4.651 4.320 -0.000 0.000 0.249 262 A C -0.290 177.369 177.584 0.125 0.000 1.084 262 A CA -0.272 51.801 52.037 0.061 0.000 0.794 262 A CB -0.166 18.914 19.000 0.134 0.000 1.034 262 A HN 0.571 nan 8.150 nan 0.000 0.491 263 L N 2.565 123.858 121.223 0.118 0.000 2.260 263 L HA 0.488 4.828 4.340 -0.000 0.000 0.289 263 L C -2.246 174.657 176.870 0.054 0.000 1.057 263 L CA -1.709 53.165 54.840 0.056 0.000 0.811 263 L CB 0.583 42.669 42.059 0.046 0.000 1.184 263 L HN 0.374 nan 8.230 nan 0.000 0.429 264 P HA 0.277 nan 4.420 nan 0.000 0.274 264 P C -2.692 174.744 177.300 0.227 0.000 1.237 264 P CA -1.243 61.854 63.100 -0.005 0.000 0.793 264 P CB -0.179 31.377 31.700 -0.241 0.000 0.977 265 P HA 0.011 nan 4.420 nan 0.000 0.271 265 P C 0.241 177.581 177.300 0.066 0.000 1.216 265 P CA 0.098 63.161 63.100 -0.061 0.000 0.776 265 P CB 0.664 32.047 31.700 -0.528 0.000 0.881 266 A N 4.866 127.736 122.820 0.083 0.000 1.978 266 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 266 A C 2.014 179.781 177.584 0.306 0.000 1.170 266 A CA 1.386 53.479 52.037 0.094 0.000 0.636 266 A CB -1.661 17.246 19.000 -0.155 0.000 0.810 266 A HN 0.840 nan 8.150 nan 0.000 0.448 267 W N 0.826 122.255 121.300 0.214 0.000 2.392 267 W HA -0.178 4.482 4.660 -0.000 0.000 0.279 267 W C 1.859 178.518 176.519 0.233 0.000 1.225 267 W CA 1.332 58.768 57.345 0.152 0.000 1.233 267 W CB -1.305 28.190 29.460 0.059 0.000 1.122 267 W HN 0.521 nan 8.180 nan 0.000 0.561 268 S N 0.696 116.354 115.700 -0.070 0.000 2.442 268 S HA -0.206 4.264 4.470 -0.000 0.000 0.236 268 S C 1.477 176.325 174.600 0.414 0.000 1.007 268 S CA 0.943 59.202 58.200 0.098 0.000 0.965 268 S CB -1.394 61.672 63.200 -0.223 0.000 0.773 268 S HN 0.244 nan 8.310 nan 0.000 0.504 269 F N 2.462 122.537 119.950 0.208 0.000 2.710 269 F HA 0.324 4.851 4.527 -0.000 0.000 0.298 269 F C 2.064 177.948 175.800 0.140 0.000 1.137 269 F CA -0.073 57.952 58.000 0.041 0.000 1.444 269 F CB -0.626 38.372 39.000 -0.004 0.000 1.111 269 F HN 0.335 nan 8.300 nan 0.000 0.580 270 G N 0.258 109.259 108.800 0.334 0.000 2.486 270 G HA2 0.233 4.193 3.960 -0.000 0.000 0.272 270 G HA3 0.233 4.193 3.960 -0.000 0.000 0.272 270 G C -0.957 174.258 174.900 0.526 0.000 1.426 270 G CA -0.529 44.714 45.100 0.238 0.000 1.058 270 G HN -0.008 nan 8.290 nan 0.000 0.531 271 L N -0.252 121.383 121.223 0.686 0.000 2.290 271 L HA 0.510 4.850 4.340 -0.000 0.000 0.284 271 L C -1.095 176.053 176.870 0.462 0.000 1.078 271 L CA -1.020 54.126 54.840 0.510 0.000 0.815 271 L CB 0.456 42.737 42.059 0.371 0.000 1.162 271 L HN 0.413 nan 8.230 nan 0.000 0.435 272 W N 6.319 127.693 121.300 0.122 0.000 2.438 272 W HA 0.623 5.283 4.660 -0.000 0.000 0.324 272 W C -0.409 176.102 176.519 -0.013 0.000 1.119 272 W CA -0.531 56.822 57.345 0.013 0.000 1.221 272 W CB 0.924 30.302 29.460 -0.136 0.000 1.253 272 W HN 0.314 nan 8.180 nan 0.000 0.555 273 L N 2.955 124.268 121.223 0.150 0.000 2.393 273 L HA 0.686 5.026 4.340 -0.000 0.000 0.260 273 L C -0.186 176.540 176.870 -0.241 0.000 1.002 273 L CA -0.519 54.358 54.840 0.061 0.000 0.818 273 L CB 2.304 44.482 42.059 0.198 0.000 1.369 273 L HN 0.608 nan 8.230 nan 0.000 0.412 274 T N -2.114 112.278 114.554 -0.269 0.000 2.940 274 T HA 0.280 4.630 4.350 -0.000 0.000 0.288 274 T C 1.054 175.382 174.700 -0.621 0.000 1.045 274 T CA 0.189 61.983 62.100 -0.511 0.000 1.018 274 T CB 1.447 70.323 68.868 0.014 0.000 1.151 274 T HN 0.733 nan 8.240 nan 0.000 0.529 275 T N -0.866 113.222 114.554 -0.776 0.000 3.077 275 T HA 0.136 4.486 4.350 -0.000 0.000 0.269 275 T C 1.020 175.142 174.700 -0.963 0.000 1.146 275 T CA 0.495 62.068 62.100 -0.879 0.000 1.091 275 T CB -0.996 67.159 68.868 -1.187 0.000 0.892 275 T HN 0.984 nan 8.240 nan 0.000 0.533 276 S N -0.046 115.315 115.700 -0.565 0.000 3.460 276 S HA -0.191 4.279 4.470 -0.000 0.000 0.637 276 S C 0.163 174.801 174.600 0.064 0.000 2.505 276 S CA 0.353 58.319 58.200 -0.389 0.000 2.686 276 S CB -1.361 61.577 63.200 -0.437 0.000 0.330 276 S HN 0.454 nan 8.310 nan 0.000 1.795 277 F N 1.902 121.877 119.950 0.042 0.000 2.164 277 F HA 0.135 4.662 4.527 -0.000 0.000 0.287 277 F C 2.590 178.619 175.800 0.382 0.000 1.086 277 F CA 2.016 60.220 58.000 0.340 0.000 1.249 277 F CB -0.762 38.491 39.000 0.422 0.000 1.059 277 F HN 0.747 nan 8.300 nan 0.000 0.490 278 T N -2.263 112.295 114.554 0.007 0.000 3.044 278 T HA 0.189 4.539 4.350 -0.000 0.000 0.260 278 T C 0.937 175.508 174.700 -0.215 0.000 1.019 278 T CA 0.367 62.243 62.100 -0.373 0.000 0.921 278 T CB -1.300 67.389 68.868 -0.299 0.000 1.053 278 T HN 0.297 nan 8.240 nan 0.000 0.533 279 T N 1.480 116.047 114.554 0.022 0.000 2.619 279 T HA 0.175 4.525 4.350 -0.000 0.000 0.330 279 T C 0.189 174.997 174.700 0.180 0.000 1.037 279 T CA -0.498 61.675 62.100 0.122 0.000 1.005 279 T CB 0.043 69.003 68.868 0.153 0.000 1.084 279 T HN 0.347 nan 8.240 nan 0.000 0.521 280 N N 0.246 119.114 118.700 0.280 0.000 2.437 280 N HA 0.176 4.916 4.740 -0.000 0.000 0.259 280 N C -0.788 175.004 175.510 0.470 0.000 0.983 280 N CA -0.885 52.294 53.050 0.215 0.000 0.937 280 N CB 0.230 38.789 38.487 0.121 0.000 1.122 280 N HN 0.602 nan 8.380 nan 0.000 0.499 281 Y N 0.658 121.080 120.300 0.203 0.000 2.532 281 Y HA 0.143 4.693 4.550 -0.000 0.000 0.283 281 Y C 0.209 176.247 175.900 0.229 0.000 1.181 281 Y CA -1.105 57.227 58.100 0.387 0.000 1.256 281 Y CB -1.413 37.490 38.460 0.739 0.000 1.112 281 Y HN 0.560 nan 8.280 nan 0.000 0.521 282 D N -0.125 120.372 120.400 0.161 0.000 2.378 282 D HA -0.104 4.536 4.640 -0.000 0.000 0.238 282 D C 1.239 177.631 176.300 0.154 0.000 1.180 282 D CA -0.057 53.947 54.000 0.007 0.000 0.895 282 D CB 0.997 41.772 40.800 -0.041 0.000 1.192 282 D HN 0.299 nan 8.370 nan 0.000 0.438 283 E N 0.755 121.025 120.200 0.118 0.000 2.070 283 E HA -0.288 4.062 4.350 -0.000 0.000 0.197 283 E C 1.985 178.634 176.600 0.081 0.000 1.004 283 E CA 1.644 58.124 56.400 0.134 0.000 0.805 283 E CB -0.323 29.426 29.700 0.081 0.000 0.744 283 E HN 0.590 nan 8.360 nan 0.000 0.451 284 A N 0.116 122.964 122.820 0.048 0.000 1.903 284 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 284 A C 2.426 180.027 177.584 0.028 0.000 1.191 284 A CA 2.448 54.497 52.037 0.019 0.000 0.638 284 A CB -1.165 17.839 19.000 0.007 0.000 0.823 284 A HN 0.396 nan 8.150 nan 0.000 0.451 285 T N -0.629 113.979 114.554 0.091 0.000 2.770 285 T HA -0.074 4.276 4.350 -0.000 0.000 0.263 285 T C 1.910 176.717 174.700 0.178 0.000 1.039 285 T CA 1.353 63.536 62.100 0.140 0.000 1.142 285 T CB -0.521 68.497 68.868 0.249 0.000 0.868 285 T HN 0.145 nan 8.240 nan 0.000 0.435 286 V N 2.942 122.995 119.914 0.232 0.000 2.250 286 V HA -0.252 3.868 4.120 -0.000 0.000 0.250 286 V C 2.393 178.478 176.094 -0.015 0.000 1.060 286 V CA 1.703 64.090 62.300 0.145 0.000 1.030 286 V CB -0.605 31.273 31.823 0.091 0.000 0.643 286 V HN 0.541 nan 8.190 nan 0.000 0.445 287 N N 0.249 118.930 118.700 -0.031 0.000 2.381 287 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 287 N C 2.120 177.576 175.510 -0.091 0.000 1.025 287 N CA 1.585 54.590 53.050 -0.074 0.000 0.888 287 N CB -0.119 38.333 38.487 -0.059 0.000 0.965 287 N HN 0.689 nan 8.380 nan 0.000 0.438 288 S N 0.448 116.071 115.700 -0.128 0.000 2.368 288 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 288 S C 1.879 176.289 174.600 -0.318 0.000 1.029 288 S CA 0.684 58.723 58.200 -0.268 0.000 0.988 288 S CB -0.667 62.294 63.200 -0.397 0.000 0.838 288 S HN 0.194 nan 8.310 nan 0.000 0.462 289 F N 1.559 121.452 119.950 -0.094 0.000 2.163 289 F HA 0.225 4.752 4.527 -0.000 0.000 0.297 289 F C 2.289 178.166 175.800 0.127 0.000 1.094 289 F CA 0.728 58.752 58.000 0.039 0.000 1.290 289 F CB -0.463 38.394 39.000 -0.238 0.000 1.017 289 F HN 0.160 nan 8.300 nan 0.000 0.483 290 I N 0.216 120.871 120.570 0.140 0.000 2.127 290 I HA -0.327 3.843 4.170 -0.000 0.000 0.241 290 I C 1.963 178.102 176.117 0.036 0.000 1.075 290 I CA 1.534 62.867 61.300 0.053 0.000 1.334 290 I CB -0.472 37.471 38.000 -0.096 0.000 1.040 290 I HN 0.072 nan 8.210 nan 0.000 0.405 291 D N 0.797 121.181 120.400 -0.026 0.000 2.178 291 D HA -0.116 4.524 4.640 -0.000 0.000 0.202 291 D C 2.202 178.443 176.300 -0.097 0.000 0.974 291 D CA 1.449 55.409 54.000 -0.067 0.000 0.841 291 D CB -0.591 40.150 40.800 -0.099 0.000 0.953 291 D HN 0.421 nan 8.370 nan 0.000 0.478 292 G N 0.691 109.427 108.800 -0.107 0.000 2.450 292 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.220 292 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.220 292 G C 1.564 176.316 174.900 -0.247 0.000 1.130 292 G CA 0.551 45.462 45.100 -0.315 0.000 0.760 292 G HN 0.131 nan 8.290 nan 0.000 0.557 293 M N 1.025 120.724 119.600 0.165 0.000 2.077 293 M HA 0.064 4.544 4.480 -0.000 0.000 0.261 293 M C 3.084 179.419 176.300 0.058 0.000 1.070 293 M CA 1.427 56.864 55.300 0.229 0.000 1.125 293 M CB -1.237 31.522 32.600 0.266 0.000 1.339 293 M HN 0.305 nan 8.290 nan 0.000 0.409 294 A N 0.164 122.989 122.820 0.010 0.000 1.902 294 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 294 A C 2.047 179.599 177.584 -0.054 0.000 1.181 294 A CA 1.711 53.733 52.037 -0.024 0.000 0.623 294 A CB -0.791 18.187 19.000 -0.038 0.000 0.818 294 A HN 0.576 nan 8.150 nan 0.000 0.443 295 E N -0.587 119.553 120.200 -0.100 0.000 2.160 295 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 295 E C 1.582 178.109 176.600 -0.122 0.000 0.991 295 E CA 1.059 57.380 56.400 -0.132 0.000 0.810 295 E CB -0.101 29.475 29.700 -0.206 0.000 0.742 295 E HN 0.554 nan 8.360 nan 0.000 0.466 296 R N 0.531 120.960 120.500 -0.118 0.000 2.426 296 R HA 0.126 4.466 4.340 -0.000 0.000 0.263 296 R C -0.152 176.151 176.300 0.006 0.000 0.961 296 R CA -0.092 55.968 56.100 -0.066 0.000 1.086 296 R CB 0.206 30.461 30.300 -0.075 0.000 1.186 296 R HN 0.063 nan 8.270 nan 0.000 0.537 297 N N 0.989 119.690 118.700 0.002 0.000 2.735 297 N HA -0.179 4.561 4.740 -0.000 0.000 0.248 297 N C -0.981 174.563 175.510 0.058 0.000 1.083 297 N CA 0.913 53.976 53.050 0.022 0.000 0.703 297 N CB -1.266 37.231 38.487 0.016 0.000 1.005 297 N HN 0.316 nan 8.380 nan 0.000 0.550 298 L N 0.704 121.977 121.223 0.082 0.000 2.272 298 L HA 0.377 4.717 4.340 -0.000 0.000 0.284 298 L C -1.934 174.984 176.870 0.079 0.000 1.045 298 L CA -1.601 53.313 54.840 0.124 0.000 0.842 298 L CB 0.845 43.029 42.059 0.207 0.000 1.224 298 L HN -0.276 nan 8.230 nan 0.000 0.430 299 P HA 0.064 nan 4.420 nan 0.000 0.266 299 P C -0.880 176.308 177.300 -0.186 0.000 1.195 299 P CA 0.070 63.139 63.100 -0.051 0.000 0.768 299 P CB 0.811 32.566 31.700 0.092 0.000 0.838 300 L N 3.613 124.556 121.223 -0.467 0.000 2.482 300 L HA 0.300 4.640 4.340 -0.000 0.000 0.263 300 L C -0.184 176.325 176.870 -0.602 0.000 0.957 300 L CA -0.368 54.248 54.840 -0.374 0.000 0.836 300 L CB 1.896 43.916 42.059 -0.065 0.000 1.324 300 L HN 0.541 nan 8.230 nan 0.000 0.406 301 H N 2.296 121.403 119.070 0.062 0.000 3.067 301 H HA 0.363 4.919 4.556 -0.000 0.000 0.241 301 H C -0.348 174.898 175.328 -0.136 0.000 0.961 301 H CA 0.028 56.080 56.048 0.006 0.000 1.123 301 H CB 1.318 31.142 29.762 0.103 0.000 1.448 301 H HN 0.230 nan 8.280 nan 0.000 0.457 302 V N 1.100 120.927 119.914 -0.145 0.000 2.656 302 V HA 0.291 4.411 4.120 -0.000 0.000 0.307 302 V C -1.444 174.538 176.094 -0.186 0.000 1.051 302 V CA -0.926 61.116 62.300 -0.430 0.000 0.893 302 V CB 2.567 33.602 31.823 -1.313 0.000 0.999 302 V HN 0.143 nan 8.190 nan 0.000 0.426 303 F N 3.194 122.971 119.950 -0.288 0.000 2.540 303 F HA 0.715 5.242 4.527 -0.000 0.000 0.317 303 F C -0.588 175.097 175.800 -0.192 0.000 1.104 303 F CA -0.492 57.392 58.000 -0.194 0.000 0.913 303 F CB 1.707 40.597 39.000 -0.183 0.000 1.170 303 F HN 0.722 nan 8.300 nan 0.000 0.450 304 H N 5.321 123.759 119.070 -1.054 0.000 2.589 304 H HA 0.456 5.012 4.556 -0.000 0.000 0.335 304 H C -1.675 173.127 175.328 -0.876 0.000 1.019 304 H CA -0.677 54.969 56.048 -0.669 0.000 1.213 304 H CB 0.836 30.351 29.762 -0.412 0.000 1.472 304 H HN 0.487 nan 8.280 nan 0.000 0.508 305 F N 3.961 123.483 119.950 -0.714 0.000 2.445 305 F HA 0.155 4.682 4.527 -0.000 0.000 0.359 305 F C 0.817 176.294 175.800 -0.537 0.000 1.101 305 F CA -0.134 57.577 58.000 -0.482 0.000 1.177 305 F CB 0.584 39.460 39.000 -0.206 0.000 1.110 305 F HN 0.663 nan 8.300 nan 0.000 0.522 306 D N 1.217 121.593 120.400 -0.040 0.000 2.507 306 D HA 0.200 4.840 4.640 -0.000 0.000 0.280 306 D C 1.083 177.553 176.300 0.284 0.000 1.219 306 D CA -0.452 53.695 54.000 0.245 0.000 1.085 306 D CB 0.841 41.875 40.800 0.389 0.000 1.134 306 D HN 0.566 nan 8.370 nan 0.000 0.583 307 C N -0.363 118.710 119.300 -0.378 0.000 2.391 307 C HA -0.168 4.292 4.460 -0.000 0.000 0.276 307 C C 2.340 176.707 174.990 -1.038 0.000 1.217 307 C CA 0.348 58.510 59.018 -1.427 0.000 1.766 307 C CB -1.310 24.979 27.740 -2.419 0.000 2.046 307 C HN 0.488 nan 8.230 nan 0.000 0.475 308 F N 1.544 121.346 119.950 -0.246 0.000 2.802 308 F HA -0.013 4.514 4.527 -0.000 0.000 0.302 308 F C 2.078 177.914 175.800 0.059 0.000 1.211 308 F CA 0.212 58.100 58.000 -0.185 0.000 1.431 308 F CB -0.804 37.882 39.000 -0.523 0.000 1.114 308 F HN 0.598 nan 8.300 nan 0.000 0.567 309 W N -0.598 120.887 121.300 0.309 0.000 2.595 309 W HA 0.084 4.744 4.660 -0.000 0.000 0.257 309 W C -0.012 176.530 176.519 0.039 0.000 1.267 309 W CA 0.234 57.715 57.345 0.227 0.000 1.300 309 W CB -0.643 28.675 29.460 -0.236 0.000 1.120 309 W HN -0.016 nan 8.180 nan 0.000 0.618 310 M N 1.342 120.712 119.600 -0.384 0.000 2.598 310 M HA 0.301 4.781 4.480 -0.000 0.000 0.317 310 M C 0.211 176.575 176.300 0.106 0.000 1.201 310 M CA -0.708 54.413 55.300 -0.298 0.000 0.971 310 M CB 2.265 34.521 32.600 -0.572 0.000 1.657 310 M HN -0.381 nan 8.290 nan 0.000 0.470 311 K N 1.124 121.578 120.400 0.089 0.000 2.382 311 K HA 0.364 4.684 4.320 -0.000 0.000 0.275 311 K C -0.211 176.316 176.600 -0.121 0.000 1.009 311 K CA -0.382 55.940 56.287 0.057 0.000 0.970 311 K CB 0.650 33.175 32.500 0.042 0.000 0.934 311 K HN 0.739 nan 8.250 nan 0.000 0.479 312 A N 2.530 125.184 122.820 -0.275 0.000 2.540 312 A HA 0.106 4.426 4.320 -0.000 0.000 0.239 312 A C 0.025 177.125 177.584 -0.807 0.000 1.061 312 A CA 0.117 51.636 52.037 -0.862 0.000 0.758 312 A CB -0.609 17.873 19.000 -0.863 0.000 0.991 312 A HN 0.775 nan 8.150 nan 0.000 0.502 313 F N -1.227 118.149 119.950 -0.957 0.000 2.748 313 F HA -0.249 4.278 4.527 -0.000 0.000 0.370 313 F C 1.311 176.842 175.800 -0.449 0.000 0.620 313 F CA 1.694 59.302 58.000 -0.654 0.000 1.233 313 F CB -1.921 36.837 39.000 -0.405 0.000 1.708 313 F HN 0.746 nan 8.300 nan 0.000 0.298 314 Q N -1.427 118.190 119.800 -0.305 0.000 2.179 314 Q HA 0.067 4.407 4.340 -0.000 0.000 0.213 314 Q C -0.074 175.974 176.000 0.080 0.000 0.833 314 Q CA -0.172 55.596 55.803 -0.058 0.000 0.990 314 Q CB 0.492 29.226 28.738 -0.006 0.000 1.132 314 Q HN 0.308 nan 8.270 nan 0.000 0.493 315 W N 0.939 122.206 121.300 -0.054 0.000 2.272 315 W HA 0.234 4.894 4.660 -0.000 0.000 0.318 315 W C 0.157 176.795 176.519 0.199 0.000 1.255 315 W CA -1.912 55.444 57.345 0.019 0.000 1.200 315 W CB 0.343 29.820 29.460 0.029 0.000 1.170 315 W HN 0.001 nan 8.180 nan 0.000 0.549 316 C N 6.074 125.622 119.300 0.414 0.000 2.206 316 C HA 0.209 4.669 4.460 -0.000 0.000 0.324 316 C C 1.088 176.034 174.990 -0.074 0.000 1.120 316 C CA -0.590 58.502 59.018 0.123 0.000 1.546 316 C CB -1.386 26.345 27.740 -0.016 0.000 2.023 316 C HN 0.674 nan 8.230 nan 0.000 0.448 317 D N 2.344 122.715 120.400 -0.048 0.000 2.369 317 D HA 0.084 4.724 4.640 -0.000 0.000 0.211 317 D C 0.725 177.176 176.300 0.251 0.000 1.077 317 D CA -0.208 53.909 54.000 0.196 0.000 0.842 317 D CB -0.404 40.543 40.800 0.243 0.000 0.947 317 D HN 0.528 nan 8.370 nan 0.000 0.509 318 F N -0.344 119.603 119.950 -0.005 0.000 2.840 318 F HA -0.196 4.331 4.527 -0.000 0.000 0.310 318 F C -0.005 175.777 175.800 -0.029 0.000 0.688 318 F CA 0.417 58.388 58.000 -0.048 0.000 1.286 318 F CB -1.806 37.221 39.000 0.046 0.000 1.612 318 F HN -0.021 nan 8.300 nan 0.000 0.335 319 E N 0.406 120.632 120.200 0.043 0.000 2.146 319 E HA 0.162 4.512 4.350 -0.000 0.000 0.282 319 E C -0.267 176.401 176.600 0.114 0.000 0.989 319 E CA -0.639 55.862 56.400 0.168 0.000 0.799 319 E CB 0.515 30.328 29.700 0.190 0.000 1.088 319 E HN 0.185 nan 8.360 nan 0.000 0.397 320 W N 1.893 123.384 121.300 0.318 0.000 2.223 320 W HA -0.049 4.611 4.660 -0.000 0.000 0.334 320 W C 1.056 177.759 176.519 0.307 0.000 1.334 320 W CA 0.078 57.632 57.345 0.347 0.000 1.246 320 W CB 0.252 29.861 29.460 0.248 0.000 1.184 320 W HN 0.311 nan 8.180 nan 0.000 0.563 321 D N 5.468 126.227 120.400 0.600 0.000 2.412 321 D HA -0.033 4.607 4.640 -0.000 0.000 0.257 321 D C -1.038 175.553 176.300 0.484 0.000 1.217 321 D CA -1.441 52.842 54.000 0.471 0.000 0.897 321 D CB 1.140 42.201 40.800 0.434 0.000 1.132 321 D HN 0.109 nan 8.370 nan 0.000 0.493 322 P HA -0.043 nan 4.420 nan 0.000 0.231 322 P C 1.593 178.989 177.300 0.160 0.000 1.168 322 P CA 0.431 63.678 63.100 0.245 0.000 0.779 322 P CB 0.428 32.236 31.700 0.180 0.000 0.844 323 L N -0.772 120.526 121.223 0.125 0.000 2.095 323 L HA -0.028 4.312 4.340 -0.000 0.000 0.204 323 L C 2.339 179.208 176.870 -0.003 0.000 1.080 323 L CA 1.589 56.461 54.840 0.053 0.000 0.759 323 L CB -1.536 40.544 42.059 0.035 0.000 0.914 323 L HN -0.036 nan 8.230 nan 0.000 0.439 324 T N -0.588 113.940 114.554 -0.043 0.000 2.942 324 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 324 T C 0.317 174.722 174.700 -0.491 0.000 1.062 324 T CA 0.961 62.868 62.100 -0.321 0.000 1.139 324 T CB -0.058 68.495 68.868 -0.523 0.000 0.883 324 T HN 0.018 nan 8.240 nan 0.000 0.468 325 F N 1.531 121.584 119.950 0.172 0.000 2.531 325 F HA 0.346 4.873 4.527 -0.000 0.000 0.333 325 F C -1.814 174.009 175.800 0.038 0.000 1.292 325 F CA -2.687 55.378 58.000 0.108 0.000 1.184 325 F CB 1.262 40.378 39.000 0.194 0.000 1.426 325 F HN -0.066 nan 8.300 nan 0.000 0.559 326 P HA -0.154 nan 4.420 nan 0.000 0.220 326 P C 0.186 177.504 177.300 0.029 0.000 1.148 326 P CA 1.399 64.544 63.100 0.074 0.000 0.803 326 P CB 0.493 32.214 31.700 0.035 0.000 0.782 327 D N -1.194 119.203 120.400 -0.006 0.000 2.400 327 D HA 0.212 4.852 4.640 -0.000 0.000 0.272 327 D C -1.998 174.178 176.300 -0.205 0.000 1.220 327 D CA -2.280 51.668 54.000 -0.086 0.000 0.897 327 D CB 0.728 41.492 40.800 -0.061 0.000 1.134 327 D HN -0.144 nan 8.370 nan 0.000 0.507 328 P HA -0.105 nan 4.420 nan 0.000 0.215 328 P C 1.217 178.142 177.300 -0.625 0.000 1.157 328 P CA 0.807 63.376 63.100 -0.884 0.000 0.863 328 P CB 0.429 31.136 31.700 -1.654 0.000 0.787 329 E N -0.483 119.467 120.200 -0.416 0.000 2.072 329 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 329 E C 2.202 178.682 176.600 -0.200 0.000 0.985 329 E CA 1.270 57.505 56.400 -0.276 0.000 0.801 329 E CB -0.890 28.696 29.700 -0.189 0.000 0.750 329 E HN 0.131 nan 8.360 nan 0.000 0.452 330 G N 1.352 110.053 108.800 -0.166 0.000 2.418 330 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 330 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 330 G C 1.543 176.378 174.900 -0.109 0.000 1.158 330 G CA 0.946 45.977 45.100 -0.115 0.000 0.771 330 G HN 0.296 nan 8.290 nan 0.000 0.545 331 M N 0.755 120.279 119.600 -0.128 0.000 2.086 331 M HA -0.074 4.406 4.480 -0.000 0.000 0.261 331 M C 2.580 178.828 176.300 -0.086 0.000 1.067 331 M CA 2.073 57.325 55.300 -0.080 0.000 1.116 331 M CB -0.312 32.261 32.600 -0.044 0.000 1.348 331 M HN 0.292 nan 8.290 nan 0.000 0.407 332 I N -0.296 120.175 120.570 -0.166 0.000 2.118 332 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 332 I C 2.241 178.297 176.117 -0.102 0.000 1.070 332 I CA 1.818 63.040 61.300 -0.130 0.000 1.327 332 I CB -1.157 36.728 38.000 -0.191 0.000 1.034 332 I HN 0.260 nan 8.210 nan 0.000 0.405 333 R N 0.498 120.930 120.500 -0.113 0.000 2.091 333 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 333 R C 2.580 178.830 176.300 -0.083 0.000 1.136 333 R CA 1.970 58.011 56.100 -0.098 0.000 0.959 333 R CB -0.465 29.779 30.300 -0.092 0.000 0.856 333 R HN 0.462 nan 8.270 nan 0.000 0.437 334 R N 0.396 120.852 120.500 -0.073 0.000 2.081 334 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 334 R C 2.324 178.585 176.300 -0.066 0.000 1.131 334 R CA 1.202 57.264 56.100 -0.063 0.000 0.960 334 R CB -0.245 30.024 30.300 -0.052 0.000 0.856 334 R HN 0.208 nan 8.270 nan 0.000 0.436 335 L N 0.209 121.395 121.223 -0.062 0.000 2.156 335 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 335 L C 2.289 179.107 176.870 -0.086 0.000 1.095 335 L CA 1.175 55.970 54.840 -0.074 0.000 0.770 335 L CB -0.248 41.779 42.059 -0.053 0.000 0.914 335 L HN 0.080 nan 8.230 nan 0.000 0.439 336 K N 0.299 120.645 120.400 -0.090 0.000 2.097 336 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 336 K C 2.209 178.745 176.600 -0.107 0.000 1.050 336 K CA 1.150 57.368 56.287 -0.115 0.000 0.938 336 K CB -0.164 32.259 32.500 -0.129 0.000 0.718 336 K HN 0.257 nan 8.250 nan 0.000 0.442 337 A N 1.622 124.388 122.820 -0.090 0.000 2.076 337 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 337 A C 1.283 178.822 177.584 -0.074 0.000 1.160 337 A CA 1.335 53.324 52.037 -0.079 0.000 0.653 337 A CB -0.230 18.728 19.000 -0.069 0.000 0.801 337 A HN 0.209 nan 8.150 nan 0.000 0.455 338 K N -0.426 119.927 120.400 -0.078 0.000 2.665 338 K HA 0.260 4.580 4.320 -0.000 0.000 0.214 338 K C 0.735 177.291 176.600 -0.074 0.000 1.032 338 K CA 0.329 56.572 56.287 -0.073 0.000 1.198 338 K CB -0.467 31.986 32.500 -0.078 0.000 0.941 338 K HN 0.573 nan 8.250 nan 0.000 0.491 339 G N 1.755 110.508 108.800 -0.078 0.000 2.295 339 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.287 339 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.287 339 G C -0.254 174.593 174.900 -0.087 0.000 1.055 339 G CA 0.001 45.057 45.100 -0.072 0.000 0.922 339 G HN 0.259 nan 8.290 nan 0.000 0.503 340 L N -0.502 120.646 121.223 -0.124 0.000 2.346 340 L HA 0.591 4.931 4.340 -0.000 0.000 0.274 340 L C 0.392 177.110 176.870 -0.252 0.000 1.007 340 L CA -1.249 53.500 54.840 -0.151 0.000 0.818 340 L CB 1.685 43.680 42.059 -0.106 0.000 1.284 340 L HN -0.088 nan 8.230 nan 0.000 0.424 341 K N 2.771 122.948 120.400 -0.372 0.000 2.098 341 K HA 0.569 4.889 4.320 -0.000 0.000 0.261 341 K C -0.761 175.602 176.600 -0.396 0.000 0.987 341 K CA -0.674 55.267 56.287 -0.577 0.000 0.916 341 K CB 2.092 33.897 32.500 -1.158 0.000 1.039 341 K HN 0.303 nan 8.250 nan 0.000 0.455 342 I N 1.164 121.521 120.570 -0.355 0.000 2.433 342 I HA 0.221 4.391 4.170 -0.000 0.000 0.292 342 I C -0.059 175.920 176.117 -0.230 0.000 1.001 342 I CA -0.806 60.384 61.300 -0.183 0.000 1.119 342 I CB 1.408 39.359 38.000 -0.080 0.000 1.289 342 I HN 0.517 nan 8.210 nan 0.000 0.438 343 C N 7.365 126.572 119.300 -0.154 0.000 2.507 343 C HA 0.857 5.317 4.460 -0.000 0.000 0.319 343 C C -0.153 174.774 174.990 -0.106 0.000 1.208 343 C CA -0.237 58.704 59.018 -0.127 0.000 1.619 343 C CB 0.948 28.695 27.740 0.012 0.000 2.230 343 C HN 0.664 nan 8.230 nan 0.000 0.492 344 V N 2.698 122.540 119.914 -0.119 0.000 2.914 344 V HA 0.694 4.814 4.120 -0.000 0.000 0.314 344 V C -0.794 175.443 176.094 0.238 0.000 1.084 344 V CA -0.908 61.310 62.300 -0.136 0.000 0.963 344 V CB 1.515 33.052 31.823 -0.476 0.000 1.025 344 V HN 1.078 nan 8.190 nan 0.000 0.432 345 W N 5.511 126.891 121.300 0.133 0.000 2.266 345 W HA 0.694 5.354 4.660 -0.000 0.000 0.317 345 W C -0.222 176.534 176.519 0.396 0.000 1.310 345 W CA -0.151 57.390 57.345 0.327 0.000 1.207 345 W CB 0.748 30.357 29.460 0.249 0.000 1.199 345 W HN 0.868 nan 8.180 nan 0.000 0.544 346 I N 4.002 124.306 120.570 -0.443 0.000 3.074 346 I HA 0.629 4.799 4.170 -0.000 0.000 0.310 346 I C -1.008 174.458 176.117 -1.084 0.000 1.153 346 I CA -1.186 59.755 61.300 -0.599 0.000 0.993 346 I CB 2.246 40.192 38.000 -0.090 0.000 1.237 346 I HN 0.713 nan 8.210 nan 0.000 0.443 347 N N 2.018 120.290 118.700 -0.713 0.000 2.972 347 N HA 0.591 5.331 4.740 -0.000 0.000 0.262 347 N C -2.762 172.623 175.510 -0.208 0.000 1.478 347 N CA -1.541 51.240 53.050 -0.447 0.000 0.841 347 N CB 2.506 40.659 38.487 -0.557 0.000 1.512 347 N HN 0.381 nan 8.380 nan 0.000 0.548 348 P HA 0.263 nan 4.420 nan 0.000 0.266 348 P C -1.280 176.092 177.300 0.119 0.000 1.561 348 P CA 0.185 63.104 63.100 -0.302 0.000 1.089 348 P CB -0.270 30.990 31.700 -0.733 0.000 1.534 349 Y N 0.057 120.521 120.300 0.273 0.000 2.621 349 Y HA 0.654 5.204 4.550 -0.000 0.000 0.334 349 Y C 0.338 176.394 175.900 0.261 0.000 1.074 349 Y CA -2.416 55.814 58.100 0.216 0.000 1.149 349 Y CB 1.280 39.881 38.460 0.236 0.000 1.302 349 Y HN -0.262 nan 8.280 nan 0.000 0.501 350 I N 0.571 121.330 120.570 0.314 0.000 2.610 350 I HA 0.664 4.834 4.170 -0.000 0.000 0.289 350 I C -0.152 176.159 176.117 0.323 0.000 1.163 350 I CA -0.461 61.002 61.300 0.273 0.000 1.044 350 I CB 1.529 39.581 38.000 0.088 0.000 1.251 350 I HN 0.750 nan 8.210 nan 0.000 0.424 351 G N 4.411 113.361 108.800 0.250 0.000 2.527 351 G HA2 0.099 4.059 3.960 -0.000 0.000 0.248 351 G HA3 0.099 4.059 3.960 -0.000 0.000 0.248 351 G C 0.277 175.182 174.900 0.009 0.000 1.231 351 G CA -0.217 44.948 45.100 0.108 0.000 0.838 351 G HN 0.838 nan 8.290 nan 0.000 0.570 352 Q N 0.772 120.356 119.800 -0.361 0.000 2.224 352 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 352 Q C 2.248 177.942 176.000 -0.511 0.000 0.970 352 Q CA 1.427 56.615 55.803 -1.025 0.000 0.865 352 Q CB -0.064 28.088 28.738 -0.976 0.000 0.922 352 Q HN 0.703 nan 8.270 nan 0.000 0.445 353 K N 0.316 120.560 120.400 -0.260 0.000 2.152 353 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 353 K C 0.625 177.198 176.600 -0.046 0.000 1.048 353 K CA 0.761 56.965 56.287 -0.138 0.000 0.933 353 K CB -0.116 32.339 32.500 -0.075 0.000 0.721 353 K HN 0.033 nan 8.250 nan 0.000 0.447 354 S N 1.006 116.714 115.700 0.013 0.000 2.537 354 S HA 0.069 4.539 4.470 -0.000 0.000 0.286 354 S C -1.860 172.821 174.600 0.134 0.000 1.299 354 S CA -1.395 56.867 58.200 0.103 0.000 1.067 354 S CB 0.900 64.207 63.200 0.177 0.000 0.864 354 S HN 0.076 nan 8.310 nan 0.000 0.494 355 P HA -0.123 nan 4.420 nan 0.000 0.217 355 P C 1.287 178.696 177.300 0.182 0.000 1.148 355 P CA 0.818 63.999 63.100 0.136 0.000 0.834 355 P CB -0.007 31.769 31.700 0.127 0.000 0.783 356 V N -1.638 118.415 119.914 0.231 0.000 2.667 356 V HA -0.201 3.919 4.120 -0.000 0.000 0.252 356 V C 2.069 178.274 176.094 0.186 0.000 1.065 356 V CA 1.189 63.650 62.300 0.269 0.000 1.083 356 V CB -1.374 30.695 31.823 0.409 0.000 0.692 356 V HN 0.023 nan 8.190 nan 0.000 0.468 357 F N 1.508 121.482 119.950 0.039 0.000 2.065 357 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 357 F C 2.506 178.273 175.800 -0.056 0.000 1.112 357 F CA 2.434 60.415 58.000 -0.032 0.000 1.212 357 F CB -0.218 38.766 39.000 -0.027 0.000 0.975 357 F HN -0.005 nan 8.300 nan 0.000 0.476 358 K N 0.212 120.778 120.400 0.277 0.000 2.063 358 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 358 K C 2.271 178.870 176.600 -0.003 0.000 1.048 358 K CA 1.821 58.193 56.287 0.140 0.000 0.928 358 K CB -0.387 32.186 32.500 0.122 0.000 0.713 358 K HN 0.499 nan 8.250 nan 0.000 0.442 359 E N 0.663 120.863 120.200 0.001 0.000 2.051 359 E HA -0.214 4.136 4.350 -0.000 0.000 0.192 359 E C 2.072 178.535 176.600 -0.229 0.000 0.991 359 E CA 1.206 57.573 56.400 -0.054 0.000 0.799 359 E CB -0.089 29.644 29.700 0.054 0.000 0.748 359 E HN 0.313 nan 8.360 nan 0.000 0.449 360 L N 0.639 121.674 121.223 -0.314 0.000 2.083 360 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 360 L C 2.948 179.546 176.870 -0.453 0.000 1.083 360 L CA 1.557 56.104 54.840 -0.489 0.000 0.752 360 L CB -0.468 41.280 42.059 -0.518 0.000 0.899 360 L HN 0.323 nan 8.230 nan 0.000 0.433 361 Q N 0.408 119.970 119.800 -0.396 0.000 2.046 361 Q HA -0.238 4.102 4.340 -0.000 0.000 0.200 361 Q C 2.038 177.910 176.000 -0.213 0.000 0.975 361 Q CA 1.655 57.275 55.803 -0.306 0.000 0.836 361 Q CB 0.055 28.657 28.738 -0.226 0.000 0.896 361 Q HN 0.483 nan 8.270 nan 0.000 0.428 362 E N 0.354 120.444 120.200 -0.184 0.000 2.051 362 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 362 E C 1.912 178.391 176.600 -0.202 0.000 0.991 362 E CA 1.356 57.670 56.400 -0.144 0.000 0.799 362 E CB 0.101 29.742 29.700 -0.099 0.000 0.748 362 E HN 0.269 nan 8.360 nan 0.000 0.449 363 K N -0.799 119.385 120.400 -0.360 0.000 2.362 363 K HA -0.031 4.289 4.320 -0.000 0.000 0.200 363 K C 0.999 177.314 176.600 -0.475 0.000 1.046 363 K CA 0.589 56.544 56.287 -0.553 0.000 0.952 363 K CB 0.176 32.002 32.500 -1.124 0.000 0.753 363 K HN 0.287 nan 8.250 nan 0.000 0.466 364 G N 0.813 109.427 108.800 -0.311 0.000 2.160 364 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.244 364 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.244 364 G C 0.130 175.082 174.900 0.087 0.000 1.022 364 G CA -0.076 44.977 45.100 -0.077 0.000 0.741 364 G HN 0.235 nan 8.290 nan 0.000 0.508 365 Y N -0.472 119.749 120.300 -0.133 0.000 2.466 365 Y HA 0.439 4.989 4.550 -0.000 0.000 0.272 365 Y C 1.724 177.533 175.900 -0.152 0.000 1.169 365 Y CA -0.557 57.465 58.100 -0.129 0.000 1.285 365 Y CB 0.086 38.435 38.460 -0.184 0.000 1.078 365 Y HN 0.325 nan 8.280 nan 0.000 0.523 366 L N 0.339 121.522 121.223 -0.066 0.000 2.331 366 L HA 0.331 4.671 4.340 -0.000 0.000 0.275 366 L C -0.353 176.438 176.870 -0.133 0.000 1.022 366 L CA -1.337 53.394 54.840 -0.182 0.000 0.812 366 L CB 1.589 43.447 42.059 -0.336 0.000 1.257 366 L HN -0.158 nan 8.230 nan 0.000 0.435 367 L N 3.025 124.135 121.223 -0.189 0.000 2.453 367 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 367 L C -0.279 176.480 176.870 -0.184 0.000 1.182 367 L CA 0.565 55.228 54.840 -0.293 0.000 0.858 367 L CB 0.016 41.743 42.059 -0.553 0.000 1.120 367 L HN 0.466 nan 8.230 nan 0.000 0.474 368 K N 5.086 125.375 120.400 -0.184 0.000 2.208 368 K HA 0.535 4.855 4.320 -0.000 0.000 0.247 368 K C -0.437 176.111 176.600 -0.087 0.000 0.953 368 K CA -0.942 55.293 56.287 -0.086 0.000 0.837 368 K CB 1.673 34.139 32.500 -0.057 0.000 1.131 368 K HN 0.567 nan 8.250 nan 0.000 0.431 369 R N 1.067 121.563 120.500 -0.007 0.000 2.637 369 R HA 0.077 4.417 4.340 -0.000 0.000 0.269 369 R C -1.675 174.615 176.300 -0.017 0.000 1.089 369 R CA -1.672 54.432 56.100 0.008 0.000 1.177 369 R CB -0.014 30.312 30.300 0.042 0.000 1.091 369 R HN 0.337 nan 8.270 nan 0.000 0.540 370 P HA -0.192 nan 4.420 nan 0.000 0.218 370 P C 0.374 177.672 177.300 -0.004 0.000 1.146 370 P CA 1.341 64.437 63.100 -0.007 0.000 0.813 370 P CB 0.028 31.731 31.700 0.005 0.000 0.778 371 D N -1.655 118.745 120.400 -0.000 0.000 2.363 371 D HA 0.012 4.652 4.640 -0.000 0.000 0.220 371 D C 1.512 177.809 176.300 -0.005 0.000 0.994 371 D CA 1.010 55.009 54.000 -0.002 0.000 0.890 371 D CB -0.889 39.911 40.800 -0.001 0.000 0.906 371 D HN 0.270 nan 8.370 nan 0.000 0.530 372 G N -0.133 108.662 108.800 -0.008 0.000 2.213 372 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.226 372 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.226 372 G C 0.428 175.321 174.900 -0.012 0.000 0.992 372 G CA 0.354 45.449 45.100 -0.010 0.000 0.632 372 G HN 0.850 nan 8.290 nan 0.000 0.511 373 S N 0.630 116.324 115.700 -0.011 0.000 2.593 373 S HA 0.685 5.155 4.470 -0.000 0.000 0.269 373 S C 0.662 175.255 174.600 -0.012 0.000 1.334 373 S CA -0.654 57.539 58.200 -0.013 0.000 1.015 373 S CB 1.214 64.404 63.200 -0.016 0.000 0.912 373 S HN 0.714 nan 8.310 nan 0.000 0.541 374 L N 1.071 122.287 121.223 -0.012 0.000 2.426 374 L HA 0.223 4.563 4.340 -0.000 0.000 0.271 374 L C 0.204 177.081 176.870 0.012 0.000 1.169 374 L CA -0.609 54.228 54.840 -0.004 0.000 0.836 374 L CB 0.214 42.275 42.059 0.002 0.000 1.112 374 L HN 0.833 nan 8.230 nan 0.000 0.465 375 W N 4.095 125.306 121.300 -0.149 0.000 2.304 375 W HA 0.256 4.916 4.660 -0.000 0.000 0.313 375 W C -0.369 176.068 176.519 -0.137 0.000 1.323 375 W CA 0.026 57.269 57.345 -0.170 0.000 1.223 375 W CB 0.460 29.758 29.460 -0.270 0.000 1.237 375 W HN 0.435 nan 8.180 nan 0.000 0.535 376 Q N 5.758 125.022 119.800 -0.893 0.000 2.377 376 Q HA 0.361 4.701 4.340 -0.000 0.000 0.279 376 Q C -1.025 174.444 176.000 -0.885 0.000 1.049 376 Q CA -0.878 54.520 55.803 -0.674 0.000 0.825 376 Q CB 2.559 31.155 28.738 -0.238 0.000 1.401 376 Q HN 0.579 nan 8.270 nan 0.000 0.404 377 W N 0.817 121.682 121.300 -0.726 0.000 3.003 377 W HA 0.499 5.159 4.660 -0.000 0.000 0.362 377 W C -1.065 175.334 176.519 -0.200 0.000 1.213 377 W CA -0.934 56.146 57.345 -0.442 0.000 1.157 377 W CB -0.028 29.180 29.460 -0.420 0.000 1.493 377 W HN 0.492 nan 8.180 nan 0.000 0.589 378 D N 0.455 120.820 120.400 -0.060 0.000 2.395 378 D HA 0.118 4.757 4.640 -0.000 0.000 0.213 378 D C -0.290 175.868 176.300 -0.236 0.000 1.110 378 D CA 0.139 54.058 54.000 -0.135 0.000 0.835 378 D CB 0.524 41.241 40.800 -0.137 0.000 0.965 378 D HN 0.156 nan 8.370 nan 0.000 0.505 379 K N 0.283 120.323 120.400 -0.601 0.000 2.270 379 K HA 0.039 4.359 4.320 -0.000 0.000 0.276 379 K C 0.658 177.329 176.600 0.119 0.000 1.023 379 K CA -0.346 55.680 56.287 -0.436 0.000 0.955 379 K CB 1.598 33.498 32.500 -1.000 0.000 0.975 379 K HN 0.088 nan 8.250 nan 0.000 0.471 380 W N 0.363 121.691 121.300 0.047 0.000 0.649 380 W HA -0.364 4.296 4.660 -0.000 0.000 0.221 380 W C -0.831 175.777 176.519 0.148 0.000 1.002 380 W CA 1.512 58.971 57.345 0.190 0.000 0.879 380 W CB -0.494 29.122 29.460 0.260 0.000 1.806 380 W HN 0.547 nan 8.180 nan 0.000 0.496 381 Q N 0.622 120.453 119.800 0.051 0.000 2.397 381 Q HA 0.447 4.787 4.340 -0.000 0.000 0.275 381 Q C -2.327 173.656 176.000 -0.028 0.000 1.090 381 Q CA -1.832 53.921 55.803 -0.084 0.000 0.809 381 Q CB 1.478 30.192 28.738 -0.039 0.000 1.362 381 Q HN -0.096 nan 8.270 nan 0.000 0.431 382 P HA 0.071 nan 4.420 nan 0.000 0.271 382 P C 0.446 177.654 177.300 -0.155 0.000 1.216 382 P CA 0.562 63.544 63.100 -0.196 0.000 0.771 382 P CB 0.357 31.827 31.700 -0.384 0.000 0.864 383 G N 2.834 111.558 108.800 -0.127 0.000 2.321 383 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.287 383 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.287 383 G C 0.029 174.933 174.900 0.007 0.000 1.018 383 G CA -0.142 44.885 45.100 -0.122 0.000 0.855 383 G HN 0.623 nan 8.290 nan 0.000 0.507 384 L N 0.073 121.370 121.223 0.122 0.000 2.559 384 L HA 0.502 4.842 4.340 -0.000 0.000 0.274 384 L C 0.765 177.781 176.870 0.243 0.000 1.205 384 L CA 0.467 55.458 54.840 0.252 0.000 0.907 384 L CB 0.383 42.670 42.059 0.380 0.000 1.153 384 L HN 0.539 nan 8.230 nan 0.000 0.490 385 A N 6.255 129.243 122.820 0.280 0.000 2.344 385 A HA 0.809 5.129 4.320 -0.000 0.000 0.307 385 A C -0.776 176.848 177.584 0.067 0.000 1.151 385 A CA -0.746 51.392 52.037 0.168 0.000 0.842 385 A CB 1.069 20.084 19.000 0.025 0.000 1.350 385 A HN 0.701 nan 8.150 nan 0.000 0.459 386 I N 0.111 120.654 120.570 -0.045 0.000 2.465 386 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 386 I C -1.269 174.726 176.117 -0.202 0.000 1.014 386 I CA -0.427 60.826 61.300 -0.079 0.000 1.093 386 I CB 1.649 39.506 38.000 -0.238 0.000 1.267 386 I HN 0.619 nan 8.210 nan 0.000 0.431 387 Y N 3.742 123.930 120.300 -0.187 0.000 2.677 387 Y HA -0.035 4.515 4.550 -0.000 0.000 0.335 387 Y C 0.725 176.336 175.900 -0.482 0.000 1.162 387 Y CA 0.055 57.920 58.100 -0.392 0.000 1.483 387 Y CB 0.034 38.099 38.460 -0.658 0.000 1.209 387 Y HN 0.430 nan 8.280 nan 0.000 0.528 388 D N 4.604 124.971 120.400 -0.055 0.000 2.402 388 D HA 0.016 4.656 4.640 -0.000 0.000 0.235 388 D C -0.037 176.392 176.300 0.214 0.000 1.226 388 D CA 0.167 54.265 54.000 0.162 0.000 0.918 388 D CB -0.226 40.671 40.800 0.162 0.000 1.043 388 D HN 0.537 nan 8.370 nan 0.000 0.506 389 F N 1.255 121.391 119.950 0.310 0.000 2.804 389 F HA -0.020 4.506 4.527 -0.000 0.000 0.303 389 F C 2.290 178.120 175.800 0.049 0.000 1.154 389 F CA 0.003 58.032 58.000 0.048 0.000 1.401 389 F CB 0.332 39.237 39.000 -0.158 0.000 1.106 389 F HN 0.333 nan 8.300 nan 0.000 0.568 390 T N -3.582 111.173 114.554 0.335 0.000 3.107 390 T HA -0.016 4.334 4.350 -0.000 0.000 0.249 390 T C 0.666 175.487 174.700 0.200 0.000 1.096 390 T CA -0.130 62.131 62.100 0.268 0.000 1.012 390 T CB -0.268 68.806 68.868 0.342 0.000 0.977 390 T HN -0.019 nan 8.240 nan 0.000 0.527 391 N N 2.625 121.333 118.700 0.014 0.000 2.437 391 N HA 0.266 5.006 4.740 -0.000 0.000 0.243 391 N C -1.940 173.369 175.510 -0.335 0.000 1.041 391 N CA -2.331 50.410 53.050 -0.514 0.000 0.940 391 N CB 1.884 40.081 38.487 -0.484 0.000 1.133 391 N HN -0.008 nan 8.380 nan 0.000 0.506 392 P HA -0.133 nan 4.420 nan 0.000 0.217 392 P C 0.466 177.659 177.300 -0.178 0.000 1.151 392 P CA 1.262 64.269 63.100 -0.155 0.000 0.849 392 P CB 0.504 32.152 31.700 -0.087 0.000 0.787 393 D N -0.800 119.441 120.400 -0.266 0.000 2.123 393 D HA -0.049 4.591 4.640 -0.000 0.000 0.200 393 D C 2.083 178.008 176.300 -0.625 0.000 0.976 393 D CA 1.378 55.213 54.000 -0.274 0.000 0.831 393 D CB -0.763 39.977 40.800 -0.100 0.000 0.974 393 D HN 0.050 nan 8.370 nan 0.000 0.469 394 A N 0.563 122.843 122.820 -0.900 0.000 1.908 394 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 394 A C 2.533 180.070 177.584 -0.078 0.000 1.181 394 A CA 1.496 53.082 52.037 -0.751 0.000 0.627 394 A CB -1.002 17.814 19.000 -0.306 0.000 0.818 394 A HN 0.355 nan 8.150 nan 0.000 0.445 395 C N -0.893 118.390 119.300 -0.029 0.000 2.425 395 C HA -0.042 4.418 4.460 -0.000 0.000 0.277 395 C C 2.684 177.680 174.990 0.010 0.000 1.280 395 C CA 1.288 60.318 59.018 0.020 0.000 1.744 395 C CB -0.985 26.712 27.740 -0.072 0.000 1.989 395 C HN 0.731 nan 8.230 nan 0.000 0.491 396 K N -0.676 119.712 120.400 -0.020 0.000 2.097 396 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 396 K C 2.024 178.657 176.600 0.055 0.000 1.050 396 K CA 1.460 57.744 56.287 -0.005 0.000 0.938 396 K CB -0.308 32.186 32.500 -0.009 0.000 0.718 396 K HN 0.675 nan 8.250 nan 0.000 0.442 397 W N 0.416 121.668 121.300 -0.081 0.000 2.338 397 W HA -0.277 4.383 4.660 -0.000 0.000 0.304 397 W C 1.909 178.430 176.519 0.004 0.000 1.212 397 W CA 1.782 59.133 57.345 0.010 0.000 1.264 397 W CB -0.261 29.262 29.460 0.105 0.000 1.142 397 W HN 0.186 nan 8.180 nan 0.000 0.512 398 Y N 0.453 120.909 120.300 0.259 0.000 2.220 398 Y HA -0.071 4.479 4.550 -0.000 0.000 0.291 398 Y C 2.364 178.096 175.900 -0.279 0.000 1.129 398 Y CA 2.351 60.484 58.100 0.056 0.000 1.161 398 Y CB -0.838 37.694 38.460 0.120 0.000 0.997 398 Y HN -0.037 nan 8.280 nan 0.000 0.522 399 A N 0.002 122.810 122.820 -0.020 0.000 1.933 399 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 399 A C 1.833 179.256 177.584 -0.269 0.000 1.175 399 A CA 2.031 53.972 52.037 -0.161 0.000 0.628 399 A CB -0.753 18.178 19.000 -0.116 0.000 0.814 399 A HN 0.500 nan 8.150 nan 0.000 0.444 400 D N -0.192 120.043 120.400 -0.275 0.000 2.144 400 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 400 D C 1.885 177.916 176.300 -0.447 0.000 0.978 400 D CA 0.932 54.747 54.000 -0.308 0.000 0.833 400 D CB -0.118 40.516 40.800 -0.276 0.000 0.961 400 D HN 0.200 nan 8.370 nan 0.000 0.470 401 K N 0.420 120.394 120.400 -0.710 0.000 2.097 401 K HA -0.045 4.274 4.320 -0.000 0.000 0.206 401 K C 2.323 178.465 176.600 -0.763 0.000 1.049 401 K CA 0.402 56.136 56.287 -0.922 0.000 0.933 401 K CB -0.512 30.971 32.500 -1.694 0.000 0.717 401 K HN 0.273 nan 8.250 nan 0.000 0.442 402 L N 0.775 121.554 121.223 -0.740 0.000 2.056 402 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 402 L C 2.369 179.147 176.870 -0.154 0.000 1.078 402 L CA 1.269 55.833 54.840 -0.459 0.000 0.749 402 L CB -0.367 41.350 42.059 -0.570 0.000 0.901 402 L HN 0.115 nan 8.230 nan 0.000 0.433 403 K N 0.239 120.526 120.400 -0.189 0.000 2.097 403 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 403 K C 2.188 178.731 176.600 -0.095 0.000 1.049 403 K CA 1.259 57.480 56.287 -0.111 0.000 0.933 403 K CB -0.548 31.876 32.500 -0.126 0.000 0.717 403 K HN 0.404 nan 8.250 nan 0.000 0.442 404 G N 1.669 110.386 108.800 -0.139 0.000 2.476 404 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 404 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 404 G C 1.482 176.364 174.900 -0.031 0.000 1.164 404 G CA 0.825 45.869 45.100 -0.094 0.000 0.768 404 G HN 0.115 nan 8.290 nan 0.000 0.560 405 L N 0.026 121.248 121.223 -0.002 0.000 2.056 405 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 405 L C 3.018 179.898 176.870 0.016 0.000 1.078 405 L CA 0.316 55.197 54.840 0.069 0.000 0.749 405 L CB -0.413 41.751 42.059 0.175 0.000 0.901 405 L HN 0.095 nan 8.230 nan 0.000 0.433 406 V N 0.173 120.102 119.914 0.025 0.000 2.343 406 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 406 V C 2.761 178.815 176.094 -0.067 0.000 1.051 406 V CA 1.836 64.110 62.300 -0.043 0.000 1.036 406 V CB -0.945 30.866 31.823 -0.020 0.000 0.654 406 V HN 0.494 nan 8.190 nan 0.000 0.451 407 A N -0.698 122.089 122.820 -0.055 0.000 1.978 407 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 407 A C 2.221 179.763 177.584 -0.070 0.000 1.170 407 A CA 2.253 54.253 52.037 -0.062 0.000 0.636 407 A CB -0.543 18.423 19.000 -0.056 0.000 0.810 407 A HN 0.552 nan 8.150 nan 0.000 0.448 408 M N -1.461 118.098 119.600 -0.068 0.000 2.618 408 M HA 0.199 4.679 4.480 -0.000 0.000 0.240 408 M C 1.136 177.366 176.300 -0.117 0.000 1.123 408 M CA 1.155 56.401 55.300 -0.089 0.000 1.060 408 M CB 0.170 32.728 32.600 -0.070 0.000 1.535 408 M HN 0.599 nan 8.290 nan 0.000 0.507 409 G N 0.225 108.955 108.800 -0.116 0.000 2.184 409 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.206 409 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.206 409 G C -0.119 174.679 174.900 -0.171 0.000 0.995 409 G CA -0.030 44.986 45.100 -0.140 0.000 0.651 409 G HN 0.295 nan 8.290 nan 0.000 0.511 410 V N 1.845 121.653 119.914 -0.177 0.000 2.585 410 V HA 0.209 4.329 4.120 -0.000 0.000 0.296 410 V C 1.113 177.016 176.094 -0.319 0.000 1.035 410 V CA 0.913 63.057 62.300 -0.260 0.000 1.084 410 V CB 1.300 32.936 31.823 -0.311 0.000 0.953 410 V HN 0.329 nan 8.190 nan 0.000 0.483 411 D N 2.241 122.433 120.400 -0.347 0.000 2.338 411 D HA 0.126 4.766 4.640 -0.000 0.000 0.208 411 D C 0.473 176.616 176.300 -0.261 0.000 0.997 411 D CA 0.885 54.715 54.000 -0.283 0.000 0.880 411 D CB 0.757 41.349 40.800 -0.348 0.000 0.980 411 D HN 0.763 nan 8.370 nan 0.000 0.509 412 C N -1.446 117.591 119.300 -0.439 0.000 3.320 412 C HA 0.762 5.222 4.460 -0.000 0.000 0.335 412 C C -1.460 173.149 174.990 -0.634 0.000 1.430 412 C CA -1.341 57.473 59.018 -0.340 0.000 1.271 412 C CB 0.758 28.555 27.740 0.095 0.000 1.609 412 C HN -0.026 nan 8.230 nan 0.000 0.457 413 F N 0.418 120.419 119.950 0.085 0.000 2.576 413 F HA 0.625 5.152 4.527 -0.000 0.000 0.313 413 F C 0.091 175.930 175.800 0.065 0.000 1.078 413 F CA -0.671 57.368 58.000 0.064 0.000 0.921 413 F CB 1.761 40.775 39.000 0.022 0.000 1.232 413 F HN 0.748 nan 8.300 nan 0.000 0.459 414 K N 1.771 122.320 120.400 0.248 0.000 2.250 414 K HA 0.237 4.557 4.320 -0.000 0.000 0.280 414 K C -0.451 176.120 176.600 -0.047 0.000 1.098 414 K CA -0.319 55.999 56.287 0.053 0.000 0.916 414 K CB 0.479 32.968 32.500 -0.018 0.000 1.209 414 K HN 0.751 nan 8.250 nan 0.000 0.461 415 T N 1.251 115.760 114.554 -0.075 0.000 3.455 415 T HA 0.081 4.431 4.350 -0.000 0.000 0.286 415 T C -0.030 174.620 174.700 -0.083 0.000 1.157 415 T CA -0.823 61.185 62.100 -0.152 0.000 1.090 415 T CB 0.153 68.758 68.868 -0.438 0.000 1.112 415 T HN 0.399 nan 8.240 nan 0.000 0.779 416 D N 1.323 121.667 120.400 -0.093 0.000 2.348 416 D HA 0.500 5.140 4.640 -0.000 0.000 0.249 416 D C 0.674 177.112 176.300 0.230 0.000 1.110 416 D CA -0.830 53.151 54.000 -0.032 0.000 0.967 416 D CB 0.293 41.042 40.800 -0.086 0.000 1.139 416 D HN 0.379 nan 8.370 nan 0.000 0.466 417 F N 0.009 119.939 119.950 -0.034 0.000 2.120 417 F HA -0.184 4.343 4.527 -0.000 0.000 0.303 417 F C 1.837 177.722 175.800 0.142 0.000 0.129 417 F CA 1.394 59.400 58.000 0.010 0.000 0.873 417 F CB -1.495 37.414 39.000 -0.151 0.000 3.943 417 F HN 0.585 nan 8.300 nan 0.000 0.241 418 G N -1.103 107.908 108.800 0.352 0.000 2.184 418 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.206 418 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.206 418 G C 0.716 175.820 174.900 0.341 0.000 0.995 418 G CA 0.644 45.981 45.100 0.395 0.000 0.651 418 G HN 1.035 nan 8.290 nan 0.000 0.511 419 E N 0.677 121.071 120.200 0.323 0.000 2.127 419 E HA 0.077 4.427 4.350 -0.000 0.000 0.191 419 E C 1.378 178.006 176.600 0.047 0.000 0.964 419 E CA 0.007 56.503 56.400 0.160 0.000 0.832 419 E CB -0.186 29.666 29.700 0.253 0.000 0.790 419 E HN 0.445 nan 8.360 nan 0.000 0.465 420 R N 1.642 122.282 120.500 0.233 0.000 4.164 420 R HA 0.246 4.586 4.340 -0.000 0.000 0.195 420 R C -0.327 175.911 176.300 -0.103 0.000 1.712 420 R CA -0.123 56.099 56.100 0.204 0.000 1.457 420 R CB -0.049 30.508 30.300 0.427 0.000 1.387 420 R HN 0.126 nan 8.270 nan 0.000 0.785 421 I N 4.079 124.535 120.570 -0.188 0.000 2.304 421 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 421 I C -1.713 174.294 176.117 -0.184 0.000 1.018 421 I CA -3.089 58.005 61.300 -0.344 0.000 1.260 421 I CB 0.831 38.610 38.000 -0.369 0.000 1.390 421 I HN 0.096 nan 8.210 nan 0.000 0.475 422 P HA 0.209 nan 4.420 nan 0.000 0.274 422 P C 0.512 177.706 177.300 -0.176 0.000 1.246 422 P CA -0.093 62.738 63.100 -0.449 0.000 0.795 422 P CB 0.927 31.975 31.700 -1.088 0.000 1.006 423 T N -4.159 110.396 114.554 0.000 0.000 2.990 423 T HA 0.024 4.374 4.350 -0.000 0.000 0.250 423 T C 0.450 175.175 174.700 0.041 0.000 1.041 423 T CA -0.048 62.114 62.100 0.104 0.000 1.010 423 T CB -0.551 68.438 68.868 0.202 0.000 1.003 423 T HN 0.396 nan 8.240 nan 0.000 0.499 424 D N 1.943 122.346 120.400 0.006 0.000 2.713 424 D HA 0.444 5.084 4.640 -0.000 0.000 0.229 424 D C -0.272 176.024 176.300 -0.006 0.000 1.136 424 D CA -0.429 53.595 54.000 0.040 0.000 1.010 424 D CB 0.346 41.206 40.800 0.101 0.000 1.084 424 D HN 0.239 nan 8.370 nan 0.000 0.495 425 V N 0.103 119.970 119.914 -0.077 0.000 3.242 425 V HA 0.343 4.463 4.120 -0.000 0.000 0.298 425 V C -1.554 174.429 176.094 -0.185 0.000 1.352 425 V CA -0.950 61.223 62.300 -0.212 0.000 1.052 425 V CB 2.783 34.316 31.823 -0.484 0.000 1.101 425 V HN 0.409 nan 8.190 nan 0.000 0.446 426 Q N 1.790 121.446 119.800 -0.239 0.000 2.347 426 Q HA 0.354 4.694 4.340 -0.000 0.000 0.265 426 Q C -1.702 174.197 176.000 -0.167 0.000 1.024 426 Q CA -0.486 55.245 55.803 -0.119 0.000 0.731 426 Q CB 1.081 29.794 28.738 -0.042 0.000 1.245 426 Q HN 0.675 nan 8.270 nan 0.000 0.472 427 W N 2.913 124.235 121.300 0.037 0.000 2.158 427 W HA 0.077 4.737 4.660 -0.000 0.000 0.339 427 W C 1.160 177.748 176.519 0.114 0.000 1.294 427 W CA -0.398 56.998 57.345 0.084 0.000 1.231 427 W CB 0.335 29.851 29.460 0.094 0.000 1.143 427 W HN 0.725 nan 8.180 nan 0.000 0.571 428 F N 2.549 122.675 119.950 0.293 0.000 2.120 428 F HA -0.342 4.185 4.527 -0.000 0.000 0.300 428 F C 2.200 178.108 175.800 0.179 0.000 1.095 428 F CA 2.354 60.469 58.000 0.191 0.000 1.249 428 F CB -0.092 39.020 39.000 0.186 0.000 0.995 428 F HN 0.396 nan 8.300 nan 0.000 0.480 429 D N -0.622 120.009 120.400 0.386 0.000 2.349 429 D HA 0.076 4.716 4.640 -0.000 0.000 0.224 429 D C 1.749 178.124 176.300 0.125 0.000 1.029 429 D CA 0.818 54.955 54.000 0.230 0.000 0.879 429 D CB -0.687 40.280 40.800 0.280 0.000 0.906 429 D HN 0.452 nan 8.370 nan 0.000 0.528 430 G N 0.092 108.981 108.800 0.148 0.000 2.166 430 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.260 430 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.260 430 G C 0.399 175.379 174.900 0.133 0.000 0.986 430 G CA 0.456 45.629 45.100 0.122 0.000 0.683 430 G HN 0.456 nan 8.290 nan 0.000 0.527 431 S N 0.184 115.968 115.700 0.141 0.000 2.559 431 S HA 0.243 4.713 4.470 -0.000 0.000 0.282 431 S C 0.516 175.177 174.600 0.102 0.000 1.336 431 S CA 0.204 58.429 58.200 0.042 0.000 1.037 431 S CB 0.830 63.953 63.200 -0.128 0.000 0.853 431 S HN 0.464 nan 8.310 nan 0.000 0.523 432 D N 1.953 122.379 120.400 0.044 0.000 2.389 432 D HA 0.119 4.759 4.640 -0.000 0.000 0.263 432 D C -1.587 174.797 176.300 0.140 0.000 1.255 432 D CA -1.896 52.159 54.000 0.092 0.000 0.914 432 D CB 0.869 41.704 40.800 0.058 0.000 1.116 432 D HN 0.081 nan 8.370 nan 0.000 0.502 433 P HA -0.126 nan 4.420 nan 0.000 0.222 433 P C 1.100 178.580 177.300 0.300 0.000 1.147 433 P CA 0.796 64.122 63.100 0.376 0.000 0.790 433 P CB 0.309 32.222 31.700 0.354 0.000 0.780 434 Q N -0.233 119.717 119.800 0.250 0.000 2.230 434 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 434 Q C 1.752 177.939 176.000 0.312 0.000 0.963 434 Q CA 1.217 57.212 55.803 0.320 0.000 0.866 434 Q CB -0.217 28.659 28.738 0.230 0.000 0.931 434 Q HN 0.427 nan 8.270 nan 0.000 0.452 435 K N -0.639 119.863 120.400 0.169 0.000 2.284 435 K HA 0.142 4.462 4.320 -0.000 0.000 0.198 435 K C 1.941 178.576 176.600 0.058 0.000 1.048 435 K CA 0.127 56.464 56.287 0.084 0.000 0.987 435 K CB 0.188 32.667 32.500 -0.035 0.000 0.800 435 K HN 0.072 nan 8.250 nan 0.000 0.486 436 M N 0.368 119.978 119.600 0.015 0.000 2.296 436 M HA -0.119 4.361 4.480 -0.000 0.000 0.265 436 M C 1.999 178.319 176.300 0.033 0.000 1.064 436 M CA 1.574 56.816 55.300 -0.097 0.000 1.109 436 M CB -0.867 31.425 32.600 -0.513 0.000 1.396 436 M HN 0.237 nan 8.290 nan 0.000 0.430 437 H N 1.288 120.345 119.070 -0.021 0.000 2.265 437 H HA -0.177 4.379 4.556 -0.000 0.000 0.293 437 H C 1.782 177.018 175.328 -0.154 0.000 1.089 437 H CA 2.604 58.538 56.048 -0.191 0.000 1.244 437 H CB 0.127 29.510 29.762 -0.632 0.000 1.355 437 H HN 0.325 nan 8.280 nan 0.000 0.485 438 N N -0.941 117.725 118.700 -0.058 0.000 2.173 438 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 438 N C 1.929 177.552 175.510 0.189 0.000 1.025 438 N CA 1.216 54.298 53.050 0.053 0.000 0.852 438 N CB -0.685 37.930 38.487 0.214 0.000 0.998 438 N HN 0.472 nan 8.380 nan 0.000 0.427 439 H N 0.094 119.225 119.070 0.102 0.000 2.422 439 H HA -0.115 4.441 4.556 -0.000 0.000 0.298 439 H C 1.752 177.182 175.328 0.170 0.000 1.098 439 H CA 1.309 57.436 56.048 0.133 0.000 1.315 439 H CB -0.384 29.395 29.762 0.028 0.000 1.382 439 H HN 0.252 nan 8.280 nan 0.000 0.523 440 Y N 0.414 120.694 120.300 -0.034 0.000 2.139 440 Y HA -0.354 4.196 4.550 -0.000 0.000 0.282 440 Y C 2.595 178.549 175.900 0.090 0.000 1.179 440 Y CA 2.076 60.160 58.100 -0.026 0.000 1.161 440 Y CB -0.846 37.604 38.460 -0.016 0.000 0.970 440 Y HN 0.307 nan 8.280 nan 0.000 0.511 441 A N -0.678 122.281 122.820 0.232 0.000 1.917 441 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 441 A C 2.152 179.800 177.584 0.107 0.000 1.182 441 A CA 1.951 54.129 52.037 0.234 0.000 0.633 441 A CB -1.602 17.544 19.000 0.243 0.000 0.819 441 A HN 0.752 nan 8.150 nan 0.000 0.448 442 Y N 0.329 120.595 120.300 -0.057 0.000 2.163 442 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 442 Y C 2.052 177.829 175.900 -0.206 0.000 1.136 442 Y CA 1.608 59.662 58.100 -0.077 0.000 1.147 442 Y CB -0.092 38.272 38.460 -0.160 0.000 0.987 442 Y HN 0.231 nan 8.280 nan 0.000 0.509 443 I N 0.071 120.475 120.570 -0.277 0.000 2.226 443 I HA -0.330 3.840 4.170 -0.000 0.000 0.245 443 I C 2.394 178.231 176.117 -0.466 0.000 1.100 443 I CA 1.671 62.763 61.300 -0.348 0.000 1.374 443 I CB -1.746 36.103 38.000 -0.251 0.000 1.057 443 I HN 0.436 nan 8.210 nan 0.000 0.413 444 Y N 2.244 122.201 120.300 -0.571 0.000 2.070 444 Y HA -0.287 4.263 4.550 -0.000 0.000 0.280 444 Y C 2.558 178.135 175.900 -0.538 0.000 1.148 444 Y CA 1.776 59.504 58.100 -0.621 0.000 1.125 444 Y CB -0.176 38.054 38.460 -0.383 0.000 0.975 444 Y HN 0.192 nan 8.280 nan 0.000 0.492 445 N N 0.583 118.912 118.700 -0.618 0.000 2.166 445 N HA -0.219 4.521 4.740 -0.000 0.000 0.186 445 N C 1.794 176.772 175.510 -0.888 0.000 1.019 445 N CA 1.550 54.190 53.050 -0.684 0.000 0.856 445 N CB -0.338 37.906 38.487 -0.405 0.000 0.993 445 N HN 0.618 nan 8.380 nan 0.000 0.426 446 E N 1.516 121.053 120.200 -1.105 0.000 2.051 446 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 446 E C 2.232 178.412 176.600 -0.700 0.000 0.991 446 E CA 0.625 56.236 56.400 -1.314 0.000 0.799 446 E CB -0.128 28.971 29.700 -1.002 0.000 0.748 446 E HN 0.252 nan 8.360 nan 0.000 0.449 447 L N 0.578 121.455 121.223 -0.577 0.000 2.013 447 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 447 L C 2.314 178.982 176.870 -0.336 0.000 1.073 447 L CA 1.373 55.946 54.840 -0.445 0.000 0.753 447 L CB -0.170 41.524 42.059 -0.609 0.000 0.890 447 L HN 0.105 nan 8.230 nan 0.000 0.432 448 V N -0.868 118.840 119.914 -0.343 0.000 2.379 448 V HA -0.294 3.826 4.120 -0.000 0.000 0.245 448 V C 2.149 178.167 176.094 -0.127 0.000 1.044 448 V CA 2.031 64.196 62.300 -0.226 0.000 1.036 448 V CB -0.908 30.776 31.823 -0.232 0.000 0.664 448 V HN 0.704 nan 8.190 nan 0.000 0.453 449 W N 1.445 122.522 121.300 -0.373 0.000 2.318 449 W HA -0.251 4.409 4.660 -0.000 0.000 0.313 449 W C 2.303 178.707 176.519 -0.192 0.000 1.221 449 W CA 2.165 59.340 57.345 -0.283 0.000 1.266 449 W CB -0.342 28.819 29.460 -0.499 0.000 1.150 449 W HN 0.345 nan 8.180 nan 0.000 0.496 450 N N 0.331 118.980 118.700 -0.086 0.000 2.223 450 N HA -0.153 4.587 4.740 -0.000 0.000 0.185 450 N C 1.690 177.116 175.510 -0.140 0.000 1.016 450 N CA 1.578 54.568 53.050 -0.099 0.000 0.863 450 N CB -0.864 37.572 38.487 -0.085 0.000 0.983 450 N HN 0.037 nan 8.380 nan 0.000 0.429 451 V N 1.024 120.850 119.914 -0.147 0.000 2.343 451 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 451 V C 2.191 178.214 176.094 -0.119 0.000 1.051 451 V CA 1.115 63.341 62.300 -0.122 0.000 1.036 451 V CB -0.306 31.444 31.823 -0.121 0.000 0.654 451 V HN 0.181 nan 8.190 nan 0.000 0.451 452 L N -0.370 120.750 121.223 -0.172 0.000 2.044 452 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 452 L C 2.329 179.045 176.870 -0.258 0.000 1.075 452 L CA 1.712 56.423 54.840 -0.214 0.000 0.747 452 L CB -1.262 40.601 42.059 -0.326 0.000 0.903 452 L HN 0.269 nan 8.230 nan 0.000 0.435 453 K N -0.246 119.943 120.400 -0.353 0.000 2.077 453 K HA -0.241 4.079 4.320 -0.000 0.000 0.213 453 K C 1.489 178.013 176.600 -0.126 0.000 1.051 453 K CA 1.968 58.116 56.287 -0.231 0.000 0.929 453 K CB -0.166 32.236 32.500 -0.163 0.000 0.715 453 K HN 0.329 nan 8.250 nan 0.000 0.451 454 D N -1.081 119.253 120.400 -0.111 0.000 2.347 454 D HA -0.054 4.586 4.640 -0.000 0.000 0.213 454 D C 1.648 177.906 176.300 -0.070 0.000 0.985 454 D CA 1.225 55.179 54.000 -0.075 0.000 0.879 454 D CB 0.287 41.045 40.800 -0.070 0.000 0.919 454 D HN 0.453 nan 8.370 nan 0.000 0.526 455 T N -2.247 112.259 114.554 -0.081 0.000 3.478 455 T HA -0.008 4.342 4.350 -0.000 0.000 0.223 455 T C 2.029 176.689 174.700 -0.067 0.000 0.958 455 T CA 0.701 62.760 62.100 -0.068 0.000 1.324 455 T CB -0.716 68.114 68.868 -0.063 0.000 1.262 455 T HN -0.060 nan 8.240 nan 0.000 0.379 456 V N 0.125 119.994 119.914 -0.075 0.000 2.970 456 V HA 0.509 4.629 4.120 -0.000 0.000 0.260 456 V C 1.331 177.394 176.094 -0.051 0.000 1.100 456 V CA 0.245 62.509 62.300 -0.060 0.000 1.122 456 V CB -1.740 30.052 31.823 -0.051 0.000 0.721 456 V HN 1.352 nan 8.190 nan 0.000 0.483 457 G N 0.316 109.071 108.800 -0.075 0.000 2.712 457 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.686 457 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.686 457 G C 0.079 174.922 174.900 -0.095 0.000 1.181 457 G CA 0.188 45.250 45.100 -0.062 0.000 0.762 457 G HN 0.553 nan 8.290 nan 0.000 0.641 458 E N 0.427 120.582 120.200 -0.076 0.000 2.097 458 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 458 E C 2.115 178.697 176.600 -0.030 0.000 1.000 458 E CA 2.395 58.751 56.400 -0.074 0.000 0.804 458 E CB -0.023 29.695 29.700 0.030 0.000 0.740 458 E HN 0.685 nan 8.360 nan 0.000 0.454 459 E N 0.547 120.758 120.200 0.019 0.000 2.265 459 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 459 E C 1.441 178.071 176.600 0.049 0.000 0.996 459 E CA 1.036 57.473 56.400 0.061 0.000 0.832 459 E CB -0.024 29.723 29.700 0.078 0.000 0.756 459 E HN 0.295 nan 8.360 nan 0.000 0.491 460 E N 0.108 120.320 120.200 0.020 0.000 2.474 460 E HA 0.237 4.587 4.350 -0.000 0.000 0.195 460 E C 0.010 176.601 176.600 -0.016 0.000 1.039 460 E CA 0.189 56.641 56.400 0.086 0.000 0.881 460 E CB 0.418 30.192 29.700 0.125 0.000 0.970 460 E HN 0.221 nan 8.360 nan 0.000 0.486 461 A N 1.198 123.888 122.820 -0.217 0.000 2.366 461 A HA 0.467 4.787 4.320 -0.000 0.000 0.272 461 A C -0.123 177.251 177.584 -0.350 0.000 1.135 461 A CA -0.221 51.498 52.037 -0.531 0.000 0.804 461 A CB 0.867 19.089 19.000 -1.296 0.000 1.064 461 A HN 0.019 nan 8.150 nan 0.000 0.499 462 V N 3.464 123.286 119.914 -0.153 0.000 3.167 462 V HA 0.621 4.741 4.120 -0.000 0.000 0.293 462 V C -1.431 174.801 176.094 0.230 0.000 1.379 462 V CA -0.510 61.871 62.300 0.136 0.000 1.019 462 V CB 2.024 33.833 31.823 -0.023 0.000 1.115 462 V HN 0.918 nan 8.190 nan 0.000 0.442 463 L N 3.748 125.138 121.223 0.279 0.000 2.341 463 L HA 0.677 5.017 4.340 -0.000 0.000 0.254 463 L C -1.650 175.355 176.870 0.226 0.000 1.040 463 L CA -0.601 54.378 54.840 0.232 0.000 0.837 463 L CB 2.422 44.574 42.059 0.155 0.000 1.425 463 L HN 0.522 nan 8.230 nan 0.000 0.414 464 F N 1.326 121.173 119.950 -0.173 0.000 2.366 464 F HA 0.630 5.157 4.527 -0.000 0.000 0.366 464 F C 0.220 175.860 175.800 -0.266 0.000 1.096 464 F CA -0.938 56.861 58.000 -0.335 0.000 1.060 464 F CB 1.460 40.122 39.000 -0.563 0.000 1.282 464 F HN 0.347 nan 8.300 nan 0.000 0.450 465 A N 4.412 127.127 122.820 -0.176 0.000 2.288 465 A HA 0.567 4.887 4.320 -0.000 0.000 0.320 465 A C 1.131 178.692 177.584 -0.037 0.000 1.217 465 A CA -0.599 51.332 52.037 -0.178 0.000 0.840 465 A CB 0.915 19.713 19.000 -0.337 0.000 1.179 465 A HN 0.843 nan 8.150 nan 0.000 0.504 466 R N 1.367 121.874 120.500 0.011 0.000 2.140 466 R HA 0.032 4.372 4.340 -0.000 0.000 0.213 466 R C 0.729 177.028 176.300 -0.002 0.000 1.059 466 R CA 1.433 57.525 56.100 -0.014 0.000 1.000 466 R CB 0.061 30.287 30.300 -0.125 0.000 0.910 466 R HN 0.817 nan 8.270 nan 0.000 0.455 467 S N -1.076 114.687 115.700 0.106 0.000 2.739 467 S HA 0.872 5.342 4.470 -0.000 0.000 0.306 467 S C -0.638 174.093 174.600 0.219 0.000 1.115 467 S CA -0.485 57.828 58.200 0.189 0.000 0.985 467 S CB 2.277 65.617 63.200 0.233 0.000 1.133 467 S HN 0.260 nan 8.310 nan 0.000 0.541 468 A N -0.073 122.873 122.820 0.209 0.000 2.566 468 A HA 0.866 5.186 4.320 -0.000 0.000 0.290 468 A C -0.581 177.144 177.584 0.234 0.000 1.071 468 A CA -0.429 51.753 52.037 0.242 0.000 0.658 468 A CB 0.952 20.024 19.000 0.120 0.000 1.285 468 A HN 1.383 nan 8.150 nan 0.000 0.427 469 S N -1.165 114.713 115.700 0.296 0.000 2.656 469 S HA 0.609 5.079 4.470 -0.000 0.000 0.273 469 S C -0.955 173.772 174.600 0.212 0.000 1.168 469 S CA -0.130 58.240 58.200 0.285 0.000 0.817 469 S CB 1.229 64.638 63.200 0.347 0.000 1.146 469 S HN 1.585 nan 8.310 nan 0.000 0.475 470 V N 2.665 122.584 119.914 0.008 0.000 2.644 470 V HA 0.399 4.519 4.120 -0.000 0.000 0.305 470 V C 1.812 177.748 176.094 -0.263 0.000 1.053 470 V CA 1.910 64.027 62.300 -0.305 0.000 1.186 470 V CB -0.041 31.167 31.823 -1.024 0.000 0.895 470 V HN 1.561 nan 8.190 nan 0.000 0.490 471 G N 4.088 112.693 108.800 -0.325 0.000 2.284 471 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.230 471 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.230 471 G C 0.990 175.794 174.900 -0.160 0.000 1.021 471 G CA 0.315 45.248 45.100 -0.278 0.000 0.619 471 G HN 1.402 nan 8.290 nan 0.000 0.510 472 A N 1.109 123.959 122.820 0.051 0.000 2.172 472 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 472 A C 2.241 179.709 177.584 -0.193 0.000 1.154 472 A CA 2.144 54.218 52.037 0.061 0.000 0.701 472 A CB -0.382 18.884 19.000 0.444 0.000 0.789 472 A HN 0.957 nan 8.150 nan 0.000 0.465 473 Q N 0.782 120.193 119.800 -0.648 0.000 2.291 473 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 473 Q C 1.211 176.886 176.000 -0.541 0.000 0.976 473 Q CA 1.723 57.053 55.803 -0.788 0.000 0.875 473 Q CB -0.556 27.368 28.738 -1.358 0.000 0.927 473 Q HN 0.650 nan 8.270 nan 0.000 0.450 474 K N 0.119 120.026 120.400 -0.822 0.000 2.360 474 K HA -0.057 4.263 4.320 -0.000 0.000 0.201 474 K C -0.207 175.672 176.600 -1.203 0.000 1.046 474 K CA 0.724 56.416 56.287 -0.992 0.000 0.940 474 K CB -0.009 31.754 32.500 -1.228 0.000 0.748 474 K HN 0.199 nan 8.250 nan 0.000 0.465 475 F N 1.091 120.626 119.950 -0.692 0.000 2.530 475 F HA 0.284 4.811 4.527 -0.000 0.000 0.318 475 F C -2.328 173.146 175.800 -0.542 0.000 1.356 475 F CA -3.687 53.621 58.000 -1.155 0.000 1.135 475 F CB 0.029 38.583 39.000 -0.742 0.000 1.315 475 F HN -0.171 nan 8.300 nan 0.000 0.549 476 P HA 0.181 nan 4.420 nan 0.000 0.274 476 P C -0.159 177.108 177.300 -0.056 0.000 1.246 476 P CA -0.068 63.016 63.100 -0.027 0.000 0.795 476 P CB 2.030 33.771 31.700 0.068 0.000 1.006 477 V N 1.907 121.699 119.914 -0.202 0.000 2.630 477 V HA 0.250 4.370 4.120 -0.000 0.000 0.305 477 V C 0.488 176.329 176.094 -0.423 0.000 1.046 477 V CA -0.639 61.476 62.300 -0.308 0.000 0.934 477 V CB 0.849 32.255 31.823 -0.695 0.000 1.003 477 V HN 0.548 nan 8.190 nan 0.000 0.451 478 H N 2.000 121.006 119.070 -0.108 0.000 2.517 478 H HA 0.171 4.727 4.556 -0.000 0.000 0.317 478 H C -1.095 174.108 175.328 -0.208 0.000 1.080 478 H CA -0.293 55.706 56.048 -0.082 0.000 1.301 478 H CB 1.420 31.172 29.762 -0.016 0.000 1.425 478 H HN 0.774 nan 8.280 nan 0.000 0.471 479 W N 3.234 124.288 121.300 -0.410 0.000 2.478 479 W HA 0.362 5.022 4.660 -0.000 0.000 0.318 479 W C 0.761 177.090 176.519 -0.317 0.000 1.062 479 W CA -0.872 56.115 57.345 -0.596 0.000 1.210 479 W CB 1.121 30.205 29.460 -0.627 0.000 1.325 479 W HN 0.712 nan 8.180 nan 0.000 0.496 480 G N 3.336 111.484 108.800 -1.086 0.000 2.848 480 G HA2 0.355 4.315 3.960 -0.000 0.000 0.208 480 G HA3 0.355 4.315 3.960 -0.000 0.000 0.208 480 G C 0.659 175.204 174.900 -0.591 0.000 1.152 480 G CA 0.562 45.413 45.100 -0.416 0.000 0.789 480 G HN 1.369 nan 8.290 nan 0.000 0.531 481 G N -0.097 107.668 108.800 -1.725 0.000 2.660 481 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.215 481 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.215 481 G C -1.050 173.362 174.900 -0.813 0.000 1.345 481 G CA -0.333 43.964 45.100 -1.339 0.000 0.877 481 G HN 0.197 nan 8.290 nan 0.000 0.549 482 D N 0.233 120.453 120.400 -0.300 0.000 2.280 482 D HA 0.504 5.144 4.640 -0.000 0.000 0.243 482 D C -0.012 176.228 176.300 -0.101 0.000 1.129 482 D CA 0.371 54.303 54.000 -0.113 0.000 0.848 482 D CB 1.058 41.860 40.800 0.003 0.000 1.107 482 D HN 0.641 nan 8.370 nan 0.000 0.471 483 C N 2.691 121.972 119.300 -0.032 0.000 2.498 483 C HA 0.351 4.811 4.460 -0.000 0.000 0.316 483 C C 0.014 175.017 174.990 0.022 0.000 1.209 483 C CA -1.039 57.987 59.018 0.014 0.000 1.518 483 C CB 0.063 27.935 27.740 0.220 0.000 2.147 483 C HN 0.534 nan 8.230 nan 0.000 0.483 484 Y N 0.659 121.065 120.300 0.177 0.000 2.330 484 Y HA 0.355 4.905 4.550 -0.000 0.000 0.341 484 Y C 1.029 177.047 175.900 0.196 0.000 1.278 484 Y CA -0.196 57.994 58.100 0.150 0.000 1.453 484 Y CB 0.534 39.069 38.460 0.125 0.000 1.342 484 Y HN 0.771 nan 8.280 nan 0.000 0.590 485 A N 2.817 125.832 122.820 0.325 0.000 3.095 485 A HA 0.382 4.702 4.320 -0.000 0.000 0.301 485 A C -0.776 176.918 177.584 0.184 0.000 1.432 485 A CA -0.435 51.746 52.037 0.240 0.000 1.140 485 A CB -1.438 17.628 19.000 0.110 0.000 1.174 485 A HN 0.823 nan 8.150 nan 0.000 0.546 486 N N -2.182 116.669 118.700 0.251 0.000 2.732 486 N HA 0.452 5.191 4.740 -0.000 0.000 0.259 486 N C -0.070 175.518 175.510 0.130 0.000 1.402 486 N CA -0.799 52.293 53.050 0.069 0.000 0.829 486 N CB 0.395 38.946 38.487 0.107 0.000 1.495 486 N HN -0.057 nan 8.380 nan 0.000 0.511 487 Y N -0.257 120.204 120.300 0.269 0.000 2.242 487 Y HA -0.008 4.542 4.550 -0.000 0.000 0.291 487 Y C 1.734 177.760 175.900 0.210 0.000 1.137 487 Y CA 1.232 59.494 58.100 0.270 0.000 1.181 487 Y CB -0.407 38.226 38.460 0.288 0.000 0.989 487 Y HN 0.655 nan 8.280 nan 0.000 0.527 488 E N -0.459 119.914 120.200 0.288 0.000 2.085 488 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 488 E C 2.489 179.193 176.600 0.172 0.000 0.994 488 E CA 1.557 58.059 56.400 0.170 0.000 0.801 488 E CB -0.508 29.273 29.700 0.136 0.000 0.743 488 E HN 0.226 nan 8.360 nan 0.000 0.453 489 S N -0.285 115.555 115.700 0.234 0.000 2.368 489 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 489 S C 1.957 176.709 174.600 0.255 0.000 1.030 489 S CA 1.371 59.740 58.200 0.282 0.000 0.999 489 S CB -0.203 63.245 63.200 0.412 0.000 0.844 489 S HN 0.295 nan 8.310 nan 0.000 0.459 490 M N 0.804 120.464 119.600 0.100 0.000 2.108 490 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 490 M C 2.093 178.455 176.300 0.103 0.000 1.066 490 M CA 1.765 56.860 55.300 -0.342 0.000 1.107 490 M CB -0.427 31.875 32.600 -0.497 0.000 1.356 490 M HN 0.488 nan 8.290 nan 0.000 0.406 491 A N -0.031 122.899 122.820 0.184 0.000 1.898 491 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 491 A C 1.792 179.402 177.584 0.043 0.000 1.181 491 A CA 1.797 53.819 52.037 -0.024 0.000 0.620 491 A CB -0.746 18.050 19.000 -0.340 0.000 0.819 491 A HN 0.646 nan 8.150 nan 0.000 0.442 492 E N -0.050 120.219 120.200 0.115 0.000 2.085 492 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 492 E C 2.292 179.092 176.600 0.333 0.000 0.994 492 E CA 1.453 57.972 56.400 0.198 0.000 0.801 492 E CB -0.184 29.638 29.700 0.202 0.000 0.743 492 E HN 0.552 nan 8.360 nan 0.000 0.453 493 S N 0.801 116.715 115.700 0.356 0.000 2.368 493 S HA -0.139 4.330 4.470 -0.000 0.000 0.225 493 S C 1.872 176.688 174.600 0.360 0.000 1.030 493 S CA 0.712 59.214 58.200 0.503 0.000 0.999 493 S CB -0.206 63.337 63.200 0.571 0.000 0.844 493 S HN 0.148 nan 8.310 nan 0.000 0.459 494 L N 2.408 123.788 121.223 0.262 0.000 2.046 494 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 494 L C 2.170 178.960 176.870 -0.132 0.000 1.077 494 L CA 1.693 56.582 54.840 0.082 0.000 0.747 494 L CB -0.590 41.474 42.059 0.008 0.000 0.896 494 L HN 0.150 nan 8.230 nan 0.000 0.432 495 R N -0.550 119.911 120.500 -0.065 0.000 2.091 495 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 495 R C 2.201 178.325 176.300 -0.292 0.000 1.136 495 R CA 1.265 57.288 56.100 -0.130 0.000 0.959 495 R CB -1.116 29.150 30.300 -0.056 0.000 0.856 495 R HN 0.590 nan 8.270 nan 0.000 0.437 496 G N 0.408 109.008 108.800 -0.334 0.000 2.421 496 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 496 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 496 G C 1.531 175.885 174.900 -0.909 0.000 1.171 496 G CA 0.850 45.556 45.100 -0.657 0.000 0.775 496 G HN 0.458 nan 8.290 nan 0.000 0.543 497 G N 0.898 108.837 108.800 -1.435 0.000 2.418 497 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 497 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 497 G C 1.820 176.133 174.900 -0.979 0.000 1.158 497 G CA 0.747 44.522 45.100 -2.208 0.000 0.771 497 G HN 0.414 nan 8.290 nan 0.000 0.545 498 L N 0.778 121.629 121.223 -0.621 0.000 2.042 498 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 498 L C 3.166 179.852 176.870 -0.308 0.000 1.076 498 L CA 1.358 55.988 54.840 -0.350 0.000 0.749 498 L CB -0.420 41.513 42.059 -0.210 0.000 0.893 498 L HN 0.185 nan 8.230 nan 0.000 0.432 499 S N -0.294 115.194 115.700 -0.354 0.000 2.402 499 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 499 S C 1.934 176.373 174.600 -0.268 0.000 1.021 499 S CA 0.983 59.018 58.200 -0.276 0.000 0.974 499 S CB -0.141 62.870 63.200 -0.315 0.000 0.800 499 S HN 0.328 nan 8.310 nan 0.000 0.484 500 I N 1.303 121.643 120.570 -0.384 0.000 2.439 500 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 500 I C 2.308 178.360 176.117 -0.109 0.000 1.139 500 I CA 0.839 61.950 61.300 -0.315 0.000 1.438 500 I CB -0.528 37.180 38.000 -0.486 0.000 1.085 500 I HN 0.381 nan 8.210 nan 0.000 0.427 501 G N 0.909 109.608 108.800 -0.169 0.000 2.418 501 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 501 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 501 G C 1.511 176.359 174.900 -0.086 0.000 1.158 501 G CA 0.420 45.452 45.100 -0.113 0.000 0.771 501 G HN 0.386 nan 8.290 nan 0.000 0.545 502 L N 1.157 122.325 121.223 -0.091 0.000 2.610 502 L HA 0.122 4.462 4.340 -0.000 0.000 0.232 502 L C 1.429 178.326 176.870 0.045 0.000 1.149 502 L CA 0.311 55.124 54.840 -0.045 0.000 0.872 502 L CB 0.383 42.406 42.059 -0.061 0.000 0.992 502 L HN 0.085 nan 8.230 nan 0.000 0.447 503 S N -0.685 115.034 115.700 0.033 0.000 2.754 503 S HA 0.406 4.876 4.470 -0.000 0.000 0.247 503 S C 1.180 175.782 174.600 0.005 0.000 1.031 503 S CA 0.316 58.554 58.200 0.063 0.000 1.014 503 S CB 1.113 64.378 63.200 0.109 0.000 0.918 503 S HN 0.494 nan 8.310 nan 0.000 0.519 504 G N 1.249 110.007 108.800 -0.070 0.000 2.179 504 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 504 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 504 G C -0.197 174.479 174.900 -0.374 0.000 0.990 504 G CA -0.665 44.333 45.100 -0.170 0.000 0.646 504 G HN 0.450 nan 8.290 nan 0.000 0.517 505 F N 0.965 120.802 119.950 -0.189 0.000 2.411 505 F HA 0.575 5.102 4.527 -0.000 0.000 0.352 505 F C 1.528 177.202 175.800 -0.209 0.000 1.123 505 F CA 0.075 57.957 58.000 -0.197 0.000 1.044 505 F CB 1.986 40.850 39.000 -0.228 0.000 1.135 505 F HN 0.008 nan 8.300 nan 0.000 0.461 506 G N 2.890 111.598 108.800 -0.152 0.000 2.551 506 G HA2 0.061 4.021 3.960 -0.000 0.000 0.216 506 G HA3 0.061 4.021 3.960 -0.000 0.000 0.216 506 G C -0.178 174.191 174.900 -0.884 0.000 1.137 506 G CA 0.408 45.174 45.100 -0.557 0.000 0.798 506 G HN 0.377 nan 8.290 nan 0.000 0.536 507 F N -2.026 118.011 119.950 0.145 0.000 2.569 507 F HA 0.626 5.153 4.527 -0.000 0.000 0.312 507 F C -1.074 174.861 175.800 0.226 0.000 1.109 507 F CA -1.582 56.519 58.000 0.168 0.000 0.919 507 F CB 1.906 40.949 39.000 0.072 0.000 1.211 507 F HN 0.016 nan 8.300 nan 0.000 0.446 508 W N 2.839 124.211 121.300 0.121 0.000 3.097 508 W HA 0.655 5.315 4.660 -0.000 0.000 0.335 508 W C -1.312 175.193 176.519 -0.024 0.000 1.114 508 W CA -1.002 56.340 57.345 -0.006 0.000 1.231 508 W CB 1.982 31.409 29.460 -0.056 0.000 1.388 508 W HN 0.596 nan 8.180 nan 0.000 0.485 509 S N 3.713 118.975 115.700 -0.730 0.000 2.621 509 S HA 0.903 5.373 4.470 -0.000 0.000 0.302 509 S C -0.926 173.037 174.600 -1.061 0.000 1.093 509 S CA -0.458 57.243 58.200 -0.833 0.000 1.017 509 S CB 1.971 64.462 63.200 -1.181 0.000 1.077 509 S HN 0.801 nan 8.310 nan 0.000 0.517 510 H N -1.558 117.010 119.070 -0.837 0.000 2.981 510 H HA 0.692 5.248 4.556 -0.000 0.000 0.327 510 H C -2.112 173.080 175.328 -0.226 0.000 1.342 510 H CA -1.046 54.605 56.048 -0.662 0.000 1.123 510 H CB 0.672 29.951 29.762 -0.805 0.000 1.851 510 H HN 0.440 nan 8.280 nan 0.000 0.531 511 D N 1.072 121.402 120.400 -0.117 0.000 2.280 511 D HA 0.278 4.918 4.640 -0.000 0.000 0.236 511 D C 0.001 176.037 176.300 -0.440 0.000 1.082 511 D CA -0.375 53.547 54.000 -0.130 0.000 0.834 511 D CB 1.475 42.315 40.800 0.065 0.000 1.100 511 D HN 0.427 nan 8.370 nan 0.000 0.486 512 I N 1.629 121.943 120.570 -0.427 0.000 2.598 512 I HA 0.117 4.287 4.170 -0.000 0.000 0.284 512 I C 1.664 177.375 176.117 -0.677 0.000 1.140 512 I CA 0.544 61.486 61.300 -0.597 0.000 1.420 512 I CB 0.495 38.298 38.000 -0.328 0.000 1.387 512 I HN 0.695 nan 8.210 nan 0.000 0.553 513 G N 3.945 112.120 108.800 -1.042 0.000 2.189 513 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.267 513 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.267 513 G C 0.773 175.258 174.900 -0.692 0.000 0.975 513 G CA 0.297 45.067 45.100 -0.551 0.000 0.644 513 G HN 1.545 nan 8.290 nan 0.000 0.537 514 G N -1.152 107.027 108.800 -1.036 0.000 2.598 514 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.244 514 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.244 514 G C 0.532 175.417 174.900 -0.025 0.000 1.302 514 G CA 0.450 45.275 45.100 -0.459 0.000 0.903 514 G HN 1.363 nan 8.290 nan 0.000 0.575 515 F N 0.729 120.621 119.950 -0.097 0.000 2.653 515 F HA 0.385 4.912 4.527 -0.000 0.000 0.288 515 F C 1.455 177.250 175.800 -0.008 0.000 1.121 515 F CA 0.582 58.569 58.000 -0.021 0.000 1.384 515 F CB 0.285 39.292 39.000 0.011 0.000 1.115 515 F HN 0.651 nan 8.300 nan 0.000 0.599 516 E N 1.264 121.469 120.200 0.008 0.000 2.415 516 E HA -0.118 4.232 4.350 -0.000 0.000 0.262 516 E C 0.538 177.112 176.600 -0.043 0.000 1.038 516 E CA -0.068 56.312 56.400 -0.033 0.000 0.921 516 E CB 0.952 30.746 29.700 0.157 0.000 0.950 516 E HN 0.241 nan 8.360 nan 0.000 0.438 517 N N 1.526 120.188 118.700 -0.063 0.000 2.080 517 N HA -0.095 4.645 4.740 -0.000 0.000 0.189 517 N C -0.147 175.365 175.510 0.003 0.000 1.036 517 N CA 1.669 54.686 53.050 -0.055 0.000 0.846 517 N CB 0.191 38.645 38.487 -0.054 0.000 1.015 517 N HN 0.479 nan 8.380 nan 0.000 0.423 518 T N -0.651 113.923 114.554 0.032 0.000 3.254 518 T HA 0.710 5.060 4.350 -0.000 0.000 0.385 518 T C -0.170 174.573 174.700 0.071 0.000 1.528 518 T CA -0.786 61.354 62.100 0.067 0.000 1.212 518 T CB 0.661 69.562 68.868 0.056 0.000 1.145 518 T HN 0.333 nan 8.240 nan 0.000 0.631 519 A N 4.313 127.186 122.820 0.088 0.000 2.520 519 A HA 0.503 4.823 4.320 -0.000 0.000 0.245 519 A C -2.010 175.528 177.584 -0.076 0.000 1.072 519 A CA -1.134 50.912 52.037 0.014 0.000 0.761 519 A CB -0.374 18.649 19.000 0.037 0.000 1.004 519 A HN 0.484 nan 8.150 nan 0.000 0.499 520 P HA 0.165 nan 4.420 nan 0.000 0.268 520 P C 0.856 177.877 177.300 -0.465 0.000 1.208 520 P CA 0.568 63.513 63.100 -0.259 0.000 0.777 520 P CB 0.710 32.173 31.700 -0.394 0.000 0.875 521 A N 2.584 125.147 122.820 -0.428 0.000 1.972 521 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 521 A C 1.873 179.268 177.584 -0.314 0.000 1.169 521 A CA 2.019 53.699 52.037 -0.596 0.000 0.635 521 A CB -1.691 17.129 19.000 -0.299 0.000 0.810 521 A HN 0.827 nan 8.150 nan 0.000 0.446 522 H N -1.659 117.329 119.070 -0.136 0.000 2.353 522 H HA -0.011 4.545 4.556 -0.000 0.000 0.300 522 H C 1.608 177.095 175.328 0.265 0.000 1.090 522 H CA 1.415 57.475 56.048 0.020 0.000 1.327 522 H CB -0.837 29.117 29.762 0.320 0.000 1.383 522 H HN 0.091 nan 8.280 nan 0.000 0.508 523 V N 0.796 120.579 119.914 -0.217 0.000 2.261 523 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 523 V C 2.330 178.561 176.094 0.229 0.000 1.047 523 V CA 2.155 64.424 62.300 -0.051 0.000 1.015 523 V CB -1.013 30.608 31.823 -0.337 0.000 0.642 523 V HN 0.455 nan 8.190 nan 0.000 0.446 524 Y N 1.116 121.373 120.300 -0.070 0.000 2.096 524 Y HA -0.372 4.178 4.550 -0.000 0.000 0.278 524 Y C 2.542 178.516 175.900 0.123 0.000 1.192 524 Y CA 2.410 60.489 58.100 -0.035 0.000 1.143 524 Y CB -0.218 38.032 38.460 -0.350 0.000 0.963 524 Y HN 0.167 nan 8.280 nan 0.000 0.505 525 K N -0.666 119.860 120.400 0.210 0.000 2.025 525 K HA -0.141 4.179 4.320 -0.000 0.000 0.207 525 K C 2.169 178.967 176.600 0.330 0.000 1.049 525 K CA 1.359 57.784 56.287 0.230 0.000 0.933 525 K CB -0.089 32.446 32.500 0.058 0.000 0.714 525 K HN 0.106 nan 8.250 nan 0.000 0.438 526 R N 0.016 120.780 120.500 0.440 0.000 2.081 526 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 526 R C 1.979 178.442 176.300 0.273 0.000 1.131 526 R CA 1.020 57.340 56.100 0.366 0.000 0.960 526 R CB -0.685 29.886 30.300 0.451 0.000 0.856 526 R HN 0.455 nan 8.270 nan 0.000 0.436 527 W N 1.008 122.401 121.300 0.155 0.000 2.425 527 W HA -0.135 4.525 4.660 -0.000 0.000 0.277 527 W C 1.907 178.434 176.519 0.013 0.000 1.231 527 W CA 0.182 57.620 57.345 0.155 0.000 1.248 527 W CB -0.419 29.114 29.460 0.121 0.000 1.117 527 W HN 0.058 nan 8.180 nan 0.000 0.568 528 C N 0.126 119.514 119.300 0.146 0.000 2.432 528 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 528 C C 3.087 178.033 174.990 -0.074 0.000 1.249 528 C CA 1.667 60.682 59.018 -0.005 0.000 1.725 528 C CB -1.523 26.214 27.740 -0.005 0.000 2.028 528 C HN 0.353 nan 8.230 nan 0.000 0.477 529 A N 0.476 123.133 122.820 -0.271 0.000 1.865 529 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 529 A C 1.979 179.468 177.584 -0.160 0.000 1.191 529 A CA 1.960 53.532 52.037 -0.775 0.000 0.623 529 A CB -0.937 17.630 19.000 -0.723 0.000 0.826 529 A HN 0.513 nan 8.150 nan 0.000 0.444 530 F N 1.378 121.276 119.950 -0.086 0.000 2.069 530 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 530 F C 2.312 178.267 175.800 0.259 0.000 1.113 530 F CA 1.514 59.578 58.000 0.108 0.000 1.214 530 F CB -1.135 37.884 39.000 0.031 0.000 0.978 530 F HN 0.172 nan 8.300 nan 0.000 0.474 531 G N 0.778 109.593 108.800 0.024 0.000 2.422 531 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.218 531 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.218 531 G C 1.532 176.375 174.900 -0.094 0.000 1.146 531 G CA 0.774 45.711 45.100 -0.271 0.000 0.769 531 G HN 0.361 nan 8.290 nan 0.000 0.547 532 L N 0.137 121.377 121.223 0.029 0.000 2.552 532 L HA 0.238 4.578 4.340 -0.000 0.000 0.227 532 L C 1.286 178.269 176.870 0.190 0.000 1.146 532 L CA 0.561 55.474 54.840 0.121 0.000 0.858 532 L CB -0.308 41.867 42.059 0.194 0.000 0.969 532 L HN 0.139 nan 8.230 nan 0.000 0.451 533 L N -0.913 120.447 121.223 0.227 0.000 3.034 533 L HA 0.270 4.610 4.340 -0.000 0.000 0.245 533 L C 0.402 177.529 176.870 0.429 0.000 1.295 533 L CA 0.296 55.336 54.840 0.333 0.000 1.068 533 L CB -0.536 41.732 42.059 0.349 0.000 1.426 533 L HN 0.031 nan 8.230 nan 0.000 0.531 534 S N -1.491 114.383 115.700 0.290 0.000 2.638 534 S HA 0.351 4.821 4.470 -0.000 0.000 0.302 534 S C 1.220 175.941 174.600 0.201 0.000 1.096 534 S CA -0.029 58.327 58.200 0.260 0.000 0.953 534 S CB 2.130 65.475 63.200 0.243 0.000 1.107 534 S HN 0.407 nan 8.310 nan 0.000 0.503 535 S N 0.969 116.808 115.700 0.231 0.000 2.365 535 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 535 S C 0.203 174.664 174.600 -0.232 0.000 1.039 535 S CA 1.357 59.683 58.200 0.210 0.000 1.033 535 S CB -0.544 62.961 63.200 0.507 0.000 0.887 535 S HN 0.789 nan 8.310 nan 0.000 0.447 536 H N -0.435 118.601 119.070 -0.056 0.000 2.851 536 H HA 0.739 5.295 4.556 -0.000 0.000 0.372 536 H C -1.186 173.992 175.328 -0.249 0.000 1.158 536 H CA -0.445 55.487 56.048 -0.192 0.000 1.159 536 H CB 2.272 31.815 29.762 -0.364 0.000 1.757 536 H HN 0.199 nan 8.280 nan 0.000 0.546 537 S N 1.961 117.611 115.700 -0.083 0.000 2.720 537 S HA 0.504 4.974 4.470 -0.000 0.000 0.278 537 S C -0.862 173.729 174.600 -0.015 0.000 1.172 537 S CA -0.918 57.212 58.200 -0.117 0.000 1.019 537 S CB 1.751 64.953 63.200 0.003 0.000 1.049 537 S HN 0.599 nan 8.310 nan 0.000 0.483 538 R N 2.376 122.835 120.500 -0.068 0.000 2.673 538 R HA 0.673 5.013 4.340 -0.000 0.000 0.281 538 R C -1.833 174.471 176.300 0.007 0.000 0.991 538 R CA -0.794 55.326 56.100 0.032 0.000 0.896 538 R CB 1.048 31.366 30.300 0.031 0.000 1.201 538 R HN 0.621 nan 8.270 nan 0.000 0.457 539 L N 3.408 124.670 121.223 0.065 0.000 2.296 539 L HA 0.500 4.840 4.340 -0.000 0.000 0.286 539 L C -0.809 176.117 176.870 0.094 0.000 1.023 539 L CA -0.645 54.237 54.840 0.069 0.000 0.812 539 L CB 1.509 43.634 42.059 0.110 0.000 1.223 539 L HN 0.714 nan 8.230 nan 0.000 0.421 540 H N 2.081 121.136 119.070 -0.025 0.000 3.184 540 H HA 0.532 5.088 4.556 -0.000 0.000 0.317 540 H C -0.785 174.592 175.328 0.081 0.000 1.065 540 H CA -0.308 55.717 56.048 -0.039 0.000 1.462 540 H CB 1.088 30.787 29.762 -0.104 0.000 2.037 540 H HN 0.619 nan 8.280 nan 0.000 0.431 541 G N 1.502 110.082 108.800 -0.367 0.000 2.938 541 G HA2 0.373 4.333 3.960 -0.000 0.000 0.258 541 G HA3 0.373 4.333 3.960 -0.000 0.000 0.258 541 G C 0.121 174.921 174.900 -0.166 0.000 1.356 541 G CA -0.022 44.975 45.100 -0.171 0.000 1.052 541 G HN 0.608 nan 8.290 nan 0.000 0.550 542 S N -1.173 114.444 115.700 -0.139 0.000 2.440 542 S HA 0.107 4.577 4.470 -0.000 0.000 0.194 542 S C 1.796 176.404 174.600 0.014 0.000 0.952 542 S CA 0.943 59.062 58.200 -0.135 0.000 0.898 542 S CB -0.176 62.753 63.200 -0.452 0.000 0.875 542 S HN 0.387 nan 8.310 nan 0.000 0.581 543 K N 0.939 121.309 120.400 -0.051 0.000 2.353 543 K HA 0.280 4.600 4.320 -0.000 0.000 0.195 543 K C -0.097 176.477 176.600 -0.044 0.000 1.031 543 K CA 0.140 56.410 56.287 -0.029 0.000 1.079 543 K CB 0.843 33.327 32.500 -0.027 0.000 0.857 543 K HN 0.474 nan 8.250 nan 0.000 0.535 544 S N -1.062 114.587 115.700 -0.085 0.000 2.579 544 S HA 0.352 4.822 4.470 -0.000 0.000 0.272 544 S C -0.805 173.681 174.600 -0.190 0.000 1.141 544 S CA -1.045 57.102 58.200 -0.089 0.000 0.843 544 S CB 0.460 63.618 63.200 -0.070 0.000 1.122 544 S HN 0.059 nan 8.310 nan 0.000 0.468 545 Y N 1.146 121.195 120.300 -0.419 0.000 2.717 545 Y HA 0.166 4.716 4.550 -0.000 0.000 0.330 545 Y C 1.671 177.312 175.900 -0.432 0.000 1.217 545 Y CA -0.082 57.681 58.100 -0.563 0.000 1.506 545 Y CB 0.498 38.206 38.460 -1.253 0.000 1.268 545 Y HN 0.500 nan 8.280 nan 0.000 0.561 546 R N 3.326 123.714 120.500 -0.187 0.000 3.385 546 R HA 0.052 4.392 4.340 -0.000 0.000 0.236 546 R C -0.740 175.514 176.300 -0.076 0.000 1.663 546 R CA -0.170 55.876 56.100 -0.091 0.000 1.444 546 R CB -1.500 28.827 30.300 0.045 0.000 1.218 546 R HN 0.515 nan 8.270 nan 0.000 0.575 547 V N -1.208 118.516 119.914 -0.317 0.000 2.811 547 V HA 0.188 4.308 4.120 -0.000 0.000 0.302 547 V C -1.310 174.502 176.094 -0.470 0.000 1.063 547 V CA -1.373 60.623 62.300 -0.507 0.000 1.088 547 V CB 0.960 31.991 31.823 -1.319 0.000 0.982 547 V HN 0.028 nan 8.190 nan 0.000 0.485 548 P HA -0.067 nan 4.420 nan 0.000 0.219 548 P C 1.340 178.693 177.300 0.088 0.000 1.150 548 P CA 1.681 64.875 63.100 0.158 0.000 0.814 548 P CB -0.167 31.799 31.700 0.443 0.000 0.787 549 W N 0.116 121.443 121.300 0.046 0.000 2.825 549 W HA 0.344 5.004 4.660 -0.000 0.000 0.243 549 W C 1.736 178.198 176.519 -0.095 0.000 1.293 549 W CA 0.463 57.812 57.345 0.008 0.000 1.403 549 W CB -1.734 27.745 29.460 0.033 0.000 1.134 549 W HN -0.124 nan 8.180 nan 0.000 0.666 550 A N 0.195 122.752 122.820 -0.440 0.000 2.084 550 A HA -0.141 4.179 4.320 -0.000 0.000 0.221 550 A C 1.341 178.575 177.584 -0.583 0.000 1.161 550 A CA 1.746 53.427 52.037 -0.593 0.000 0.653 550 A CB -0.815 17.604 19.000 -0.967 0.000 0.802 550 A HN 0.627 nan 8.150 nan 0.000 0.457 551 Y N -0.783 119.465 120.300 -0.086 0.000 2.763 551 Y HA 0.321 4.870 4.550 -0.000 0.000 0.230 551 Y C 0.354 176.264 175.900 0.017 0.000 1.030 551 Y CA -0.136 57.923 58.100 -0.069 0.000 1.462 551 Y CB 0.408 38.774 38.460 -0.158 0.000 1.299 551 Y HN 0.449 nan 8.280 nan 0.000 0.491 552 D N -2.062 118.476 120.400 0.230 0.000 2.665 552 D HA 0.138 4.778 4.640 -0.000 0.000 0.287 552 D C -0.815 175.599 176.300 0.190 0.000 1.266 552 D CA -0.546 53.559 54.000 0.175 0.000 0.830 552 D CB 0.391 41.273 40.800 0.136 0.000 1.356 552 D HN -0.070 nan 8.370 nan 0.000 0.437 553 D N -0.342 120.150 120.400 0.154 0.000 2.144 553 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 553 D C 1.508 177.905 176.300 0.162 0.000 0.984 553 D CA 1.443 55.532 54.000 0.149 0.000 0.834 553 D CB 0.166 41.030 40.800 0.108 0.000 0.955 553 D HN 0.610 nan 8.370 nan 0.000 0.465 554 E N 0.175 120.464 120.200 0.147 0.000 2.058 554 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 554 E C 1.834 178.548 176.600 0.191 0.000 0.997 554 E CA 1.329 57.820 56.400 0.150 0.000 0.801 554 E CB 0.069 29.838 29.700 0.117 0.000 0.746 554 E HN 0.076 nan 8.360 nan 0.000 0.450 555 S N -0.183 115.643 115.700 0.211 0.000 2.370 555 S HA -0.217 4.253 4.470 -0.000 0.000 0.226 555 S C 2.103 176.922 174.600 0.364 0.000 1.033 555 S CA 1.204 59.594 58.200 0.317 0.000 1.011 555 S CB -0.422 62.998 63.200 0.366 0.000 0.852 555 S HN 0.475 nan 8.310 nan 0.000 0.457 556 C N 1.816 121.308 119.300 0.320 0.000 2.429 556 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 556 C C 2.435 177.583 174.990 0.263 0.000 1.262 556 C CA 0.403 59.611 59.018 0.315 0.000 1.733 556 C CB -1.282 26.628 27.740 0.284 0.000 2.010 556 C HN 0.553 nan 8.230 nan 0.000 0.483 557 D N 0.704 121.237 120.400 0.222 0.000 2.149 557 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 557 D C 2.150 178.591 176.300 0.234 0.000 0.990 557 D CA 1.069 55.184 54.000 0.192 0.000 0.839 557 D CB -0.431 40.458 40.800 0.147 0.000 0.948 557 D HN 0.312 nan 8.370 nan 0.000 0.460 558 V N 0.626 120.717 119.914 0.294 0.000 2.270 558 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 558 V C 2.704 179.081 176.094 0.473 0.000 1.043 558 V CA 0.993 63.542 62.300 0.414 0.000 1.014 558 V CB -0.526 31.566 31.823 0.448 0.000 0.645 558 V HN 0.048 nan 8.190 nan 0.000 0.447 559 V N 0.040 120.185 119.914 0.384 0.000 2.332 559 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 559 V C 2.571 178.842 176.094 0.296 0.000 1.055 559 V CA 2.534 65.039 62.300 0.341 0.000 1.038 559 V CB -0.794 31.221 31.823 0.322 0.000 0.651 559 V HN 0.488 nan 8.190 nan 0.000 0.450 560 R N -0.841 119.812 120.500 0.255 0.000 2.062 560 R HA -0.177 4.163 4.340 -0.000 0.000 0.231 560 R C 2.319 178.694 176.300 0.125 0.000 1.136 560 R CA 2.027 58.235 56.100 0.179 0.000 0.948 560 R CB -0.453 29.939 30.300 0.154 0.000 0.845 560 R HN 0.466 nan 8.270 nan 0.000 0.430 561 F N 0.406 120.326 119.950 -0.050 0.000 2.043 561 F HA -0.279 4.248 4.527 -0.000 0.000 0.297 561 F C 1.648 177.264 175.800 -0.307 0.000 1.118 561 F CA 1.876 59.708 58.000 -0.280 0.000 1.202 561 F CB -0.304 38.381 39.000 -0.526 0.000 0.965 561 F HN 0.004 nan 8.300 nan 0.000 0.482 562 F N -0.131 119.890 119.950 0.118 0.000 2.456 562 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 562 F C 2.403 178.206 175.800 0.005 0.000 1.104 562 F CA 1.330 59.340 58.000 0.018 0.000 1.435 562 F CB -1.174 37.943 39.000 0.196 0.000 1.078 562 F HN -0.096 nan 8.300 nan 0.000 0.546 563 T N -0.829 113.844 114.554 0.198 0.000 2.812 563 T HA -0.161 4.189 4.350 -0.000 0.000 0.264 563 T C 1.935 176.695 174.700 0.101 0.000 1.042 563 T CA 1.125 63.336 62.100 0.185 0.000 1.140 563 T CB -0.231 68.768 68.868 0.218 0.000 0.870 563 T HN 0.256 nan 8.240 nan 0.000 0.445 564 Q N 0.342 120.140 119.800 -0.003 0.000 2.030 564 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 564 Q C 2.348 178.263 176.000 -0.141 0.000 0.986 564 Q CA 1.293 57.049 55.803 -0.078 0.000 0.843 564 Q CB -0.435 28.206 28.738 -0.162 0.000 0.904 564 Q HN 0.298 nan 8.270 nan 0.000 0.420 565 L N 1.445 122.482 121.223 -0.310 0.000 1.990 565 L HA -0.273 4.067 4.340 -0.000 0.000 0.213 565 L C 2.256 179.101 176.870 -0.041 0.000 1.072 565 L CA 2.063 56.727 54.840 -0.293 0.000 0.755 565 L CB -0.481 41.284 42.059 -0.489 0.000 0.889 565 L HN 0.073 nan 8.230 nan 0.000 0.432 566 K N -1.347 119.086 120.400 0.056 0.000 2.057 566 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 566 K C 2.137 178.821 176.600 0.139 0.000 1.049 566 K CA 1.897 58.265 56.287 0.136 0.000 0.931 566 K CB -0.395 32.214 32.500 0.182 0.000 0.714 566 K HN 0.550 nan 8.250 nan 0.000 0.440 567 C N 0.702 120.083 119.300 0.136 0.000 2.425 567 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 567 C C 2.530 177.676 174.990 0.260 0.000 1.280 567 C CA 0.612 59.749 59.018 0.199 0.000 1.744 567 C CB -0.869 26.964 27.740 0.156 0.000 1.989 567 C HN 0.489 nan 8.230 nan 0.000 0.491 568 R N 0.093 120.679 120.500 0.143 0.000 2.189 568 R HA 0.042 4.382 4.340 -0.000 0.000 0.218 568 R C 1.828 178.222 176.300 0.156 0.000 1.074 568 R CA 0.932 57.125 56.100 0.155 0.000 0.991 568 R CB -0.198 30.126 30.300 0.040 0.000 0.883 568 R HN 0.590 nan 8.270 nan 0.000 0.457 569 M N -0.263 119.411 119.600 0.123 0.000 2.561 569 M HA 0.049 4.529 4.480 -0.000 0.000 0.238 569 M C 1.516 177.846 176.300 0.049 0.000 1.131 569 M CA 0.334 55.708 55.300 0.124 0.000 1.046 569 M CB 0.229 32.933 32.600 0.173 0.000 1.532 569 M HN 0.017 nan 8.290 nan 0.000 0.497 570 M N 0.310 119.883 119.600 -0.044 0.000 2.202 570 M HA -0.081 4.399 4.480 -0.000 0.000 0.262 570 M C -0.751 175.066 176.300 -0.805 0.000 1.063 570 M CA 1.634 56.712 55.300 -0.371 0.000 1.097 570 M CB -2.108 30.306 32.600 -0.311 0.000 1.382 570 M HN -0.002 nan 8.290 nan 0.000 0.413 571 P HA -0.184 nan 4.420 nan 0.000 0.216 571 P C 1.518 178.670 177.300 -0.247 0.000 1.150 571 P CA 1.235 64.004 63.100 -0.552 0.000 0.837 571 P CB -0.322 31.281 31.700 -0.163 0.000 0.786 572 Y N 0.213 120.382 120.300 -0.219 0.000 2.114 572 Y HA -0.132 4.418 4.550 -0.000 0.000 0.284 572 Y C 2.022 177.832 175.900 -0.151 0.000 1.119 572 Y CA 1.278 59.305 58.100 -0.121 0.000 1.108 572 Y CB -1.224 37.209 38.460 -0.045 0.000 0.995 572 Y HN -0.281 nan 8.280 nan 0.000 0.491 573 L N -0.229 120.797 121.223 -0.328 0.000 2.043 573 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 573 L C 2.334 178.950 176.870 -0.424 0.000 1.075 573 L CA 1.901 56.501 54.840 -0.400 0.000 0.752 573 L CB -1.882 40.077 42.059 -0.166 0.000 0.891 573 L HN 0.429 nan 8.230 nan 0.000 0.432 574 Y N -0.015 119.887 120.300 -0.664 0.000 2.373 574 Y HA -0.223 4.327 4.550 -0.000 0.000 0.293 574 Y C 2.770 178.429 175.900 -0.402 0.000 1.129 574 Y CA 1.433 59.127 58.100 -0.677 0.000 1.226 574 Y CB -0.066 37.783 38.460 -1.018 0.000 1.000 574 Y HN 0.114 nan 8.280 nan 0.000 0.549 575 R N 0.768 121.074 120.500 -0.323 0.000 2.066 575 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 575 R C 1.910 178.057 176.300 -0.256 0.000 1.131 575 R CA 1.923 57.885 56.100 -0.230 0.000 0.955 575 R CB -0.449 29.769 30.300 -0.136 0.000 0.851 575 R HN 0.160 nan 8.270 nan 0.000 0.432 576 E N 0.547 120.539 120.200 -0.346 0.000 2.118 576 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 576 E C 1.875 178.361 176.600 -0.191 0.000 0.992 576 E CA 1.472 57.694 56.400 -0.297 0.000 0.804 576 E CB -0.499 28.945 29.700 -0.426 0.000 0.741 576 E HN 0.502 nan 8.360 nan 0.000 0.458 577 A N 1.502 124.214 122.820 -0.180 0.000 1.902 577 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 577 A C 2.451 180.018 177.584 -0.027 0.000 1.181 577 A CA 1.976 54.039 52.037 0.044 0.000 0.623 577 A CB -0.588 18.405 19.000 -0.011 0.000 0.818 577 A HN 0.273 nan 8.150 nan 0.000 0.443 578 A N -0.475 122.214 122.820 -0.218 0.000 1.978 578 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 578 A C 2.197 179.731 177.584 -0.084 0.000 1.170 578 A CA 1.756 53.706 52.037 -0.144 0.000 0.636 578 A CB -0.449 18.462 19.000 -0.149 0.000 0.810 578 A HN 0.534 nan 8.150 nan 0.000 0.448 579 R N -0.624 119.813 120.500 -0.105 0.000 2.081 579 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 579 R C 2.461 178.697 176.300 -0.107 0.000 1.131 579 R CA 1.370 57.409 56.100 -0.102 0.000 0.960 579 R CB -0.416 29.813 30.300 -0.118 0.000 0.856 579 R HN 0.512 nan 8.270 nan 0.000 0.436 580 A N 1.031 123.772 122.820 -0.133 0.000 1.883 580 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 580 A C 1.954 179.484 177.584 -0.090 0.000 1.186 580 A CA 1.776 53.698 52.037 -0.192 0.000 0.624 580 A CB -0.915 17.809 19.000 -0.460 0.000 0.822 580 A HN 0.510 nan 8.150 nan 0.000 0.444 581 N N 0.174 118.882 118.700 0.013 0.000 2.120 581 N HA -0.140 4.600 4.740 -0.000 0.000 0.188 581 N C 1.870 177.357 175.510 -0.038 0.000 1.024 581 N CA 1.578 54.639 53.050 0.018 0.000 0.852 581 N CB -0.188 38.330 38.487 0.052 0.000 1.003 581 N HN 0.390 nan 8.380 nan 0.000 0.424 582 A N 0.574 123.364 122.820 -0.049 0.000 1.903 582 A HA 0.088 4.408 4.320 -0.000 0.000 0.213 582 A C 2.103 179.645 177.584 -0.070 0.000 1.185 582 A CA 0.731 52.736 52.037 -0.054 0.000 0.628 582 A CB -0.001 18.969 19.000 -0.050 0.000 0.830 582 A HN 0.272 nan 8.150 nan 0.000 0.446 583 R N -2.224 118.227 120.500 -0.083 0.000 2.509 583 R HA 0.239 4.579 4.340 -0.000 0.000 0.297 583 R C 0.924 177.159 176.300 -0.108 0.000 0.951 583 R CA 0.541 56.589 56.100 -0.088 0.000 1.103 583 R CB 0.608 30.859 30.300 -0.081 0.000 1.283 583 R HN 0.650 nan 8.270 nan 0.000 0.534 584 G N 1.674 110.396 108.800 -0.129 0.000 2.153 584 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 584 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 584 G C 0.092 174.897 174.900 -0.158 0.000 0.994 584 G CA 0.661 45.666 45.100 -0.158 0.000 0.698 584 G HN 0.259 nan 8.290 nan 0.000 0.521 585 T N 3.472 117.935 114.554 -0.151 0.000 2.737 585 T HA 0.485 4.835 4.350 -0.000 0.000 0.296 585 T C -1.638 172.947 174.700 -0.191 0.000 0.922 585 T CA -0.572 61.440 62.100 -0.147 0.000 1.079 585 T CB 1.976 70.769 68.868 -0.125 0.000 0.892 585 T HN 0.289 nan 8.240 nan 0.000 0.514 586 P HA 0.175 nan 4.420 nan 0.000 0.272 586 P C 0.811 177.994 177.300 -0.195 0.000 1.230 586 P CA -0.401 62.556 63.100 -0.238 0.000 0.788 586 P CB 0.861 32.458 31.700 -0.171 0.000 0.949 587 M N 0.612 120.076 119.600 -0.227 0.000 2.132 587 M HA -0.052 4.428 4.480 -0.000 0.000 0.263 587 M C 1.469 177.783 176.300 0.022 0.000 1.065 587 M CA 1.827 57.078 55.300 -0.083 0.000 1.122 587 M CB -0.156 32.447 32.600 0.005 0.000 1.365 587 M HN 0.367 nan 8.290 nan 0.000 0.411 588 M N 1.518 121.122 119.600 0.006 0.000 2.094 588 M HA 0.237 4.717 4.480 -0.000 0.000 0.348 588 M C -0.967 175.320 176.300 -0.021 0.000 1.267 588 M CA 0.034 55.339 55.300 0.008 0.000 1.125 588 M CB 0.399 32.916 32.600 -0.137 0.000 1.527 588 M HN 0.017 nan 8.290 nan 0.000 0.447 589 R N 4.147 124.692 120.500 0.075 0.000 2.387 589 R HA 0.642 4.982 4.340 -0.000 0.000 0.314 589 R C -0.215 176.122 176.300 0.062 0.000 0.958 589 R CA -0.745 55.370 56.100 0.025 0.000 0.846 589 R CB 1.426 31.738 30.300 0.020 0.000 1.147 589 R HN 0.830 nan 8.270 nan 0.000 0.447 590 A N 3.755 126.563 122.820 -0.019 0.000 2.555 590 A HA -0.014 4.306 4.320 -0.000 0.000 0.233 590 A C 1.417 179.013 177.584 0.021 0.000 1.060 590 A CA -0.040 51.989 52.037 -0.012 0.000 0.759 590 A CB 0.196 19.134 19.000 -0.104 0.000 0.995 590 A HN 0.793 nan 8.150 nan 0.000 0.506 591 M N 1.758 121.399 119.600 0.069 0.000 2.213 591 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 591 M C 1.992 178.364 176.300 0.118 0.000 1.062 591 M CA 2.244 57.636 55.300 0.152 0.000 1.105 591 M CB -1.364 31.313 32.600 0.127 0.000 1.385 591 M HN 1.002 nan 8.290 nan 0.000 0.417 592 M N -1.183 118.398 119.600 -0.032 0.000 2.374 592 M HA -0.085 4.394 4.480 -0.000 0.000 0.264 592 M C 1.985 178.202 176.300 -0.139 0.000 1.067 592 M CA 1.667 56.903 55.300 -0.107 0.000 1.103 592 M CB -0.826 31.607 32.600 -0.279 0.000 1.402 592 M HN 0.239 nan 8.290 nan 0.000 0.444 593 M N -0.279 119.230 119.600 -0.151 0.000 2.287 593 M HA -0.046 4.434 4.480 -0.000 0.000 0.266 593 M C 1.857 178.071 176.300 -0.144 0.000 1.079 593 M CA 1.740 56.945 55.300 -0.159 0.000 1.146 593 M CB 0.035 32.541 32.600 -0.158 0.000 1.374 593 M HN 0.414 nan 8.290 nan 0.000 0.435 594 E N 0.097 120.213 120.200 -0.139 0.000 2.170 594 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 594 E C -0.306 175.914 176.600 -0.634 0.000 0.981 594 E CA 1.048 57.231 56.400 -0.362 0.000 0.830 594 E CB 0.196 29.684 29.700 -0.354 0.000 0.775 594 E HN 0.533 nan 8.360 nan 0.000 0.470 595 F N 0.451 120.411 119.950 0.015 0.000 2.542 595 F HA 0.320 4.847 4.527 -0.000 0.000 0.323 595 F C -1.820 173.979 175.800 -0.001 0.000 1.411 595 F CA -1.627 56.394 58.000 0.035 0.000 1.124 595 F CB 1.695 40.748 39.000 0.089 0.000 1.331 595 F HN 0.001 nan 8.300 nan 0.000 0.560 596 P HA -0.071 nan 4.420 nan 0.000 0.233 596 P C 0.375 177.695 177.300 0.034 0.000 1.167 596 P CA 1.142 64.247 63.100 0.007 0.000 0.770 596 P CB 0.445 32.120 31.700 -0.043 0.000 0.837 597 D N -0.550 119.893 120.400 0.071 0.000 2.349 597 D HA 0.013 4.653 4.640 -0.000 0.000 0.214 597 D C 0.205 176.553 176.300 0.080 0.000 1.063 597 D CA 0.481 54.521 54.000 0.066 0.000 0.847 597 D CB -0.058 40.782 40.800 0.067 0.000 0.933 597 D HN 0.151 nan 8.370 nan 0.000 0.513 598 D N 1.315 121.778 120.400 0.105 0.000 2.359 598 D HA 0.088 4.728 4.640 -0.000 0.000 0.230 598 D C -1.559 174.751 176.300 0.018 0.000 1.118 598 D CA -1.992 52.059 54.000 0.086 0.000 0.844 598 D CB 2.033 42.914 40.800 0.135 0.000 1.059 598 D HN -0.058 nan 8.370 nan 0.000 0.493 599 P HA -0.004 nan 4.420 nan 0.000 0.233 599 P C 0.969 178.241 177.300 -0.047 0.000 1.167 599 P CA 0.244 63.342 63.100 -0.004 0.000 0.770 599 P CB 0.258 31.969 31.700 0.018 0.000 0.837 600 A N -0.476 122.249 122.820 -0.158 0.000 2.125 600 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 600 A C 2.131 179.481 177.584 -0.390 0.000 1.156 600 A CA 1.255 53.069 52.037 -0.373 0.000 0.671 600 A CB -1.522 16.929 19.000 -0.915 0.000 0.794 600 A HN 0.283 nan 8.150 nan 0.000 0.459 601 C N -0.607 118.545 119.300 -0.247 0.000 2.673 601 C HA 0.075 4.535 4.460 -0.000 0.000 0.264 601 C C 1.839 176.806 174.990 -0.039 0.000 1.304 601 C CA -0.040 58.900 59.018 -0.131 0.000 1.727 601 C CB -0.819 26.902 27.740 -0.032 0.000 1.932 601 C HN 0.558 nan 8.230 nan 0.000 0.563 602 D N 0.798 121.174 120.400 -0.039 0.000 2.158 602 D HA -0.148 4.492 4.640 -0.000 0.000 0.197 602 D C 1.036 177.199 176.300 -0.228 0.000 0.995 602 D CA 1.767 55.690 54.000 -0.129 0.000 0.846 602 D CB -0.096 40.554 40.800 -0.250 0.000 0.941 602 D HN 0.603 nan 8.370 nan 0.000 0.456 603 Y N -0.459 119.882 120.300 0.070 0.000 2.500 603 Y HA 0.283 4.833 4.550 -0.000 0.000 0.246 603 Y C 0.536 176.474 175.900 0.063 0.000 1.146 603 Y CA -0.386 57.752 58.100 0.062 0.000 1.230 603 Y CB 0.377 38.853 38.460 0.026 0.000 1.214 603 Y HN -0.223 nan 8.280 nan 0.000 0.526 604 L N 3.083 124.408 121.223 0.170 0.000 2.562 604 L HA 0.024 4.364 4.340 -0.000 0.000 0.271 604 L C 0.257 177.186 176.870 0.099 0.000 1.167 604 L CA 0.439 55.352 54.840 0.123 0.000 0.917 604 L CB 0.351 42.433 42.059 0.037 0.000 1.187 604 L HN 0.326 nan 8.230 nan 0.000 0.482 605 D N 1.641 122.095 120.400 0.090 0.000 2.527 605 D HA 0.016 4.656 4.640 -0.000 0.000 0.224 605 D C 1.073 177.388 176.300 0.025 0.000 1.217 605 D CA -0.207 53.822 54.000 0.048 0.000 0.819 605 D CB 0.330 41.145 40.800 0.025 0.000 1.061 605 D HN 0.395 nan 8.370 nan 0.000 0.515 606 R N 0.454 120.984 120.500 0.049 0.000 2.509 606 R HA 0.206 4.546 4.340 -0.000 0.000 0.300 606 R C 0.186 176.588 176.300 0.170 0.000 0.985 606 R CA 0.009 56.150 56.100 0.067 0.000 1.092 606 R CB 0.659 30.958 30.300 -0.002 0.000 1.237 606 R HN 0.380 nan 8.270 nan 0.000 0.546 607 Q N -0.049 119.828 119.800 0.128 0.000 2.522 607 Q HA 0.364 4.704 4.340 -0.000 0.000 0.285 607 Q C -1.579 174.508 176.000 0.145 0.000 0.982 607 Q CA -1.140 54.689 55.803 0.044 0.000 0.805 607 Q CB 1.534 30.241 28.738 -0.050 0.000 1.457 607 Q HN 0.085 nan 8.270 nan 0.000 0.394 608 Y N -1.316 118.988 120.300 0.008 0.000 2.655 608 Y HA 0.732 5.282 4.550 -0.000 0.000 0.336 608 Y C -1.222 174.719 175.900 0.070 0.000 1.154 608 Y CA -1.620 56.503 58.100 0.039 0.000 1.055 608 Y CB 1.441 39.933 38.460 0.053 0.000 1.295 608 Y HN 0.496 nan 8.280 nan 0.000 0.465 609 M N 2.879 122.644 119.600 0.276 0.000 2.238 609 M HA 0.324 4.804 4.480 -0.000 0.000 0.350 609 M C -1.266 175.240 176.300 0.343 0.000 1.138 609 M CA -0.676 54.767 55.300 0.239 0.000 1.040 609 M CB 1.442 34.182 32.600 0.235 0.000 1.639 609 M HN 0.752 nan 8.290 nan 0.000 0.451 610 L N 4.059 125.470 121.223 0.313 0.000 2.288 610 L HA 0.609 4.949 4.340 -0.000 0.000 0.283 610 L C 0.576 177.613 176.870 0.280 0.000 1.072 610 L CA 0.754 55.805 54.840 0.351 0.000 0.862 610 L CB -0.062 42.239 42.059 0.403 0.000 1.245 610 L HN 0.966 nan 8.230 nan 0.000 0.432 611 G N 4.005 112.888 108.800 0.138 0.000 2.697 611 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.240 611 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.240 611 G C 0.419 175.400 174.900 0.134 0.000 1.346 611 G CA 0.093 45.218 45.100 0.041 0.000 0.887 611 G HN 0.559 nan 8.290 nan 0.000 0.569 612 D N 0.346 120.815 120.400 0.115 0.000 2.178 612 D HA -0.048 4.592 4.640 -0.000 0.000 0.201 612 D C 2.086 178.461 176.300 0.125 0.000 0.980 612 D CA 1.660 55.708 54.000 0.080 0.000 0.842 612 D CB 0.003 40.837 40.800 0.057 0.000 0.948 612 D HN 0.353 nan 8.370 nan 0.000 0.472 613 N N -0.559 118.272 118.700 0.218 0.000 2.181 613 N HA 0.049 4.789 4.740 -0.000 0.000 0.207 613 N C -0.140 175.392 175.510 0.038 0.000 1.182 613 N CA 0.028 53.118 53.050 0.066 0.000 0.893 613 N CB 2.182 40.641 38.487 -0.047 0.000 1.032 613 N HN 0.089 nan 8.380 nan 0.000 0.513 614 V N 0.325 120.329 119.914 0.149 0.000 2.588 614 V HA 0.555 4.675 4.120 -0.000 0.000 0.304 614 V C -0.817 175.374 176.094 0.162 0.000 1.042 614 V CA -0.807 61.566 62.300 0.122 0.000 0.877 614 V CB 2.489 34.296 31.823 -0.027 0.000 0.996 614 V HN -0.106 nan 8.190 nan 0.000 0.425 615 M N 6.916 126.594 119.600 0.130 0.000 2.157 615 M HA 0.578 5.058 4.480 -0.000 0.000 0.354 615 M C -1.228 174.915 176.300 -0.261 0.000 1.170 615 M CA -0.329 54.924 55.300 -0.079 0.000 1.060 615 M CB 1.198 33.653 32.600 -0.242 0.000 1.615 615 M HN 0.921 nan 8.290 nan 0.000 0.460 616 V N 5.254 124.891 119.914 -0.463 0.000 2.495 616 V HA 0.896 5.016 4.120 -0.000 0.000 0.298 616 V C -1.059 174.651 176.094 -0.640 0.000 1.031 616 V CA -0.376 61.589 62.300 -0.558 0.000 0.871 616 V CB 1.553 33.095 31.823 -0.468 0.000 0.988 616 V HN 0.967 nan 8.190 nan 0.000 0.432 617 A N 7.912 130.449 122.820 -0.472 0.000 2.328 617 A HA 0.865 5.185 4.320 -0.000 0.000 0.318 617 A C -2.779 174.640 177.584 -0.275 0.000 1.347 617 A CA -1.788 50.049 52.037 -0.332 0.000 0.842 617 A CB 0.792 19.578 19.000 -0.357 0.000 1.148 617 A HN 0.747 nan 8.150 nan 0.000 0.499 618 P HA 0.168 nan 4.420 nan 0.000 0.268 618 P C -0.295 176.724 177.300 -0.467 0.000 1.208 618 P CA 0.036 62.864 63.100 -0.452 0.000 0.777 618 P CB 0.723 31.901 31.700 -0.871 0.000 0.875 619 V N 3.671 123.348 119.914 -0.395 0.000 2.383 619 V HA 0.192 4.312 4.120 -0.000 0.000 0.275 619 V C 0.406 176.255 176.094 -0.408 0.000 1.036 619 V CA 0.261 62.414 62.300 -0.246 0.000 0.889 619 V CB 0.025 31.785 31.823 -0.104 0.000 0.985 619 V HN 0.448 nan 8.190 nan 0.000 0.459 620 F N 2.473 122.294 119.950 -0.214 0.000 2.708 620 F HA 0.258 4.785 4.527 -0.000 0.000 0.300 620 F C 1.087 176.354 175.800 -0.889 0.000 1.118 620 F CA -0.265 57.495 58.000 -0.399 0.000 1.307 620 F CB 0.613 39.517 39.000 -0.159 0.000 0.986 620 F HN 0.569 nan 8.300 nan 0.000 0.522 621 T N -4.397 109.783 114.554 -0.624 0.000 2.906 621 T HA 0.283 4.633 4.350 -0.000 0.000 0.295 621 T C 0.745 175.269 174.700 -0.294 0.000 1.061 621 T CA -0.686 61.100 62.100 -0.524 0.000 1.000 621 T CB 2.443 71.215 68.868 -0.161 0.000 1.103 621 T HN 0.205 nan 8.240 nan 0.000 0.486 622 E N 1.238 121.439 120.200 0.001 0.000 2.047 622 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 622 E C 2.266 178.863 176.600 -0.005 0.000 0.987 622 E CA 1.198 57.696 56.400 0.164 0.000 0.799 622 E CB -0.521 29.105 29.700 -0.123 0.000 0.752 622 E HN 0.798 nan 8.360 nan 0.000 0.449 623 A N 0.111 122.908 122.820 -0.039 0.000 1.978 623 A HA -0.030 4.290 4.320 -0.000 0.000 0.220 623 A C 2.018 179.538 177.584 -0.107 0.000 1.170 623 A CA 1.872 53.873 52.037 -0.060 0.000 0.636 623 A CB -0.773 18.210 19.000 -0.027 0.000 0.810 623 A HN 0.662 nan 8.150 nan 0.000 0.448 624 G N -1.226 107.512 108.800 -0.103 0.000 2.184 624 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.206 624 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.206 624 G C -0.410 174.502 174.900 0.020 0.000 0.995 624 G CA 0.070 45.123 45.100 -0.079 0.000 0.651 624 G HN 0.547 nan 8.290 nan 0.000 0.511 625 D N 0.483 120.891 120.400 0.014 0.000 2.458 625 D HA 0.362 5.002 4.640 -0.000 0.000 0.243 625 D C 0.043 176.403 176.300 0.100 0.000 1.146 625 D CA 0.813 54.847 54.000 0.058 0.000 0.877 625 D CB 2.477 43.297 40.800 0.032 0.000 1.176 625 D HN 0.473 nan 8.370 nan 0.000 0.461 626 V N 1.972 121.992 119.914 0.177 0.000 2.932 626 V HA 0.226 4.346 4.120 -0.000 0.000 0.307 626 V C -1.562 174.719 176.094 0.313 0.000 1.147 626 V CA -0.616 61.825 62.300 0.235 0.000 0.951 626 V CB 2.331 34.289 31.823 0.224 0.000 1.031 626 V HN 0.468 nan 8.190 nan 0.000 0.426 627 Q N 5.383 125.380 119.800 0.328 0.000 2.342 627 Q HA 0.762 5.102 4.340 -0.000 0.000 0.267 627 Q C -1.467 174.847 176.000 0.523 0.000 1.038 627 Q CA -0.485 55.540 55.803 0.370 0.000 0.832 627 Q CB 2.674 31.594 28.738 0.303 0.000 1.323 627 Q HN 0.764 nan 8.270 nan 0.000 0.448 628 F N -1.130 118.954 119.950 0.224 0.000 2.654 628 F HA 0.538 5.065 4.527 0.000 0.000 0.308 628 F C -1.884 173.591 175.800 -0.542 0.000 1.108 628 F CA -1.390 56.484 58.000 -0.210 0.000 0.957 628 F CB 0.978 39.864 39.000 -0.189 0.000 1.309 628 F HN 0.475 nan 8.300 nan 0.000 0.446 629 Y N 2.802 122.460 120.300 -1.071 0.000 2.342 629 Y HA 0.752 5.302 4.550 -0.000 0.000 0.334 629 Y C -1.726 173.796 175.900 -0.629 0.000 1.067 629 Y CA -1.224 56.193 58.100 -1.138 0.000 1.128 629 Y CB 1.482 39.083 38.460 -1.432 0.000 1.200 629 Y HN 0.745 nan 8.280 nan 0.000 0.464 630 L N 9.212 129.589 121.223 -1.411 0.000 2.325 630 L HA 0.561 4.901 4.340 -0.000 0.000 0.281 630 L C -2.335 173.695 176.870 -1.400 0.000 1.004 630 L CA -2.821 51.254 54.840 -1.274 0.000 0.823 630 L CB 1.343 42.789 42.059 -1.022 0.000 1.236 630 L HN 0.593 nan 8.230 nan 0.000 0.415 631 P HA -0.003 nan 4.420 nan 0.000 0.270 631 P C -0.408 176.875 177.300 -0.028 0.000 1.227 631 P CA -0.390 62.489 63.100 -0.369 0.000 0.788 631 P CB 0.414 31.649 31.700 -0.775 0.000 0.926 632 E N 0.536 120.754 120.200 0.029 0.000 2.653 632 E HA 0.174 4.524 4.350 -0.000 0.000 0.264 632 E C 0.290 176.960 176.600 0.118 0.000 0.949 632 E CA 0.978 57.427 56.400 0.083 0.000 0.953 632 E CB -0.441 29.308 29.700 0.082 0.000 0.925 632 E HN 0.678 nan 8.360 nan 0.000 0.475 633 G N 3.126 111.977 108.800 0.085 0.000 2.355 633 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.619 633 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.619 633 G C -1.219 173.700 174.900 0.031 0.000 1.337 633 G CA -0.520 44.561 45.100 -0.033 0.000 0.993 633 G HN 0.599 nan 8.290 nan 0.000 0.599 634 R N -0.100 120.362 120.500 -0.064 0.000 2.246 634 R HA 0.543 4.883 4.340 -0.000 0.000 0.332 634 R C -0.911 175.398 176.300 0.016 0.000 0.974 634 R CA -0.686 55.441 56.100 0.045 0.000 0.837 634 R CB 0.508 30.830 30.300 0.036 0.000 1.145 634 R HN 0.460 nan 8.270 nan 0.000 0.467 635 W N 1.899 123.191 121.300 -0.012 0.000 2.509 635 W HA 0.407 5.067 4.660 -0.000 0.000 0.351 635 W C -0.136 176.491 176.519 0.179 0.000 1.107 635 W CA -0.301 57.065 57.345 0.035 0.000 1.264 635 W CB 2.009 31.439 29.460 -0.050 0.000 1.312 635 W HN 0.326 nan 8.180 nan 0.000 0.608 636 T N 1.322 116.156 114.554 0.467 0.000 2.881 636 T HA 0.096 4.446 4.350 -0.000 0.000 0.290 636 T C -0.806 173.983 174.700 0.148 0.000 1.000 636 T CA -0.660 61.671 62.100 0.385 0.000 0.978 636 T CB 0.949 70.096 68.868 0.464 0.000 0.997 636 T HN 0.284 nan 8.240 nan 0.000 0.443 637 H N 3.172 122.129 119.070 -0.188 0.000 3.004 637 H HA 0.065 4.621 4.556 -0.000 0.000 0.316 637 H C 0.975 176.087 175.328 -0.360 0.000 1.014 637 H CA -0.313 55.302 56.048 -0.721 0.000 1.454 637 H CB 0.827 30.125 29.762 -0.773 0.000 1.472 637 H HN 0.525 nan 8.280 nan 0.000 0.571 638 L N 6.181 127.058 121.223 -0.577 0.000 2.051 638 L HA -0.213 4.127 4.340 -0.000 0.000 0.214 638 L C 1.750 178.729 176.870 0.181 0.000 1.076 638 L CA 2.402 57.160 54.840 -0.135 0.000 0.758 638 L CB -0.496 41.508 42.059 -0.092 0.000 0.890 638 L HN 0.839 nan 8.230 nan 0.000 0.433 639 W N -4.611 116.773 121.300 0.140 0.000 2.904 639 W HA 0.246 4.906 4.660 0.000 0.000 0.265 639 W C 2.012 178.573 176.519 0.070 0.000 1.138 639 W CA 0.052 57.438 57.345 0.070 0.000 1.455 639 W CB -0.760 28.717 29.460 0.028 0.000 0.924 639 W HN -0.058 nan 8.180 nan 0.000 0.619 640 H N 1.078 120.041 119.070 -0.178 0.000 2.428 640 H HA -0.027 4.529 4.556 -0.000 0.000 0.296 640 H C 0.799 176.113 175.328 -0.024 0.000 1.062 640 H CA 1.412 57.342 56.048 -0.197 0.000 1.350 640 H CB -0.466 28.953 29.762 -0.573 0.000 1.403 640 H HN 0.220 nan 8.280 nan 0.000 0.533 641 N N 0.863 119.653 118.700 0.149 0.000 2.909 641 N HA -0.162 4.578 4.740 -0.000 0.000 0.242 641 N C -0.678 174.930 175.510 0.164 0.000 0.975 641 N CA 0.968 54.121 53.050 0.172 0.000 0.921 641 N CB -1.040 37.536 38.487 0.148 0.000 1.112 641 N HN 0.689 nan 8.380 nan 0.000 0.581 642 D N -0.060 120.433 120.400 0.155 0.000 2.362 642 D HA 0.117 4.757 4.640 -0.000 0.000 0.242 642 D C -0.180 176.282 176.300 0.270 0.000 1.132 642 D CA 0.311 54.410 54.000 0.166 0.000 0.907 642 D CB 0.965 41.838 40.800 0.121 0.000 1.195 642 D HN 0.299 nan 8.370 nan 0.000 0.429 643 E N 0.363 120.691 120.200 0.213 0.000 2.227 643 E HA 0.603 4.953 4.350 -0.000 0.000 0.268 643 E C -0.721 175.957 176.600 0.130 0.000 0.907 643 E CA -0.880 55.649 56.400 0.214 0.000 0.786 643 E CB 2.248 32.041 29.700 0.154 0.000 1.191 643 E HN 0.361 nan 8.360 nan 0.000 0.411 644 L N 1.872 123.145 121.223 0.084 0.000 2.445 644 L HA 0.383 4.723 4.340 -0.000 0.000 0.262 644 L C -1.048 175.832 176.870 0.016 0.000 0.974 644 L CA -0.998 53.776 54.840 -0.110 0.000 0.822 644 L CB 2.231 43.941 42.059 -0.582 0.000 1.339 644 L HN 0.420 nan 8.230 nan 0.000 0.409 645 D N 1.318 121.752 120.400 0.057 0.000 2.210 645 D HA 0.434 5.074 4.640 -0.000 0.000 0.249 645 D C 0.167 176.543 176.300 0.127 0.000 1.062 645 D CA 0.078 54.145 54.000 0.111 0.000 0.891 645 D CB 2.391 43.242 40.800 0.084 0.000 1.186 645 D HN 0.661 nan 8.370 nan 0.000 0.432 646 G N -0.677 108.186 108.800 0.105 0.000 2.606 646 G HA2 0.334 4.294 3.960 -0.000 0.000 0.262 646 G HA3 0.334 4.294 3.960 -0.000 0.000 0.262 646 G C 0.068 174.902 174.900 -0.109 0.000 1.394 646 G CA -0.393 44.678 45.100 -0.049 0.000 1.044 646 G HN 0.458 nan 8.290 nan 0.000 0.553 647 S N -1.497 114.077 115.700 -0.210 0.000 3.561 647 S HA -0.166 4.304 4.470 -0.000 0.000 0.318 647 S C 0.314 174.885 174.600 -0.047 0.000 1.181 647 S CA 1.692 59.857 58.200 -0.059 0.000 0.916 647 S CB -1.355 61.866 63.200 0.035 0.000 0.966 647 S HN 1.149 nan 8.310 nan 0.000 0.550 648 R N -2.084 118.212 120.500 -0.339 0.000 2.728 648 R HA 0.511 4.851 4.340 -0.000 0.000 0.274 648 R C -1.495 174.550 176.300 -0.426 0.000 1.030 648 R CA -1.152 54.837 56.100 -0.184 0.000 0.876 648 R CB 0.202 30.372 30.300 -0.217 0.000 1.259 648 R HN 0.104 nan 8.270 nan 0.000 0.468 649 W N 1.091 122.214 121.300 -0.295 0.000 2.237 649 W HA 0.411 5.071 4.660 -0.000 0.000 0.335 649 W C 0.469 176.532 176.519 -0.760 0.000 1.230 649 W CA 0.572 57.689 57.345 -0.381 0.000 1.253 649 W CB 0.695 30.040 29.460 -0.191 0.000 1.129 649 W HN 0.289 nan 8.180 nan 0.000 0.590 650 H N 1.376 120.200 119.070 -0.411 0.000 2.821 650 H HA 0.377 4.933 4.556 -0.000 0.000 0.373 650 H C -1.038 174.026 175.328 -0.441 0.000 1.165 650 H CA -1.126 54.589 56.048 -0.555 0.000 1.154 650 H CB 2.522 31.710 29.762 -0.956 0.000 1.765 650 H HN 0.220 nan 8.280 nan 0.000 0.549 651 K N 2.061 122.413 120.400 -0.081 0.000 2.426 651 K HA 0.337 4.657 4.320 -0.000 0.000 0.254 651 K C -1.075 175.594 176.600 0.115 0.000 0.936 651 K CA -0.405 55.902 56.287 0.033 0.000 0.801 651 K CB 1.701 34.212 32.500 0.019 0.000 1.139 651 K HN 0.615 nan 8.250 nan 0.000 0.424 652 Q N 1.418 121.358 119.800 0.233 0.000 2.484 652 Q HA 0.261 4.601 4.340 -0.000 0.000 0.285 652 Q C -1.503 174.607 176.000 0.182 0.000 1.097 652 Q CA -1.095 54.849 55.803 0.236 0.000 0.802 652 Q CB 2.569 31.593 28.738 0.476 0.000 1.444 652 Q HN 0.361 nan 8.270 nan 0.000 0.429 653 Q N 1.708 121.520 119.800 0.020 0.000 2.325 653 Q HA 0.300 4.640 4.340 -0.000 0.000 0.270 653 Q C -1.677 174.213 176.000 -0.184 0.000 1.020 653 Q CA -0.192 55.605 55.803 -0.011 0.000 0.785 653 Q CB 1.098 29.807 28.738 -0.049 0.000 1.259 653 Q HN 0.704 nan 8.270 nan 0.000 0.452 654 H N 1.630 120.687 119.070 -0.021 0.000 2.524 654 H HA 0.467 5.023 4.556 -0.000 0.000 0.353 654 H C 0.099 175.363 175.328 -0.106 0.000 1.136 654 H CA -0.514 55.520 56.048 -0.023 0.000 1.193 654 H CB 1.963 31.751 29.762 0.045 0.000 1.558 654 H HN 0.799 nan 8.280 nan 0.000 0.515 655 G N 0.492 109.294 108.800 0.003 0.000 2.621 655 G HA2 0.113 4.073 3.960 -0.000 0.000 0.271 655 G HA3 0.113 4.073 3.960 -0.000 0.000 0.271 655 G C 0.253 175.150 174.900 -0.005 0.000 1.236 655 G CA -0.428 44.611 45.100 -0.102 0.000 0.958 655 G HN 0.491 nan 8.290 nan 0.000 0.512 656 F N -1.121 118.949 119.950 0.199 0.000 2.546 656 F HA 0.059 4.586 4.527 -0.000 0.000 0.298 656 F C 2.066 178.043 175.800 0.296 0.000 1.120 656 F CA 0.258 58.407 58.000 0.247 0.000 1.456 656 F CB 0.052 39.191 39.000 0.231 0.000 1.088 656 F HN 0.066 nan 8.300 nan 0.000 0.572 657 L N -1.310 120.098 121.223 0.308 0.000 2.653 657 L HA 0.244 4.584 4.340 -0.000 0.000 0.231 657 L C 0.447 177.409 176.870 0.154 0.000 1.153 657 L CA 0.084 54.943 54.840 0.030 0.000 0.933 657 L CB -0.702 41.194 42.059 -0.272 0.000 1.175 657 L HN -0.042 nan 8.230 nan 0.000 0.473 658 S N -0.365 115.643 115.700 0.514 0.000 2.579 658 S HA 0.887 5.357 4.470 -0.000 0.000 0.272 658 S C -1.249 173.645 174.600 0.490 0.000 1.141 658 S CA -0.591 58.031 58.200 0.702 0.000 0.843 658 S CB 1.266 64.887 63.200 0.701 0.000 1.122 658 S HN 0.118 nan 8.310 nan 0.000 0.468 659 L N -0.691 120.705 121.223 0.287 0.000 2.838 659 L HA 0.730 5.070 4.340 -0.000 0.000 0.266 659 L C -3.155 173.475 176.870 -0.400 0.000 1.040 659 L CA -2.443 52.213 54.840 -0.307 0.000 0.906 659 L CB 1.498 43.495 42.059 -0.102 0.000 1.501 659 L HN 0.341 nan 8.230 nan 0.000 0.407 660 P HA 0.216 nan 4.420 nan 0.000 0.265 660 P C -0.945 176.063 177.300 -0.486 0.000 1.222 660 P CA 0.098 62.926 63.100 -0.453 0.000 0.767 660 P CB 0.834 31.989 31.700 -0.908 0.000 0.801 661 V N 5.898 125.332 119.914 -0.800 0.000 2.439 661 V HA 0.284 4.404 4.120 -0.000 0.000 0.277 661 V C -0.886 174.635 176.094 -0.955 0.000 1.008 661 V CA -0.481 61.389 62.300 -0.716 0.000 0.846 661 V CB 0.309 31.797 31.823 -0.558 0.000 1.031 661 V HN 0.381 nan 8.190 nan 0.000 0.441 662 Y N 2.488 122.535 120.300 -0.421 0.000 2.377 662 Y HA 0.665 5.215 4.550 -0.000 0.000 0.339 662 Y C 0.145 176.080 175.900 0.058 0.000 1.011 662 Y CA -0.839 57.147 58.100 -0.189 0.000 1.093 662 Y CB 2.292 40.665 38.460 -0.145 0.000 1.201 662 Y HN 0.365 nan 8.280 nan 0.000 0.455 663 V N 4.791 124.733 119.914 0.046 0.000 2.394 663 V HA 0.435 4.555 4.120 -0.000 0.000 0.282 663 V C 0.050 175.971 176.094 -0.288 0.000 1.031 663 V CA -1.307 60.825 62.300 -0.280 0.000 0.881 663 V CB 1.068 32.258 31.823 -1.054 0.000 0.982 663 V HN 0.723 nan 8.190 nan 0.000 0.451 664 R N 2.352 122.500 120.500 -0.585 0.000 2.784 664 R HA 0.169 4.509 4.340 -0.000 0.000 0.266 664 R C 0.001 175.963 176.300 -0.564 0.000 1.044 664 R CA -0.467 54.990 56.100 -1.072 0.000 1.151 664 R CB 0.220 30.055 30.300 -0.775 0.000 1.037 664 R HN 0.900 nan 8.270 nan 0.000 0.478 665 D N 0.876 120.956 120.400 -0.533 0.000 2.369 665 D HA -0.092 4.548 4.640 -0.000 0.000 0.241 665 D C -0.079 176.111 176.300 -0.184 0.000 1.271 665 D CA -0.443 53.405 54.000 -0.253 0.000 0.942 665 D CB 0.156 40.815 40.800 -0.234 0.000 1.129 665 D HN 0.505 nan 8.370 nan 0.000 0.476 666 N N -1.299 117.332 118.700 -0.114 0.000 2.716 666 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 666 N C -0.863 174.634 175.510 -0.020 0.000 1.033 666 N CA 1.011 54.016 53.050 -0.075 0.000 0.727 666 N CB -1.463 36.941 38.487 -0.137 0.000 0.950 666 N HN 0.513 nan 8.380 nan 0.000 0.541 667 T N 0.904 115.477 114.554 0.032 0.000 2.829 667 T HA 0.575 4.925 4.350 -0.000 0.000 0.280 667 T C -0.137 174.676 174.700 0.189 0.000 0.999 667 T CA -0.560 61.578 62.100 0.063 0.000 0.983 667 T CB 2.332 71.174 68.868 -0.043 0.000 0.968 667 T HN 0.162 nan 8.240 nan 0.000 0.446 668 L N 4.279 125.593 121.223 0.152 0.000 2.343 668 L HA 0.767 5.107 4.340 -0.000 0.000 0.278 668 L C -1.637 175.369 176.870 0.227 0.000 0.996 668 L CA -0.737 54.218 54.840 0.192 0.000 0.831 668 L CB 1.175 43.291 42.059 0.094 0.000 1.232 668 L HN 0.540 nan 8.230 nan 0.000 0.413 669 L N 4.745 126.158 121.223 0.316 0.000 2.365 669 L HA 0.904 5.244 4.340 -0.000 0.000 0.273 669 L C -0.522 176.529 176.870 0.301 0.000 1.000 669 L CA -0.236 54.748 54.840 0.240 0.000 0.819 669 L CB 1.960 44.129 42.059 0.183 0.000 1.284 669 L HN 0.731 nan 8.230 nan 0.000 0.418 670 A N 5.140 128.076 122.820 0.194 0.000 2.260 670 A HA 0.724 5.044 4.320 -0.000 0.000 0.314 670 A C -1.275 176.332 177.584 0.039 0.000 1.257 670 A CA -0.353 51.685 52.037 0.003 0.000 0.871 670 A CB 0.221 19.191 19.000 -0.049 0.000 1.166 670 A HN 0.522 nan 8.150 nan 0.000 0.522 671 L N 2.283 123.537 121.223 0.053 0.000 2.334 671 L HA 0.675 5.015 4.340 -0.000 0.000 0.276 671 L C 0.926 177.857 176.870 0.102 0.000 1.014 671 L CA 0.100 55.005 54.840 0.109 0.000 0.815 671 L CB 1.824 43.983 42.059 0.166 0.000 1.268 671 L HN 0.777 nan 8.230 nan 0.000 0.428 672 G N 0.523 109.445 108.800 0.204 0.000 2.502 672 G HA2 0.323 4.283 3.960 -0.000 0.000 0.305 672 G HA3 0.323 4.283 3.960 -0.000 0.000 0.305 672 G C 0.360 175.384 174.900 0.207 0.000 1.190 672 G CA -0.453 44.857 45.100 0.349 0.000 0.933 672 G HN 0.745 nan 8.290 nan 0.000 0.503 673 N N -0.349 118.442 118.700 0.151 0.000 2.313 673 N HA 0.007 4.747 4.740 -0.000 0.000 0.207 673 N C -0.148 175.252 175.510 -0.183 0.000 1.141 673 N CA -0.425 52.623 53.050 -0.004 0.000 0.830 673 N CB 0.298 38.794 38.487 0.016 0.000 1.008 673 N HN 0.300 nan 8.380 nan 0.000 0.481 674 N N 1.098 119.523 118.700 -0.459 0.000 2.442 674 N HA 0.081 4.821 4.740 -0.000 0.000 0.274 674 N C -0.998 174.281 175.510 -0.387 0.000 1.002 674 N CA -0.318 52.352 53.050 -0.634 0.000 0.910 674 N CB 1.480 39.155 38.487 -1.353 0.000 1.244 674 N HN 0.179 nan 8.380 nan 0.000 0.492 675 D N 1.887 122.179 120.400 -0.180 0.000 2.424 675 D HA 0.083 4.723 4.640 -0.000 0.000 0.220 675 D C 0.264 176.559 176.300 -0.007 0.000 1.150 675 D CA 0.296 54.253 54.000 -0.072 0.000 0.831 675 D CB 0.554 41.312 40.800 -0.070 0.000 0.981 675 D HN 0.320 nan 8.370 nan 0.000 0.500 676 Q N 0.254 120.050 119.800 -0.007 0.000 2.391 676 Q HA 0.201 4.541 4.340 -0.000 0.000 0.243 676 Q C 0.470 176.629 176.000 0.265 0.000 0.874 676 Q CA 0.481 56.339 55.803 0.092 0.000 0.950 676 Q CB 1.461 30.219 28.738 0.034 0.000 1.103 676 Q HN 0.514 nan 8.270 nan 0.000 0.544 677 R N -0.516 120.082 120.500 0.162 0.000 2.707 677 R HA 0.427 4.767 4.340 -0.000 0.000 0.272 677 R C -2.505 173.896 176.300 0.168 0.000 1.011 677 R CA -1.467 54.717 56.100 0.140 0.000 0.893 677 R CB 1.263 31.671 30.300 0.180 0.000 1.233 677 R HN -0.301 nan 8.270 nan 0.000 0.464 678 P HA -0.058 nan 4.420 nan 0.000 0.224 678 P C -0.671 176.876 177.300 0.412 0.000 1.157 678 P CA 0.916 64.179 63.100 0.272 0.000 0.799 678 P CB 0.056 31.852 31.700 0.161 0.000 0.809 679 D N 0.762 121.324 120.400 0.270 0.000 2.467 679 D HA 0.204 4.844 4.640 -0.000 0.000 0.220 679 D C -0.108 176.174 176.300 -0.029 0.000 1.103 679 D CA -0.870 53.162 54.000 0.053 0.000 0.886 679 D CB -0.058 40.781 40.800 0.065 0.000 1.025 679 D HN 0.260 nan 8.370 nan 0.000 0.514 680 Y N -1.121 118.876 120.300 -0.505 0.000 2.829 680 Y HA 0.494 5.044 4.550 -0.000 0.000 0.322 680 Y C -1.005 174.409 175.900 -0.810 0.000 1.357 680 Y CA -1.851 55.967 58.100 -0.470 0.000 1.081 680 Y CB 0.946 39.292 38.460 -0.191 0.000 1.339 680 Y HN 0.010 nan 8.280 nan 0.000 0.469 681 V N 3.539 123.278 119.914 -0.292 0.000 2.313 681 V HA 0.086 4.206 4.120 -0.000 0.000 0.252 681 V C -0.135 175.823 176.094 -0.227 0.000 1.112 681 V CA -0.422 61.653 62.300 -0.374 0.000 0.984 681 V CB -0.703 30.941 31.823 -0.298 0.000 1.157 681 V HN 0.834 nan 8.190 nan 0.000 0.493 682 W N 4.633 125.845 121.300 -0.146 0.000 2.425 682 W HA -0.083 4.577 4.660 -0.000 0.000 0.277 682 W C 2.072 178.599 176.519 0.013 0.000 1.231 682 W CA 1.409 58.656 57.345 -0.163 0.000 1.248 682 W CB -0.723 28.600 29.460 -0.228 0.000 1.117 682 W HN 0.974 nan 8.180 nan 0.000 0.568 683 H N -0.749 118.417 119.070 0.159 0.000 2.533 683 H HA 0.166 4.722 4.556 -0.000 0.000 0.271 683 H C -0.043 175.325 175.328 0.068 0.000 1.000 683 H CA 0.498 56.606 56.048 0.101 0.000 1.149 683 H CB -0.174 29.641 29.762 0.088 0.000 1.375 683 H HN 0.025 nan 8.280 nan 0.000 0.582 684 E N 0.852 120.974 120.200 -0.129 0.000 2.176 684 E HA 0.343 4.693 4.350 -0.000 0.000 0.267 684 E C 0.364 176.990 176.600 0.044 0.000 0.893 684 E CA -0.053 56.309 56.400 -0.064 0.000 0.761 684 E CB 1.254 30.863 29.700 -0.151 0.000 1.133 684 E HN 0.545 nan 8.360 nan 0.000 0.409 685 G N 3.734 112.583 108.800 0.081 0.000 2.143 685 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 685 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 685 G C 0.293 175.255 174.900 0.103 0.000 0.991 685 G CA 0.598 45.750 45.100 0.086 0.000 0.689 685 G HN 0.561 nan 8.290 nan 0.000 0.522 686 T N 0.574 115.188 114.554 0.101 0.000 2.930 686 T HA 0.516 4.866 4.350 -0.000 0.000 0.306 686 T C 0.578 175.229 174.700 -0.080 0.000 1.045 686 T CA 0.624 62.689 62.100 -0.059 0.000 1.134 686 T CB 1.800 70.486 68.868 -0.302 0.000 0.961 686 T HN 1.488 nan 8.240 nan 0.000 0.545 687 A N 3.285 126.034 122.820 -0.119 0.000 2.316 687 A HA 0.647 4.967 4.320 -0.000 0.000 0.324 687 A C -0.497 176.991 177.584 -0.159 0.000 1.375 687 A CA -0.756 51.251 52.037 -0.050 0.000 0.882 687 A CB -0.157 18.900 19.000 0.096 0.000 1.152 687 A HN 0.698 nan 8.150 nan 0.000 0.512 688 F N 2.053 121.989 119.950 -0.024 0.000 2.385 688 F HA 0.417 4.944 4.527 -0.000 0.000 0.336 688 F C 0.878 176.512 175.800 -0.277 0.000 1.100 688 F CA 0.309 58.300 58.000 -0.014 0.000 1.116 688 F CB 1.154 40.164 39.000 0.016 0.000 1.166 688 F HN 0.488 nan 8.300 nan 0.000 0.511 689 H N 3.651 122.870 119.070 0.249 0.000 2.744 689 H HA 0.321 4.877 4.556 -0.000 0.000 0.339 689 H C -1.304 174.023 175.328 -0.001 0.000 1.004 689 H CA -0.852 55.217 56.048 0.034 0.000 1.257 689 H CB 2.365 32.117 29.762 -0.018 0.000 1.552 689 H HN 0.403 nan 8.280 nan 0.000 0.522 690 L N 4.120 125.315 121.223 -0.046 0.000 2.264 690 L HA 0.361 4.701 4.340 -0.000 0.000 0.289 690 L C -1.320 175.451 176.870 -0.164 0.000 1.044 690 L CA -0.215 54.623 54.840 -0.004 0.000 0.807 690 L CB 0.029 42.088 42.059 -0.000 0.000 1.192 690 L HN 0.345 nan 8.230 nan 0.000 0.425 691 F N 4.262 124.235 119.950 0.039 0.000 2.402 691 F HA 0.391 4.918 4.527 -0.000 0.000 0.355 691 F C 0.790 176.573 175.800 -0.028 0.000 1.123 691 F CA -0.735 57.272 58.000 0.011 0.000 1.021 691 F CB 0.610 39.602 39.000 -0.014 0.000 1.160 691 F HN 0.627 nan 8.300 nan 0.000 0.451 692 N N 3.082 121.846 118.700 0.107 0.000 2.666 692 N HA -0.239 4.501 4.740 -0.000 0.000 0.274 692 N C -0.883 174.620 175.510 -0.011 0.000 1.043 692 N CA -0.170 52.903 53.050 0.039 0.000 0.782 692 N CB -0.407 38.097 38.487 0.030 0.000 0.912 692 N HN 0.511 nan 8.380 nan 0.000 0.556 693 L N 1.669 122.892 121.223 0.000 0.000 2.325 693 L HA 0.117 4.457 4.340 -0.000 0.000 0.284 693 L C 0.582 177.443 176.870 -0.016 0.000 1.089 693 L CA -0.046 54.787 54.840 -0.011 0.000 0.836 693 L CB 0.533 42.604 42.059 0.021 0.000 1.184 693 L HN 0.353 nan 8.230 nan 0.000 0.444 694 Q N 2.457 122.214 119.800 -0.072 0.000 2.260 694 Q HA 0.128 4.468 4.340 -0.000 0.000 0.242 694 Q C -0.595 175.488 176.000 0.138 0.000 0.932 694 Q CA -0.711 55.081 55.803 -0.020 0.000 0.891 694 Q CB 1.451 30.090 28.738 -0.165 0.000 1.222 694 Q HN 0.498 nan 8.270 nan 0.000 0.453 695 D N -0.202 120.272 120.400 0.124 0.000 2.425 695 D HA 0.148 4.788 4.640 -0.000 0.000 0.247 695 D C 0.763 177.153 176.300 0.150 0.000 1.147 695 D CA 1.575 55.640 54.000 0.109 0.000 0.879 695 D CB 0.391 41.231 40.800 0.066 0.000 1.179 695 D HN 0.702 nan 8.370 nan 0.000 0.456 696 G N 2.717 111.561 108.800 0.073 0.000 2.157 696 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 696 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 696 G C 0.313 175.118 174.900 -0.158 0.000 0.979 696 G CA 0.332 45.413 45.100 -0.031 0.000 0.650 696 G HN 0.720 nan 8.290 nan 0.000 0.529 697 H N -0.138 118.928 119.070 -0.007 0.000 2.710 697 H HA 0.673 5.229 4.556 -0.000 0.000 0.361 697 H C -0.532 174.788 175.328 -0.013 0.000 1.175 697 H CA -0.393 55.648 56.048 -0.010 0.000 1.206 697 H CB 2.123 31.880 29.762 -0.009 0.000 1.750 697 H HN 0.339 nan 8.280 nan 0.000 0.553 698 E N 0.561 120.825 120.200 0.107 0.000 2.272 698 E HA 0.547 4.897 4.350 -0.000 0.000 0.269 698 E C -1.597 175.031 176.600 0.047 0.000 0.877 698 E CA -0.973 55.454 56.400 0.046 0.000 0.755 698 E CB 1.917 31.618 29.700 0.002 0.000 1.192 698 E HN 0.697 nan 8.360 nan 0.000 0.422 699 A N 3.486 126.321 122.820 0.025 0.000 2.292 699 A HA 0.560 4.880 4.320 -0.000 0.000 0.319 699 A C -0.859 176.717 177.584 -0.014 0.000 1.206 699 A CA -0.569 51.478 52.037 0.017 0.000 0.835 699 A CB 1.107 20.126 19.000 0.031 0.000 1.164 699 A HN 0.358 nan 8.150 nan 0.000 0.505 700 V N 1.689 121.595 119.914 -0.014 0.000 2.459 700 V HA 0.460 4.580 4.120 -0.000 0.000 0.295 700 V C -0.244 175.845 176.094 -0.008 0.000 1.029 700 V CA -0.590 61.686 62.300 -0.040 0.000 0.874 700 V CB 1.261 33.058 31.823 -0.043 0.000 0.985 700 V HN 1.008 nan 8.190 nan 0.000 0.438 701 C N 5.024 124.308 119.300 -0.028 0.000 2.340 701 C HA 0.591 5.051 4.460 -0.000 0.000 0.323 701 C C -0.170 174.838 174.990 0.030 0.000 1.260 701 C CA -0.418 58.635 59.018 0.059 0.000 1.464 701 C CB 0.311 28.147 27.740 0.160 0.000 2.156 701 C HN 0.989 nan 8.230 nan 0.000 0.476 702 E N 4.506 124.743 120.200 0.062 0.000 2.114 702 E HA 0.391 4.741 4.350 -0.000 0.000 0.266 702 E C -0.774 175.891 176.600 0.109 0.000 0.896 702 E CA -0.388 56.039 56.400 0.045 0.000 0.750 702 E CB 1.722 31.426 29.700 0.007 0.000 1.121 702 E HN 0.587 nan 8.360 nan 0.000 0.413 703 V N 5.510 125.533 119.914 0.182 0.000 2.461 703 V HA 0.233 4.353 4.120 -0.000 0.000 0.275 703 V C -1.873 174.330 176.094 0.181 0.000 1.047 703 V CA -1.638 60.792 62.300 0.216 0.000 0.955 703 V CB 0.643 32.671 31.823 0.341 0.000 0.988 703 V HN 0.574 nan 8.190 nan 0.000 0.471 704 P HA 0.454 nan 4.420 nan 0.000 0.284 704 P C -0.550 176.966 177.300 0.360 0.000 1.258 704 P CA -0.399 62.832 63.100 0.220 0.000 0.824 704 P CB 1.521 33.336 31.700 0.191 0.000 1.038 705 A N 2.064 125.035 122.820 0.252 0.000 2.259 705 A HA 0.501 4.821 4.320 -0.000 0.000 0.278 705 A C 1.705 179.478 177.584 0.315 0.000 1.107 705 A CA 0.168 52.326 52.037 0.202 0.000 0.828 705 A CB -0.520 18.531 19.000 0.086 0.000 1.111 705 A HN 0.524 nan 8.150 nan 0.000 0.498 706 A N -0.123 122.769 122.820 0.121 0.000 2.076 706 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 706 A C 1.343 179.078 177.584 0.251 0.000 1.160 706 A CA 2.043 54.116 52.037 0.059 0.000 0.653 706 A CB -0.587 18.348 19.000 -0.108 0.000 0.801 706 A HN 0.859 nan 8.150 nan 0.000 0.455 707 D N -2.777 117.762 120.400 0.233 0.000 2.339 707 D HA 0.271 4.911 4.640 -0.000 0.000 0.217 707 D C 1.236 177.685 176.300 0.248 0.000 1.050 707 D CA 1.096 55.228 54.000 0.221 0.000 0.856 707 D CB -0.303 40.572 40.800 0.126 0.000 0.922 707 D HN 0.705 nan 8.370 nan 0.000 0.518 708 G N 0.604 109.602 108.800 0.330 0.000 2.284 708 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.230 708 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.230 708 G C 0.549 175.510 174.900 0.101 0.000 1.021 708 G CA 0.401 45.610 45.100 0.181 0.000 0.619 708 G HN 0.845 nan 8.290 nan 0.000 0.510 709 S N -0.089 115.667 115.700 0.093 0.000 2.563 709 S HA 0.411 4.881 4.470 -0.000 0.000 0.269 709 S C 0.498 175.137 174.600 0.064 0.000 1.364 709 S CA 0.176 58.411 58.200 0.058 0.000 1.010 709 S CB 1.631 64.860 63.200 0.049 0.000 0.877 709 S HN 1.220 nan 8.310 nan 0.000 0.549 710 V N 2.740 122.676 119.914 0.037 0.000 2.432 710 V HA 0.244 4.364 4.120 -0.000 0.000 0.271 710 V C 1.037 177.152 176.094 0.036 0.000 1.046 710 V CA -0.176 62.147 62.300 0.038 0.000 0.945 710 V CB 0.606 32.435 31.823 0.010 0.000 0.992 710 V HN 0.949 nan 8.190 nan 0.000 0.471 711 I N 4.281 124.879 120.570 0.048 0.000 3.081 711 I HA 0.304 4.474 4.170 -0.000 0.000 0.274 711 I C 0.116 176.309 176.117 0.127 0.000 1.178 711 I CA 0.738 62.044 61.300 0.011 0.000 1.460 711 I CB 0.484 38.387 38.000 -0.163 0.000 1.137 711 I HN 0.524 nan 8.210 nan 0.000 0.443 712 F N -0.016 119.918 119.950 -0.026 0.000 2.581 712 F HA 0.499 5.026 4.527 -0.000 0.000 0.311 712 F C -1.015 174.777 175.800 -0.013 0.000 1.113 712 F CA -0.575 57.420 58.000 -0.008 0.000 0.935 712 F CB 1.742 40.764 39.000 0.036 0.000 1.232 712 F HN -0.372 nan 8.300 nan 0.000 0.445 713 T N 6.545 120.653 114.554 -0.745 0.000 2.841 713 T HA 0.483 4.833 4.350 -0.000 0.000 0.285 713 T C -1.277 172.855 174.700 -0.947 0.000 0.991 713 T CA -0.565 61.174 62.100 -0.603 0.000 0.966 713 T CB 1.390 70.058 68.868 -0.334 0.000 0.962 713 T HN 0.502 nan 8.240 nan 0.000 0.438 714 L N 3.722 124.523 121.223 -0.703 0.000 2.322 714 L HA 0.588 4.928 4.340 -0.000 0.000 0.281 714 L C -0.526 176.118 176.870 -0.376 0.000 1.014 714 L CA -0.700 53.737 54.840 -0.672 0.000 0.815 714 L CB 1.404 42.907 42.059 -0.926 0.000 1.247 714 L HN 0.587 nan 8.230 nan 0.000 0.421 715 K N 3.662 123.893 120.400 -0.282 0.000 2.316 715 K HA 0.722 5.042 4.320 -0.000 0.000 0.251 715 K C -0.980 175.548 176.600 -0.120 0.000 0.934 715 K CA -0.671 55.518 56.287 -0.163 0.000 0.802 715 K CB 2.576 35.001 32.500 -0.125 0.000 1.171 715 K HN 0.605 nan 8.250 nan 0.000 0.426 716 A N 1.585 124.360 122.820 -0.074 0.000 2.319 716 A HA 0.736 5.056 4.320 -0.000 0.000 0.310 716 A C -1.068 176.509 177.584 -0.012 0.000 1.152 716 A CA -0.638 51.377 52.037 -0.036 0.000 0.783 716 A CB 1.199 20.186 19.000 -0.021 0.000 1.184 716 A HN 0.722 nan 8.150 nan 0.000 0.474 717 A N 2.742 125.558 122.820 -0.006 0.000 2.356 717 A HA 0.784 5.104 4.320 -0.000 0.000 0.310 717 A C -0.172 177.420 177.584 0.014 0.000 1.075 717 A CA -0.634 51.406 52.037 0.005 0.000 0.746 717 A CB 0.974 19.969 19.000 -0.009 0.000 1.221 717 A HN 0.870 nan 8.150 nan 0.000 0.443 718 R N 1.088 121.607 120.500 0.031 0.000 2.445 718 R HA 0.648 4.988 4.340 -0.000 0.000 0.308 718 R C -1.219 175.097 176.300 0.027 0.000 0.961 718 R CA -0.048 56.072 56.100 0.033 0.000 0.862 718 R CB 1.544 31.875 30.300 0.051 0.000 1.144 718 R HN 0.647 nan 8.270 nan 0.000 0.447 719 T N 2.962 117.526 114.554 0.018 0.000 3.050 719 T HA 0.451 4.801 4.350 -0.000 0.000 0.310 719 T C 0.366 175.073 174.700 0.013 0.000 0.978 719 T CA 0.662 62.769 62.100 0.011 0.000 1.013 719 T CB 0.990 69.859 68.868 0.002 0.000 1.000 719 T HN 0.917 nan 8.240 nan 0.000 0.447 720 G N 5.628 114.439 108.800 0.017 0.000 2.602 720 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.310 720 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.310 720 G C 0.565 175.477 174.900 0.021 0.000 1.183 720 G CA 0.672 45.783 45.100 0.018 0.000 0.979 720 G HN 0.651 nan 8.290 nan 0.000 0.545 721 N N 1.196 119.905 118.700 0.015 0.000 2.187 721 N HA 0.297 5.037 4.740 -0.000 0.000 0.212 721 N C -0.170 175.344 175.510 0.005 0.000 1.152 721 N CA 0.763 53.821 53.050 0.014 0.000 0.872 721 N CB 0.797 39.291 38.487 0.012 0.000 1.025 721 N HN 0.496 nan 8.380 nan 0.000 0.514 722 T N 2.311 116.868 114.554 0.005 0.000 2.744 722 T HA 0.429 4.779 4.350 -0.000 0.000 0.291 722 T C 0.498 175.202 174.700 0.008 0.000 0.957 722 T CA -0.505 61.596 62.100 0.002 0.000 1.002 722 T CB 0.755 69.623 68.868 -0.001 0.000 0.919 722 T HN 0.064 nan 8.240 nan 0.000 0.468 723 I N 1.011 121.586 120.570 0.009 0.000 2.321 723 I HA 0.469 4.639 4.170 -0.000 0.000 0.291 723 I C -0.236 175.887 176.117 0.009 0.000 0.998 723 I CA -0.771 60.535 61.300 0.011 0.000 1.227 723 I CB 0.966 38.975 38.000 0.014 0.000 1.368 723 I HN 0.336 nan 8.210 nan 0.000 0.466 724 T N 6.001 120.558 114.554 0.005 0.000 2.771 724 T HA 0.453 4.803 4.350 -0.000 0.000 0.291 724 T C 0.118 174.817 174.700 -0.001 0.000 0.954 724 T CA -0.400 61.702 62.100 0.004 0.000 1.045 724 T CB 1.730 70.597 68.868 -0.001 0.000 0.917 724 T HN 0.434 nan 8.240 nan 0.000 0.484 725 V N 4.462 124.383 119.914 0.011 0.000 2.417 725 V HA 0.652 4.772 4.120 -0.000 0.000 0.291 725 V C 0.312 176.412 176.094 0.009 0.000 1.024 725 V CA -0.881 61.420 62.300 0.002 0.000 0.861 725 V CB 1.540 33.389 31.823 0.043 0.000 0.985 725 V HN 1.097 nan 8.190 nan 0.000 0.436 726 T N 1.146 115.673 114.554 -0.045 0.000 2.879 726 T HA 0.743 5.093 4.350 -0.000 0.000 0.290 726 T C -0.002 174.619 174.700 -0.130 0.000 0.993 726 T CA -0.488 61.589 62.100 -0.039 0.000 0.975 726 T CB 1.637 70.479 68.868 -0.042 0.000 0.981 726 T HN 0.880 nan 8.240 nan 0.000 0.439 727 G N 0.945 109.716 108.800 -0.049 0.000 2.412 727 G HA2 0.740 4.700 3.960 -0.000 0.000 0.318 727 G HA3 0.740 4.700 3.960 -0.000 0.000 0.318 727 G C -0.798 174.019 174.900 -0.139 0.000 1.146 727 G CA -0.898 44.090 45.100 -0.187 0.000 0.882 727 G HN 1.289 nan 8.290 nan 0.000 0.501 728 A N 0.186 122.775 122.820 -0.386 0.000 2.465 728 A HA 0.956 5.276 4.320 -0.000 0.000 0.292 728 A C 0.298 177.853 177.584 -0.047 0.000 1.041 728 A CA 0.504 52.469 52.037 -0.119 0.000 0.718 728 A CB 1.104 20.022 19.000 -0.136 0.000 1.266 728 A HN 2.620 nan 8.150 nan 0.000 0.403 729 G N 0.758 109.684 108.800 0.210 0.000 2.378 729 G HA2 0.131 4.091 3.960 -0.000 0.000 0.198 729 G HA3 0.131 4.091 3.960 -0.000 0.000 0.198 729 G C -0.506 174.643 174.900 0.414 0.000 1.223 729 G CA -0.045 45.224 45.100 0.281 0.000 1.088 729 G HN 1.049 nan 8.290 nan 0.000 0.530 730 E N 0.597 120.992 120.200 0.325 0.000 2.092 730 E HA 0.626 4.976 4.350 -0.000 0.000 0.271 730 E C 0.022 176.665 176.600 0.070 0.000 0.919 730 E CA 0.014 56.514 56.400 0.166 0.000 0.760 730 E CB 0.946 30.687 29.700 0.069 0.000 1.106 730 E HN 1.316 nan 8.360 nan 0.000 0.408 731 A N 3.991 126.769 122.820 -0.071 0.000 2.602 731 A HA 0.765 5.085 4.320 -0.000 0.000 0.290 731 A C -1.493 176.138 177.584 0.078 0.000 1.114 731 A CA -0.865 51.098 52.037 -0.123 0.000 0.683 731 A CB 1.722 20.165 19.000 -0.928 0.000 1.281 731 A HN 0.481 nan 8.150 nan 0.000 0.416 732 K N 0.323 120.811 120.400 0.146 0.000 2.546 732 K HA 0.537 4.857 4.320 -0.000 0.000 0.264 732 K C -0.436 176.226 176.600 0.102 0.000 0.937 732 K CA -0.425 55.917 56.287 0.093 0.000 0.833 732 K CB 1.547 34.062 32.500 0.025 0.000 1.378 732 K HN 0.780 nan 8.250 nan 0.000 0.432 733 N N 1.445 120.139 118.700 -0.010 0.000 2.716 733 N HA -0.189 4.551 4.740 -0.000 0.000 0.250 733 N C -0.828 174.719 175.510 0.062 0.000 1.033 733 N CA 0.642 53.672 53.050 -0.033 0.000 0.727 733 N CB -0.505 37.978 38.487 -0.007 0.000 0.950 733 N HN 0.537 nan 8.380 nan 0.000 0.541 734 W N -0.422 120.905 121.300 0.046 0.000 2.415 734 W HA 0.721 5.381 4.660 -0.000 0.000 0.355 734 W C -0.056 176.551 176.519 0.146 0.000 1.161 734 W CA -0.393 57.029 57.345 0.127 0.000 1.315 734 W CB 0.861 30.503 29.460 0.303 0.000 1.261 734 W HN -0.200 nan 8.180 nan 0.000 0.636 735 T N 2.083 117.013 114.554 0.626 0.000 2.864 735 T HA 0.511 4.861 4.350 -0.000 0.000 0.299 735 T C -1.596 173.415 174.700 0.519 0.000 1.166 735 T CA -0.789 61.543 62.100 0.387 0.000 1.007 735 T CB 1.720 70.682 68.868 0.157 0.000 1.219 735 T HN 0.440 nan 8.240 nan 0.000 0.506 736 L N 2.700 124.107 121.223 0.306 0.000 2.446 736 L HA 0.566 4.906 4.340 -0.000 0.000 0.268 736 L C -0.970 175.931 176.870 0.053 0.000 0.975 736 L CA -0.550 54.424 54.840 0.224 0.000 0.848 736 L CB 1.029 43.251 42.059 0.272 0.000 1.225 736 L HN 0.848 nan 8.230 nan 0.000 0.410 737 C N 6.602 125.854 119.300 -0.080 0.000 2.273 737 C HA 0.472 4.932 4.460 -0.000 0.000 0.328 737 C C 0.318 175.272 174.990 -0.060 0.000 1.275 737 C CA -0.683 58.283 59.018 -0.085 0.000 1.704 737 C CB -0.041 27.602 27.740 -0.163 0.000 2.326 737 C HN 0.723 nan 8.230 nan 0.000 0.517 738 L N 6.647 127.854 121.223 -0.027 0.000 2.334 738 L HA 0.351 4.691 4.340 -0.000 0.000 0.286 738 L C 0.559 177.397 176.870 -0.054 0.000 1.108 738 L CA -0.214 54.605 54.840 -0.035 0.000 0.875 738 L CB -0.246 41.810 42.059 -0.004 0.000 1.246 738 L HN 0.606 nan 8.230 nan 0.000 0.439 739 R N 3.422 123.839 120.500 -0.139 0.000 2.484 739 R HA 0.047 4.387 4.340 -0.000 0.000 0.293 739 R C 0.771 177.034 176.300 -0.061 0.000 1.023 739 R CA 0.389 56.386 56.100 -0.172 0.000 1.037 739 R CB -0.179 29.806 30.300 -0.526 0.000 0.951 739 R HN 0.535 nan 8.270 nan 0.000 0.418 740 N N 0.969 119.665 118.700 -0.008 0.000 2.741 740 N HA -0.187 4.553 4.740 -0.000 0.000 0.251 740 N C -1.304 174.222 175.510 0.026 0.000 1.112 740 N CA 1.103 54.170 53.050 0.027 0.000 0.750 740 N CB -0.651 37.865 38.487 0.049 0.000 1.119 740 N HN 0.200 nan 8.380 nan 0.000 0.561 741 V N 1.593 121.518 119.914 0.018 0.000 2.326 741 V HA 0.188 4.308 4.120 -0.000 0.000 0.281 741 V C 1.597 177.709 176.094 0.030 0.000 1.015 741 V CA -0.289 62.026 62.300 0.025 0.000 0.823 741 V CB 1.569 33.403 31.823 0.019 0.000 1.009 741 V HN 0.117 nan 8.190 nan 0.000 0.436 742 V N 2.060 121.995 119.914 0.035 0.000 2.446 742 V HA 0.281 4.401 4.120 -0.000 0.000 0.244 742 V C 0.818 176.936 176.094 0.039 0.000 1.039 742 V CA 1.081 63.402 62.300 0.035 0.000 1.045 742 V CB -0.115 31.728 31.823 0.033 0.000 0.681 742 V HN 0.619 nan 8.190 nan 0.000 0.459 743 K N -0.434 119.995 120.400 0.049 0.000 2.426 743 K HA 0.740 5.060 4.320 -0.000 0.000 0.251 743 K C -1.851 174.799 176.600 0.083 0.000 0.941 743 K CA -0.535 55.791 56.287 0.065 0.000 0.808 743 K CB 3.058 35.602 32.500 0.073 0.000 1.265 743 K HN 0.146 nan 8.250 nan 0.000 0.432 744 V N 2.084 122.045 119.914 0.080 0.000 2.876 744 V HA 0.122 4.242 4.120 -0.000 0.000 0.312 744 V C 0.867 176.973 176.094 0.021 0.000 1.085 744 V CA -0.568 61.763 62.300 0.053 0.000 0.945 744 V CB 1.971 33.807 31.823 0.023 0.000 1.017 744 V HN 0.926 nan 8.190 nan 0.000 0.428 745 N N 2.495 121.126 118.700 -0.114 0.000 2.080 745 N HA 0.126 4.866 4.740 -0.000 0.000 0.189 745 N C 0.489 175.908 175.510 -0.151 0.000 1.036 745 N CA 1.505 54.353 53.050 -0.336 0.000 0.846 745 N CB 0.026 38.158 38.487 -0.591 0.000 1.015 745 N HN 0.857 nan 8.380 nan 0.000 0.423 746 G N -0.876 107.866 108.800 -0.097 0.000 2.684 746 G HA2 0.572 4.532 3.960 -0.000 0.000 0.290 746 G HA3 0.572 4.532 3.960 -0.000 0.000 0.290 746 G C -2.139 172.743 174.900 -0.029 0.000 1.425 746 G CA -0.596 44.471 45.100 -0.054 0.000 0.822 746 G HN 0.157 nan 8.290 nan 0.000 0.482 747 L N 0.436 121.649 121.223 -0.018 0.000 2.516 747 L HA 0.470 4.810 4.340 -0.000 0.000 0.267 747 L C -1.225 175.640 176.870 -0.007 0.000 0.957 747 L CA -0.744 54.091 54.840 -0.008 0.000 0.860 747 L CB 2.178 44.234 42.059 -0.004 0.000 1.265 747 L HN 0.396 nan 8.230 nan 0.000 0.403 748 Q N 3.224 123.022 119.800 -0.003 0.000 2.348 748 Q HA 0.317 4.657 4.340 -0.000 0.000 0.265 748 Q C -0.992 175.010 176.000 0.002 0.000 0.998 748 Q CA -0.274 55.528 55.803 -0.002 0.000 0.831 748 Q CB 1.842 30.580 28.738 -0.000 0.000 1.251 748 Q HN 0.734 nan 8.270 nan 0.000 0.456 749 D N 0.951 121.349 120.400 -0.003 0.000 2.956 749 D HA -0.101 4.539 4.640 -0.000 0.000 0.223 749 D C -0.104 176.184 176.300 -0.020 0.000 1.102 749 D CA 1.139 55.135 54.000 -0.007 0.000 0.797 749 D CB -1.021 39.783 40.800 0.005 0.000 1.094 749 D HN 0.775 nan 8.370 nan 0.000 0.438 750 G N -1.128 107.658 108.800 -0.024 0.000 2.632 750 G HA2 0.599 4.559 3.960 -0.000 0.000 0.292 750 G HA3 0.599 4.559 3.960 -0.000 0.000 0.292 750 G C -0.616 174.266 174.900 -0.030 0.000 1.465 750 G CA -0.183 44.894 45.100 -0.038 0.000 0.824 750 G HN 0.442 nan 8.290 nan 0.000 0.509 751 S N -0.665 115.012 115.700 -0.038 0.000 2.722 751 S HA 0.824 5.294 4.470 -0.000 0.000 0.292 751 S C -0.260 174.330 174.600 -0.016 0.000 1.135 751 S CA -0.712 57.472 58.200 -0.026 0.000 1.003 751 S CB 1.825 65.006 63.200 -0.031 0.000 1.067 751 S HN 1.059 nan 8.310 nan 0.000 0.546 752 Q N -0.420 119.376 119.800 -0.007 0.000 2.451 752 Q HA 0.849 5.189 4.340 -0.000 0.000 0.281 752 Q C -1.387 174.617 176.000 0.005 0.000 1.099 752 Q CA -1.532 54.273 55.803 0.002 0.000 0.806 752 Q CB 2.098 30.841 28.738 0.008 0.000 1.419 752 Q HN 1.004 nan 8.270 nan 0.000 0.427 753 A N 1.078 123.905 122.820 0.011 0.000 2.594 753 A HA 0.509 4.829 4.320 -0.000 0.000 0.295 753 A C -1.337 176.260 177.584 0.022 0.000 1.071 753 A CA -0.842 51.204 52.037 0.015 0.000 0.685 753 A CB 1.658 20.665 19.000 0.012 0.000 1.285 753 A HN 0.779 nan 8.150 nan 0.000 0.405 754 E N 0.530 120.744 120.200 0.024 0.000 2.390 754 E HA 0.499 4.849 4.350 -0.000 0.000 0.261 754 E C 0.156 176.777 176.600 0.036 0.000 1.076 754 E CA 0.477 56.895 56.400 0.030 0.000 0.905 754 E CB 0.922 30.639 29.700 0.029 0.000 0.984 754 E HN 0.825 nan 8.360 nan 0.000 0.427 755 S N -0.240 115.485 115.700 0.043 0.000 2.547 755 S HA 0.100 4.570 4.470 -0.000 0.000 0.270 755 S C 0.233 174.868 174.600 0.059 0.000 1.150 755 S CA -0.916 57.316 58.200 0.054 0.000 0.850 755 S CB 1.212 64.451 63.200 0.065 0.000 1.118 755 S HN 0.666 nan 8.310 nan 0.000 0.461 756 E N 0.457 120.697 120.200 0.066 0.000 2.516 756 E HA -0.053 4.297 4.350 -0.000 0.000 0.199 756 E C 1.161 177.808 176.600 0.078 0.000 1.069 756 E CA 0.557 56.998 56.400 0.069 0.000 0.876 756 E CB -0.298 29.444 29.700 0.071 0.000 0.843 756 E HN 0.714 nan 8.360 nan 0.000 0.530 757 Q N 0.521 120.373 119.800 0.087 0.000 2.392 757 Q HA 0.214 4.554 4.340 -0.000 0.000 0.203 757 Q C 0.329 176.366 176.000 0.060 0.000 0.917 757 Q CA 0.373 56.230 55.803 0.089 0.000 0.939 757 Q CB 1.059 29.870 28.738 0.122 0.000 1.063 757 Q HN 0.378 nan 8.270 nan 0.000 0.516 758 G N 0.257 109.089 108.800 0.053 0.000 2.353 758 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.424 758 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.424 758 G C -2.007 172.914 174.900 0.034 0.000 1.320 758 G CA -1.146 43.974 45.100 0.035 0.000 0.995 758 G HN 0.004 nan 8.290 nan 0.000 0.580 759 L N 0.467 121.705 121.223 0.026 0.000 2.410 759 L HA 0.535 4.875 4.340 -0.000 0.000 0.273 759 L C 0.614 177.497 176.870 0.022 0.000 1.144 759 L CA -0.072 54.783 54.840 0.025 0.000 0.863 759 L CB 1.096 43.169 42.059 0.025 0.000 1.140 759 L HN 0.546 nan 8.230 nan 0.000 0.463 760 V N 6.261 126.190 119.914 0.024 0.000 2.383 760 V HA 0.350 4.470 4.120 -0.000 0.000 0.275 760 V C 0.011 176.119 176.094 0.023 0.000 1.036 760 V CA -0.730 61.584 62.300 0.023 0.000 0.889 760 V CB 1.330 33.169 31.823 0.026 0.000 0.985 760 V HN 0.467 nan 8.190 nan 0.000 0.459 761 V N 4.819 124.753 119.914 0.034 0.000 2.427 761 V HA 0.442 4.562 4.120 -0.000 0.000 0.286 761 V C 0.037 176.134 176.094 0.006 0.000 1.034 761 V CA -0.787 61.528 62.300 0.025 0.000 0.893 761 V CB 1.739 33.589 31.823 0.044 0.000 0.982 761 V HN 0.848 nan 8.190 nan 0.000 0.452 762 K N 7.886 128.259 120.400 -0.046 0.000 2.316 762 K HA 0.494 4.814 4.320 -0.000 0.000 0.267 762 K C -2.547 173.942 176.600 -0.186 0.000 1.025 762 K CA -2.029 54.184 56.287 -0.123 0.000 0.896 762 K CB 1.511 33.952 32.500 -0.097 0.000 1.124 762 K HN 0.366 nan 8.250 nan 0.000 0.451 763 P HA 0.072 nan 4.420 nan 0.000 0.274 763 P C -1.524 175.617 177.300 -0.265 0.000 1.237 763 P CA -0.187 62.710 63.100 -0.339 0.000 0.793 763 P CB 0.759 32.028 31.700 -0.719 0.000 0.977 764 Q N -0.230 119.482 119.800 -0.147 0.000 2.613 764 Q HA 0.451 4.791 4.340 -0.000 0.000 0.231 764 Q C -0.548 175.427 176.000 -0.042 0.000 0.879 764 Q CA -0.676 55.069 55.803 -0.097 0.000 1.083 764 Q CB 0.192 28.879 28.738 -0.086 0.000 1.588 764 Q HN 0.765 nan 8.270 nan 0.000 0.500 765 G N 2.938 111.726 108.800 -0.019 0.000 2.623 765 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.281 765 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.281 765 G C -0.362 174.555 174.900 0.028 0.000 1.087 765 G CA -0.116 44.988 45.100 0.006 0.000 1.244 765 G HN 0.702 nan 8.290 nan 0.000 0.544 766 N N 0.291 119.026 118.700 0.057 0.000 2.293 766 N HA 0.264 5.004 4.740 -0.000 0.000 0.253 766 N C 1.209 176.760 175.510 0.069 0.000 1.248 766 N CA 1.971 55.079 53.050 0.096 0.000 0.845 766 N CB 0.579 39.151 38.487 0.140 0.000 1.073 766 N HN 1.715 nan 8.380 nan 0.000 0.464 767 A N 2.907 125.771 122.820 0.073 0.000 3.561 767 A HA -0.094 4.226 4.320 -0.000 0.000 0.203 767 A C 0.405 178.018 177.584 0.049 0.000 1.306 767 A CA -0.238 51.827 52.037 0.046 0.000 1.194 767 A CB -1.307 17.711 19.000 0.030 0.000 0.807 767 A HN 0.604 nan 8.150 nan 0.000 0.394 768 L N 1.990 123.248 121.223 0.057 0.000 4.266 768 L HA -0.142 4.198 4.340 -0.000 0.000 0.561 768 L C -0.577 176.317 176.870 0.040 0.000 0.996 768 L CA 1.239 56.112 54.840 0.056 0.000 0.786 768 L CB -0.175 41.946 42.059 0.103 0.000 0.591 768 L HN 0.626 nan 8.230 nan 0.000 0.996 769 T N 6.780 121.348 114.554 0.024 0.000 2.807 769 T HA 0.666 5.016 4.350 -0.000 0.000 0.279 769 T C -0.136 174.570 174.700 0.010 0.000 0.993 769 T CA -0.384 61.724 62.100 0.015 0.000 0.970 769 T CB 1.160 70.032 68.868 0.007 0.000 0.950 769 T HN 0.371 nan 8.240 nan 0.000 0.441 770 I N 2.705 123.280 120.570 0.009 0.000 2.433 770 I HA 0.420 4.590 4.170 -0.000 0.000 0.292 770 I C 0.430 176.543 176.117 -0.005 0.000 1.001 770 I CA -0.730 60.573 61.300 0.004 0.000 1.119 770 I CB 2.059 40.066 38.000 0.012 0.000 1.289 770 I HN 0.512 nan 8.210 nan 0.000 0.438 771 T N 6.828 121.369 114.554 -0.021 0.000 2.772 771 T HA 0.606 4.956 4.350 -0.000 0.000 0.288 771 T C -0.351 174.321 174.700 -0.047 0.000 0.994 771 T CA -0.543 61.536 62.100 -0.034 0.000 0.951 771 T CB 0.336 69.174 68.868 -0.050 0.000 0.933 771 T HN 0.349 nan 8.240 nan 0.000 0.447 772 L N 4.382 125.591 121.223 -0.022 0.000 2.453 772 L HA 0.406 4.746 4.340 -0.000 0.000 0.261 772 L C 1.410 178.276 176.870 -0.008 0.000 1.179 772 L CA -0.989 53.852 54.840 0.002 0.000 0.813 772 L CB 0.431 42.506 42.059 0.028 0.000 1.110 772 L HN 0.657 nan 8.230 nan 0.000 0.466 773 H N 0.000 119.078 119.070 0.013 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 0.012 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