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_C 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 0.000 176.156 176.300 -0.239 0.000 1.140 1 M CA 0.000 55.165 55.300 -0.225 0.000 0.988 1 M CB 0.000 32.388 32.600 -0.353 0.000 1.302 2 K N 4.584 124.857 120.400 -0.210 0.000 2.383 2 K HA 0.353 4.672 4.320 -0.000 0.000 0.286 2 K C 0.181 176.631 176.600 -0.251 0.000 1.051 2 K CA 0.228 56.398 56.287 -0.195 0.000 0.974 2 K CB 0.450 32.865 32.500 -0.141 0.000 0.968 2 K HN 0.672 nan 8.250 nan 0.000 0.475 3 I N 0.215 120.620 120.570 -0.277 0.000 3.345 3 I HA -0.089 4.081 4.170 -0.000 0.000 0.258 3 I C 0.858 176.834 176.117 -0.236 0.000 1.134 3 I CA 0.152 61.252 61.300 -0.334 0.000 1.457 3 I CB 0.035 37.705 38.000 -0.551 0.000 1.425 3 I HN 0.480 nan 8.210 nan 0.000 0.461 4 S N 0.523 116.101 115.700 -0.203 0.000 2.614 4 S HA 0.162 4.632 4.470 -0.000 0.000 0.265 4 S C -0.341 174.196 174.600 -0.105 0.000 1.303 4 S CA -0.472 57.648 58.200 -0.133 0.000 1.000 4 S CB 1.440 64.566 63.200 -0.124 0.000 0.935 4 S HN 0.229 nan 8.310 nan 0.000 0.551 5 D N 0.291 120.649 120.400 -0.069 0.000 2.438 5 D HA 0.496 5.136 4.640 -0.000 0.000 0.257 5 D C 0.830 177.111 176.300 -0.033 0.000 1.148 5 D CA 0.743 54.715 54.000 -0.047 0.000 0.902 5 D CB 0.048 40.833 40.800 -0.026 0.000 1.062 5 D HN 1.069 nan 8.370 nan 0.000 0.518 6 G N 3.793 112.557 108.800 -0.060 0.000 2.692 6 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.248 6 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.248 6 G C 0.947 175.746 174.900 -0.168 0.000 1.340 6 G CA 0.173 45.220 45.100 -0.089 0.000 0.896 6 G HN 0.542 nan 8.290 nan 0.000 0.570 7 N N -0.734 117.762 118.700 -0.341 0.000 2.166 7 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 7 N C 1.986 177.216 175.510 -0.466 0.000 1.019 7 N CA 2.646 55.348 53.050 -0.581 0.000 0.856 7 N CB -0.156 37.686 38.487 -1.076 0.000 0.993 7 N HN 0.623 nan 8.380 nan 0.000 0.426 8 W N -0.313 120.976 121.300 -0.017 0.000 2.872 8 W HA 0.387 5.047 4.660 -0.000 0.000 0.266 8 W C 0.134 176.645 176.519 -0.014 0.000 1.276 8 W CA -0.571 56.766 57.345 -0.013 0.000 1.471 8 W CB 0.423 29.875 29.460 -0.012 0.000 1.071 8 W HN -0.113 nan 8.180 nan 0.000 0.619 9 L N -0.128 121.190 121.223 0.158 0.000 2.257 9 L HA 0.612 4.952 4.340 -0.000 0.000 0.257 9 L C -0.443 176.442 176.870 0.025 0.000 1.033 9 L CA -1.349 53.546 54.840 0.091 0.000 0.835 9 L CB 1.993 44.101 42.059 0.081 0.000 1.398 9 L HN -0.331 nan 8.230 nan 0.000 0.429 10 I N 0.095 120.670 120.570 0.008 0.000 2.603 10 I HA 0.248 4.418 4.170 -0.000 0.000 0.300 10 I C -0.308 175.784 176.117 -0.042 0.000 1.017 10 I CA -0.920 60.362 61.300 -0.030 0.000 1.098 10 I CB 1.835 39.821 38.000 -0.024 0.000 1.279 10 I HN 0.492 nan 8.210 nan 0.000 0.437 11 Q N 4.174 123.930 119.800 -0.073 0.000 2.333 11 Q HA 0.079 4.419 4.340 -0.000 0.000 0.299 11 Q C -2.266 173.698 176.000 -0.060 0.000 1.067 11 Q CA -1.095 54.663 55.803 -0.074 0.000 0.943 11 Q CB -0.222 28.452 28.738 -0.107 0.000 1.233 11 Q HN 0.237 nan 8.270 nan 0.000 0.401 12 P HA 0.053 nan 4.420 nan 0.000 0.268 12 P C 0.552 177.828 177.300 -0.040 0.000 1.204 12 P CA 0.755 63.834 63.100 -0.035 0.000 0.768 12 P CB 0.478 32.161 31.700 -0.028 0.000 0.842 13 G N 1.908 110.688 108.800 -0.034 0.000 2.179 13 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.260 13 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.260 13 G C -0.158 174.715 174.900 -0.045 0.000 0.977 13 G CA -0.312 44.768 45.100 -0.033 0.000 0.641 13 G HN 0.454 nan 8.290 nan 0.000 0.533 14 L N 0.806 121.993 121.223 -0.060 0.000 2.289 14 L HA 0.491 4.831 4.340 -0.000 0.000 0.285 14 L C -0.506 176.321 176.870 -0.071 0.000 1.049 14 L CA -0.995 53.797 54.840 -0.080 0.000 0.804 14 L CB 1.263 43.253 42.059 -0.116 0.000 1.195 14 L HN 0.005 nan 8.230 nan 0.000 0.428 15 N N 4.625 123.278 118.700 -0.079 0.000 2.392 15 N HA 0.564 5.303 4.740 -0.000 0.000 0.283 15 N C -0.881 174.574 175.510 -0.092 0.000 1.003 15 N CA -0.402 52.608 53.050 -0.067 0.000 0.892 15 N CB 2.430 40.888 38.487 -0.048 0.000 1.193 15 N HN 0.422 nan 8.380 nan 0.000 0.487 16 L N 2.746 123.915 121.223 -0.090 0.000 2.329 16 L HA 0.651 4.991 4.340 -0.000 0.000 0.279 16 L C 0.132 176.859 176.870 -0.238 0.000 1.014 16 L CA -1.041 53.711 54.840 -0.147 0.000 0.814 16 L CB 1.231 43.216 42.059 -0.124 0.000 1.257 16 L HN 0.419 nan 8.230 nan 0.000 0.424 17 I N -1.306 119.128 120.570 -0.226 0.000 2.689 17 I HA 0.602 4.772 4.170 -0.000 0.000 0.299 17 I C -0.948 175.036 176.117 -0.223 0.000 1.059 17 I CA -0.703 60.486 61.300 -0.185 0.000 1.055 17 I CB 2.290 40.320 38.000 0.051 0.000 1.243 17 I HN 0.461 nan 8.210 nan 0.000 0.425 18 H N 2.538 121.701 119.070 0.155 0.000 2.806 18 H HA 0.413 4.969 4.556 -0.000 0.000 0.367 18 H C -2.741 172.431 175.328 -0.260 0.000 1.136 18 H CA -2.032 53.906 56.048 -0.184 0.000 1.178 18 H CB 2.348 31.995 29.762 -0.192 0.000 1.718 18 H HN 0.407 nan 8.280 nan 0.000 0.540 19 P HA 0.070 nan 4.420 nan 0.000 0.264 19 P C 0.421 177.075 177.300 -1.076 0.000 1.229 19 P CA 0.205 62.875 63.100 -0.718 0.000 0.780 19 P CB 0.713 31.815 31.700 -0.996 0.000 0.808 20 L N 1.827 122.690 121.223 -0.600 0.000 2.749 20 L HA 0.265 4.605 4.340 -0.000 0.000 0.242 20 L C 1.081 177.907 176.870 -0.073 0.000 1.103 20 L CA 0.399 55.025 54.840 -0.358 0.000 0.906 20 L CB 0.469 42.457 42.059 -0.118 0.000 1.228 20 L HN 0.393 nan 8.230 nan 0.000 0.517 21 Q N 0.680 120.476 119.800 -0.007 0.000 2.268 21 Q HA 0.315 4.655 4.340 -0.000 0.000 0.266 21 Q C -1.289 174.939 176.000 0.381 0.000 1.006 21 Q CA -0.367 55.583 55.803 0.246 0.000 0.824 21 Q CB 3.150 31.975 28.738 0.145 0.000 1.306 21 Q HN -0.152 nan 8.270 nan 0.000 0.424 22 V N 5.388 125.610 119.914 0.514 0.000 2.485 22 V HA -0.006 4.114 4.120 -0.000 0.000 0.287 22 V C 0.481 176.780 176.094 0.342 0.000 1.022 22 V CA 0.821 63.389 62.300 0.446 0.000 1.067 22 V CB 0.187 32.184 31.823 0.290 0.000 0.967 22 V HN 0.821 nan 8.190 nan 0.000 0.479 23 F N 3.362 123.453 119.950 0.234 0.000 2.453 23 F HA 0.379 4.906 4.527 -0.000 0.000 0.284 23 F C 0.923 176.825 175.800 0.170 0.000 1.065 23 F CA 0.600 58.704 58.000 0.174 0.000 1.411 23 F CB 0.577 39.671 39.000 0.157 0.000 1.131 23 F HN 0.537 nan 8.300 nan 0.000 0.582 24 E N 0.318 120.616 120.200 0.164 0.000 2.375 24 E HA 0.474 4.824 4.350 -0.000 0.000 0.280 24 E C -2.005 174.767 176.600 0.287 0.000 0.972 24 E CA -0.693 55.755 56.400 0.079 0.000 0.782 24 E CB 2.540 32.273 29.700 0.056 0.000 1.229 24 E HN -0.139 nan 8.360 nan 0.000 0.439 25 V N 2.713 122.730 119.914 0.172 0.000 2.588 25 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 25 V C -0.652 175.530 176.094 0.147 0.000 1.042 25 V CA -0.646 61.744 62.300 0.150 0.000 0.877 25 V CB 1.768 33.640 31.823 0.081 0.000 0.996 25 V HN 0.647 nan 8.190 nan 0.000 0.425 26 E N 3.097 123.389 120.200 0.153 0.000 2.246 26 E HA 0.369 4.719 4.350 -0.000 0.000 0.266 26 E C -0.967 175.696 176.600 0.104 0.000 0.880 26 E CA -0.606 55.880 56.400 0.143 0.000 0.762 26 E CB 2.003 31.834 29.700 0.219 0.000 1.180 26 E HN 0.750 nan 8.360 nan 0.000 0.416 27 Q N 2.962 122.816 119.800 0.090 0.000 2.304 27 Q HA 0.113 4.453 4.340 -0.000 0.000 0.260 27 Q C -0.935 175.115 176.000 0.083 0.000 0.965 27 Q CA 0.129 55.986 55.803 0.090 0.000 0.898 27 Q CB 0.825 29.611 28.738 0.080 0.000 1.196 27 Q HN 0.479 nan 8.270 nan 0.000 0.402 28 Q N 4.531 124.381 119.800 0.083 0.000 2.523 28 Q HA 0.174 4.514 4.340 -0.000 0.000 0.251 28 Q C -0.703 175.340 176.000 0.071 0.000 1.033 28 Q CA -0.573 55.270 55.803 0.066 0.000 0.746 28 Q CB 1.208 29.977 28.738 0.051 0.000 1.189 28 Q HN 0.825 nan 8.270 nan 0.000 0.508 29 D N 1.737 122.177 120.400 0.067 0.000 4.259 29 D HA -0.325 4.315 4.640 -0.000 0.000 0.150 29 D C 0.474 176.835 176.300 0.101 0.000 0.731 29 D CA 2.454 56.496 54.000 0.069 0.000 1.138 29 D CB -0.749 40.086 40.800 0.058 0.000 0.540 29 D HN 0.829 nan 8.370 nan 0.000 0.507 30 N N 1.410 120.186 118.700 0.126 0.000 2.238 30 N HA 0.210 4.950 4.740 -0.000 0.000 0.222 30 N C -0.445 175.257 175.510 0.320 0.000 1.133 30 N CA -0.152 53.016 53.050 0.196 0.000 0.854 30 N CB 0.717 39.303 38.487 0.165 0.000 1.041 30 N HN 0.317 nan 8.380 nan 0.000 0.510 31 E N 0.932 121.265 120.200 0.222 0.000 2.288 31 E HA 0.302 4.652 4.350 -0.000 0.000 0.268 31 E C -1.429 175.253 176.600 0.135 0.000 0.885 31 E CA -0.806 55.687 56.400 0.155 0.000 0.767 31 E CB 2.722 32.458 29.700 0.060 0.000 1.220 31 E HN 0.128 nan 8.360 nan 0.000 0.427 32 M N 2.806 122.461 119.600 0.092 0.000 2.294 32 M HA 0.399 4.879 4.480 -0.000 0.000 0.335 32 M C -1.700 174.681 176.300 0.134 0.000 1.079 32 M CA -0.797 54.583 55.300 0.132 0.000 0.982 32 M CB 1.278 33.978 32.600 0.167 0.000 1.651 32 M HN 0.284 nan 8.290 nan 0.000 0.437 33 V N 5.655 125.609 119.914 0.066 0.000 2.409 33 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 33 V C -0.669 175.377 176.094 -0.080 0.000 1.020 33 V CA -0.764 61.501 62.300 -0.058 0.000 0.848 33 V CB 1.677 33.400 31.823 -0.167 0.000 0.990 33 V HN 0.669 nan 8.190 nan 0.000 0.430 34 V N 5.344 125.236 119.914 -0.036 0.000 2.417 34 V HA 0.469 4.589 4.120 -0.000 0.000 0.291 34 V C -1.021 175.053 176.094 -0.033 0.000 1.024 34 V CA -0.754 61.583 62.300 0.063 0.000 0.861 34 V CB 1.482 33.467 31.823 0.271 0.000 0.985 34 V HN 0.746 nan 8.190 nan 0.000 0.436 35 Y N 2.888 123.358 120.300 0.284 0.000 2.335 35 Y HA 0.714 5.264 4.550 -0.000 0.000 0.339 35 Y C 0.461 176.570 175.900 0.347 0.000 0.987 35 Y CA -0.520 57.757 58.100 0.296 0.000 1.140 35 Y CB 1.669 40.316 38.460 0.311 0.000 1.173 35 Y HN 0.697 nan 8.280 nan 0.000 0.486 36 A N 2.428 125.508 122.820 0.432 0.000 2.335 36 A HA 0.854 5.174 4.320 -0.000 0.000 0.304 36 A C -0.656 177.068 177.584 0.233 0.000 1.118 36 A CA -0.631 51.599 52.037 0.323 0.000 0.757 36 A CB 0.460 19.558 19.000 0.164 0.000 1.188 36 A HN 0.810 nan 8.150 nan 0.000 0.460 37 A N 3.479 126.403 122.820 0.173 0.000 2.286 37 A HA 0.796 5.116 4.320 -0.000 0.000 0.286 37 A C -1.899 175.725 177.584 0.065 0.000 1.097 37 A CA -1.651 50.444 52.037 0.097 0.000 0.821 37 A CB 0.354 19.390 19.000 0.061 0.000 1.076 37 A HN 0.533 nan 8.150 nan 0.000 0.490 38 P HA 0.114 nan 4.420 nan 0.000 0.255 38 P C -0.215 177.086 177.300 0.002 0.000 1.301 38 P CA 0.377 63.514 63.100 0.061 0.000 0.817 38 P CB -0.152 31.599 31.700 0.085 0.000 1.259 39 R N -2.756 117.730 120.500 -0.022 0.000 2.756 39 R HA 0.423 4.763 4.340 -0.000 0.000 0.273 39 R C -1.525 174.735 176.300 -0.067 0.000 1.030 39 R CA -0.884 55.171 56.100 -0.074 0.000 0.887 39 R CB -0.467 29.757 30.300 -0.126 0.000 1.274 39 R HN -0.370 nan 8.270 nan 0.000 0.461 40 D N 1.153 121.471 120.400 -0.137 0.000 2.382 40 D HA 0.153 4.793 4.640 -0.000 0.000 0.259 40 D C 0.358 176.625 176.300 -0.055 0.000 1.224 40 D CA -0.049 53.889 54.000 -0.103 0.000 0.894 40 D CB 1.484 42.182 40.800 -0.170 0.000 1.127 40 D HN 0.511 nan 8.370 nan 0.000 0.487 41 V N 1.830 121.797 119.914 0.088 0.000 2.909 41 V HA 0.337 4.456 4.120 -0.000 0.000 0.362 41 V C 1.539 177.786 176.094 0.256 0.000 1.356 41 V CA -0.485 61.932 62.300 0.194 0.000 1.195 41 V CB -0.019 31.886 31.823 0.136 0.000 1.256 41 V HN 0.363 nan 8.190 nan 0.000 0.567 42 R N 0.419 121.038 120.500 0.198 0.000 2.120 42 R HA 0.067 4.407 4.340 -0.000 0.000 0.234 42 R C 0.470 176.885 176.300 0.192 0.000 1.123 42 R CA 1.054 57.261 56.100 0.179 0.000 0.975 42 R CB 0.177 30.544 30.300 0.112 0.000 0.866 42 R HN 0.534 nan 8.270 nan 0.000 0.446 43 E N 0.202 120.546 120.200 0.241 0.000 2.204 43 E HA 0.130 4.480 4.350 -0.000 0.000 0.276 43 E C 0.710 177.415 176.600 0.175 0.000 0.974 43 E CA -0.264 56.261 56.400 0.207 0.000 0.815 43 E CB 1.170 31.018 29.700 0.247 0.000 1.119 43 E HN 0.070 nan 8.360 nan 0.000 0.393 44 R N 0.580 121.133 120.500 0.088 0.000 2.120 44 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 44 R C 1.875 178.147 176.300 -0.048 0.000 1.123 44 R CA 1.399 57.523 56.100 0.040 0.000 0.975 44 R CB -0.407 29.907 30.300 0.023 0.000 0.866 44 R HN 0.498 nan 8.270 nan 0.000 0.446 45 T N -0.436 114.031 114.554 -0.146 0.000 2.822 45 T HA -0.165 4.185 4.350 -0.000 0.000 0.270 45 T C 1.030 175.404 174.700 -0.544 0.000 1.064 45 T CA 1.216 63.082 62.100 -0.389 0.000 1.131 45 T CB -0.134 68.413 68.868 -0.536 0.000 0.858 45 T HN 0.516 nan 8.240 nan 0.000 0.483 46 W N 0.763 122.061 121.300 -0.004 0.000 3.278 46 W HA 0.369 5.029 4.660 -0.000 0.000 0.308 46 W C 1.664 178.157 176.519 -0.044 0.000 1.253 46 W CA -0.708 56.628 57.345 -0.015 0.000 1.759 46 W CB 0.291 29.750 29.460 -0.001 0.000 1.093 46 W HN 0.209 nan 8.180 nan 0.000 0.648 47 Q N 1.587 121.440 119.800 0.087 0.000 2.292 47 Q HA 0.200 4.540 4.340 -0.000 0.000 0.247 47 Q C -0.348 175.612 176.000 -0.066 0.000 0.911 47 Q CA 0.239 56.025 55.803 -0.028 0.000 0.948 47 Q CB -0.546 28.174 28.738 -0.029 0.000 1.093 47 Q HN 0.319 nan 8.270 nan 0.000 0.428 48 L N -6.086 115.123 121.223 -0.024 0.000 2.869 48 L HA 0.500 4.840 4.340 -0.000 0.000 0.265 48 L C -1.137 175.737 176.870 0.006 0.000 1.011 48 L CA -1.220 53.599 54.840 -0.035 0.000 0.913 48 L CB 1.208 43.237 42.059 -0.051 0.000 1.490 48 L HN -0.218 nan 8.230 nan 0.000 0.410 49 D N -0.008 120.391 120.400 -0.001 0.000 2.689 49 D HA -0.145 4.495 4.640 -0.000 0.000 0.237 49 D C -0.282 176.047 176.300 0.047 0.000 1.148 49 D CA 1.780 55.795 54.000 0.025 0.000 0.656 49 D CB -0.694 40.127 40.800 0.035 0.000 1.050 49 D HN 0.988 nan 8.370 nan 0.000 0.426 50 T N -1.006 113.558 114.554 0.017 0.000 2.923 50 T HA 0.535 4.885 4.350 -0.000 0.000 0.311 50 T C -2.574 172.109 174.700 -0.029 0.000 1.183 50 T CA -1.325 60.780 62.100 0.008 0.000 1.020 50 T CB 1.690 70.567 68.868 0.014 0.000 1.165 50 T HN -0.239 nan 8.240 nan 0.000 0.482 51 P HA 0.465 nan 4.420 nan 0.000 0.270 51 P C -1.217 175.981 177.300 -0.171 0.000 1.223 51 P CA -0.668 62.361 63.100 -0.119 0.000 0.785 51 P CB 0.438 32.021 31.700 -0.196 0.000 0.923 52 L N 1.670 122.757 121.223 -0.228 0.000 2.464 52 L HA 0.441 4.781 4.340 -0.000 0.000 0.266 52 L C -1.175 175.566 176.870 -0.216 0.000 0.965 52 L CA -0.754 53.998 54.840 -0.147 0.000 0.833 52 L CB 1.300 43.333 42.059 -0.045 0.000 1.296 52 L HN 0.299 nan 8.230 nan 0.000 0.405 53 F N 1.479 121.472 119.950 0.072 0.000 2.394 53 F HA 0.373 4.900 4.527 -0.000 0.000 0.340 53 F C 0.636 176.504 175.800 0.113 0.000 1.105 53 F CA -0.216 57.824 58.000 0.066 0.000 1.124 53 F CB 1.953 40.956 39.000 0.006 0.000 1.145 53 F HN 0.286 nan 8.300 nan 0.000 0.505 54 T N 5.235 119.947 114.554 0.263 0.000 2.772 54 T HA 0.569 4.919 4.350 -0.000 0.000 0.288 54 T C -0.667 174.065 174.700 0.053 0.000 0.994 54 T CA -0.520 61.647 62.100 0.111 0.000 0.951 54 T CB 0.590 69.514 68.868 0.094 0.000 0.933 54 T HN 0.141 nan 8.240 nan 0.000 0.447 55 L N 3.402 124.617 121.223 -0.015 0.000 2.313 55 L HA 0.595 4.935 4.340 -0.000 0.000 0.283 55 L C 0.258 177.001 176.870 -0.213 0.000 1.013 55 L CA -0.523 54.251 54.840 -0.109 0.000 0.816 55 L CB 1.500 43.560 42.059 0.002 0.000 1.236 55 L HN 0.467 nan 8.230 nan 0.000 0.419 56 R N 2.853 123.157 120.500 -0.327 0.000 2.437 56 R HA 0.617 4.957 4.340 -0.000 0.000 0.310 56 R C -1.590 174.465 176.300 -0.408 0.000 0.955 56 R CA -0.453 55.504 56.100 -0.238 0.000 0.851 56 R CB 0.855 31.063 30.300 -0.154 0.000 1.161 56 R HN 0.373 nan 8.270 nan 0.000 0.446 57 F N 5.914 125.753 119.950 -0.185 0.000 2.436 57 F HA 0.514 5.041 4.527 -0.000 0.000 0.340 57 F C -0.282 175.078 175.800 -0.734 0.000 1.113 57 F CA -0.519 57.196 58.000 -0.475 0.000 1.022 57 F CB 1.305 39.935 39.000 -0.617 0.000 1.128 57 F HN 0.454 nan 8.300 nan 0.000 0.466 58 F N -0.284 119.253 119.950 -0.687 0.000 2.686 58 F HA 0.723 5.250 4.527 -0.000 0.000 0.311 58 F C -1.099 174.752 175.800 0.085 0.000 1.128 58 F CA -1.407 56.380 58.000 -0.355 0.000 0.946 58 F CB 1.555 40.479 39.000 -0.126 0.000 1.336 58 F HN 0.213 nan 8.300 nan 0.000 0.457 59 S N 1.937 117.887 115.700 0.416 0.000 2.659 59 S HA 0.516 4.986 4.470 -0.000 0.000 0.312 59 S C -2.055 172.668 174.600 0.205 0.000 1.114 59 S CA -1.478 56.873 58.200 0.253 0.000 1.063 59 S CB 1.437 64.811 63.200 0.289 0.000 0.996 59 S HN 0.597 nan 8.310 nan 0.000 0.478 60 P HA 0.110 nan 4.420 nan 0.000 0.230 60 P C -0.462 176.807 177.300 -0.052 0.000 1.168 60 P CA 0.624 63.760 63.100 0.060 0.000 0.793 60 P CB 0.325 31.989 31.700 -0.060 0.000 0.851 61 Q N -0.751 118.960 119.800 -0.148 0.000 2.472 61 Q HA 0.162 4.502 4.340 -0.000 0.000 0.281 61 Q C -0.560 175.372 176.000 -0.114 0.000 0.997 61 Q CA -0.627 55.094 55.803 -0.137 0.000 0.828 61 Q CB 1.765 30.372 28.738 -0.218 0.000 1.443 61 Q HN 0.027 nan 8.270 nan 0.000 0.390 62 E N 0.246 120.401 120.200 -0.075 0.000 2.502 62 E HA 0.073 4.422 4.350 -0.000 0.000 0.261 62 E C 0.652 177.209 176.600 -0.072 0.000 0.974 62 E CA 1.758 58.120 56.400 -0.063 0.000 0.936 62 E CB 0.289 29.958 29.700 -0.052 0.000 0.926 62 E HN 0.815 nan 8.360 nan 0.000 0.459 63 G N 4.199 112.965 108.800 -0.056 0.000 2.168 63 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.263 63 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.263 63 G C 0.333 175.205 174.900 -0.047 0.000 0.977 63 G CA 0.482 45.557 45.100 -0.042 0.000 0.659 63 G HN 0.524 nan 8.290 nan 0.000 0.533 64 I N 0.531 121.051 120.570 -0.084 0.000 2.389 64 I HA 0.521 4.691 4.170 -0.000 0.000 0.288 64 I C -0.030 176.076 176.117 -0.018 0.000 0.999 64 I CA -1.074 60.160 61.300 -0.109 0.000 1.129 64 I CB 2.026 39.810 38.000 -0.360 0.000 1.288 64 I HN -0.033 nan 8.210 nan 0.000 0.444 65 V N 6.459 126.403 119.914 0.050 0.000 2.370 65 V HA 0.695 4.815 4.120 -0.000 0.000 0.283 65 V C 0.380 176.407 176.094 -0.112 0.000 1.023 65 V CA -0.093 62.261 62.300 0.089 0.000 0.857 65 V CB 1.286 33.289 31.823 0.300 0.000 0.985 65 V HN 0.838 nan 8.190 nan 0.000 0.443 66 G N 5.469 113.959 108.800 -0.518 0.000 2.372 66 G HA2 0.551 4.511 3.960 -0.000 0.000 0.283 66 G HA3 0.551 4.511 3.960 -0.000 0.000 0.283 66 G C -0.961 173.349 174.900 -0.984 0.000 1.177 66 G CA -0.351 44.018 45.100 -1.218 0.000 0.842 66 G HN 0.925 nan 8.290 nan 0.000 0.503 67 V N 2.814 122.185 119.914 -0.905 0.000 2.483 67 V HA 0.500 4.620 4.120 -0.000 0.000 0.297 67 V C 0.072 175.833 176.094 -0.555 0.000 1.027 67 V CA -0.881 60.924 62.300 -0.824 0.000 0.855 67 V CB 1.566 32.777 31.823 -1.020 0.000 0.995 67 V HN 0.805 nan 8.190 nan 0.000 0.424 68 R N 5.136 125.438 120.500 -0.330 0.000 2.337 68 R HA 0.647 4.987 4.340 -0.000 0.000 0.319 68 R C -1.324 174.928 176.300 -0.079 0.000 0.954 68 R CA -0.535 55.514 56.100 -0.086 0.000 0.840 68 R CB 1.099 31.386 30.300 -0.020 0.000 1.164 68 R HN 0.729 nan 8.270 nan 0.000 0.472 69 I N 4.073 124.677 120.570 0.056 0.000 2.328 69 I HA 0.277 4.447 4.170 -0.000 0.000 0.287 69 I C -0.268 175.991 176.117 0.237 0.000 1.012 69 I CA -0.422 60.942 61.300 0.106 0.000 1.195 69 I CB 1.680 39.726 38.000 0.078 0.000 1.350 69 I HN 0.480 nan 8.210 nan 0.000 0.464 70 E N 4.374 124.720 120.200 0.243 0.000 2.212 70 E HA 0.321 4.671 4.350 -0.000 0.000 0.268 70 E C -0.122 176.631 176.600 0.253 0.000 0.902 70 E CA -0.576 55.980 56.400 0.260 0.000 0.779 70 E CB 2.698 32.491 29.700 0.155 0.000 1.172 70 E HN 0.557 nan 8.360 nan 0.000 0.409 71 H N 2.861 121.945 119.070 0.023 0.000 2.560 71 H HA 0.211 4.767 4.556 -0.000 0.000 0.324 71 H C -0.273 175.015 175.328 -0.067 0.000 1.329 71 H CA 0.073 55.940 56.048 -0.300 0.000 2.007 71 H CB 0.308 29.582 29.762 -0.814 0.000 1.551 71 H HN 0.321 nan 8.280 nan 0.000 0.623 72 F N 2.143 121.868 119.950 -0.374 0.000 2.411 72 F HA 0.204 4.731 4.527 -0.000 0.000 0.350 72 F C 1.392 177.143 175.800 -0.082 0.000 1.114 72 F CA -0.351 57.474 58.000 -0.291 0.000 1.135 72 F CB 1.425 40.275 39.000 -0.250 0.000 1.120 72 F HN 0.414 nan 8.300 nan 0.000 0.495 73 Q N 1.907 121.773 119.800 0.109 0.000 2.432 73 Q HA 0.060 4.400 4.340 -0.000 0.000 0.205 73 Q C 1.884 177.902 176.000 0.030 0.000 0.945 73 Q CA 0.589 56.421 55.803 0.048 0.000 0.924 73 Q CB 0.204 28.943 28.738 0.001 0.000 1.016 73 Q HN 0.990 nan 8.270 nan 0.000 0.503 74 G N 0.485 109.293 108.800 0.013 0.000 3.026 74 G HA2 0.247 4.207 3.960 -0.000 0.000 0.208 74 G HA3 0.247 4.207 3.960 -0.000 0.000 0.208 74 G C 0.371 175.292 174.900 0.034 0.000 1.169 74 G CA 0.202 45.293 45.100 -0.015 0.000 0.788 74 G HN 0.301 nan 8.290 nan 0.000 0.533 75 A N -0.193 122.684 122.820 0.095 0.000 2.425 75 A HA 0.494 4.814 4.320 -0.000 0.000 0.242 75 A C 1.522 179.163 177.584 0.094 0.000 1.077 75 A CA -0.443 51.665 52.037 0.119 0.000 0.781 75 A CB 0.468 19.575 19.000 0.179 0.000 1.020 75 A HN 0.204 nan 8.150 nan 0.000 0.494 76 L N 0.874 122.151 121.223 0.089 0.000 2.042 76 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 76 L C 0.744 177.674 176.870 0.100 0.000 1.076 76 L CA 1.535 56.422 54.840 0.078 0.000 0.749 76 L CB -0.855 41.247 42.059 0.071 0.000 0.893 76 L HN 0.921 nan 8.230 nan 0.000 0.432 77 N N 0.831 119.617 118.700 0.143 0.000 2.689 77 N HA -0.185 4.555 4.740 -0.000 0.000 0.263 77 N C -0.534 175.088 175.510 0.186 0.000 0.987 77 N CA -0.175 52.996 53.050 0.201 0.000 0.782 77 N CB -1.127 37.486 38.487 0.210 0.000 0.903 77 N HN 0.404 nan 8.380 nan 0.000 0.547 78 N N 0.295 119.066 118.700 0.118 0.000 2.399 78 N HA 0.192 4.932 4.740 -0.000 0.000 0.250 78 N C 1.202 176.652 175.510 -0.100 0.000 1.272 78 N CA 0.444 53.524 53.050 0.051 0.000 0.928 78 N CB 0.461 38.966 38.487 0.031 0.000 1.158 78 N HN 0.357 nan 8.380 nan 0.000 0.463 79 G N 0.274 108.909 108.800 -0.275 0.000 2.553 79 G HA2 0.262 4.222 3.960 -0.000 0.000 0.278 79 G HA3 0.262 4.222 3.960 -0.000 0.000 0.278 79 G C -2.328 172.345 174.900 -0.377 0.000 1.349 79 G CA -0.561 44.130 45.100 -0.683 0.000 1.037 79 G HN 0.354 nan 8.290 nan 0.000 0.508 80 P HA 0.237 nan 4.420 nan 0.000 0.276 80 P C -0.895 175.971 177.300 -0.724 0.000 1.252 80 P CA -0.095 62.692 63.100 -0.523 0.000 0.802 80 P CB 1.074 32.526 31.700 -0.414 0.000 1.035 81 H N -0.870 118.001 119.070 -0.333 0.000 2.771 81 H HA 0.312 4.868 4.556 -0.000 0.000 0.367 81 H C -0.033 175.090 175.328 -0.341 0.000 1.172 81 H CA -0.328 55.535 56.048 -0.309 0.000 1.186 81 H CB 0.325 30.000 29.762 -0.145 0.000 1.790 81 H HN 0.334 nan 8.280 nan 0.000 0.556 82 Y N 1.742 121.965 120.300 -0.129 0.000 2.480 82 Y HA 0.050 4.600 4.550 -0.000 0.000 0.338 82 Y C -1.434 174.319 175.900 -0.245 0.000 1.220 82 Y CA -2.081 55.886 58.100 -0.222 0.000 1.430 82 Y CB -0.001 38.367 38.460 -0.155 0.000 1.311 82 Y HN 0.325 nan 8.280 nan 0.000 0.575 83 P HA 0.072 nan 4.420 nan 0.000 0.230 83 P C -0.820 176.328 177.300 -0.253 0.000 1.791 83 P CA -0.065 62.914 63.100 -0.202 0.000 1.020 83 P CB -0.264 31.255 31.700 -0.302 0.000 1.977 84 L N 2.186 123.261 121.223 -0.247 0.000 2.397 84 L HA 0.202 4.542 4.340 -0.000 0.000 0.271 84 L C 0.977 177.724 176.870 -0.204 0.000 1.148 84 L CA 0.325 54.921 54.840 -0.407 0.000 0.825 84 L CB -0.268 41.554 42.059 -0.395 0.000 1.117 84 L HN 0.120 nan 8.230 nan 0.000 0.456 85 N N 4.481 123.070 118.700 -0.185 0.000 2.469 85 N HA 0.321 5.061 4.740 -0.000 0.000 0.239 85 N C -0.627 174.952 175.510 0.114 0.000 1.053 85 N CA -0.000 53.036 53.050 -0.023 0.000 0.937 85 N CB 0.859 39.325 38.487 -0.035 0.000 1.163 85 N HN 0.421 nan 8.380 nan 0.000 0.509 86 I N 3.582 124.210 120.570 0.096 0.000 2.382 86 I HA 0.275 4.445 4.170 -0.000 0.000 0.285 86 I C 0.169 176.342 176.117 0.094 0.000 1.007 86 I CA -0.601 60.786 61.300 0.146 0.000 1.142 86 I CB 1.251 39.351 38.000 0.166 0.000 1.289 86 I HN 0.129 nan 8.210 nan 0.000 0.453 87 L N 5.805 127.079 121.223 0.085 0.000 2.418 87 L HA 0.275 4.615 4.340 -0.000 0.000 0.265 87 L C 1.086 178.004 176.870 0.081 0.000 1.143 87 L CA -0.482 54.395 54.840 0.062 0.000 0.809 87 L CB 0.802 42.886 42.059 0.041 0.000 1.124 87 L HN 0.597 nan 8.230 nan 0.000 0.456 88 Q N 1.041 120.878 119.800 0.062 0.000 2.391 88 Q HA -0.011 4.329 4.340 -0.000 0.000 0.211 88 Q C 0.299 176.338 176.000 0.065 0.000 0.908 88 Q CA 0.493 56.335 55.803 0.066 0.000 0.920 88 Q CB 0.331 29.096 28.738 0.044 0.000 1.056 88 Q HN 0.757 nan 8.270 nan 0.000 0.523 89 D N -0.478 119.952 120.400 0.050 0.000 2.559 89 D HA 0.074 4.714 4.640 -0.000 0.000 0.234 89 D C 0.061 176.382 176.300 0.035 0.000 1.226 89 D CA -0.399 53.625 54.000 0.040 0.000 0.830 89 D CB -0.036 40.780 40.800 0.026 0.000 1.028 89 D HN -0.249 nan 8.370 nan 0.000 0.492 90 V N 0.908 120.851 119.914 0.048 0.000 2.655 90 V HA -0.017 4.103 4.120 -0.000 0.000 0.300 90 V C 1.003 177.110 176.094 0.021 0.000 1.044 90 V CA -0.351 61.968 62.300 0.032 0.000 1.095 90 V CB 0.773 32.625 31.823 0.048 0.000 0.952 90 V HN 0.163 nan 8.190 nan 0.000 0.485 91 K N 4.462 124.856 120.400 -0.009 0.000 2.363 91 K HA 0.370 4.690 4.320 -0.000 0.000 0.289 91 K C -0.511 176.045 176.600 -0.075 0.000 1.063 91 K CA -0.156 56.112 56.287 -0.031 0.000 0.967 91 K CB 0.476 32.954 32.500 -0.036 0.000 0.987 91 K HN 0.672 nan 8.250 nan 0.000 0.473 92 V N 0.352 120.209 119.914 -0.095 0.000 3.102 92 V HA 0.609 4.728 4.120 -0.000 0.000 0.312 92 V C -0.566 175.410 176.094 -0.196 0.000 1.135 92 V CA -0.797 61.368 62.300 -0.226 0.000 1.022 92 V CB 2.071 33.703 31.823 -0.318 0.000 1.056 92 V HN 0.575 nan 8.190 nan 0.000 0.436 93 T N 2.913 117.291 114.554 -0.293 0.000 2.841 93 T HA 0.724 5.073 4.350 -0.000 0.000 0.285 93 T C -0.741 173.834 174.700 -0.208 0.000 0.991 93 T CA -0.032 61.953 62.100 -0.191 0.000 0.966 93 T CB 0.932 69.703 68.868 -0.161 0.000 0.962 93 T HN 0.645 nan 8.240 nan 0.000 0.438 94 I N 3.723 124.248 120.570 -0.074 0.000 2.378 94 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 94 I C 0.099 176.213 176.117 -0.005 0.000 0.992 94 I CA -0.542 60.761 61.300 0.005 0.000 1.154 94 I CB 1.485 39.552 38.000 0.112 0.000 1.315 94 I HN 0.595 nan 8.210 nan 0.000 0.448 95 E N 5.897 126.089 120.200 -0.013 0.000 2.255 95 E HA 0.315 4.665 4.350 -0.000 0.000 0.256 95 E C -1.447 175.156 176.600 0.004 0.000 0.887 95 E CA -0.812 55.583 56.400 -0.008 0.000 0.782 95 E CB 1.465 31.153 29.700 -0.021 0.000 1.214 95 E HN 0.450 nan 8.360 nan 0.000 0.417 96 N N 3.599 122.306 118.700 0.012 0.000 2.546 96 N HA 0.185 4.925 4.740 -0.000 0.000 0.238 96 N C -1.067 174.447 175.510 0.008 0.000 0.984 96 N CA -0.067 52.992 53.050 0.014 0.000 0.935 96 N CB 1.349 39.849 38.487 0.021 0.000 1.122 96 N HN 0.675 nan 8.380 nan 0.000 0.510 97 T N -0.238 114.321 114.554 0.008 0.000 2.905 97 T HA 0.370 4.720 4.350 -0.000 0.000 0.283 97 T C 0.970 175.647 174.700 -0.039 0.000 1.031 97 T CA -0.456 61.637 62.100 -0.012 0.000 1.002 97 T CB 1.211 70.076 68.868 -0.005 0.000 1.200 97 T HN 0.212 nan 8.240 nan 0.000 0.560 98 E N -0.410 119.753 120.200 -0.061 0.000 2.150 98 E HA 0.003 4.353 4.350 -0.000 0.000 0.193 98 E C 2.188 178.714 176.600 -0.123 0.000 0.985 98 E CA 1.028 57.383 56.400 -0.074 0.000 0.814 98 E CB 0.013 29.673 29.700 -0.066 0.000 0.752 98 E HN 0.617 nan 8.360 nan 0.000 0.466 99 R N -1.760 118.614 120.500 -0.210 0.000 2.146 99 R HA 0.127 4.467 4.340 -0.000 0.000 0.206 99 R C -0.222 175.780 176.300 -0.497 0.000 1.049 99 R CA 0.419 56.259 56.100 -0.433 0.000 1.029 99 R CB 0.411 30.308 30.300 -0.671 0.000 0.949 99 R HN 0.102 nan 8.270 nan 0.000 0.471 100 Y N -1.329 118.928 120.300 -0.072 0.000 2.581 100 Y HA 0.610 5.160 4.550 -0.000 0.000 0.345 100 Y C -0.839 174.995 175.900 -0.110 0.000 1.036 100 Y CA -1.562 56.472 58.100 -0.110 0.000 1.042 100 Y CB 2.204 40.592 38.460 -0.120 0.000 1.289 100 Y HN -0.063 nan 8.280 nan 0.000 0.471 101 A N 1.779 124.623 122.820 0.041 0.000 2.318 101 A HA 0.658 4.978 4.320 -0.000 0.000 0.317 101 A C -1.214 176.277 177.584 -0.155 0.000 1.159 101 A CA -0.543 51.464 52.037 -0.050 0.000 0.799 101 A CB 1.278 20.233 19.000 -0.075 0.000 1.194 101 A HN 0.753 nan 8.150 nan 0.000 0.479 102 E N 2.050 122.176 120.200 -0.123 0.000 2.263 102 E HA 0.524 4.874 4.350 -0.000 0.000 0.268 102 E C -2.053 174.498 176.600 -0.081 0.000 0.884 102 E CA -0.452 55.846 56.400 -0.171 0.000 0.766 102 E CB 1.360 30.954 29.700 -0.176 0.000 1.196 102 E HN 0.547 nan 8.360 nan 0.000 0.416 103 F N 4.184 123.981 119.950 -0.255 0.000 2.444 103 F HA 0.503 5.030 4.527 -0.000 0.000 0.342 103 F C -0.910 174.827 175.800 -0.105 0.000 1.121 103 F CA -0.551 57.360 58.000 -0.148 0.000 0.997 103 F CB 1.094 40.011 39.000 -0.138 0.000 1.130 103 F HN 0.289 nan 8.300 nan 0.000 0.454 104 K N 4.098 124.107 120.400 -0.651 0.000 2.397 104 K HA 0.525 4.845 4.320 -0.000 0.000 0.253 104 K C -1.507 174.784 176.600 -0.514 0.000 0.932 104 K CA -0.635 55.397 56.287 -0.425 0.000 0.795 104 K CB 1.723 34.072 32.500 -0.253 0.000 1.159 104 K HN 0.583 nan 8.250 nan 0.000 0.424 105 S N 3.197 118.729 115.700 -0.281 0.000 2.707 105 S HA 0.618 5.088 4.470 -0.000 0.000 0.312 105 S C 0.268 174.808 174.600 -0.101 0.000 1.116 105 S CA 0.493 58.585 58.200 -0.181 0.000 1.078 105 S CB 0.652 63.806 63.200 -0.076 0.000 0.997 105 S HN 1.058 nan 8.310 nan 0.000 0.477 106 G N 5.354 114.096 108.800 -0.096 0.000 2.561 106 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.289 106 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.289 106 G C 0.532 175.393 174.900 -0.065 0.000 1.169 106 G CA 0.598 45.657 45.100 -0.068 0.000 0.980 106 G HN 0.742 nan 8.290 nan 0.000 0.550 107 N N -0.087 118.585 118.700 -0.046 0.000 2.353 107 N HA 0.290 5.030 4.740 -0.000 0.000 0.185 107 N C 0.393 175.884 175.510 -0.032 0.000 1.098 107 N CA -0.154 52.872 53.050 -0.040 0.000 0.872 107 N CB 0.352 38.824 38.487 -0.026 0.000 0.970 107 N HN 0.370 nan 8.380 nan 0.000 0.467 108 L N 1.166 122.374 121.223 -0.025 0.000 2.295 108 L HA 0.389 4.729 4.340 -0.000 0.000 0.285 108 L C -0.186 176.688 176.870 0.006 0.000 1.035 108 L CA -0.361 54.483 54.840 0.008 0.000 0.806 108 L CB 1.263 43.343 42.059 0.034 0.000 1.214 108 L HN -0.091 nan 8.230 nan 0.000 0.426 109 S N 3.694 119.408 115.700 0.024 0.000 2.595 109 S HA 0.960 5.430 4.470 -0.000 0.000 0.281 109 S C -0.853 173.775 174.600 0.047 0.000 1.117 109 S CA -0.404 57.798 58.200 0.004 0.000 0.873 109 S CB 1.696 64.837 63.200 -0.099 0.000 1.108 109 S HN 1.024 nan 8.310 nan 0.000 0.477 110 A N 1.695 124.508 122.820 -0.011 0.000 2.303 110 A HA 0.804 5.124 4.320 -0.000 0.000 0.320 110 A C -0.217 177.092 177.584 -0.458 0.000 1.192 110 A CA -0.787 51.075 52.037 -0.291 0.000 0.821 110 A CB 0.840 19.741 19.000 -0.165 0.000 1.188 110 A HN 0.843 nan 8.150 nan 0.000 0.492 111 R N 2.646 122.830 120.500 -0.526 0.000 2.476 111 R HA 0.581 4.921 4.340 -0.000 0.000 0.305 111 R C -1.734 174.260 176.300 -0.511 0.000 0.965 111 R CA -0.351 55.450 56.100 -0.498 0.000 0.867 111 R CB 1.646 31.634 30.300 -0.519 0.000 1.176 111 R HN 0.501 nan 8.270 nan 0.000 0.447 112 V N 3.098 122.733 119.914 -0.464 0.000 2.394 112 V HA 0.279 4.399 4.120 -0.000 0.000 0.282 112 V C 0.011 175.949 176.094 -0.259 0.000 1.031 112 V CA -0.646 61.354 62.300 -0.500 0.000 0.881 112 V CB 1.720 33.227 31.823 -0.527 0.000 0.982 112 V HN 0.759 nan 8.190 nan 0.000 0.451 113 S N 5.201 120.738 115.700 -0.271 0.000 2.474 113 S HA 0.323 4.793 4.470 -0.000 0.000 0.276 113 S C 0.167 174.727 174.600 -0.067 0.000 1.227 113 S CA -0.646 57.543 58.200 -0.018 0.000 1.050 113 S CB 0.319 63.538 63.200 0.032 0.000 0.939 113 S HN 0.630 nan 8.310 nan 0.000 0.490 114 K N 1.843 122.231 120.400 -0.020 0.000 2.120 114 K HA 0.576 4.895 4.320 -0.000 0.000 0.245 114 K C 1.017 177.637 176.600 0.033 0.000 1.024 114 K CA -0.071 56.225 56.287 0.015 0.000 0.906 114 K CB 0.346 32.837 32.500 -0.014 0.000 1.051 114 K HN 0.846 nan 8.250 nan 0.000 0.491 115 G N 0.831 109.662 108.800 0.052 0.000 2.568 115 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.222 115 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.222 115 G C 0.640 175.533 174.900 -0.012 0.000 1.321 115 G CA 0.313 45.425 45.100 0.020 0.000 0.893 115 G HN 0.772 nan 8.290 nan 0.000 0.569 116 E N -0.752 119.358 120.200 -0.150 0.000 2.153 116 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 116 E C 0.376 176.622 176.600 -0.591 0.000 0.988 116 E CA 1.005 57.137 56.400 -0.447 0.000 0.811 116 E CB -0.092 29.159 29.700 -0.748 0.000 0.746 116 E HN 0.330 nan 8.360 nan 0.000 0.466 117 F N 0.985 120.989 119.950 0.090 0.000 2.310 117 F HA 0.207 4.734 4.527 -0.000 0.000 0.365 117 F C -0.058 175.826 175.800 0.140 0.000 1.080 117 F CA -1.033 57.029 58.000 0.103 0.000 1.187 117 F CB 0.263 39.297 39.000 0.057 0.000 1.465 117 F HN 0.066 nan 8.300 nan 0.000 0.496 118 W N 3.146 124.513 121.300 0.111 0.000 2.231 118 W HA 0.329 4.989 4.660 -0.000 0.000 0.341 118 W C -0.578 175.989 176.519 0.080 0.000 1.298 118 W CA 0.651 58.043 57.345 0.079 0.000 1.266 118 W CB 1.195 30.681 29.460 0.043 0.000 1.172 118 W HN 0.416 nan 8.180 nan 0.000 0.568 119 S N 6.679 122.056 115.700 -0.539 0.000 2.562 119 S HA 0.440 4.910 4.470 -0.000 0.000 0.274 119 S C -1.654 172.546 174.600 -0.666 0.000 1.160 119 S CA -0.820 57.158 58.200 -0.371 0.000 0.933 119 S CB 0.868 63.981 63.200 -0.145 0.000 1.100 119 S HN 0.515 nan 8.310 nan 0.000 0.468 120 L N 4.365 125.349 121.223 -0.398 0.000 2.298 120 L HA 0.627 4.967 4.340 -0.000 0.000 0.284 120 L C -1.320 175.333 176.870 -0.362 0.000 1.013 120 L CA -0.356 54.254 54.840 -0.383 0.000 0.824 120 L CB 0.992 42.969 42.059 -0.138 0.000 1.221 120 L HN 0.691 nan 8.230 nan 0.000 0.418 121 D N 4.606 124.708 120.400 -0.497 0.000 2.481 121 D HA 0.378 5.018 4.640 -0.000 0.000 0.244 121 D C -1.160 174.781 176.300 -0.598 0.000 1.057 121 D CA -0.127 53.636 54.000 -0.395 0.000 0.848 121 D CB 2.375 42.999 40.800 -0.293 0.000 1.388 121 D HN 0.167 nan 8.370 nan 0.000 0.475 122 F N 1.556 121.449 119.950 -0.095 0.000 2.427 122 F HA 0.365 4.892 4.527 -0.000 0.000 0.346 122 F C -0.115 175.608 175.800 -0.129 0.000 1.120 122 F CA -0.783 57.156 58.000 -0.101 0.000 1.033 122 F CB 1.151 40.092 39.000 -0.100 0.000 1.126 122 F HN -0.042 nan 8.300 nan 0.000 0.462 123 L N 3.090 124.331 121.223 0.030 0.000 2.362 123 L HA 0.555 4.895 4.340 -0.000 0.000 0.271 123 L C -0.347 176.515 176.870 -0.014 0.000 1.002 123 L CA -0.942 53.878 54.840 -0.032 0.000 0.818 123 L CB 1.902 43.903 42.059 -0.097 0.000 1.298 123 L HN 0.611 nan 8.230 nan 0.000 0.420 124 R N 1.986 122.476 120.500 -0.018 0.000 2.310 124 R HA 0.348 4.688 4.340 -0.000 0.000 0.324 124 R C -0.159 176.126 176.300 -0.024 0.000 0.955 124 R CA -0.299 55.794 56.100 -0.012 0.000 0.830 124 R CB 0.178 30.480 30.300 0.004 0.000 1.154 124 R HN 0.733 nan 8.270 nan 0.000 0.458 125 N N 3.496 122.176 118.700 -0.033 0.000 2.698 125 N HA -0.258 4.482 4.740 -0.000 0.000 0.258 125 N C 0.496 175.978 175.510 -0.046 0.000 0.978 125 N CA 0.911 53.937 53.050 -0.040 0.000 0.777 125 N CB -0.592 37.877 38.487 -0.030 0.000 0.907 125 N HN 1.069 nan 8.380 nan 0.000 0.543 126 G N -0.994 107.769 108.800 -0.063 0.000 2.162 126 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 126 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 126 G C -0.231 174.628 174.900 -0.068 0.000 0.976 126 G CA 0.643 45.696 45.100 -0.078 0.000 0.655 126 G HN 0.591 nan 8.290 nan 0.000 0.533 127 E N -0.180 119.990 120.200 -0.049 0.000 2.171 127 E HA 0.431 4.781 4.350 -0.000 0.000 0.271 127 E C 0.333 176.912 176.600 -0.036 0.000 0.916 127 E CA -0.956 55.421 56.400 -0.039 0.000 0.774 127 E CB 1.404 31.090 29.700 -0.022 0.000 1.128 127 E HN 0.305 nan 8.360 nan 0.000 0.403 128 R N 3.940 124.416 120.500 -0.040 0.000 2.370 128 R HA 0.071 4.411 4.340 -0.000 0.000 0.309 128 R C 0.887 177.176 176.300 -0.018 0.000 1.059 128 R CA 0.175 56.252 56.100 -0.038 0.000 0.981 128 R CB 0.194 30.467 30.300 -0.045 0.000 0.972 128 R HN 0.706 nan 8.270 nan 0.000 0.437 129 I N -0.118 120.431 120.570 -0.035 0.000 3.265 129 I HA 0.270 4.440 4.170 -0.000 0.000 0.282 129 I C 0.559 176.589 176.117 -0.144 0.000 1.207 129 I CA -0.133 61.126 61.300 -0.069 0.000 1.449 129 I CB 0.665 38.598 38.000 -0.112 0.000 1.121 129 I HN 0.517 nan 8.210 nan 0.000 0.442 130 T N -0.949 113.533 114.554 -0.120 0.000 2.677 130 T HA 0.679 5.029 4.350 -0.000 0.000 0.305 130 T C -1.060 173.728 174.700 0.146 0.000 1.569 130 T CA 0.001 62.083 62.100 -0.030 0.000 0.984 130 T CB 1.370 70.130 68.868 -0.180 0.000 1.629 130 T HN 0.569 nan 8.240 nan 0.000 0.494 131 G N 0.424 109.341 108.800 0.194 0.000 2.430 131 G HA2 0.527 4.487 3.960 -0.000 0.000 0.300 131 G HA3 0.527 4.487 3.960 -0.000 0.000 0.300 131 G C -1.482 173.529 174.900 0.186 0.000 1.330 131 G CA 0.215 45.454 45.100 0.231 0.000 0.813 131 G HN 0.931 nan 8.290 nan 0.000 0.487 132 S N -0.574 115.209 115.700 0.139 0.000 2.498 132 S HA 0.556 5.026 4.470 -0.000 0.000 0.317 132 S C -0.177 174.477 174.600 0.091 0.000 1.090 132 S CA -0.414 57.852 58.200 0.111 0.000 1.089 132 S CB 1.022 64.314 63.200 0.153 0.000 0.997 132 S HN 0.518 nan 8.310 nan 0.000 0.470 133 Q N 2.207 122.045 119.800 0.064 0.000 2.260 133 Q HA 0.354 4.694 4.340 -0.000 0.000 0.242 133 Q C -0.069 175.993 176.000 0.104 0.000 0.932 133 Q CA -0.605 55.246 55.803 0.079 0.000 0.891 133 Q CB 1.467 30.227 28.738 0.037 0.000 1.222 133 Q HN 0.629 nan 8.270 nan 0.000 0.453 134 V N 3.577 123.601 119.914 0.183 0.000 2.752 134 V HA -0.199 3.921 4.120 -0.000 0.000 0.306 134 V C 0.245 176.275 176.094 -0.105 0.000 1.099 134 V CA 1.233 63.610 62.300 0.127 0.000 1.240 134 V CB -0.382 31.556 31.823 0.192 0.000 0.887 134 V HN 0.874 nan 8.190 nan 0.000 0.499 135 K N 3.252 123.463 120.400 -0.315 0.000 3.407 135 K HA -0.185 4.135 4.320 -0.000 0.000 0.312 135 K C 0.533 176.816 176.600 -0.528 0.000 1.302 135 K CA 1.240 57.056 56.287 -0.785 0.000 0.931 135 K CB -1.586 30.515 32.500 -0.665 0.000 1.257 135 K HN 0.855 nan 8.250 nan 0.000 0.454 136 N N 1.057 119.604 118.700 -0.256 0.000 2.235 136 N HA 0.033 4.773 4.740 -0.000 0.000 0.209 136 N C -0.171 175.097 175.510 -0.402 0.000 1.122 136 N CA 0.221 53.202 53.050 -0.116 0.000 0.845 136 N CB 0.216 38.670 38.487 -0.055 0.000 1.004 136 N HN 0.568 nan 8.380 nan 0.000 0.499 137 N N -1.508 116.790 118.700 -0.669 0.000 2.853 137 N HA 0.642 5.382 4.740 -0.000 0.000 0.258 137 N C -0.137 174.798 175.510 -0.958 0.000 1.444 137 N CA -0.745 51.609 53.050 -1.159 0.000 0.837 137 N CB 2.347 40.482 38.487 -0.586 0.000 1.489 137 N HN -0.091 nan 8.380 nan 0.000 0.529 138 G N -0.682 107.577 108.800 -0.903 0.000 2.250 138 G HA2 0.014 3.974 3.960 -0.000 0.000 0.252 138 G HA3 0.014 3.974 3.960 -0.000 0.000 0.252 138 G C -2.443 172.527 174.900 0.117 0.000 1.325 138 G CA -0.771 44.054 45.100 -0.458 0.000 1.091 138 G HN 0.661 nan 8.290 nan 0.000 0.476 139 Y N 0.169 120.573 120.300 0.175 0.000 2.393 139 Y HA 0.682 5.232 4.550 -0.000 0.000 0.341 139 Y C -0.146 175.814 175.900 0.100 0.000 0.988 139 Y CA -1.147 57.033 58.100 0.133 0.000 1.078 139 Y CB 2.200 40.633 38.460 -0.045 0.000 1.203 139 Y HN 0.557 nan 8.280 nan 0.000 0.453 140 V N 6.443 126.212 119.914 -0.242 0.000 2.378 140 V HA 0.313 4.433 4.120 -0.000 0.000 0.288 140 V C -0.546 175.256 176.094 -0.487 0.000 1.016 140 V CA -0.866 61.285 62.300 -0.249 0.000 0.840 140 V CB 1.384 33.148 31.823 -0.098 0.000 0.994 140 V HN 0.732 nan 8.190 nan 0.000 0.431 141 Q N 3.444 123.005 119.800 -0.400 0.000 2.398 141 Q HA 0.221 4.561 4.340 -0.000 0.000 0.251 141 Q C -0.946 174.974 176.000 -0.134 0.000 0.999 141 Q CA -0.491 55.125 55.803 -0.311 0.000 0.874 141 Q CB 1.031 29.642 28.738 -0.212 0.000 1.215 141 Q HN 0.785 nan 8.270 nan 0.000 0.470 142 D N 2.979 123.340 120.400 -0.065 0.000 2.380 142 D HA 0.096 4.736 4.640 -0.000 0.000 0.230 142 D C 0.172 176.460 176.300 -0.020 0.000 1.154 142 D CA -0.027 53.969 54.000 -0.007 0.000 0.859 142 D CB 1.458 42.326 40.800 0.113 0.000 1.045 142 D HN 0.439 nan 8.370 nan 0.000 0.495 143 T N 3.123 117.661 114.554 -0.027 0.000 3.100 143 T HA 0.012 4.362 4.350 -0.000 0.000 0.253 143 T C 1.420 176.113 174.700 -0.012 0.000 1.118 143 T CA 0.216 62.305 62.100 -0.019 0.000 1.058 143 T CB 0.140 68.996 68.868 -0.021 0.000 0.953 143 T HN 0.385 nan 8.240 nan 0.000 0.515 144 N N 2.547 121.240 118.700 -0.011 0.000 2.251 144 N HA -0.030 4.710 4.740 -0.000 0.000 0.181 144 N C 1.414 176.923 175.510 -0.002 0.000 1.019 144 N CA 0.979 54.024 53.050 -0.008 0.000 0.862 144 N CB -0.146 38.333 38.487 -0.014 0.000 0.992 144 N HN 0.525 nan 8.380 nan 0.000 0.429 145 N N 0.292 118.995 118.700 0.005 0.000 2.171 145 N HA 0.006 4.745 4.740 -0.000 0.000 0.212 145 N C -0.418 175.091 175.510 -0.001 0.000 1.184 145 N CA 0.115 53.169 53.050 0.007 0.000 0.888 145 N CB 0.289 38.789 38.487 0.021 0.000 1.038 145 N HN -0.197 nan 8.380 nan 0.000 0.517 146 Q N -0.784 119.012 119.800 -0.008 0.000 2.494 146 Q HA -0.217 4.123 4.340 -0.000 0.000 0.266 146 Q C -0.819 175.150 176.000 -0.052 0.000 1.053 146 Q CA 0.912 56.704 55.803 -0.019 0.000 1.029 146 Q CB -2.443 26.291 28.738 -0.007 0.000 1.423 146 Q HN 0.661 nan 8.270 nan 0.000 0.516 147 R N 0.632 121.087 120.500 -0.076 0.000 2.668 147 R HA 0.599 4.939 4.340 -0.000 0.000 0.279 147 R C 0.066 176.162 176.300 -0.340 0.000 0.976 147 R CA -0.781 55.185 56.100 -0.222 0.000 0.978 147 R CB 0.952 31.100 30.300 -0.253 0.000 1.133 147 R HN 0.020 nan 8.270 nan 0.000 0.484 148 N N 1.533 119.906 118.700 -0.544 0.000 2.284 148 N HA 0.344 5.084 4.740 -0.000 0.000 0.300 148 N C -1.399 173.686 175.510 -0.709 0.000 1.047 148 N CA -0.427 52.298 53.050 -0.543 0.000 0.821 148 N CB 1.839 40.155 38.487 -0.286 0.000 1.337 148 N HN 0.412 nan 8.380 nan 0.000 0.482 149 Y N 0.250 120.393 120.300 -0.263 0.000 2.570 149 Y HA 0.549 5.099 4.550 -0.000 0.000 0.345 149 Y C 0.201 176.104 175.900 0.004 0.000 1.014 149 Y CA -1.054 56.977 58.100 -0.115 0.000 1.063 149 Y CB 1.737 40.121 38.460 -0.126 0.000 1.272 149 Y HN 0.139 nan 8.280 nan 0.000 0.477 150 M N 2.917 122.654 119.600 0.228 0.000 2.528 150 M HA 0.506 4.986 4.480 -0.000 0.000 0.321 150 M C -1.138 175.311 176.300 0.247 0.000 1.153 150 M CA -0.775 54.675 55.300 0.251 0.000 0.951 150 M CB 1.768 34.468 32.600 0.168 0.000 1.705 150 M HN 0.746 nan 8.290 nan 0.000 0.451 151 F N 0.201 120.142 119.950 -0.015 0.000 2.645 151 F HA 0.850 5.377 4.527 -0.000 0.000 0.310 151 F C -1.346 174.324 175.800 -0.216 0.000 1.102 151 F CA -0.850 57.072 58.000 -0.129 0.000 0.952 151 F CB 1.646 40.561 39.000 -0.141 0.000 1.326 151 F HN 0.549 nan 8.300 nan 0.000 0.456 152 E N 1.121 121.015 120.200 -0.511 0.000 2.390 152 E HA 0.585 4.935 4.350 -0.000 0.000 0.277 152 E C -1.827 174.383 176.600 -0.650 0.000 0.939 152 E CA -0.765 55.191 56.400 -0.739 0.000 0.769 152 E CB 2.056 31.184 29.700 -0.953 0.000 1.251 152 E HN 0.738 nan 8.360 nan 0.000 0.450 153 R N 3.313 123.583 120.500 -0.383 0.000 2.473 153 R HA 0.473 4.813 4.340 -0.000 0.000 0.303 153 R C -0.657 175.576 176.300 -0.111 0.000 1.002 153 R CA -0.672 55.296 56.100 -0.220 0.000 0.884 153 R CB 1.004 31.270 30.300 -0.057 0.000 1.173 153 R HN 0.386 nan 8.270 nan 0.000 0.464 154 L N 2.959 124.167 121.223 -0.025 0.000 2.276 154 L HA 0.273 4.613 4.340 -0.000 0.000 0.286 154 L C 0.001 176.953 176.870 0.135 0.000 1.061 154 L CA -0.832 54.082 54.840 0.124 0.000 0.807 154 L CB 0.938 43.154 42.059 0.262 0.000 1.177 154 L HN 0.394 nan 8.230 nan 0.000 0.429 155 D N 3.349 123.820 120.400 0.119 0.000 2.423 155 D HA 0.281 4.921 4.640 -0.000 0.000 0.238 155 D C -0.276 176.102 176.300 0.129 0.000 1.142 155 D CA 0.445 54.500 54.000 0.093 0.000 0.884 155 D CB 0.922 41.765 40.800 0.072 0.000 1.199 155 D HN 0.231 nan 8.370 nan 0.000 0.438 156 L N 1.366 122.641 121.223 0.087 0.000 2.341 156 L HA 0.505 4.845 4.340 -0.000 0.000 0.278 156 L C 1.118 178.027 176.870 0.064 0.000 1.005 156 L CA -0.853 54.041 54.840 0.090 0.000 0.818 156 L CB 1.969 44.050 42.059 0.038 0.000 1.259 156 L HN 0.329 nan 8.230 nan 0.000 0.418 157 G N 1.663 110.510 108.800 0.077 0.000 2.616 157 G HA2 0.392 4.352 3.960 -0.000 0.000 0.268 157 G HA3 0.392 4.352 3.960 -0.000 0.000 0.268 157 G C -0.207 174.715 174.900 0.036 0.000 1.213 157 G CA -0.554 44.579 45.100 0.054 0.000 0.926 157 G HN 0.302 nan 8.290 nan 0.000 0.523 158 V N 0.974 120.905 119.914 0.028 0.000 2.540 158 V HA 0.353 4.473 4.120 -0.000 0.000 0.297 158 V C 1.643 177.753 176.094 0.027 0.000 1.024 158 V CA 1.741 64.054 62.300 0.022 0.000 1.105 158 V CB 0.307 32.140 31.823 0.018 0.000 0.938 158 V HN 1.772 nan 8.190 nan 0.000 0.482 159 G N 3.685 112.501 108.800 0.026 0.000 2.155 159 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.257 159 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.257 159 G C 0.196 175.105 174.900 0.014 0.000 0.983 159 G CA 0.457 45.576 45.100 0.032 0.000 0.676 159 G HN 0.827 nan 8.290 nan 0.000 0.528 160 E N 1.381 121.588 120.200 0.012 0.000 2.223 160 E HA 0.503 4.853 4.350 -0.000 0.000 0.282 160 E C 0.723 177.289 176.600 -0.057 0.000 1.046 160 E CA 0.271 56.672 56.400 0.002 0.000 0.857 160 E CB 0.391 30.117 29.700 0.045 0.000 1.055 160 E HN 0.403 nan 8.360 nan 0.000 0.409 161 T N 0.338 114.831 114.554 -0.100 0.000 2.912 161 T HA 0.632 4.982 4.350 -0.000 0.000 0.288 161 T C -0.380 174.113 174.700 -0.344 0.000 1.030 161 T CA -0.871 61.065 62.100 -0.273 0.000 1.020 161 T CB 1.632 70.246 68.868 -0.424 0.000 1.056 161 T HN 0.160 nan 8.240 nan 0.000 0.480 162 V N 1.794 121.345 119.914 -0.605 0.000 2.823 162 V HA 0.697 4.817 4.120 -0.000 0.000 0.312 162 V C -1.442 174.170 176.094 -0.803 0.000 1.072 162 V CA -0.916 61.091 62.300 -0.488 0.000 0.937 162 V CB 1.510 33.096 31.823 -0.396 0.000 1.013 162 V HN 0.993 nan 8.190 nan 0.000 0.430 163 Y N 0.776 120.954 120.300 -0.202 0.000 2.597 163 Y HA 0.807 5.357 4.550 -0.000 0.000 0.340 163 Y C 0.702 176.472 175.900 -0.217 0.000 1.097 163 Y CA 0.291 58.271 58.100 -0.199 0.000 1.037 163 Y CB 2.245 40.596 38.460 -0.183 0.000 1.305 163 Y HN 1.044 nan 8.280 nan 0.000 0.463 164 G N 0.432 109.211 108.800 -0.035 0.000 2.513 164 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.227 164 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.227 164 G C -0.073 174.731 174.900 -0.161 0.000 1.176 164 G CA -0.162 44.883 45.100 -0.093 0.000 0.967 164 G HN 1.294 nan 8.290 nan 0.000 0.587 165 L N -0.173 120.951 121.223 -0.167 0.000 4.560 165 L HA 0.026 4.366 4.340 -0.000 0.000 0.415 165 L C 1.394 178.188 176.870 -0.127 0.000 1.123 165 L CA 1.543 56.258 54.840 -0.210 0.000 0.991 165 L CB -1.695 40.151 42.059 -0.356 0.000 2.127 165 L HN 2.899 nan 8.230 nan 0.000 0.765 166 G N -0.065 108.670 108.800 -0.109 0.000 2.409 166 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.421 166 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.421 166 G C -0.652 174.101 174.900 -0.246 0.000 1.259 166 G CA 0.001 45.019 45.100 -0.137 0.000 1.011 166 G HN 0.259 nan 8.290 nan 0.000 0.497 167 E N 1.041 121.055 120.200 -0.309 0.000 2.003 167 E HA 0.451 4.801 4.350 -0.000 0.000 0.279 167 E C 0.362 176.594 176.600 -0.614 0.000 1.132 167 E CA -0.200 55.935 56.400 -0.442 0.000 0.888 167 E CB 0.031 29.525 29.700 -0.343 0.000 1.056 167 E HN 0.476 nan 8.360 nan 0.000 0.399 168 R N 3.355 123.446 120.500 -0.681 0.000 2.807 168 R HA 0.359 4.699 4.340 -0.000 0.000 0.276 168 R C -0.296 175.545 176.300 -0.765 0.000 0.979 168 R CA -0.722 54.990 56.100 -0.647 0.000 0.928 168 R CB 0.832 30.959 30.300 -0.287 0.000 1.191 168 R HN 0.443 nan 8.270 nan 0.000 0.471 169 F N -0.245 119.675 119.950 -0.051 0.000 2.682 169 F HA 0.059 4.586 4.527 -0.000 0.000 0.308 169 F C 1.383 177.165 175.800 -0.030 0.000 1.093 169 F CA -0.335 57.646 58.000 -0.032 0.000 1.244 169 F CB 0.300 39.297 39.000 -0.005 0.000 1.052 169 F HN 0.503 nan 8.300 nan 0.000 0.573 170 T N -0.497 114.092 114.554 0.057 0.000 2.667 170 T HA 0.481 4.831 4.350 -0.000 0.000 0.305 170 T C 0.775 175.465 174.700 -0.017 0.000 1.022 170 T CA -0.506 61.606 62.100 0.019 0.000 0.995 170 T CB 0.558 69.419 68.868 -0.013 0.000 1.026 170 T HN 0.217 nan 8.240 nan 0.000 0.527 171 A N 0.623 123.429 122.820 -0.022 0.000 2.584 171 A HA 0.214 4.534 4.320 -0.000 0.000 0.239 171 A C 1.389 178.940 177.584 -0.055 0.000 1.043 171 A CA -0.355 51.665 52.037 -0.029 0.000 0.756 171 A CB -0.654 18.331 19.000 -0.024 0.000 0.963 171 A HN 0.990 nan 8.150 nan 0.000 0.511 172 L N 4.220 125.420 121.223 -0.039 0.000 1.990 172 L HA -0.101 4.239 4.340 -0.000 0.000 0.213 172 L C 1.081 177.876 176.870 -0.125 0.000 1.072 172 L CA 1.817 56.629 54.840 -0.047 0.000 0.755 172 L CB -0.301 41.770 42.059 0.019 0.000 0.889 172 L HN 0.498 nan 8.230 nan 0.000 0.432 173 V N 0.821 120.643 119.914 -0.153 0.000 2.470 173 V HA 0.018 4.138 4.120 -0.000 0.000 0.276 173 V C 1.403 177.336 176.094 -0.268 0.000 1.040 173 V CA 0.064 62.130 62.300 -0.390 0.000 1.008 173 V CB 0.941 32.563 31.823 -0.336 0.000 0.990 173 V HN 0.319 nan 8.190 nan 0.000 0.477 174 R N 2.899 123.188 120.500 -0.352 0.000 2.276 174 R HA 0.047 4.387 4.340 -0.000 0.000 0.203 174 R C 0.482 176.664 176.300 -0.196 0.000 1.017 174 R CA 0.123 56.072 56.100 -0.251 0.000 1.010 174 R CB -0.265 29.859 30.300 -0.293 0.000 0.900 174 R HN 0.726 nan 8.270 nan 0.000 0.469 175 N N 0.179 118.761 118.700 -0.196 0.000 2.411 175 N HA 0.117 4.857 4.740 -0.000 0.000 0.265 175 N C 0.814 176.272 175.510 -0.088 0.000 1.266 175 N CA 1.437 54.405 53.050 -0.136 0.000 0.889 175 N CB 0.822 39.246 38.487 -0.104 0.000 1.069 175 N HN 0.308 nan 8.380 nan 0.000 0.476 176 G N 1.083 109.835 108.800 -0.079 0.000 2.195 176 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.224 176 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.224 176 G C -0.121 174.746 174.900 -0.055 0.000 0.990 176 G CA -0.386 44.678 45.100 -0.060 0.000 0.639 176 G HN 0.563 nan 8.290 nan 0.000 0.514 177 Q N 0.861 120.622 119.800 -0.065 0.000 2.245 177 Q HA 0.569 4.908 4.340 -0.000 0.000 0.256 177 Q C 0.224 176.205 176.000 -0.031 0.000 0.942 177 Q CA 0.119 55.892 55.803 -0.050 0.000 0.896 177 Q CB 1.776 30.474 28.738 -0.066 0.000 1.272 177 Q HN 0.309 nan 8.270 nan 0.000 0.442 178 T N -0.263 114.285 114.554 -0.010 0.000 2.845 178 T HA 0.504 4.854 4.350 -0.000 0.000 0.288 178 T C -0.598 174.126 174.700 0.039 0.000 0.980 178 T CA -0.649 61.464 62.100 0.022 0.000 1.071 178 T CB 0.890 69.764 68.868 0.012 0.000 0.941 178 T HN 0.422 nan 8.240 nan 0.000 0.487 179 V N 3.057 123.029 119.914 0.096 0.000 2.638 179 V HA 0.705 4.825 4.120 -0.000 0.000 0.306 179 V C -1.131 175.098 176.094 0.225 0.000 1.052 179 V CA -0.759 61.605 62.300 0.106 0.000 0.885 179 V CB 2.114 33.940 31.823 0.003 0.000 0.999 179 V HN 0.947 nan 8.190 nan 0.000 0.424 180 E N 3.654 123.969 120.200 0.193 0.000 2.151 180 E HA 0.336 4.686 4.350 -0.000 0.000 0.275 180 E C -0.112 176.675 176.600 0.311 0.000 0.936 180 E CA -0.314 56.228 56.400 0.236 0.000 0.777 180 E CB 1.808 31.599 29.700 0.151 0.000 1.108 180 E HN 0.948 nan 8.360 nan 0.000 0.401 181 T N 0.916 115.704 114.554 0.389 0.000 3.176 181 T HA 0.290 4.640 4.350 -0.000 0.000 0.301 181 T C -0.295 174.724 174.700 0.531 0.000 1.115 181 T CA -0.733 61.608 62.100 0.403 0.000 1.027 181 T CB -0.162 68.959 68.868 0.422 0.000 1.063 181 T HN 0.436 nan 8.240 nan 0.000 0.669 182 W N 4.175 125.607 121.300 0.219 0.000 2.934 182 W HA 0.295 4.955 4.660 -0.000 0.000 0.333 182 W C -1.423 175.284 176.519 0.313 0.000 1.035 182 W CA -0.919 56.582 57.345 0.260 0.000 1.256 182 W CB 1.366 30.913 29.460 0.144 0.000 1.306 182 W HN 0.386 nan 8.180 nan 0.000 0.430 183 N N 4.877 123.643 118.700 0.110 0.000 2.458 183 N HA 0.242 4.982 4.740 -0.000 0.000 0.258 183 N C -0.278 175.337 175.510 0.175 0.000 1.219 183 N CA 0.596 53.710 53.050 0.107 0.000 0.902 183 N CB 0.739 39.208 38.487 -0.030 0.000 1.076 183 N HN 0.395 nan 8.380 nan 0.000 0.455 184 R N 0.073 120.691 120.500 0.197 0.000 2.734 184 R HA 0.228 4.568 4.340 -0.000 0.000 0.271 184 R C -1.447 174.965 176.300 0.187 0.000 1.021 184 R CA -0.792 55.446 56.100 0.229 0.000 0.893 184 R CB 1.394 31.837 30.300 0.240 0.000 1.244 184 R HN 0.370 nan 8.270 nan 0.000 0.464 185 D N 0.565 121.104 120.400 0.231 0.000 2.493 185 D HA 0.267 4.907 4.640 -0.000 0.000 0.235 185 D C 0.149 176.518 176.300 0.115 0.000 1.117 185 D CA -0.036 54.104 54.000 0.234 0.000 0.930 185 D CB 0.895 41.895 40.800 0.334 0.000 1.010 185 D HN 0.728 nan 8.370 nan 0.000 0.514 186 G N 1.468 110.215 108.800 -0.087 0.000 3.377 186 G HA2 0.485 4.445 3.960 -0.000 0.000 0.257 186 G HA3 0.485 4.445 3.960 -0.000 0.000 0.257 186 G C 0.869 175.713 174.900 -0.094 0.000 1.038 186 G CA 0.202 45.277 45.100 -0.043 0.000 0.809 186 G HN 0.811 nan 8.290 nan 0.000 0.526 187 G N 0.385 109.090 108.800 -0.158 0.000 2.598 187 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.244 187 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.244 187 G C 0.706 175.381 174.900 -0.375 0.000 1.302 187 G CA 0.950 45.972 45.100 -0.131 0.000 0.903 187 G HN 1.259 nan 8.290 nan 0.000 0.575 188 T N -3.698 110.599 114.554 -0.428 0.000 3.288 188 T HA 0.591 4.941 4.350 -0.000 0.000 0.293 188 T C 1.084 175.404 174.700 -0.633 0.000 1.008 188 T CA 1.036 62.483 62.100 -1.088 0.000 0.929 188 T CB 0.031 68.254 68.868 -1.074 0.000 1.152 188 T HN 1.830 nan 8.240 nan 0.000 0.517 189 S N -0.033 115.555 115.700 -0.186 0.000 2.847 189 S HA 0.333 4.803 4.470 -0.000 0.000 0.254 189 S C 0.677 175.317 174.600 0.066 0.000 1.039 189 S CA 0.046 58.253 58.200 0.012 0.000 1.113 189 S CB 0.248 63.520 63.200 0.121 0.000 1.092 189 S HN 0.710 nan 8.310 nan 0.000 0.620 190 T N -0.530 114.066 114.554 0.070 0.000 2.676 190 T HA 0.491 4.841 4.350 -0.000 0.000 0.269 190 T C 0.634 175.404 174.700 0.117 0.000 0.952 190 T CA -0.131 62.021 62.100 0.087 0.000 1.040 190 T CB 1.261 70.171 68.868 0.070 0.000 1.352 190 T HN 0.011 nan 8.240 nan 0.000 0.554 191 E N 0.067 120.320 120.200 0.089 0.000 2.481 191 E HA 0.016 4.366 4.350 -0.000 0.000 0.195 191 E C 0.228 176.879 176.600 0.085 0.000 1.047 191 E CA 0.239 56.685 56.400 0.078 0.000 0.867 191 E CB -0.123 29.611 29.700 0.057 0.000 0.858 191 E HN 0.723 nan 8.360 nan 0.000 0.513 192 Q N 0.369 120.224 119.800 0.092 0.000 2.317 192 Q HA 0.607 4.946 4.340 -0.000 0.000 0.229 192 Q C -0.618 175.418 176.000 0.061 0.000 0.984 192 Q CA -0.258 55.594 55.803 0.081 0.000 0.911 192 Q CB 1.548 30.326 28.738 0.067 0.000 1.217 192 Q HN 0.245 nan 8.270 nan 0.000 0.501 193 A N 0.528 123.365 122.820 0.028 0.000 2.547 193 A HA 0.435 4.755 4.320 -0.000 0.000 0.297 193 A C -1.149 176.450 177.584 0.024 0.000 1.056 193 A CA -0.683 51.356 52.037 0.003 0.000 0.688 193 A CB 0.465 19.463 19.000 -0.004 0.000 1.282 193 A HN 0.779 nan 8.150 nan 0.000 0.400 194 Y N 0.724 121.107 120.300 0.138 0.000 2.420 194 Y HA 0.125 4.675 4.550 -0.000 0.000 0.292 194 Y C 0.797 176.736 175.900 0.065 0.000 1.119 194 Y CA 1.064 59.223 58.100 0.099 0.000 1.229 194 Y CB 0.172 38.680 38.460 0.080 0.000 1.026 194 Y HN 0.502 nan 8.280 nan 0.000 0.554 195 K N 1.620 122.129 120.400 0.181 0.000 2.540 195 K HA 0.222 4.542 4.320 -0.000 0.000 0.218 195 K C -1.003 175.597 176.600 0.001 0.000 1.017 195 K CA -0.254 56.058 56.287 0.042 0.000 1.029 195 K CB 0.487 32.915 32.500 -0.120 0.000 1.348 195 K HN 0.093 nan 8.250 nan 0.000 0.508 196 N N 3.377 122.128 118.700 0.085 0.000 2.456 196 N HA 0.419 5.159 4.740 -0.000 0.000 0.288 196 N C -0.705 174.888 175.510 0.139 0.000 1.059 196 N CA -0.325 52.791 53.050 0.110 0.000 0.946 196 N CB 1.638 40.241 38.487 0.194 0.000 1.150 196 N HN 0.282 nan 8.380 nan 0.000 0.479 197 I N 2.974 123.615 120.570 0.117 0.000 2.534 197 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 197 I C -2.249 173.959 176.117 0.151 0.000 1.094 197 I CA -1.802 59.587 61.300 0.149 0.000 1.055 197 I CB 2.173 40.261 38.000 0.147 0.000 1.225 197 I HN 0.208 nan 8.210 nan 0.000 0.435 198 P HA 0.095 nan 4.420 nan 0.000 0.249 198 P C -0.562 176.904 177.300 0.276 0.000 1.686 198 P CA 0.241 63.552 63.100 0.351 0.000 0.873 198 P CB -0.638 31.391 31.700 0.548 0.000 1.828 199 F N 2.690 122.600 119.950 -0.066 0.000 2.518 199 F HA 0.518 5.045 4.527 -0.000 0.000 0.323 199 F C -1.187 174.488 175.800 -0.208 0.000 1.129 199 F CA -1.485 56.398 58.000 -0.196 0.000 0.920 199 F CB 1.408 40.138 39.000 -0.450 0.000 1.160 199 F HN -0.052 nan 8.300 nan 0.000 0.440 200 Y N 5.430 125.071 120.300 -1.099 0.000 2.598 200 Y HA 0.839 5.389 4.550 -0.000 0.000 0.340 200 Y C -1.066 174.112 175.900 -1.204 0.000 1.038 200 Y CA -1.737 55.784 58.100 -0.965 0.000 1.100 200 Y CB 1.537 39.658 38.460 -0.565 0.000 1.281 200 Y HN 0.767 nan 8.280 nan 0.000 0.488 201 M N 1.386 120.647 119.600 -0.565 0.000 2.631 201 M HA 0.830 5.310 4.480 -0.000 0.000 0.288 201 M C -1.136 175.089 176.300 -0.126 0.000 1.260 201 M CA -0.714 54.317 55.300 -0.448 0.000 0.842 201 M CB 2.528 34.928 32.600 -0.334 0.000 1.743 201 M HN 0.883 nan 8.290 nan 0.000 0.461 202 T N -2.194 112.197 114.554 -0.271 0.000 2.907 202 T HA 0.398 4.748 4.350 -0.000 0.000 0.290 202 T C 0.363 175.013 174.700 -0.082 0.000 1.066 202 T CA -0.620 61.401 62.100 -0.132 0.000 1.012 202 T CB 1.252 69.931 68.868 -0.315 0.000 1.184 202 T HN 0.855 nan 8.240 nan 0.000 0.522 203 N N 0.567 119.295 118.700 0.047 0.000 2.575 203 N HA -0.038 4.702 4.740 -0.000 0.000 0.192 203 N C 0.769 176.272 175.510 -0.012 0.000 1.200 203 N CA -0.009 53.042 53.050 0.002 0.000 0.897 203 N CB -0.293 38.222 38.487 0.047 0.000 0.990 203 N HN 0.441 nan 8.380 nan 0.000 0.449 204 R N -0.351 120.138 120.500 -0.018 0.000 2.393 204 R HA 0.252 4.591 4.340 -0.000 0.000 0.244 204 R C 0.765 177.127 176.300 0.102 0.000 0.920 204 R CA 0.310 56.456 56.100 0.075 0.000 1.076 204 R CB -0.539 29.878 30.300 0.196 0.000 1.119 204 R HN 0.372 nan 8.270 nan 0.000 0.524 205 G N 1.554 110.345 108.800 -0.015 0.000 2.149 205 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.235 205 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.235 205 G C -0.291 174.669 174.900 0.100 0.000 1.018 205 G CA 0.655 45.766 45.100 0.017 0.000 0.728 205 G HN 0.490 nan 8.290 nan 0.000 0.508 206 Y N -1.916 118.373 120.300 -0.018 0.000 2.605 206 Y HA 0.850 5.400 4.550 -0.000 0.000 0.343 206 Y C 0.440 176.284 175.900 -0.093 0.000 1.036 206 Y CA -1.273 56.803 58.100 -0.039 0.000 1.065 206 Y CB 1.070 39.501 38.460 -0.047 0.000 1.288 206 Y HN 0.569 nan 8.280 nan 0.000 0.481 207 G N -0.025 108.765 108.800 -0.017 0.000 2.630 207 G HA2 0.596 4.556 3.960 -0.000 0.000 0.296 207 G HA3 0.596 4.556 3.960 -0.000 0.000 0.296 207 G C -1.917 172.858 174.900 -0.209 0.000 1.285 207 G CA -0.917 44.017 45.100 -0.277 0.000 0.958 207 G HN 1.337 nan 8.290 nan 0.000 0.479 208 V N 0.557 120.076 119.914 -0.659 0.000 2.668 208 V HA 0.722 4.842 4.120 -0.000 0.000 0.304 208 V C -1.598 174.400 176.094 -0.160 0.000 1.071 208 V CA -0.939 61.147 62.300 -0.357 0.000 0.894 208 V CB 1.504 33.099 31.823 -0.381 0.000 1.008 208 V HN 0.835 nan 8.190 nan 0.000 0.425 209 L N 7.530 128.928 121.223 0.291 0.000 2.272 209 L HA 0.683 5.023 4.340 -0.000 0.000 0.289 209 L C -0.462 176.635 176.870 0.380 0.000 1.032 209 L CA 0.070 55.176 54.840 0.442 0.000 0.810 209 L CB 1.647 44.083 42.059 0.629 0.000 1.205 209 L HN 0.590 nan 8.230 nan 0.000 0.422 210 V N 5.201 125.284 119.914 0.282 0.000 2.368 210 V HA 0.218 4.338 4.120 -0.000 0.000 0.266 210 V C 0.538 176.875 176.094 0.406 0.000 1.045 210 V CA -0.504 61.947 62.300 0.252 0.000 0.899 210 V CB 0.678 32.520 31.823 0.032 0.000 1.006 210 V HN 0.807 nan 8.190 nan 0.000 0.470 211 N N 4.101 122.996 118.700 0.326 0.000 3.254 211 N HA 0.094 4.834 4.740 -0.000 0.000 0.308 211 N C -0.499 174.863 175.510 -0.248 0.000 1.281 211 N CA -0.039 53.172 53.050 0.269 0.000 1.212 211 N CB -0.561 38.172 38.487 0.410 0.000 1.478 211 N HN 0.792 nan 8.380 nan 0.000 0.548 212 H N -0.585 118.609 119.070 0.207 0.000 2.924 212 H HA 0.281 4.837 4.556 -0.000 0.000 0.333 212 H C -1.803 173.473 175.328 -0.087 0.000 0.979 212 H CA -1.537 54.521 56.048 0.017 0.000 1.326 212 H CB 2.007 31.816 29.762 0.077 0.000 1.600 212 H HN 0.198 nan 8.280 nan 0.000 0.520 213 P HA -0.086 nan 4.420 nan 0.000 0.225 213 P C -0.089 177.326 177.300 0.193 0.000 1.156 213 P CA 0.552 63.543 63.100 -0.182 0.000 0.787 213 P CB 0.415 31.867 31.700 -0.413 0.000 0.802 214 Q N -0.645 119.290 119.800 0.225 0.000 2.722 214 Q HA 0.056 4.396 4.340 -0.000 0.000 0.214 214 Q C 0.343 176.593 176.000 0.418 0.000 1.109 214 Q CA -0.209 55.805 55.803 0.352 0.000 1.066 214 Q CB -0.823 28.057 28.738 0.236 0.000 1.290 214 Q HN 0.010 nan 8.270 nan 0.000 0.620 215 C N 0.911 120.476 119.300 0.442 0.000 2.633 215 C HA 0.268 4.728 4.460 -0.000 0.000 0.415 215 C C -0.175 174.948 174.990 0.223 0.000 1.393 215 C CA -0.409 58.822 59.018 0.356 0.000 1.700 215 C CB -1.093 26.660 27.740 0.022 0.000 2.541 215 C HN 0.476 nan 8.230 nan 0.000 0.603 216 V N 6.754 126.829 119.914 0.269 0.000 2.483 216 V HA 0.446 4.565 4.120 -0.000 0.000 0.295 216 V C 0.292 176.454 176.094 0.114 0.000 1.035 216 V CA -0.128 62.254 62.300 0.136 0.000 0.896 216 V CB 1.892 33.792 31.823 0.127 0.000 0.986 216 V HN 0.914 nan 8.190 nan 0.000 0.447 217 S N 4.590 120.274 115.700 -0.026 0.000 2.448 217 S HA 0.661 5.131 4.470 -0.000 0.000 0.320 217 S C -0.985 173.571 174.600 -0.073 0.000 1.071 217 S CA -0.421 57.783 58.200 0.006 0.000 1.113 217 S CB -0.118 63.051 63.200 -0.050 0.000 0.972 217 S HN 0.381 nan 8.310 nan 0.000 0.465 218 F N 3.062 123.054 119.950 0.069 0.000 2.420 218 F HA 0.449 4.976 4.527 -0.000 0.000 0.342 218 F C 0.732 176.531 175.800 -0.002 0.000 1.113 218 F CA -0.716 57.324 58.000 0.066 0.000 1.059 218 F CB 1.397 40.414 39.000 0.029 0.000 1.128 218 F HN 0.405 nan 8.300 nan 0.000 0.475 219 E N 3.493 123.770 120.200 0.128 0.000 2.101 219 E HA 0.257 4.607 4.350 -0.000 0.000 0.260 219 E C -0.945 175.669 176.600 0.025 0.000 0.897 219 E CA -0.375 56.048 56.400 0.039 0.000 0.744 219 E CB 1.932 31.617 29.700 -0.025 0.000 1.140 219 E HN 0.246 nan 8.360 nan 0.000 0.419 220 V N 2.034 121.943 119.914 -0.008 0.000 2.258 220 V HA 0.240 4.360 4.120 -0.000 0.000 0.258 220 V C 1.340 177.380 176.094 -0.091 0.000 1.121 220 V CA 0.239 62.488 62.300 -0.086 0.000 0.942 220 V CB 0.303 32.029 31.823 -0.162 0.000 1.170 220 V HN 0.949 nan 8.190 nan 0.000 0.487 221 G N 4.465 113.220 108.800 -0.076 0.000 2.187 221 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.261 221 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.261 221 G C 0.924 175.789 174.900 -0.059 0.000 1.000 221 G CA 0.851 45.911 45.100 -0.067 0.000 0.718 221 G HN 0.976 nan 8.290 nan 0.000 0.519 222 S N -1.815 113.853 115.700 -0.054 0.000 2.502 222 S HA 0.345 4.815 4.470 -0.000 0.000 0.215 222 S C 1.422 175.988 174.600 -0.056 0.000 1.009 222 S CA 0.961 59.130 58.200 -0.050 0.000 0.908 222 S CB 0.630 63.805 63.200 -0.042 0.000 0.801 222 S HN 0.666 nan 8.310 nan 0.000 0.505 223 E N 1.106 121.268 120.200 -0.063 0.000 2.307 223 E HA 0.186 4.536 4.350 -0.000 0.000 0.192 223 E C -0.484 176.068 176.600 -0.080 0.000 0.967 223 E CA -0.045 56.309 56.400 -0.077 0.000 1.042 223 E CB 0.438 30.081 29.700 -0.095 0.000 1.126 223 E HN 0.036 nan 8.360 nan 0.000 0.484 224 K N 2.404 122.758 120.400 -0.075 0.000 2.262 224 K HA 0.110 4.430 4.320 -0.000 0.000 0.282 224 K C 1.061 177.625 176.600 -0.060 0.000 1.066 224 K CA 0.052 56.295 56.287 -0.072 0.000 0.901 224 K CB 1.610 34.071 32.500 -0.065 0.000 1.089 224 K HN 0.253 nan 8.250 nan 0.000 0.476 225 V N 0.281 120.159 119.914 -0.060 0.000 2.594 225 V HA -0.115 4.005 4.120 -0.000 0.000 0.253 225 V C 0.925 176.993 176.094 -0.044 0.000 1.069 225 V CA 1.315 63.584 62.300 -0.052 0.000 1.082 225 V CB -0.161 31.633 31.823 -0.049 0.000 0.680 225 V HN 0.494 nan 8.190 nan 0.000 0.469 226 S N 0.050 115.727 115.700 -0.038 0.000 2.562 226 S HA 0.464 4.934 4.470 -0.000 0.000 0.246 226 S C -0.024 174.569 174.600 -0.012 0.000 1.056 226 S CA -0.474 57.712 58.200 -0.023 0.000 1.042 226 S CB -0.151 63.038 63.200 -0.017 0.000 0.822 226 S HN 0.709 nan 8.310 nan 0.000 0.465 227 K N 0.642 121.029 120.400 -0.021 0.000 2.508 227 K HA 0.527 4.847 4.320 -0.000 0.000 0.260 227 K C -1.359 175.227 176.600 -0.023 0.000 0.949 227 K CA -0.695 55.588 56.287 -0.008 0.000 0.834 227 K CB 2.344 34.836 32.500 -0.013 0.000 1.365 227 K HN -0.105 nan 8.250 nan 0.000 0.437 228 V N 2.669 122.582 119.914 -0.001 0.000 2.318 228 V HA 0.185 4.305 4.120 -0.000 0.000 0.271 228 V C -0.166 175.968 176.094 0.066 0.000 1.030 228 V CA -0.549 61.749 62.300 -0.004 0.000 0.844 228 V CB 0.874 32.605 31.823 -0.155 0.000 1.015 228 V HN 0.655 nan 8.190 nan 0.000 0.460 229 Q N 5.201 125.018 119.800 0.027 0.000 2.267 229 Q HA 0.593 4.933 4.340 -0.000 0.000 0.255 229 Q C -1.329 174.684 176.000 0.022 0.000 0.923 229 Q CA -0.455 55.315 55.803 -0.055 0.000 0.925 229 Q CB 1.093 29.800 28.738 -0.052 0.000 1.195 229 Q HN 0.720 nan 8.270 nan 0.000 0.417 230 F N 0.630 120.511 119.950 -0.116 0.000 2.569 230 F HA 0.711 5.238 4.527 -0.000 0.000 0.312 230 F C -0.911 174.789 175.800 -0.167 0.000 1.109 230 F CA -0.931 56.870 58.000 -0.333 0.000 0.919 230 F CB 1.531 40.138 39.000 -0.655 0.000 1.211 230 F HN 0.444 nan 8.300 nan 0.000 0.446 231 S N 1.840 117.529 115.700 -0.019 0.000 2.595 231 S HA 0.909 5.379 4.470 -0.000 0.000 0.281 231 S C -1.627 172.979 174.600 0.011 0.000 1.117 231 S CA -0.909 57.303 58.200 0.020 0.000 0.873 231 S CB 1.927 65.091 63.200 -0.060 0.000 1.108 231 S HN 1.416 nan 8.310 nan 0.000 0.477 232 V N 0.473 120.420 119.914 0.056 0.000 2.924 232 V HA 0.470 4.590 4.120 -0.000 0.000 0.300 232 V C -1.166 174.962 176.094 0.057 0.000 1.227 232 V CA -0.600 61.693 62.300 -0.011 0.000 0.954 232 V CB 1.914 33.559 31.823 -0.298 0.000 1.055 232 V HN 1.131 nan 8.190 nan 0.000 0.429 233 E N 3.884 124.105 120.200 0.035 0.000 1.985 233 E HA 0.505 4.855 4.350 -0.000 0.000 0.268 233 E C -0.477 176.018 176.600 -0.175 0.000 1.219 233 E CA 0.344 56.618 56.400 -0.210 0.000 0.942 233 E CB 0.338 29.881 29.700 -0.262 0.000 1.045 233 E HN 0.734 nan 8.360 nan 0.000 0.413 234 S N 2.968 118.578 115.700 -0.150 0.000 2.567 234 S HA 0.134 4.604 4.470 -0.000 0.000 0.270 234 S C -0.110 174.517 174.600 0.044 0.000 1.152 234 S CA -0.714 57.423 58.200 -0.105 0.000 0.835 234 S CB 1.399 64.383 63.200 -0.360 0.000 1.115 234 S HN 0.495 nan 8.310 nan 0.000 0.459 235 E N 0.753 121.050 120.200 0.162 0.000 2.489 235 E HA 0.178 4.528 4.350 -0.000 0.000 0.193 235 E C -0.462 176.332 176.600 0.324 0.000 1.057 235 E CA 0.482 57.041 56.400 0.266 0.000 0.866 235 E CB 0.117 29.984 29.700 0.278 0.000 0.916 235 E HN 0.600 nan 8.360 nan 0.000 0.500 236 Y N -2.016 118.391 120.300 0.177 0.000 2.588 236 Y HA 0.620 5.170 4.550 -0.000 0.000 0.343 236 Y C -1.296 174.743 175.900 0.233 0.000 1.065 236 Y CA -1.700 56.515 58.100 0.192 0.000 1.038 236 Y CB 0.934 39.490 38.460 0.161 0.000 1.297 236 Y HN -0.214 nan 8.280 nan 0.000 0.467 237 L N 2.531 123.878 121.223 0.208 0.000 2.341 237 L HA 0.625 4.965 4.340 -0.000 0.000 0.278 237 L C -1.151 175.994 176.870 0.458 0.000 1.005 237 L CA -0.489 54.524 54.840 0.288 0.000 0.818 237 L CB 1.978 44.200 42.059 0.272 0.000 1.259 237 L HN 0.900 nan 8.230 nan 0.000 0.418 238 E N 3.673 124.195 120.200 0.536 0.000 2.241 238 E HA 0.480 4.829 4.350 -0.000 0.000 0.263 238 E C -1.962 174.748 176.600 0.184 0.000 0.882 238 E CA -0.605 55.916 56.400 0.202 0.000 0.769 238 E CB 1.266 31.056 29.700 0.150 0.000 1.185 238 E HN 0.551 nan 8.360 nan 0.000 0.415 239 Y N 1.508 121.760 120.300 -0.079 0.000 2.605 239 Y HA 0.729 5.279 4.550 -0.000 0.000 0.343 239 Y C -1.562 174.132 175.900 -0.343 0.000 1.036 239 Y CA -1.538 56.520 58.100 -0.070 0.000 1.065 239 Y CB 1.059 39.590 38.460 0.118 0.000 1.288 239 Y HN 0.239 nan 8.280 nan 0.000 0.481 240 F N 1.316 121.396 119.950 0.218 0.000 2.477 240 F HA 0.581 5.108 4.527 -0.000 0.000 0.335 240 F C -0.686 175.146 175.800 0.054 0.000 1.130 240 F CA -1.207 56.822 58.000 0.047 0.000 0.948 240 F CB 2.016 41.078 39.000 0.104 0.000 1.154 240 F HN 0.329 nan 8.300 nan 0.000 0.439 241 V N 5.258 125.221 119.914 0.081 0.000 2.461 241 V HA 0.331 4.451 4.120 -0.000 0.000 0.275 241 V C 0.149 176.258 176.094 0.026 0.000 1.047 241 V CA -0.439 61.827 62.300 -0.056 0.000 0.955 241 V CB 1.212 32.759 31.823 -0.459 0.000 0.988 241 V HN 0.540 nan 8.190 nan 0.000 0.471 242 I N 3.803 124.423 120.570 0.084 0.000 2.382 242 I HA 0.334 4.504 4.170 -0.000 0.000 0.286 242 I C -0.205 175.972 176.117 0.101 0.000 1.002 242 I CA -0.487 60.868 61.300 0.092 0.000 1.135 242 I CB 1.721 39.827 38.000 0.175 0.000 1.288 242 I HN 0.542 nan 8.210 nan 0.000 0.448 243 D N 4.203 124.639 120.400 0.058 0.000 2.357 243 D HA 0.341 4.981 4.640 -0.000 0.000 0.242 243 D C 0.635 176.970 176.300 0.058 0.000 1.153 243 D CA 0.248 54.287 54.000 0.066 0.000 0.918 243 D CB 1.670 42.489 40.800 0.031 0.000 1.181 243 D HN 0.598 nan 8.370 nan 0.000 0.435 244 G N 0.847 109.684 108.800 0.062 0.000 2.606 244 G HA2 0.127 4.087 3.960 -0.000 0.000 0.213 244 G HA3 0.127 4.087 3.960 -0.000 0.000 0.213 244 G C -1.520 173.387 174.900 0.013 0.000 2.020 244 G CA -0.113 45.006 45.100 0.032 0.000 0.814 244 G HN 0.591 nan 8.290 nan 0.000 0.685 245 P HA 0.162 nan 4.420 nan 0.000 0.255 245 P C 0.244 177.550 177.300 0.010 0.000 1.248 245 P CA 0.673 63.788 63.100 0.025 0.000 0.807 245 P CB 0.171 31.883 31.700 0.020 0.000 1.150 246 T N -4.482 110.066 114.554 -0.010 0.000 2.945 246 T HA 0.432 4.782 4.350 -0.000 0.000 0.286 246 T C -2.113 172.560 174.700 -0.045 0.000 1.025 246 T CA -2.344 59.736 62.100 -0.033 0.000 1.039 246 T CB 1.784 70.624 68.868 -0.046 0.000 1.068 246 T HN -0.352 nan 8.240 nan 0.000 0.497 247 P HA -0.137 nan 4.420 nan 0.000 0.216 247 P C 1.339 178.597 177.300 -0.070 0.000 1.154 247 P CA 1.424 64.469 63.100 -0.092 0.000 0.865 247 P CB 0.083 31.695 31.700 -0.148 0.000 0.789 248 K N -0.978 119.375 120.400 -0.079 0.000 2.097 248 K HA -0.042 4.277 4.320 -0.000 0.000 0.205 248 K C 2.127 178.693 176.600 -0.056 0.000 1.050 248 K CA 1.368 57.609 56.287 -0.076 0.000 0.938 248 K CB -0.523 31.923 32.500 -0.089 0.000 0.718 248 K HN 0.056 nan 8.250 nan 0.000 0.442 249 A N 0.947 123.741 122.820 -0.044 0.000 1.898 249 A HA -0.093 4.226 4.320 -0.000 0.000 0.216 249 A C 2.330 179.908 177.584 -0.010 0.000 1.181 249 A CA 1.132 53.151 52.037 -0.030 0.000 0.620 249 A CB -0.558 18.427 19.000 -0.024 0.000 0.819 249 A HN 0.046 nan 8.150 nan 0.000 0.442 250 V N 0.294 120.213 119.914 0.008 0.000 2.287 250 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 250 V C 2.549 178.679 176.094 0.060 0.000 1.053 250 V CA 2.118 64.452 62.300 0.056 0.000 1.027 250 V CB -0.831 31.035 31.823 0.073 0.000 0.646 250 V HN 0.578 nan 8.190 nan 0.000 0.447 251 L N -0.006 121.228 121.223 0.018 0.000 2.191 251 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 251 L C 2.390 179.238 176.870 -0.037 0.000 1.103 251 L CA 1.583 56.414 54.840 -0.014 0.000 0.769 251 L CB -0.622 41.408 42.059 -0.048 0.000 0.908 251 L HN 0.423 nan 8.230 nan 0.000 0.438 252 D N 0.570 120.943 120.400 -0.045 0.000 2.078 252 D HA -0.184 4.456 4.640 -0.000 0.000 0.193 252 D C 2.284 178.545 176.300 -0.065 0.000 0.990 252 D CA 1.451 55.413 54.000 -0.065 0.000 0.827 252 D CB 0.056 40.820 40.800 -0.059 0.000 0.975 252 D HN 0.091 nan 8.370 nan 0.000 0.451 253 R N -0.996 119.481 120.500 -0.038 0.000 2.103 253 R HA -0.208 4.132 4.340 -0.000 0.000 0.242 253 R C 2.469 178.750 176.300 -0.031 0.000 1.142 253 R CA 1.481 57.557 56.100 -0.040 0.000 0.960 253 R CB -0.686 29.598 30.300 -0.026 0.000 0.858 253 R HN 0.380 nan 8.270 nan 0.000 0.439 254 Y N 1.804 122.020 120.300 -0.140 0.000 2.200 254 Y HA -0.217 4.333 4.550 -0.000 0.000 0.290 254 Y C 2.576 178.327 175.900 -0.249 0.000 1.137 254 Y CA 1.945 59.909 58.100 -0.226 0.000 1.163 254 Y CB -0.400 37.724 38.460 -0.560 0.000 0.988 254 Y HN 0.117 nan 8.280 nan 0.000 0.518 255 T N -1.595 112.735 114.554 -0.373 0.000 2.942 255 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 255 T C 2.069 176.574 174.700 -0.326 0.000 1.062 255 T CA 1.048 62.890 62.100 -0.431 0.000 1.139 255 T CB -0.469 68.225 68.868 -0.291 0.000 0.883 255 T HN 0.375 nan 8.240 nan 0.000 0.468 256 R N -0.435 119.942 120.500 -0.205 0.000 2.091 256 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 256 R C 2.181 178.410 176.300 -0.119 0.000 1.136 256 R CA 1.486 57.501 56.100 -0.142 0.000 0.959 256 R CB -0.510 29.736 30.300 -0.090 0.000 0.856 256 R HN 0.431 nan 8.270 nan 0.000 0.437 257 F N 1.017 120.761 119.950 -0.344 0.000 2.163 257 F HA -0.100 4.427 4.527 -0.000 0.000 0.297 257 F C 2.138 177.674 175.800 -0.440 0.000 1.094 257 F CA 2.006 59.785 58.000 -0.369 0.000 1.290 257 F CB -0.435 38.332 39.000 -0.389 0.000 1.017 257 F HN 0.149 nan 8.300 nan 0.000 0.483 258 T N -2.822 111.315 114.554 -0.696 0.000 2.971 258 T HA 0.540 4.890 4.350 -0.000 0.000 0.252 258 T C 0.758 175.093 174.700 -0.609 0.000 1.022 258 T CA 0.321 61.924 62.100 -0.828 0.000 0.980 258 T CB 0.186 68.380 68.868 -1.122 0.000 1.044 258 T HN 0.565 nan 8.240 nan 0.000 0.501 259 G N 1.334 109.816 108.800 -0.529 0.000 2.326 259 G HA2 0.275 4.235 3.960 -0.000 0.000 0.299 259 G HA3 0.275 4.235 3.960 -0.000 0.000 0.299 259 G C -1.443 173.207 174.900 -0.417 0.000 1.643 259 G CA -1.283 43.560 45.100 -0.427 0.000 0.916 259 G HN 0.280 nan 8.290 nan 0.000 0.700 260 R N 1.672 121.983 120.500 -0.314 0.000 2.340 260 R HA 0.390 4.730 4.340 -0.000 0.000 0.300 260 R C -2.377 173.765 176.300 -0.263 0.000 1.069 260 R CA -1.883 54.066 56.100 -0.253 0.000 0.984 260 R CB 0.529 30.730 30.300 -0.165 0.000 1.003 260 R HN 0.313 nan 8.270 nan 0.000 0.459 261 P HA -0.056 nan 4.420 nan 0.000 0.262 261 P C -0.474 176.821 177.300 -0.010 0.000 1.182 261 P CA 0.344 63.381 63.100 -0.105 0.000 0.761 261 P CB 0.479 32.192 31.700 0.022 0.000 0.795 262 A N 3.659 126.456 122.820 -0.038 0.000 2.366 262 A HA 0.291 4.611 4.320 -0.000 0.000 0.249 262 A C -0.203 177.443 177.584 0.102 0.000 1.084 262 A CA -0.324 51.739 52.037 0.043 0.000 0.794 262 A CB -0.151 18.909 19.000 0.100 0.000 1.034 262 A HN 0.569 nan 8.150 nan 0.000 0.491 263 L N 3.460 124.737 121.223 0.089 0.000 2.342 263 L HA 0.414 4.754 4.340 -0.000 0.000 0.285 263 L C -2.085 174.796 176.870 0.018 0.000 1.095 263 L CA -1.651 53.203 54.840 0.023 0.000 0.843 263 L CB 0.258 42.330 42.059 0.022 0.000 1.201 263 L HN 0.401 nan 8.230 nan 0.000 0.445 264 P HA 0.332 nan 4.420 nan 0.000 0.276 264 P C -2.752 174.645 177.300 0.163 0.000 1.244 264 P CA -1.647 61.429 63.100 -0.041 0.000 0.801 264 P CB -0.244 31.301 31.700 -0.259 0.000 1.006 265 P HA 0.004 nan 4.420 nan 0.000 0.269 265 P C 0.400 177.721 177.300 0.036 0.000 1.209 265 P CA 0.098 63.139 63.100 -0.099 0.000 0.776 265 P CB 0.483 31.846 31.700 -0.562 0.000 0.876 266 A N 4.485 127.351 122.820 0.077 0.000 1.978 266 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 266 A C 2.017 179.772 177.584 0.284 0.000 1.170 266 A CA 1.415 53.510 52.037 0.096 0.000 0.636 266 A CB -1.673 17.196 19.000 -0.219 0.000 0.810 266 A HN 0.841 nan 8.150 nan 0.000 0.448 267 W N 0.773 122.192 121.300 0.198 0.000 2.364 267 W HA -0.177 4.483 4.660 -0.000 0.000 0.281 267 W C 1.818 178.465 176.519 0.214 0.000 1.219 267 W CA 1.304 58.732 57.345 0.138 0.000 1.220 267 W CB -1.319 28.168 29.460 0.045 0.000 1.127 267 W HN 0.523 nan 8.180 nan 0.000 0.556 268 S N 0.584 116.284 115.700 -0.001 0.000 2.474 268 S HA -0.175 4.295 4.470 -0.000 0.000 0.235 268 S C 1.389 176.234 174.600 0.409 0.000 0.997 268 S CA 0.711 59.039 58.200 0.214 0.000 0.949 268 S CB -1.427 61.703 63.200 -0.115 0.000 0.766 268 S HN 0.236 nan 8.310 nan 0.000 0.517 269 F N 2.450 122.514 119.950 0.189 0.000 2.802 269 F HA 0.331 4.858 4.527 -0.000 0.000 0.300 269 F C 1.909 177.797 175.800 0.146 0.000 1.168 269 F CA -0.107 57.909 58.000 0.026 0.000 1.433 269 F CB -0.465 38.534 39.000 -0.002 0.000 1.115 269 F HN 0.341 nan 8.300 nan 0.000 0.582 270 G N 0.019 109.035 108.800 0.359 0.000 2.510 270 G HA2 0.357 4.317 3.960 -0.000 0.000 0.280 270 G HA3 0.357 4.317 3.960 -0.000 0.000 0.280 270 G C -1.166 174.065 174.900 0.553 0.000 1.386 270 G CA -0.552 44.719 45.100 0.286 0.000 1.047 270 G HN -0.026 nan 8.290 nan 0.000 0.527 271 L N -0.372 121.267 121.223 0.694 0.000 2.292 271 L HA 0.562 4.902 4.340 -0.000 0.000 0.284 271 L C -1.206 175.929 176.870 0.443 0.000 1.065 271 L CA -0.936 54.208 54.840 0.506 0.000 0.806 271 L CB 0.658 42.926 42.059 0.350 0.000 1.175 271 L HN 0.423 nan 8.230 nan 0.000 0.431 272 W N 6.290 127.657 121.300 0.112 0.000 2.469 272 W HA 0.612 5.271 4.660 -0.000 0.000 0.320 272 W C -0.534 175.973 176.519 -0.020 0.000 1.086 272 W CA -0.556 56.791 57.345 0.003 0.000 1.211 272 W CB 0.992 30.362 29.460 -0.151 0.000 1.298 272 W HN 0.297 nan 8.180 nan 0.000 0.525 273 L N 3.441 124.757 121.223 0.154 0.000 2.370 273 L HA 0.684 5.024 4.340 -0.000 0.000 0.266 273 L C -0.114 176.648 176.870 -0.179 0.000 1.002 273 L CA -0.492 54.404 54.840 0.093 0.000 0.818 273 L CB 2.249 44.454 42.059 0.243 0.000 1.325 273 L HN 0.598 nan 8.230 nan 0.000 0.418 274 T N -1.706 112.724 114.554 -0.207 0.000 2.942 274 T HA 0.256 4.606 4.350 -0.000 0.000 0.289 274 T C 1.150 175.519 174.700 -0.550 0.000 1.044 274 T CA 0.160 61.994 62.100 -0.443 0.000 1.023 274 T CB 1.521 70.426 68.868 0.061 0.000 1.123 274 T HN 0.744 nan 8.240 nan 0.000 0.512 275 T N -0.443 113.690 114.554 -0.702 0.000 2.969 275 T HA 0.076 4.426 4.350 -0.000 0.000 0.271 275 T C 0.983 175.156 174.700 -0.879 0.000 1.127 275 T CA 0.668 62.322 62.100 -0.745 0.000 1.102 275 T CB -1.002 67.245 68.868 -1.035 0.000 0.855 275 T HN 1.119 nan 8.240 nan 0.000 0.536 276 S N -0.204 115.150 115.700 -0.577 0.000 3.849 276 S HA -0.158 4.312 4.470 -0.000 0.000 0.654 276 S C 0.028 174.663 174.600 0.058 0.000 1.808 276 S CA 0.134 58.072 58.200 -0.437 0.000 1.951 276 S CB -1.349 61.560 63.200 -0.484 0.000 0.330 276 S HN 0.447 nan 8.310 nan 0.000 1.627 277 F N 1.986 121.940 119.950 0.006 0.000 2.135 277 F HA 0.166 4.692 4.527 -0.000 0.000 0.280 277 F C 2.546 178.580 175.800 0.391 0.000 1.109 277 F CA 2.060 60.260 58.000 0.334 0.000 1.163 277 F CB -1.185 38.084 39.000 0.449 0.000 1.062 277 F HN 0.766 nan 8.300 nan 0.000 0.496 278 T N -1.274 113.231 114.554 -0.081 0.000 3.145 278 T HA 0.201 4.551 4.350 -0.000 0.000 0.255 278 T C 0.896 175.446 174.700 -0.250 0.000 1.039 278 T CA 0.308 62.181 62.100 -0.379 0.000 0.928 278 T CB -1.456 67.114 68.868 -0.498 0.000 1.029 278 T HN 0.397 nan 8.240 nan 0.000 0.554 279 T N 0.709 115.240 114.554 -0.038 0.000 2.887 279 T HA 0.246 4.596 4.350 -0.000 0.000 0.371 279 T C -0.071 174.635 174.700 0.009 0.000 1.126 279 T CA -0.369 61.754 62.100 0.038 0.000 1.043 279 T CB -0.115 68.842 68.868 0.149 0.000 1.362 279 T HN 0.300 nan 8.240 nan 0.000 0.525 280 N N 0.182 118.982 118.700 0.167 0.000 2.399 280 N HA 0.473 5.213 4.740 -0.000 0.000 0.284 280 N C -1.797 173.948 175.510 0.393 0.000 1.025 280 N CA -0.691 52.415 53.050 0.094 0.000 0.885 280 N CB 1.077 39.578 38.487 0.023 0.000 1.339 280 N HN 0.531 nan 8.380 nan 0.000 0.487 281 Y N 0.636 121.058 120.300 0.204 0.000 2.409 281 Y HA 0.637 5.187 4.550 -0.000 0.000 0.339 281 Y C -0.181 175.798 175.900 0.132 0.000 1.033 281 Y CA -1.558 56.749 58.100 0.345 0.000 1.094 281 Y CB 0.998 39.850 38.460 0.653 0.000 1.210 281 Y HN 0.513 nan 8.280 nan 0.000 0.456 282 D N -1.444 119.134 120.400 0.298 0.000 2.755 282 D HA 0.120 4.760 4.640 -0.000 0.000 0.277 282 D C 0.296 176.715 176.300 0.198 0.000 1.261 282 D CA -0.815 53.187 54.000 0.003 0.000 0.759 282 D CB 0.679 41.438 40.800 -0.069 0.000 1.279 282 D HN 0.450 nan 8.370 nan 0.000 0.420 283 E N -0.073 120.211 120.200 0.140 0.000 2.086 283 E HA -0.256 4.094 4.350 -0.000 0.000 0.200 283 E C 1.919 178.589 176.600 0.116 0.000 1.012 283 E CA 2.309 58.814 56.400 0.174 0.000 0.812 283 E CB -0.220 29.544 29.700 0.107 0.000 0.743 283 E HN 0.498 nan 8.360 nan 0.000 0.453 284 A N -0.147 122.716 122.820 0.072 0.000 1.873 284 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 284 A C 2.395 180.006 177.584 0.045 0.000 1.186 284 A CA 2.038 54.095 52.037 0.034 0.000 0.616 284 A CB -0.961 18.045 19.000 0.010 0.000 0.823 284 A HN 0.330 nan 8.150 nan 0.000 0.442 285 T N -0.205 114.416 114.554 0.112 0.000 2.684 285 T HA -0.135 4.214 4.350 -0.000 0.000 0.267 285 T C 1.881 176.737 174.700 0.259 0.000 1.036 285 T CA 1.599 63.806 62.100 0.178 0.000 1.148 285 T CB -0.552 68.503 68.868 0.312 0.000 0.863 285 T HN 0.134 nan 8.240 nan 0.000 0.436 286 V N 2.649 122.742 119.914 0.299 0.000 2.233 286 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 286 V C 2.507 178.619 176.094 0.030 0.000 1.050 286 V CA 1.654 64.101 62.300 0.245 0.000 1.010 286 V CB -0.595 31.360 31.823 0.221 0.000 0.637 286 V HN 0.509 nan 8.190 nan 0.000 0.444 287 N N 0.058 118.752 118.700 -0.010 0.000 2.205 287 N HA -0.166 4.574 4.740 -0.000 0.000 0.186 287 N C 2.158 177.625 175.510 -0.072 0.000 1.015 287 N CA 1.721 54.731 53.050 -0.066 0.000 0.862 287 N CB -0.259 38.199 38.487 -0.048 0.000 0.986 287 N HN 0.560 nan 8.380 nan 0.000 0.429 288 S N 0.474 116.119 115.700 -0.092 0.000 2.356 288 S HA -0.089 4.381 4.470 -0.000 0.000 0.223 288 S C 1.822 176.275 174.600 -0.244 0.000 1.032 288 S CA 0.909 58.976 58.200 -0.221 0.000 1.005 288 S CB -0.351 62.643 63.200 -0.345 0.000 0.867 288 S HN 0.210 nan 8.310 nan 0.000 0.449 289 F N 1.220 121.128 119.950 -0.070 0.000 2.293 289 F HA 0.278 4.805 4.527 -0.000 0.000 0.297 289 F C 2.129 178.019 175.800 0.149 0.000 1.089 289 F CA 0.554 58.589 58.000 0.058 0.000 1.377 289 F CB -0.346 38.521 39.000 -0.221 0.000 1.051 289 F HN 0.208 nan 8.300 nan 0.000 0.511 290 I N -0.039 120.626 120.570 0.159 0.000 2.226 290 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 290 I C 1.786 177.919 176.117 0.027 0.000 1.100 290 I CA 1.333 62.664 61.300 0.051 0.000 1.374 290 I CB -0.369 37.550 38.000 -0.134 0.000 1.057 290 I HN 0.043 nan 8.210 nan 0.000 0.413 291 D N 0.711 121.094 120.400 -0.027 0.000 2.183 291 D HA -0.082 4.558 4.640 -0.000 0.000 0.203 291 D C 2.189 178.432 176.300 -0.096 0.000 0.969 291 D CA 1.280 55.239 54.000 -0.068 0.000 0.842 291 D CB -0.449 40.292 40.800 -0.098 0.000 0.957 291 D HN 0.369 nan 8.370 nan 0.000 0.484 292 G N 0.877 109.612 108.800 -0.109 0.000 2.422 292 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 292 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 292 G C 1.581 176.337 174.900 -0.241 0.000 1.146 292 G CA 0.495 45.396 45.100 -0.332 0.000 0.769 292 G HN 0.116 nan 8.290 nan 0.000 0.547 293 M N 1.094 120.781 119.600 0.145 0.000 2.086 293 M HA 0.019 4.499 4.480 -0.000 0.000 0.261 293 M C 3.076 179.414 176.300 0.064 0.000 1.067 293 M CA 1.473 56.907 55.300 0.223 0.000 1.116 293 M CB -1.225 31.530 32.600 0.259 0.000 1.348 293 M HN 0.317 nan 8.290 nan 0.000 0.407 294 A N 0.186 123.012 122.820 0.011 0.000 1.877 294 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 294 A C 2.050 179.606 177.584 -0.047 0.000 1.186 294 A CA 1.881 53.905 52.037 -0.022 0.000 0.620 294 A CB -0.854 18.122 19.000 -0.039 0.000 0.822 294 A HN 0.561 nan 8.150 nan 0.000 0.443 295 E N -0.626 119.520 120.200 -0.091 0.000 2.097 295 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 295 E C 1.916 178.457 176.600 -0.099 0.000 1.000 295 E CA 1.388 57.718 56.400 -0.117 0.000 0.804 295 E CB -0.142 29.441 29.700 -0.195 0.000 0.740 295 E HN 0.513 nan 8.360 nan 0.000 0.454 296 R N 0.650 121.092 120.500 -0.096 0.000 2.319 296 R HA 0.075 4.415 4.340 -0.000 0.000 0.204 296 R C -0.212 176.100 176.300 0.020 0.000 0.954 296 R CA -0.002 56.074 56.100 -0.040 0.000 1.066 296 R CB 0.010 30.298 30.300 -0.020 0.000 0.991 296 R HN 0.153 nan 8.270 nan 0.000 0.486 297 N N 0.892 119.598 118.700 0.010 0.000 2.725 297 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 297 N C -1.092 174.454 175.510 0.060 0.000 1.031 297 N CA 0.909 53.974 53.050 0.026 0.000 0.720 297 N CB -1.165 37.334 38.487 0.020 0.000 0.930 297 N HN 0.299 nan 8.380 nan 0.000 0.543 298 L N 0.544 121.815 121.223 0.081 0.000 2.297 298 L HA 0.381 4.721 4.340 -0.000 0.000 0.277 298 L C -2.041 174.867 176.870 0.064 0.000 1.040 298 L CA -1.605 53.306 54.840 0.118 0.000 0.867 298 L CB 1.063 43.243 42.059 0.203 0.000 1.244 298 L HN -0.261 nan 8.230 nan 0.000 0.433 299 P HA 0.090 nan 4.420 nan 0.000 0.265 299 P C -0.892 176.237 177.300 -0.286 0.000 1.193 299 P CA 0.071 63.120 63.100 -0.085 0.000 0.765 299 P CB 0.849 32.587 31.700 0.062 0.000 0.823 300 L N 4.127 125.034 121.223 -0.526 0.000 2.464 300 L HA 0.311 4.651 4.340 -0.000 0.000 0.266 300 L C -0.154 176.375 176.870 -0.569 0.000 0.965 300 L CA -0.399 54.179 54.840 -0.438 0.000 0.833 300 L CB 1.864 43.869 42.059 -0.091 0.000 1.296 300 L HN 0.552 nan 8.230 nan 0.000 0.405 301 H N 2.657 121.752 119.070 0.042 0.000 2.800 301 H HA 0.325 4.881 4.556 -0.000 0.000 0.257 301 H C -0.341 174.890 175.328 -0.161 0.000 0.967 301 H CA 0.006 56.044 56.048 -0.016 0.000 1.192 301 H CB 1.316 31.124 29.762 0.076 0.000 1.441 301 H HN 0.262 nan 8.280 nan 0.000 0.461 302 V N 1.094 120.909 119.914 -0.164 0.000 2.709 302 V HA 0.252 4.372 4.120 -0.000 0.000 0.308 302 V C -1.471 174.494 176.094 -0.216 0.000 1.062 302 V CA -0.901 61.130 62.300 -0.447 0.000 0.901 302 V CB 2.490 33.517 31.823 -1.327 0.000 1.003 302 V HN 0.106 nan 8.190 nan 0.000 0.425 303 F N 3.411 123.172 119.950 -0.316 0.000 2.507 303 F HA 0.699 5.226 4.527 -0.000 0.000 0.325 303 F C -0.438 175.212 175.800 -0.249 0.000 1.116 303 F CA -0.527 57.328 58.000 -0.240 0.000 0.930 303 F CB 1.515 40.369 39.000 -0.243 0.000 1.146 303 F HN 0.713 nan 8.300 nan 0.000 0.447 304 H N 5.364 123.762 119.070 -1.121 0.000 2.505 304 H HA 0.460 5.016 4.556 -0.000 0.000 0.338 304 H C -1.649 173.141 175.328 -0.897 0.000 1.057 304 H CA -0.682 54.943 56.048 -0.705 0.000 1.202 304 H CB 0.783 30.266 29.762 -0.465 0.000 1.466 304 H HN 0.471 nan 8.280 nan 0.000 0.499 305 F N 3.984 123.448 119.950 -0.810 0.000 2.411 305 F HA 0.176 4.703 4.527 -0.000 0.000 0.355 305 F C 0.779 176.203 175.800 -0.627 0.000 1.117 305 F CA -0.372 57.285 58.000 -0.573 0.000 1.139 305 F CB 0.706 39.515 39.000 -0.319 0.000 1.120 305 F HN 0.651 nan 8.300 nan 0.000 0.493 306 D N 1.200 121.496 120.400 -0.173 0.000 2.469 306 D HA 0.169 4.809 4.640 -0.000 0.000 0.278 306 D C 1.066 177.508 176.300 0.236 0.000 1.231 306 D CA -0.360 53.715 54.000 0.125 0.000 1.075 306 D CB 0.810 41.805 40.800 0.325 0.000 1.121 306 D HN 0.575 nan 8.370 nan 0.000 0.571 307 C N -0.379 118.701 119.300 -0.366 0.000 2.403 307 C HA -0.148 4.312 4.460 -0.000 0.000 0.277 307 C C 2.245 176.596 174.990 -1.065 0.000 1.248 307 C CA 0.342 58.510 59.018 -1.415 0.000 1.762 307 C CB -1.239 25.105 27.740 -2.327 0.000 2.014 307 C HN 0.465 nan 8.230 nan 0.000 0.486 308 F N 1.337 121.171 119.950 -0.193 0.000 2.769 308 F HA 0.043 4.570 4.527 -0.000 0.000 0.304 308 F C 2.049 177.961 175.800 0.187 0.000 1.158 308 F CA -0.056 57.890 58.000 -0.090 0.000 1.398 308 F CB -0.706 38.050 39.000 -0.408 0.000 1.094 308 F HN 0.575 nan 8.300 nan 0.000 0.553 309 W N -0.351 121.164 121.300 0.358 0.000 2.421 309 W HA -0.006 4.654 4.660 -0.000 0.000 0.270 309 W C 0.012 176.575 176.519 0.074 0.000 1.233 309 W CA 0.382 57.838 57.345 0.186 0.000 1.226 309 W CB -0.686 28.580 29.460 -0.323 0.000 1.121 309 W HN -0.020 nan 8.180 nan 0.000 0.579 310 M N 1.293 120.647 119.600 -0.410 0.000 2.654 310 M HA 0.291 4.771 4.480 -0.000 0.000 0.310 310 M C 0.328 176.703 176.300 0.126 0.000 1.211 310 M CA -0.704 54.420 55.300 -0.294 0.000 0.947 310 M CB 1.997 34.249 32.600 -0.581 0.000 1.647 310 M HN -0.374 nan 8.290 nan 0.000 0.481 311 K N 1.069 121.539 120.400 0.117 0.000 2.414 311 K HA 0.335 4.655 4.320 -0.000 0.000 0.272 311 K C -0.196 176.351 176.600 -0.088 0.000 0.993 311 K CA -0.377 55.963 56.287 0.089 0.000 0.964 311 K CB 0.531 33.063 32.500 0.053 0.000 0.925 311 K HN 0.734 nan 8.250 nan 0.000 0.487 312 A N 2.287 124.961 122.820 -0.243 0.000 2.531 312 A HA 0.148 4.468 4.320 -0.000 0.000 0.236 312 A C 0.031 177.076 177.584 -0.899 0.000 1.062 312 A CA 0.046 51.568 52.037 -0.858 0.000 0.760 312 A CB -0.538 17.959 19.000 -0.837 0.000 0.995 312 A HN 0.763 nan 8.150 nan 0.000 0.501 313 F N -1.379 117.957 119.950 -1.024 0.000 2.748 313 F HA -0.243 4.284 4.527 -0.000 0.000 0.370 313 F C 1.251 176.769 175.800 -0.469 0.000 0.620 313 F CA 1.698 59.294 58.000 -0.673 0.000 1.233 313 F CB -1.912 36.841 39.000 -0.411 0.000 1.708 313 F HN 0.734 nan 8.300 nan 0.000 0.298 314 Q N -1.454 118.145 119.800 -0.336 0.000 2.159 314 Q HA 0.075 4.415 4.340 -0.000 0.000 0.217 314 Q C -0.181 175.862 176.000 0.072 0.000 0.818 314 Q CA -0.250 55.508 55.803 -0.074 0.000 1.008 314 Q CB 0.462 29.195 28.738 -0.007 0.000 1.148 314 Q HN 0.294 nan 8.270 nan 0.000 0.491 315 W N 0.932 122.189 121.300 -0.072 0.000 2.266 315 W HA 0.218 4.878 4.660 -0.000 0.000 0.317 315 W C 0.093 176.724 176.519 0.186 0.000 1.310 315 W CA -1.751 55.602 57.345 0.015 0.000 1.207 315 W CB 0.219 29.695 29.460 0.026 0.000 1.199 315 W HN 0.019 nan 8.180 nan 0.000 0.544 316 C N 6.506 126.037 119.300 0.384 0.000 2.301 316 C HA 0.214 4.673 4.460 -0.000 0.000 0.313 316 C C 1.007 175.943 174.990 -0.090 0.000 1.121 316 C CA -0.625 58.454 59.018 0.102 0.000 1.507 316 C CB -1.149 26.568 27.740 -0.038 0.000 1.975 316 C HN 0.681 nan 8.230 nan 0.000 0.425 317 D N 2.344 122.702 120.400 -0.070 0.000 2.369 317 D HA 0.088 4.728 4.640 -0.000 0.000 0.211 317 D C 0.709 177.111 176.300 0.170 0.000 1.077 317 D CA -0.290 53.796 54.000 0.143 0.000 0.842 317 D CB -0.444 40.491 40.800 0.226 0.000 0.947 317 D HN 0.517 nan 8.370 nan 0.000 0.509 318 F N -0.377 119.583 119.950 0.016 0.000 2.953 318 F HA -0.199 4.328 4.527 -0.000 0.000 0.292 318 F C 0.000 175.826 175.800 0.044 0.000 0.747 318 F CA 0.473 58.480 58.000 0.013 0.000 1.222 318 F CB -1.906 37.119 39.000 0.042 0.000 1.457 318 F HN -0.004 nan 8.300 nan 0.000 0.383 319 E N 0.290 120.526 120.200 0.061 0.000 2.134 319 E HA 0.191 4.541 4.350 -0.000 0.000 0.278 319 E C -0.379 176.318 176.600 0.163 0.000 0.959 319 E CA -0.740 55.779 56.400 0.197 0.000 0.783 319 E CB 0.492 30.312 29.700 0.201 0.000 1.095 319 E HN 0.195 nan 8.360 nan 0.000 0.399 320 W N 1.984 123.509 121.300 0.375 0.000 2.295 320 W HA -0.046 4.614 4.660 -0.000 0.000 0.335 320 W C 1.049 177.764 176.519 0.327 0.000 1.351 320 W CA 0.059 57.656 57.345 0.421 0.000 1.273 320 W CB 0.291 29.954 29.460 0.338 0.000 1.214 320 W HN 0.306 nan 8.180 nan 0.000 0.563 321 D N 5.991 126.748 120.400 0.596 0.000 2.402 321 D HA -0.059 4.581 4.640 -0.000 0.000 0.268 321 D C -0.923 175.639 176.300 0.437 0.000 1.294 321 D CA -1.230 53.045 54.000 0.458 0.000 0.945 321 D CB 1.009 42.089 40.800 0.467 0.000 1.112 321 D HN 0.128 nan 8.370 nan 0.000 0.517 322 P HA -0.080 nan 4.420 nan 0.000 0.225 322 P C 1.630 179.018 177.300 0.147 0.000 1.156 322 P CA 0.541 63.777 63.100 0.226 0.000 0.787 322 P CB 0.417 32.220 31.700 0.172 0.000 0.802 323 L N -0.890 120.404 121.223 0.119 0.000 2.095 323 L HA -0.025 4.315 4.340 -0.000 0.000 0.204 323 L C 2.515 179.383 176.870 -0.002 0.000 1.080 323 L CA 1.544 56.416 54.840 0.053 0.000 0.759 323 L CB -1.536 40.547 42.059 0.041 0.000 0.914 323 L HN -0.057 nan 8.230 nan 0.000 0.439 324 T N -0.645 113.891 114.554 -0.030 0.000 2.896 324 T HA 0.003 4.353 4.350 -0.000 0.000 0.263 324 T C 0.223 174.620 174.700 -0.504 0.000 1.050 324 T CA 1.047 62.965 62.100 -0.303 0.000 1.140 324 T CB -0.027 68.588 68.868 -0.421 0.000 0.877 324 T HN 0.007 nan 8.240 nan 0.000 0.457 325 F N 1.329 121.403 119.950 0.207 0.000 2.523 325 F HA 0.344 4.871 4.527 -0.000 0.000 0.322 325 F C -1.869 173.970 175.800 0.066 0.000 1.361 325 F CA -2.663 55.428 58.000 0.151 0.000 1.151 325 F CB 1.353 40.530 39.000 0.295 0.000 1.391 325 F HN -0.049 nan 8.300 nan 0.000 0.566 326 P HA -0.136 nan 4.420 nan 0.000 0.220 326 P C 0.209 177.523 177.300 0.022 0.000 1.148 326 P CA 1.377 64.522 63.100 0.076 0.000 0.803 326 P CB 0.546 32.271 31.700 0.041 0.000 0.782 327 D N -1.222 119.169 120.400 -0.015 0.000 2.468 327 D HA 0.206 4.846 4.640 -0.000 0.000 0.272 327 D C -2.016 174.160 176.300 -0.207 0.000 1.221 327 D CA -2.223 51.723 54.000 -0.090 0.000 0.860 327 D CB 0.635 41.399 40.800 -0.060 0.000 1.190 327 D HN -0.150 nan 8.370 nan 0.000 0.509 328 P HA -0.127 nan 4.420 nan 0.000 0.215 328 P C 1.257 178.211 177.300 -0.576 0.000 1.157 328 P CA 0.853 63.446 63.100 -0.844 0.000 0.868 328 P CB 0.476 31.158 31.700 -1.696 0.000 0.788 329 E N -0.553 119.418 120.200 -0.382 0.000 2.077 329 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 329 E C 2.214 178.705 176.600 -0.182 0.000 0.989 329 E CA 1.342 57.594 56.400 -0.246 0.000 0.800 329 E CB -0.873 28.727 29.700 -0.166 0.000 0.746 329 E HN 0.142 nan 8.360 nan 0.000 0.452 330 G N 1.545 110.254 108.800 -0.152 0.000 2.446 330 G HA2 -0.342 3.617 3.960 -0.000 0.000 0.217 330 G HA3 -0.342 3.617 3.960 -0.000 0.000 0.217 330 G C 1.567 176.410 174.900 -0.095 0.000 1.168 330 G CA 1.101 46.138 45.100 -0.105 0.000 0.771 330 G HN 0.336 nan 8.290 nan 0.000 0.551 331 M N -0.080 119.456 119.600 -0.108 0.000 2.117 331 M HA 0.011 4.491 4.480 -0.000 0.000 0.262 331 M C 2.451 178.718 176.300 -0.055 0.000 1.065 331 M CA 1.512 56.781 55.300 -0.052 0.000 1.114 331 M CB -0.235 32.356 32.600 -0.016 0.000 1.361 331 M HN 0.247 nan 8.290 nan 0.000 0.408 332 I N -0.017 120.477 120.570 -0.127 0.000 2.202 332 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 332 I C 2.563 178.629 176.117 -0.084 0.000 1.091 332 I CA 1.248 62.490 61.300 -0.096 0.000 1.368 332 I CB -0.454 37.447 38.000 -0.164 0.000 1.058 332 I HN 0.318 nan 8.210 nan 0.000 0.410 333 R N 0.564 121.005 120.500 -0.098 0.000 2.096 333 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 333 R C 2.451 178.707 176.300 -0.073 0.000 1.139 333 R CA 1.560 57.608 56.100 -0.086 0.000 0.952 333 R CB -0.431 29.820 30.300 -0.082 0.000 0.854 333 R HN 0.377 nan 8.270 nan 0.000 0.436 334 R N 0.529 120.992 120.500 -0.062 0.000 2.091 334 R HA -0.111 4.229 4.340 -0.000 0.000 0.238 334 R C 2.403 178.668 176.300 -0.060 0.000 1.136 334 R CA 1.273 57.340 56.100 -0.055 0.000 0.959 334 R CB -0.411 29.863 30.300 -0.044 0.000 0.856 334 R HN 0.232 nan 8.270 nan 0.000 0.437 335 L N 0.583 121.774 121.223 -0.053 0.000 2.056 335 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 335 L C 2.569 179.389 176.870 -0.083 0.000 1.078 335 L CA 1.283 56.084 54.840 -0.066 0.000 0.749 335 L CB -0.378 41.664 42.059 -0.029 0.000 0.901 335 L HN 0.129 nan 8.230 nan 0.000 0.433 336 K N 0.612 120.958 120.400 -0.089 0.000 2.103 336 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 336 K C 2.012 178.553 176.600 -0.098 0.000 1.048 336 K CA 1.418 57.638 56.287 -0.112 0.000 0.930 336 K CB -0.105 32.324 32.500 -0.118 0.000 0.716 336 K HN 0.268 nan 8.250 nan 0.000 0.444 337 A N 0.849 123.620 122.820 -0.082 0.000 2.066 337 A HA -0.082 4.237 4.320 -0.000 0.000 0.218 337 A C 1.341 178.884 177.584 -0.068 0.000 1.157 337 A CA 1.131 53.125 52.037 -0.071 0.000 0.670 337 A CB -0.212 18.750 19.000 -0.063 0.000 0.804 337 A HN 0.313 nan 8.150 nan 0.000 0.453 338 K N -0.814 119.542 120.400 -0.074 0.000 2.505 338 K HA 0.227 4.547 4.320 -0.000 0.000 0.192 338 K C 0.914 177.471 176.600 -0.071 0.000 1.025 338 K CA 0.422 56.666 56.287 -0.071 0.000 1.086 338 K CB -0.121 32.331 32.500 -0.079 0.000 0.840 338 K HN 0.601 nan 8.250 nan 0.000 0.514 339 G N 1.605 110.358 108.800 -0.078 0.000 2.136 339 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.242 339 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.242 339 G C -0.091 174.751 174.900 -0.096 0.000 0.989 339 G CA -0.264 44.790 45.100 -0.076 0.000 0.682 339 G HN 0.184 nan 8.290 nan 0.000 0.522 340 L N 0.379 121.529 121.223 -0.122 0.000 2.325 340 L HA 0.508 4.848 4.340 -0.000 0.000 0.279 340 L C 0.614 177.333 176.870 -0.251 0.000 1.054 340 L CA -1.068 53.682 54.840 -0.150 0.000 0.804 340 L CB 1.137 43.134 42.059 -0.104 0.000 1.200 340 L HN -0.106 nan 8.230 nan 0.000 0.436 341 K N 2.845 123.015 120.400 -0.384 0.000 2.154 341 K HA 0.522 4.842 4.320 -0.000 0.000 0.264 341 K C -0.690 175.679 176.600 -0.386 0.000 1.008 341 K CA -0.459 55.484 56.287 -0.574 0.000 0.937 341 K CB 1.691 33.514 32.500 -1.129 0.000 1.002 341 K HN 0.305 nan 8.250 nan 0.000 0.469 342 I N 0.891 121.266 120.570 -0.324 0.000 2.433 342 I HA 0.187 4.357 4.170 -0.000 0.000 0.292 342 I C -0.309 175.681 176.117 -0.212 0.000 1.001 342 I CA -0.496 60.707 61.300 -0.161 0.000 1.119 342 I CB 1.744 39.740 38.000 -0.006 0.000 1.289 342 I HN 0.478 nan 8.210 nan 0.000 0.438 343 C N 7.137 126.342 119.300 -0.158 0.000 2.493 343 C HA 0.918 5.378 4.460 -0.000 0.000 0.326 343 C C -0.341 174.594 174.990 -0.092 0.000 1.200 343 C CA -0.345 58.604 59.018 -0.115 0.000 1.739 343 C CB 0.915 28.681 27.740 0.043 0.000 2.300 343 C HN 0.710 nan 8.230 nan 0.000 0.500 344 V N 2.530 122.387 119.914 -0.096 0.000 3.040 344 V HA 0.706 4.826 4.120 -0.000 0.000 0.312 344 V C -0.852 175.390 176.094 0.246 0.000 1.115 344 V CA -0.889 61.331 62.300 -0.133 0.000 0.998 344 V CB 1.498 33.020 31.823 -0.501 0.000 1.042 344 V HN 1.093 nan 8.190 nan 0.000 0.433 345 W N 5.053 126.436 121.300 0.138 0.000 2.238 345 W HA 0.725 5.385 4.660 -0.000 0.000 0.321 345 W C -0.238 176.519 176.519 0.397 0.000 1.293 345 W CA -0.159 57.368 57.345 0.304 0.000 1.204 345 W CB 0.836 30.422 29.460 0.210 0.000 1.167 345 W HN 0.878 nan 8.180 nan 0.000 0.553 346 I N 3.413 123.778 120.570 -0.341 0.000 3.174 346 I HA 0.631 4.801 4.170 -0.000 0.000 0.313 346 I C -1.083 174.373 176.117 -1.102 0.000 1.155 346 I CA -1.261 59.723 61.300 -0.526 0.000 0.977 346 I CB 2.265 40.246 38.000 -0.031 0.000 1.248 346 I HN 0.714 nan 8.210 nan 0.000 0.453 347 N N 1.165 119.446 118.700 -0.698 0.000 2.934 347 N HA 0.531 5.271 4.740 -0.000 0.000 0.253 347 N C -2.799 172.597 175.510 -0.191 0.000 1.466 347 N CA -1.496 51.284 53.050 -0.450 0.000 0.858 347 N CB 2.579 40.707 38.487 -0.600 0.000 1.459 347 N HN 0.365 nan 8.380 nan 0.000 0.532 348 P HA 0.244 nan 4.420 nan 0.000 0.254 348 P C -1.285 176.111 177.300 0.159 0.000 1.494 348 P CA 0.255 63.193 63.100 -0.271 0.000 0.961 348 P CB -0.391 30.891 31.700 -0.697 0.000 1.493 349 Y N -0.250 120.208 120.300 0.263 0.000 2.598 349 Y HA 0.630 5.180 4.550 -0.000 0.000 0.340 349 Y C 0.249 176.300 175.900 0.252 0.000 1.038 349 Y CA -2.339 55.879 58.100 0.197 0.000 1.100 349 Y CB 1.480 40.057 38.460 0.197 0.000 1.281 349 Y HN -0.254 nan 8.280 nan 0.000 0.488 350 I N 0.737 121.485 120.570 0.297 0.000 2.607 350 I HA 0.649 4.819 4.170 -0.000 0.000 0.290 350 I C -0.162 176.129 176.117 0.289 0.000 1.129 350 I CA -0.601 60.856 61.300 0.261 0.000 1.042 350 I CB 1.624 39.687 38.000 0.105 0.000 1.242 350 I HN 0.791 nan 8.210 nan 0.000 0.421 351 G N 4.424 113.354 108.800 0.216 0.000 2.442 351 G HA2 0.086 4.046 3.960 -0.000 0.000 0.249 351 G HA3 0.086 4.046 3.960 -0.000 0.000 0.249 351 G C 0.314 175.172 174.900 -0.069 0.000 1.263 351 G CA -0.208 44.928 45.100 0.060 0.000 0.846 351 G HN 0.851 nan 8.290 nan 0.000 0.555 352 Q N 1.175 120.718 119.800 -0.429 0.000 2.226 352 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 352 Q C 2.238 177.938 176.000 -0.500 0.000 0.975 352 Q CA 1.456 56.635 55.803 -1.040 0.000 0.866 352 Q CB -0.029 28.111 28.738 -0.996 0.000 0.915 352 Q HN 0.714 nan 8.270 nan 0.000 0.440 353 K N 0.178 120.424 120.400 -0.257 0.000 2.209 353 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 353 K C 0.569 177.147 176.600 -0.037 0.000 1.048 353 K CA 0.532 56.739 56.287 -0.133 0.000 0.940 353 K CB -0.060 32.397 32.500 -0.073 0.000 0.729 353 K HN 0.012 nan 8.250 nan 0.000 0.451 354 S N 1.326 117.036 115.700 0.018 0.000 2.575 354 S HA 0.030 4.500 4.470 -0.000 0.000 0.295 354 S C -1.846 172.836 174.600 0.138 0.000 1.267 354 S CA -1.271 56.994 58.200 0.109 0.000 1.074 354 S CB 0.811 64.122 63.200 0.185 0.000 0.829 354 S HN 0.102 nan 8.310 nan 0.000 0.497 355 P HA -0.105 nan 4.420 nan 0.000 0.218 355 P C 1.310 178.720 177.300 0.184 0.000 1.146 355 P CA 0.705 63.888 63.100 0.139 0.000 0.813 355 P CB 0.032 31.810 31.700 0.130 0.000 0.778 356 V N -1.505 118.549 119.914 0.234 0.000 2.667 356 V HA -0.199 3.921 4.120 -0.000 0.000 0.252 356 V C 2.055 178.268 176.094 0.198 0.000 1.065 356 V CA 1.203 63.671 62.300 0.279 0.000 1.083 356 V CB -1.286 30.789 31.823 0.420 0.000 0.692 356 V HN 0.032 nan 8.190 nan 0.000 0.468 357 F N 1.528 121.503 119.950 0.043 0.000 2.091 357 F HA -0.266 4.261 4.527 -0.000 0.000 0.299 357 F C 2.489 178.254 175.800 -0.059 0.000 1.103 357 F CA 2.456 60.438 58.000 -0.030 0.000 1.228 357 F CB -0.155 38.828 39.000 -0.028 0.000 0.984 357 F HN 0.014 nan 8.300 nan 0.000 0.477 358 K N 0.369 120.907 120.400 0.230 0.000 2.057 358 K HA -0.257 4.062 4.320 -0.000 0.000 0.207 358 K C 2.246 178.822 176.600 -0.039 0.000 1.049 358 K CA 1.716 58.067 56.287 0.106 0.000 0.931 358 K CB -0.405 32.166 32.500 0.119 0.000 0.714 358 K HN 0.472 nan 8.250 nan 0.000 0.440 359 E N 0.695 120.882 120.200 -0.023 0.000 2.049 359 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 359 E C 2.025 178.467 176.600 -0.262 0.000 1.007 359 E CA 1.535 57.891 56.400 -0.074 0.000 0.809 359 E CB -0.108 29.622 29.700 0.049 0.000 0.749 359 E HN 0.352 nan 8.360 nan 0.000 0.450 360 L N 0.480 121.493 121.223 -0.351 0.000 2.093 360 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 360 L C 2.925 179.512 176.870 -0.473 0.000 1.085 360 L CA 1.303 55.832 54.840 -0.519 0.000 0.755 360 L CB -0.474 41.263 42.059 -0.537 0.000 0.904 360 L HN 0.298 nan 8.230 nan 0.000 0.435 361 Q N 0.561 120.103 119.800 -0.430 0.000 2.046 361 Q HA -0.235 4.105 4.340 -0.000 0.000 0.200 361 Q C 2.042 177.905 176.000 -0.229 0.000 0.975 361 Q CA 1.718 57.317 55.803 -0.339 0.000 0.836 361 Q CB 0.053 28.629 28.738 -0.271 0.000 0.896 361 Q HN 0.505 nan 8.270 nan 0.000 0.428 362 E N 0.251 120.332 120.200 -0.199 0.000 2.110 362 E HA -0.186 4.163 4.350 -0.000 0.000 0.193 362 E C 1.918 178.392 176.600 -0.211 0.000 0.988 362 E CA 1.206 57.513 56.400 -0.155 0.000 0.804 362 E CB 0.076 29.709 29.700 -0.111 0.000 0.745 362 E HN 0.291 nan 8.360 nan 0.000 0.458 363 K N -0.720 119.450 120.400 -0.383 0.000 2.365 363 K HA 0.004 4.324 4.320 -0.000 0.000 0.199 363 K C 1.048 177.389 176.600 -0.433 0.000 1.045 363 K CA 0.597 56.535 56.287 -0.581 0.000 0.962 363 K CB 0.342 32.080 32.500 -1.271 0.000 0.759 363 K HN 0.257 nan 8.250 nan 0.000 0.469 364 G N 0.863 109.501 108.800 -0.271 0.000 2.142 364 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.225 364 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.225 364 G C 0.146 175.137 174.900 0.152 0.000 1.015 364 G CA -0.201 44.885 45.100 -0.025 0.000 0.716 364 G HN 0.218 nan 8.290 nan 0.000 0.508 365 Y N -0.363 119.856 120.300 -0.136 0.000 2.466 365 Y HA 0.450 5.000 4.550 -0.000 0.000 0.272 365 Y C 1.654 177.472 175.900 -0.136 0.000 1.169 365 Y CA -0.549 57.474 58.100 -0.128 0.000 1.285 365 Y CB 0.129 38.474 38.460 -0.192 0.000 1.078 365 Y HN 0.317 nan 8.280 nan 0.000 0.523 366 L N 0.281 121.480 121.223 -0.040 0.000 2.331 366 L HA 0.321 4.661 4.340 -0.000 0.000 0.275 366 L C -0.337 176.465 176.870 -0.114 0.000 1.022 366 L CA -1.351 53.396 54.840 -0.154 0.000 0.812 366 L CB 1.534 43.412 42.059 -0.302 0.000 1.257 366 L HN -0.198 nan 8.230 nan 0.000 0.435 367 L N 3.293 124.416 121.223 -0.168 0.000 2.601 367 L HA 0.025 4.364 4.340 -0.000 0.000 0.277 367 L C -0.144 176.628 176.870 -0.163 0.000 1.219 367 L CA 0.909 55.587 54.840 -0.270 0.000 0.915 367 L CB -0.240 41.520 42.059 -0.499 0.000 1.160 367 L HN 0.485 nan 8.230 nan 0.000 0.494 368 K N 5.165 125.469 120.400 -0.159 0.000 2.166 368 K HA 0.526 4.846 4.320 -0.000 0.000 0.245 368 K C -0.253 176.302 176.600 -0.074 0.000 0.967 368 K CA -0.935 55.310 56.287 -0.071 0.000 0.863 368 K CB 1.508 33.984 32.500 -0.040 0.000 1.107 368 K HN 0.553 nan 8.250 nan 0.000 0.436 369 R N 1.103 121.603 120.500 0.001 0.000 2.637 369 R HA 0.064 4.404 4.340 -0.000 0.000 0.269 369 R C -1.759 174.536 176.300 -0.008 0.000 1.089 369 R CA -1.598 54.511 56.100 0.015 0.000 1.177 369 R CB -0.034 30.294 30.300 0.047 0.000 1.091 369 R HN 0.345 nan 8.270 nan 0.000 0.540 370 P HA -0.188 nan 4.420 nan 0.000 0.218 370 P C 0.387 177.689 177.300 0.003 0.000 1.148 370 P CA 1.345 64.446 63.100 0.001 0.000 0.822 370 P CB 0.071 31.778 31.700 0.013 0.000 0.784 371 D N -1.711 118.692 120.400 0.006 0.000 2.371 371 D HA 0.001 4.641 4.640 -0.000 0.000 0.221 371 D C 1.508 177.808 176.300 0.000 0.000 0.986 371 D CA 1.049 55.051 54.000 0.004 0.000 0.899 371 D CB -0.898 39.905 40.800 0.004 0.000 0.902 371 D HN 0.261 nan 8.370 nan 0.000 0.530 372 G N -0.120 108.679 108.800 -0.002 0.000 2.234 372 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.235 372 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.235 372 G C 0.450 175.346 174.900 -0.007 0.000 0.997 372 G CA 0.399 45.497 45.100 -0.003 0.000 0.623 372 G HN 0.870 nan 8.290 nan 0.000 0.514 373 S N 0.698 116.394 115.700 -0.007 0.000 2.614 373 S HA 0.684 5.154 4.470 -0.000 0.000 0.265 373 S C 0.638 175.233 174.600 -0.009 0.000 1.303 373 S CA -0.661 57.533 58.200 -0.010 0.000 1.000 373 S CB 1.096 64.289 63.200 -0.013 0.000 0.935 373 S HN 0.753 nan 8.310 nan 0.000 0.551 374 L N 1.187 122.402 121.223 -0.012 0.000 2.416 374 L HA 0.199 4.538 4.340 -0.000 0.000 0.272 374 L C 0.159 177.031 176.870 0.003 0.000 1.161 374 L CA -0.562 54.276 54.840 -0.004 0.000 0.845 374 L CB 0.127 42.189 42.059 0.004 0.000 1.119 374 L HN 0.832 nan 8.230 nan 0.000 0.464 375 W N 4.847 126.063 121.300 -0.140 0.000 2.368 375 W HA 0.197 4.857 4.660 -0.000 0.000 0.316 375 W C -0.279 176.155 176.519 -0.142 0.000 1.375 375 W CA 0.087 57.332 57.345 -0.167 0.000 1.261 375 W CB 0.306 29.608 29.460 -0.262 0.000 1.298 375 W HN 0.461 nan 8.180 nan 0.000 0.539 376 Q N 5.751 125.027 119.800 -0.873 0.000 2.379 376 Q HA 0.385 4.725 4.340 -0.000 0.000 0.278 376 Q C -0.884 174.579 176.000 -0.895 0.000 1.068 376 Q CA -0.916 54.478 55.803 -0.681 0.000 0.816 376 Q CB 2.416 31.011 28.738 -0.239 0.000 1.387 376 Q HN 0.560 nan 8.270 nan 0.000 0.413 377 W N 0.374 121.232 121.300 -0.736 0.000 3.179 377 W HA 0.536 5.196 4.660 -0.000 0.000 0.372 377 W C -0.882 175.510 176.519 -0.211 0.000 1.137 377 W CA -0.984 56.098 57.345 -0.438 0.000 1.100 377 W CB -0.083 29.148 29.460 -0.382 0.000 1.503 377 W HN 0.470 nan 8.180 nan 0.000 0.601 378 D N 0.313 120.686 120.400 -0.044 0.000 2.440 378 D HA 0.128 4.768 4.640 -0.000 0.000 0.216 378 D C -0.294 175.870 176.300 -0.227 0.000 1.150 378 D CA 0.068 53.994 54.000 -0.124 0.000 0.832 378 D CB 0.522 41.240 40.800 -0.137 0.000 0.992 378 D HN 0.141 nan 8.370 nan 0.000 0.502 379 K N 0.236 120.282 120.400 -0.590 0.000 2.270 379 K HA 0.046 4.366 4.320 -0.000 0.000 0.276 379 K C 0.659 177.342 176.600 0.137 0.000 1.023 379 K CA -0.437 55.594 56.287 -0.426 0.000 0.955 379 K CB 1.653 33.562 32.500 -0.986 0.000 0.975 379 K HN 0.087 nan 8.250 nan 0.000 0.471 380 W N 0.323 121.660 121.300 0.062 0.000 0.764 380 W HA -0.377 4.283 4.660 -0.000 0.000 0.224 380 W C -0.740 175.861 176.519 0.136 0.000 1.033 380 W CA 1.633 59.093 57.345 0.192 0.000 0.992 380 W CB -0.460 29.152 29.460 0.253 0.000 1.776 380 W HN 0.557 nan 8.180 nan 0.000 0.507 381 Q N 0.346 120.174 119.800 0.047 0.000 2.423 381 Q HA 0.432 4.772 4.340 -0.000 0.000 0.278 381 Q C -2.332 173.637 176.000 -0.051 0.000 1.097 381 Q CA -1.775 53.957 55.803 -0.117 0.000 0.809 381 Q CB 1.594 30.287 28.738 -0.075 0.000 1.391 381 Q HN -0.119 nan 8.270 nan 0.000 0.428 382 P HA 0.062 nan 4.420 nan 0.000 0.268 382 P C 0.445 177.638 177.300 -0.178 0.000 1.204 382 P CA 0.637 63.606 63.100 -0.219 0.000 0.768 382 P CB 0.336 31.791 31.700 -0.410 0.000 0.842 383 G N 2.609 111.320 108.800 -0.149 0.000 2.283 383 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.280 383 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.280 383 G C 0.005 174.878 174.900 -0.046 0.000 1.029 383 G CA -0.057 44.949 45.100 -0.157 0.000 0.840 383 G HN 0.624 nan 8.290 nan 0.000 0.505 384 L N -0.008 121.267 121.223 0.086 0.000 2.490 384 L HA 0.568 4.908 4.340 -0.000 0.000 0.274 384 L C 0.655 177.644 176.870 0.198 0.000 1.201 384 L CA 0.371 55.335 54.840 0.207 0.000 0.869 384 L CB 0.607 42.869 42.059 0.339 0.000 1.123 384 L HN 0.558 nan 8.230 nan 0.000 0.484 385 A N 6.055 129.024 122.820 0.248 0.000 2.387 385 A HA 0.810 5.130 4.320 -0.000 0.000 0.298 385 A C -0.867 176.754 177.584 0.062 0.000 1.165 385 A CA -0.768 51.366 52.037 0.162 0.000 0.814 385 A CB 1.147 20.193 19.000 0.076 0.000 1.357 385 A HN 0.697 nan 8.150 nan 0.000 0.443 386 I N 0.255 120.799 120.570 -0.043 0.000 2.465 386 I HA 0.268 4.438 4.170 -0.000 0.000 0.291 386 I C -1.269 174.740 176.117 -0.181 0.000 1.014 386 I CA -0.449 60.806 61.300 -0.076 0.000 1.093 386 I CB 1.615 39.470 38.000 -0.242 0.000 1.267 386 I HN 0.625 nan 8.210 nan 0.000 0.431 387 Y N 3.609 123.823 120.300 -0.144 0.000 2.544 387 Y HA -0.020 4.530 4.550 -0.000 0.000 0.330 387 Y C 0.745 176.397 175.900 -0.413 0.000 1.136 387 Y CA 0.135 58.046 58.100 -0.315 0.000 1.417 387 Y CB 0.202 38.344 38.460 -0.530 0.000 1.229 387 Y HN 0.434 nan 8.280 nan 0.000 0.532 388 D N 4.601 124.984 120.400 -0.028 0.000 2.453 388 D HA 0.046 4.686 4.640 -0.000 0.000 0.223 388 D C 0.078 176.493 176.300 0.191 0.000 1.183 388 D CA 0.049 54.143 54.000 0.158 0.000 0.933 388 D CB -0.226 40.673 40.800 0.165 0.000 1.038 388 D HN 0.559 nan 8.370 nan 0.000 0.513 389 F N 1.134 121.241 119.950 0.261 0.000 2.802 389 F HA -0.071 4.456 4.527 -0.000 0.000 0.300 389 F C 2.379 178.193 175.800 0.023 0.000 1.168 389 F CA 0.264 58.268 58.000 0.006 0.000 1.433 389 F CB 0.276 39.139 39.000 -0.229 0.000 1.115 389 F HN 0.333 nan 8.300 nan 0.000 0.582 390 T N -3.478 111.265 114.554 0.316 0.000 3.081 390 T HA -0.023 4.327 4.350 -0.000 0.000 0.250 390 T C 0.661 175.477 174.700 0.194 0.000 1.100 390 T CA -0.149 62.107 62.100 0.259 0.000 1.038 390 T CB -0.275 68.788 68.868 0.325 0.000 0.962 390 T HN -0.020 nan 8.240 nan 0.000 0.516 391 N N 2.457 121.160 118.700 0.005 0.000 2.420 391 N HA 0.300 5.040 4.740 -0.000 0.000 0.249 391 N C -2.164 173.132 175.510 -0.355 0.000 1.033 391 N CA -2.393 50.327 53.050 -0.550 0.000 0.944 391 N CB 1.948 40.116 38.487 -0.532 0.000 1.113 391 N HN -0.018 nan 8.380 nan 0.000 0.502 392 P HA -0.065 nan 4.420 nan 0.000 0.216 392 P C 0.454 177.635 177.300 -0.197 0.000 1.150 392 P CA 1.018 64.018 63.100 -0.167 0.000 0.837 392 P CB 0.453 32.098 31.700 -0.092 0.000 0.786 393 D N -0.619 119.608 120.400 -0.287 0.000 2.144 393 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 393 D C 1.987 177.883 176.300 -0.673 0.000 0.984 393 D CA 1.482 55.287 54.000 -0.324 0.000 0.834 393 D CB -0.704 39.996 40.800 -0.166 0.000 0.955 393 D HN 0.087 nan 8.370 nan 0.000 0.465 394 A N 0.244 122.571 122.820 -0.823 0.000 1.930 394 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 394 A C 2.518 180.074 177.584 -0.047 0.000 1.175 394 A CA 1.015 52.660 52.037 -0.654 0.000 0.627 394 A CB -0.856 17.964 19.000 -0.301 0.000 0.815 394 A HN 0.323 nan 8.150 nan 0.000 0.443 395 C N -0.590 118.702 119.300 -0.013 0.000 2.413 395 C HA -0.101 4.359 4.460 -0.000 0.000 0.277 395 C C 2.711 177.719 174.990 0.030 0.000 1.228 395 C CA 1.428 60.466 59.018 0.033 0.000 1.731 395 C CB -0.924 26.782 27.740 -0.056 0.000 2.042 395 C HN 0.702 nan 8.230 nan 0.000 0.468 396 K N -0.828 119.567 120.400 -0.009 0.000 2.063 396 K HA -0.244 4.076 4.320 -0.000 0.000 0.208 396 K C 2.041 178.689 176.600 0.080 0.000 1.048 396 K CA 1.957 58.250 56.287 0.010 0.000 0.928 396 K CB -0.382 32.119 32.500 0.001 0.000 0.713 396 K HN 0.723 nan 8.250 nan 0.000 0.442 397 W N 0.427 121.695 121.300 -0.053 0.000 2.338 397 W HA -0.293 4.367 4.660 -0.000 0.000 0.304 397 W C 2.000 178.521 176.519 0.002 0.000 1.212 397 W CA 1.880 59.246 57.345 0.035 0.000 1.264 397 W CB -0.393 29.162 29.460 0.158 0.000 1.142 397 W HN 0.196 nan 8.180 nan 0.000 0.512 398 Y N 0.634 121.101 120.300 0.277 0.000 2.163 398 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 398 Y C 2.441 178.157 175.900 -0.306 0.000 1.136 398 Y CA 2.665 60.764 58.100 -0.002 0.000 1.147 398 Y CB -0.945 37.560 38.460 0.076 0.000 0.987 398 Y HN -0.010 nan 8.280 nan 0.000 0.509 399 A N 0.200 123.012 122.820 -0.013 0.000 1.892 399 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 399 A C 1.900 179.329 177.584 -0.258 0.000 1.188 399 A CA 2.233 54.180 52.037 -0.149 0.000 0.631 399 A CB -0.930 18.008 19.000 -0.102 0.000 0.822 399 A HN 0.533 nan 8.150 nan 0.000 0.447 400 D N -0.340 119.908 120.400 -0.254 0.000 2.144 400 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 400 D C 1.917 177.968 176.300 -0.415 0.000 0.984 400 D CA 0.982 54.814 54.000 -0.281 0.000 0.834 400 D CB -0.157 40.496 40.800 -0.246 0.000 0.955 400 D HN 0.269 nan 8.370 nan 0.000 0.465 401 K N 0.489 120.488 120.400 -0.668 0.000 2.057 401 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 401 K C 2.368 178.553 176.600 -0.691 0.000 1.049 401 K CA 0.348 56.142 56.287 -0.821 0.000 0.931 401 K CB -0.573 31.031 32.500 -1.492 0.000 0.714 401 K HN 0.267 nan 8.250 nan 0.000 0.440 402 L N 0.957 121.738 121.223 -0.738 0.000 2.046 402 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 402 L C 2.415 179.190 176.870 -0.158 0.000 1.077 402 L CA 1.359 55.905 54.840 -0.490 0.000 0.747 402 L CB -0.357 41.366 42.059 -0.560 0.000 0.896 402 L HN 0.176 nan 8.230 nan 0.000 0.432 403 K N -0.049 120.241 120.400 -0.184 0.000 2.103 403 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 403 K C 2.126 178.679 176.600 -0.079 0.000 1.048 403 K CA 1.262 57.488 56.287 -0.102 0.000 0.930 403 K CB -0.468 31.961 32.500 -0.118 0.000 0.716 403 K HN 0.413 nan 8.250 nan 0.000 0.444 404 G N 1.441 110.172 108.800 -0.116 0.000 2.418 404 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 404 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 404 G C 1.473 176.370 174.900 -0.005 0.000 1.158 404 G CA 0.627 45.686 45.100 -0.067 0.000 0.771 404 G HN 0.103 nan 8.290 nan 0.000 0.545 405 L N 0.164 121.403 121.223 0.027 0.000 2.056 405 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 405 L C 2.985 179.880 176.870 0.041 0.000 1.078 405 L CA 0.336 55.236 54.840 0.100 0.000 0.749 405 L CB -0.515 41.662 42.059 0.196 0.000 0.901 405 L HN 0.076 nan 8.230 nan 0.000 0.433 406 V N 0.347 120.289 119.914 0.046 0.000 2.343 406 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 406 V C 2.706 178.769 176.094 -0.052 0.000 1.051 406 V CA 1.819 64.102 62.300 -0.028 0.000 1.036 406 V CB -0.899 30.918 31.823 -0.011 0.000 0.654 406 V HN 0.494 nan 8.190 nan 0.000 0.451 407 A N -1.352 121.444 122.820 -0.040 0.000 2.178 407 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 407 A C 2.134 179.684 177.584 -0.057 0.000 1.157 407 A CA 1.716 53.723 52.037 -0.049 0.000 0.689 407 A CB -0.493 18.481 19.000 -0.044 0.000 0.787 407 A HN 0.527 nan 8.150 nan 0.000 0.465 408 M N -1.947 117.620 119.600 -0.055 0.000 2.441 408 M HA 0.205 4.685 4.480 -0.000 0.000 0.244 408 M C 1.198 177.433 176.300 -0.108 0.000 1.122 408 M CA 0.914 56.167 55.300 -0.078 0.000 1.041 408 M CB 0.516 33.085 32.600 -0.052 0.000 1.438 408 M HN 0.594 nan 8.290 nan 0.000 0.484 409 G N 0.252 108.989 108.800 -0.105 0.000 2.184 409 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.206 409 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.206 409 G C -0.070 174.738 174.900 -0.153 0.000 0.995 409 G CA -0.148 44.875 45.100 -0.128 0.000 0.651 409 G HN 0.254 nan 8.290 nan 0.000 0.511 410 V N 1.736 121.557 119.914 -0.155 0.000 2.585 410 V HA 0.244 4.364 4.120 -0.000 0.000 0.296 410 V C 1.005 176.917 176.094 -0.303 0.000 1.035 410 V CA 0.823 62.982 62.300 -0.235 0.000 1.084 410 V CB 1.361 33.031 31.823 -0.255 0.000 0.953 410 V HN 0.304 nan 8.190 nan 0.000 0.483 411 D N 2.141 122.339 120.400 -0.338 0.000 2.392 411 D HA 0.177 4.817 4.640 -0.000 0.000 0.206 411 D C 0.382 176.526 176.300 -0.261 0.000 1.046 411 D CA 0.793 54.627 54.000 -0.278 0.000 0.865 411 D CB 0.859 41.455 40.800 -0.340 0.000 0.969 411 D HN 0.784 nan 8.370 nan 0.000 0.509 412 C N -1.402 117.609 119.300 -0.483 0.000 3.231 412 C HA 0.691 5.151 4.460 -0.000 0.000 0.343 412 C C -1.747 172.840 174.990 -0.672 0.000 1.349 412 C CA -1.417 57.357 59.018 -0.406 0.000 1.209 412 C CB 0.419 28.208 27.740 0.082 0.000 1.475 412 C HN -0.036 nan 8.230 nan 0.000 0.460 413 F N 0.680 120.681 119.950 0.086 0.000 2.576 413 F HA 0.629 5.156 4.527 -0.000 0.000 0.313 413 F C 0.181 176.015 175.800 0.057 0.000 1.078 413 F CA -0.679 57.358 58.000 0.061 0.000 0.921 413 F CB 1.754 40.769 39.000 0.025 0.000 1.232 413 F HN 0.763 nan 8.300 nan 0.000 0.459 414 K N 2.000 122.544 120.400 0.240 0.000 2.250 414 K HA 0.182 4.501 4.320 -0.000 0.000 0.285 414 K C -0.270 176.296 176.600 -0.056 0.000 1.097 414 K CA -0.261 56.054 56.287 0.046 0.000 0.913 414 K CB 0.443 32.918 32.500 -0.042 0.000 1.179 414 K HN 0.778 nan 8.250 nan 0.000 0.462 415 T N 1.252 115.762 114.554 -0.073 0.000 3.462 415 T HA 0.047 4.397 4.350 -0.000 0.000 0.257 415 T C 0.054 174.705 174.700 -0.082 0.000 1.015 415 T CA -0.710 61.301 62.100 -0.149 0.000 1.135 415 T CB -0.050 68.560 68.868 -0.430 0.000 1.061 415 T HN 0.370 nan 8.240 nan 0.000 0.772 416 D N 1.120 121.443 120.400 -0.128 0.000 2.354 416 D HA 0.487 5.127 4.640 -0.000 0.000 0.247 416 D C 0.728 177.130 176.300 0.170 0.000 1.138 416 D CA -0.806 53.146 54.000 -0.080 0.000 0.958 416 D CB 0.275 40.992 40.800 -0.139 0.000 1.144 416 D HN 0.387 nan 8.370 nan 0.000 0.458 417 F N -0.012 119.885 119.950 -0.087 0.000 2.182 417 F HA -0.216 4.310 4.527 -0.000 0.000 0.318 417 F C 1.817 177.666 175.800 0.081 0.000 0.130 417 F CA 1.416 59.384 58.000 -0.053 0.000 0.911 417 F CB -1.493 37.366 39.000 -0.236 0.000 4.132 417 F HN 0.579 nan 8.300 nan 0.000 0.139 418 G N -1.068 107.898 108.800 0.278 0.000 2.176 418 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 418 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 418 G C 0.526 175.596 174.900 0.284 0.000 0.986 418 G CA 0.741 46.035 45.100 0.323 0.000 0.643 418 G HN 0.709 nan 8.290 nan 0.000 0.522 419 E N 0.139 120.511 120.200 0.288 0.000 2.075 419 E HA 0.210 4.560 4.350 -0.000 0.000 0.190 419 E C 1.740 178.340 176.600 -0.000 0.000 0.969 419 E CA 0.347 56.826 56.400 0.132 0.000 0.815 419 E CB -0.032 29.817 29.700 0.248 0.000 0.776 419 E HN 0.399 nan 8.360 nan 0.000 0.457 420 R N 1.531 122.149 120.500 0.197 0.000 4.164 420 R HA 0.117 4.457 4.340 -0.000 0.000 0.195 420 R C -0.553 175.677 176.300 -0.116 0.000 1.712 420 R CA -0.082 56.129 56.100 0.185 0.000 1.457 420 R CB -0.182 30.371 30.300 0.421 0.000 1.387 420 R HN 0.094 nan 8.270 nan 0.000 0.785 421 I N 4.091 124.534 120.570 -0.212 0.000 2.312 421 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 421 I C -1.589 174.439 176.117 -0.148 0.000 1.031 421 I CA -3.190 57.910 61.300 -0.332 0.000 1.293 421 I CB 0.613 38.388 38.000 -0.375 0.000 1.403 421 I HN 0.114 nan 8.210 nan 0.000 0.484 422 P HA 0.182 nan 4.420 nan 0.000 0.274 422 P C 0.422 177.618 177.300 -0.174 0.000 1.246 422 P CA -0.028 62.804 63.100 -0.445 0.000 0.795 422 P CB 1.009 32.022 31.700 -1.145 0.000 1.006 423 T N -4.398 110.149 114.554 -0.012 0.000 2.971 423 T HA 0.026 4.376 4.350 -0.000 0.000 0.252 423 T C 0.518 175.242 174.700 0.040 0.000 1.022 423 T CA -0.098 62.061 62.100 0.098 0.000 0.980 423 T CB -0.541 68.449 68.868 0.203 0.000 1.044 423 T HN 0.389 nan 8.240 nan 0.000 0.501 424 D N 3.315 123.721 120.400 0.009 0.000 2.801 424 D HA 0.312 4.952 4.640 -0.000 0.000 0.232 424 D C 0.457 176.752 176.300 -0.009 0.000 1.128 424 D CA -0.370 53.654 54.000 0.039 0.000 1.003 424 D CB -0.043 40.821 40.800 0.106 0.000 1.110 424 D HN 0.528 nan 8.370 nan 0.000 0.477 425 V N -3.076 116.785 119.914 -0.087 0.000 3.202 425 V HA 0.583 4.703 4.120 -0.000 0.000 0.306 425 V C -1.412 174.582 176.094 -0.165 0.000 1.283 425 V CA -1.239 60.941 62.300 -0.200 0.000 1.065 425 V CB 2.045 33.554 31.823 -0.523 0.000 1.079 425 V HN 0.151 nan 8.190 nan 0.000 0.448 426 Q N 0.586 120.264 119.800 -0.204 0.000 2.320 426 Q HA 0.451 4.791 4.340 -0.000 0.000 0.268 426 Q C -1.842 174.088 176.000 -0.116 0.000 1.023 426 Q CA -0.457 55.294 55.803 -0.086 0.000 0.744 426 Q CB 1.480 30.204 28.738 -0.024 0.000 1.246 426 Q HN 0.795 nan 8.270 nan 0.000 0.462 427 W N 3.547 124.876 121.300 0.047 0.000 2.190 427 W HA 0.116 4.776 4.660 -0.000 0.000 0.330 427 W C 1.143 177.730 176.519 0.113 0.000 1.299 427 W CA -0.456 56.945 57.345 0.094 0.000 1.215 427 W CB 0.320 29.842 29.460 0.104 0.000 1.147 427 W HN 0.745 nan 8.180 nan 0.000 0.563 428 F N 2.882 122.999 119.950 0.279 0.000 2.082 428 F HA -0.427 4.100 4.527 -0.000 0.000 0.298 428 F C 2.231 178.139 175.800 0.181 0.000 1.091 428 F CA 2.605 60.721 58.000 0.194 0.000 1.230 428 F CB -0.116 38.995 39.000 0.186 0.000 0.983 428 F HN 0.425 nan 8.300 nan 0.000 0.485 429 D N -1.016 119.595 120.400 0.352 0.000 2.340 429 D HA 0.100 4.740 4.640 -0.000 0.000 0.220 429 D C 1.737 178.099 176.300 0.103 0.000 1.039 429 D CA 0.854 54.972 54.000 0.198 0.000 0.866 429 D CB -0.647 40.299 40.800 0.243 0.000 0.913 429 D HN 0.501 nan 8.370 nan 0.000 0.523 430 G N -0.058 108.821 108.800 0.132 0.000 2.155 430 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.257 430 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.257 430 G C 0.380 175.349 174.900 0.115 0.000 0.983 430 G CA 0.341 45.506 45.100 0.107 0.000 0.676 430 G HN 0.447 nan 8.290 nan 0.000 0.528 431 S N 0.265 116.036 115.700 0.119 0.000 2.559 431 S HA 0.257 4.727 4.470 -0.000 0.000 0.282 431 S C 0.538 175.187 174.600 0.080 0.000 1.336 431 S CA 0.237 58.451 58.200 0.023 0.000 1.037 431 S CB 0.741 63.851 63.200 -0.151 0.000 0.853 431 S HN 0.473 nan 8.310 nan 0.000 0.523 432 D N 2.238 122.656 120.400 0.030 0.000 2.412 432 D HA 0.121 4.761 4.640 -0.000 0.000 0.257 432 D C -1.662 174.720 176.300 0.136 0.000 1.217 432 D CA -1.827 52.225 54.000 0.086 0.000 0.897 432 D CB 0.970 41.804 40.800 0.057 0.000 1.132 432 D HN 0.100 nan 8.370 nan 0.000 0.493 433 P HA -0.119 nan 4.420 nan 0.000 0.222 433 P C 1.142 178.635 177.300 0.321 0.000 1.147 433 P CA 0.759 64.095 63.100 0.395 0.000 0.790 433 P CB 0.321 32.244 31.700 0.371 0.000 0.780 434 Q N -0.124 119.832 119.800 0.260 0.000 2.172 434 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 434 Q C 1.797 177.996 176.000 0.332 0.000 0.964 434 Q CA 1.349 57.346 55.803 0.323 0.000 0.855 434 Q CB -0.321 28.547 28.738 0.218 0.000 0.918 434 Q HN 0.422 nan 8.270 nan 0.000 0.444 435 K N -0.584 119.930 120.400 0.189 0.000 2.211 435 K HA 0.111 4.431 4.320 -0.000 0.000 0.201 435 K C 1.970 178.628 176.600 0.096 0.000 1.052 435 K CA 0.255 56.609 56.287 0.111 0.000 0.973 435 K CB 0.112 32.602 32.500 -0.017 0.000 0.766 435 K HN 0.090 nan 8.250 nan 0.000 0.466 436 M N 0.448 120.076 119.600 0.046 0.000 2.296 436 M HA -0.116 4.364 4.480 -0.000 0.000 0.265 436 M C 2.030 178.384 176.300 0.089 0.000 1.064 436 M CA 1.570 56.834 55.300 -0.060 0.000 1.109 436 M CB -0.907 31.393 32.600 -0.500 0.000 1.396 436 M HN 0.237 nan 8.290 nan 0.000 0.430 437 H N 1.079 120.168 119.070 0.032 0.000 2.289 437 H HA -0.170 4.386 4.556 -0.000 0.000 0.296 437 H C 1.772 177.027 175.328 -0.122 0.000 1.091 437 H CA 2.566 58.532 56.048 -0.136 0.000 1.274 437 H CB 0.110 29.546 29.762 -0.543 0.000 1.364 437 H HN 0.307 nan 8.280 nan 0.000 0.490 438 N N -0.791 117.900 118.700 -0.014 0.000 2.207 438 N HA -0.130 4.610 4.740 -0.000 0.000 0.182 438 N C 1.847 177.484 175.510 0.211 0.000 1.020 438 N CA 1.330 54.427 53.050 0.078 0.000 0.858 438 N CB -0.632 38.000 38.487 0.241 0.000 0.991 438 N HN 0.507 nan 8.380 nan 0.000 0.427 439 H N -0.482 118.670 119.070 0.137 0.000 2.521 439 H HA -0.052 4.504 4.556 -0.000 0.000 0.286 439 H C 1.690 177.128 175.328 0.183 0.000 1.034 439 H CA 0.938 57.082 56.048 0.159 0.000 1.278 439 H CB -0.244 29.558 29.762 0.067 0.000 1.386 439 H HN 0.255 nan 8.280 nan 0.000 0.567 440 Y N 0.197 120.492 120.300 -0.009 0.000 2.193 440 Y HA -0.284 4.266 4.550 -0.000 0.000 0.285 440 Y C 2.512 178.475 175.900 0.105 0.000 1.166 440 Y CA 1.768 59.870 58.100 0.003 0.000 1.181 440 Y CB -0.591 37.885 38.460 0.026 0.000 0.976 440 Y HN 0.315 nan 8.280 nan 0.000 0.520 441 A N -0.796 122.181 122.820 0.263 0.000 1.933 441 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 441 A C 2.103 179.751 177.584 0.107 0.000 1.175 441 A CA 1.642 53.835 52.037 0.260 0.000 0.628 441 A CB -1.479 17.673 19.000 0.253 0.000 0.814 441 A HN 0.732 nan 8.150 nan 0.000 0.444 442 Y N 0.531 120.793 120.300 -0.063 0.000 2.145 442 Y HA -0.193 4.357 4.550 -0.000 0.000 0.286 442 Y C 2.015 177.781 175.900 -0.224 0.000 1.145 442 Y CA 1.772 59.815 58.100 -0.095 0.000 1.148 442 Y CB -0.080 38.274 38.460 -0.177 0.000 0.981 442 Y HN 0.228 nan 8.280 nan 0.000 0.507 443 I N 0.013 120.426 120.570 -0.260 0.000 2.252 443 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 443 I C 2.373 178.185 176.117 -0.508 0.000 1.102 443 I CA 1.574 62.666 61.300 -0.348 0.000 1.385 443 I CB -1.743 36.101 38.000 -0.260 0.000 1.064 443 I HN 0.434 nan 8.210 nan 0.000 0.414 444 Y N 2.433 122.358 120.300 -0.625 0.000 2.053 444 Y HA -0.327 4.223 4.550 -0.000 0.000 0.277 444 Y C 2.588 178.140 175.900 -0.579 0.000 1.159 444 Y CA 1.901 59.580 58.100 -0.701 0.000 1.125 444 Y CB -0.196 38.071 38.460 -0.322 0.000 0.969 444 Y HN 0.189 nan 8.280 nan 0.000 0.492 445 N N 0.531 118.808 118.700 -0.705 0.000 2.166 445 N HA -0.226 4.514 4.740 -0.000 0.000 0.186 445 N C 1.824 176.742 175.510 -0.987 0.000 1.019 445 N CA 1.602 54.199 53.050 -0.754 0.000 0.856 445 N CB -0.383 37.829 38.487 -0.458 0.000 0.993 445 N HN 0.626 nan 8.380 nan 0.000 0.426 446 E N 1.346 120.802 120.200 -1.240 0.000 2.077 446 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 446 E C 2.216 178.384 176.600 -0.720 0.000 0.989 446 E CA 0.540 56.087 56.400 -1.422 0.000 0.800 446 E CB -0.088 28.988 29.700 -1.038 0.000 0.746 446 E HN 0.261 nan 8.360 nan 0.000 0.452 447 L N 0.560 121.418 121.223 -0.608 0.000 2.012 447 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 447 L C 2.346 179.012 176.870 -0.340 0.000 1.073 447 L CA 1.259 55.821 54.840 -0.463 0.000 0.748 447 L CB -0.145 41.529 42.059 -0.641 0.000 0.891 447 L HN 0.094 nan 8.230 nan 0.000 0.431 448 V N -0.862 118.839 119.914 -0.355 0.000 2.358 448 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 448 V C 2.133 178.158 176.094 -0.116 0.000 1.047 448 V CA 2.039 64.205 62.300 -0.222 0.000 1.035 448 V CB -0.940 30.746 31.823 -0.229 0.000 0.658 448 V HN 0.707 nan 8.190 nan 0.000 0.452 449 W N 1.540 122.606 121.300 -0.391 0.000 2.335 449 W HA -0.231 4.429 4.660 -0.000 0.000 0.311 449 W C 2.279 178.686 176.519 -0.186 0.000 1.213 449 W CA 2.121 59.295 57.345 -0.285 0.000 1.274 449 W CB -0.376 28.786 29.460 -0.497 0.000 1.148 449 W HN 0.346 nan 8.180 nan 0.000 0.498 450 N N 0.463 119.130 118.700 -0.054 0.000 2.166 450 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 450 N C 1.740 177.173 175.510 -0.129 0.000 1.019 450 N CA 1.742 54.746 53.050 -0.077 0.000 0.856 450 N CB -0.903 37.549 38.487 -0.060 0.000 0.993 450 N HN 0.039 nan 8.380 nan 0.000 0.426 451 V N 1.214 121.049 119.914 -0.132 0.000 2.332 451 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 451 V C 2.301 178.333 176.094 -0.102 0.000 1.055 451 V CA 1.150 63.386 62.300 -0.107 0.000 1.038 451 V CB -0.416 31.348 31.823 -0.098 0.000 0.651 451 V HN 0.174 nan 8.190 nan 0.000 0.450 452 L N -0.181 120.955 121.223 -0.144 0.000 1.994 452 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 452 L C 2.387 179.108 176.870 -0.249 0.000 1.071 452 L CA 1.928 56.650 54.840 -0.196 0.000 0.745 452 L CB -1.118 40.751 42.059 -0.316 0.000 0.892 452 L HN 0.280 nan 8.230 nan 0.000 0.431 453 K N -0.532 119.663 120.400 -0.342 0.000 2.044 453 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 453 K C 1.477 178.001 176.600 -0.127 0.000 1.049 453 K CA 1.838 57.978 56.287 -0.244 0.000 0.927 453 K CB -0.053 32.332 32.500 -0.191 0.000 0.713 453 K HN 0.294 nan 8.250 nan 0.000 0.443 454 D N -0.942 119.394 120.400 -0.106 0.000 2.371 454 D HA -0.068 4.572 4.640 -0.000 0.000 0.221 454 D C 1.440 177.701 176.300 -0.065 0.000 0.986 454 D CA 1.264 55.222 54.000 -0.070 0.000 0.899 454 D CB 0.350 41.111 40.800 -0.064 0.000 0.902 454 D HN 0.493 nan 8.370 nan 0.000 0.530 455 T N -2.936 111.573 114.554 -0.075 0.000 3.429 455 T HA -0.010 4.340 4.350 -0.000 0.000 0.212 455 T C 1.984 176.647 174.700 -0.061 0.000 0.980 455 T CA 0.621 62.684 62.100 -0.062 0.000 1.201 455 T CB -0.706 68.129 68.868 -0.055 0.000 1.289 455 T HN -0.071 nan 8.240 nan 0.000 0.346 456 V N 0.571 120.442 119.914 -0.070 0.000 2.759 456 V HA 0.484 4.604 4.120 -0.000 0.000 0.256 456 V C 1.329 177.394 176.094 -0.048 0.000 1.080 456 V CA 0.619 62.886 62.300 -0.056 0.000 1.101 456 V CB -1.737 30.056 31.823 -0.050 0.000 0.698 456 V HN 1.485 nan 8.190 nan 0.000 0.477 457 G N -0.144 108.612 108.800 -0.073 0.000 2.697 457 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 457 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 457 G C 0.030 174.873 174.900 -0.095 0.000 1.179 457 G CA 0.163 45.225 45.100 -0.062 0.000 0.765 457 G HN 0.489 nan 8.290 nan 0.000 0.649 458 E N 0.215 120.369 120.200 -0.076 0.000 2.130 458 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 458 E C 2.136 178.714 176.600 -0.037 0.000 0.998 458 E CA 2.218 58.573 56.400 -0.076 0.000 0.806 458 E CB 0.022 29.737 29.700 0.025 0.000 0.738 458 E HN 0.647 nan 8.360 nan 0.000 0.459 459 E N 0.622 120.826 120.200 0.008 0.000 2.204 459 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 459 E C 1.588 178.206 176.600 0.031 0.000 0.990 459 E CA 1.000 57.427 56.400 0.045 0.000 0.821 459 E CB -0.052 29.687 29.700 0.064 0.000 0.750 459 E HN 0.246 nan 8.360 nan 0.000 0.477 460 E N 0.234 120.441 120.200 0.012 0.000 2.479 460 E HA 0.193 4.543 4.350 -0.000 0.000 0.193 460 E C 0.111 176.695 176.600 -0.026 0.000 1.049 460 E CA 0.273 56.713 56.400 0.068 0.000 0.870 460 E CB 0.162 29.935 29.700 0.121 0.000 0.944 460 E HN 0.217 nan 8.360 nan 0.000 0.492 461 A N 1.221 123.914 122.820 -0.212 0.000 2.450 461 A HA 0.390 4.710 4.320 -0.000 0.000 0.255 461 A C -0.048 177.369 177.584 -0.278 0.000 1.096 461 A CA -0.090 51.660 52.037 -0.480 0.000 0.778 461 A CB 0.724 18.971 19.000 -1.255 0.000 1.031 461 A HN 0.021 nan 8.150 nan 0.000 0.494 462 V N 3.734 123.582 119.914 -0.110 0.000 3.098 462 V HA 0.598 4.718 4.120 -0.000 0.000 0.294 462 V C -1.301 174.916 176.094 0.205 0.000 1.351 462 V CA -0.530 61.835 62.300 0.108 0.000 0.999 462 V CB 1.924 33.732 31.823 -0.025 0.000 1.104 462 V HN 0.914 nan 8.190 nan 0.000 0.438 463 L N 4.034 125.400 121.223 0.239 0.000 2.303 463 L HA 0.689 5.029 4.340 -0.000 0.000 0.256 463 L C -1.627 175.360 176.870 0.196 0.000 1.034 463 L CA -0.684 54.279 54.840 0.207 0.000 0.832 463 L CB 2.407 44.552 42.059 0.143 0.000 1.403 463 L HN 0.538 nan 8.230 nan 0.000 0.419 464 F N 1.155 120.991 119.950 -0.190 0.000 2.434 464 F HA 0.638 5.165 4.527 -0.000 0.000 0.355 464 F C 0.141 175.772 175.800 -0.281 0.000 1.115 464 F CA -0.869 56.924 58.000 -0.344 0.000 1.010 464 F CB 1.621 40.289 39.000 -0.553 0.000 1.234 464 F HN 0.342 nan 8.300 nan 0.000 0.439 465 A N 4.881 127.571 122.820 -0.217 0.000 2.303 465 A HA 0.571 4.891 4.320 -0.000 0.000 0.320 465 A C 1.036 178.570 177.584 -0.084 0.000 1.192 465 A CA -0.597 51.304 52.037 -0.226 0.000 0.821 465 A CB 0.989 19.724 19.000 -0.443 0.000 1.188 465 A HN 0.879 nan 8.150 nan 0.000 0.492 466 R N 1.407 121.891 120.500 -0.027 0.000 2.080 466 R HA 0.019 4.359 4.340 -0.000 0.000 0.222 466 R C 0.881 177.162 176.300 -0.033 0.000 1.107 466 R CA 1.526 57.594 56.100 -0.052 0.000 0.980 466 R CB 0.032 30.235 30.300 -0.162 0.000 0.879 466 R HN 0.819 nan 8.270 nan 0.000 0.439 467 S N -1.055 114.689 115.700 0.074 0.000 2.704 467 S HA 0.846 5.316 4.470 -0.000 0.000 0.305 467 S C -0.641 174.086 174.600 0.213 0.000 1.107 467 S CA -0.489 57.812 58.200 0.168 0.000 0.993 467 S CB 2.329 65.654 63.200 0.209 0.000 1.110 467 S HN 0.287 nan 8.310 nan 0.000 0.534 468 A N 0.127 123.072 122.820 0.208 0.000 2.586 468 A HA 0.895 5.215 4.320 -0.000 0.000 0.290 468 A C -0.517 177.202 177.584 0.227 0.000 1.086 468 A CA -0.432 51.753 52.037 0.246 0.000 0.665 468 A CB 1.050 20.134 19.000 0.141 0.000 1.279 468 A HN 1.540 nan 8.150 nan 0.000 0.423 469 S N -1.171 114.701 115.700 0.286 0.000 2.643 469 S HA 0.563 5.033 4.470 -0.000 0.000 0.270 469 S C -1.118 173.592 174.600 0.184 0.000 1.166 469 S CA -0.163 58.191 58.200 0.256 0.000 0.815 469 S CB 1.114 64.503 63.200 0.316 0.000 1.139 469 S HN 1.581 nan 8.310 nan 0.000 0.472 470 V N 2.836 122.714 119.914 -0.060 0.000 2.584 470 V HA 0.408 4.528 4.120 -0.000 0.000 0.303 470 V C 1.781 177.698 176.094 -0.295 0.000 1.035 470 V CA 2.037 64.130 62.300 -0.346 0.000 1.172 470 V CB -0.124 31.046 31.823 -1.089 0.000 0.896 470 V HN 1.597 nan 8.190 nan 0.000 0.486 471 G N 4.402 113.011 108.800 -0.319 0.000 2.254 471 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 471 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 471 G C 0.971 175.770 174.900 -0.168 0.000 1.003 471 G CA 0.249 45.183 45.100 -0.276 0.000 0.622 471 G HN 1.345 nan 8.290 nan 0.000 0.507 472 A N 1.101 123.939 122.820 0.029 0.000 2.172 472 A HA 0.150 4.470 4.320 -0.000 0.000 0.216 472 A C 2.216 179.651 177.584 -0.248 0.000 1.154 472 A CA 2.092 54.162 52.037 0.055 0.000 0.701 472 A CB -0.379 18.857 19.000 0.393 0.000 0.789 472 A HN 0.959 nan 8.150 nan 0.000 0.465 473 Q N 0.719 120.069 119.800 -0.750 0.000 2.368 473 Q HA -0.171 4.169 4.340 -0.000 0.000 0.210 473 Q C 1.059 176.699 176.000 -0.600 0.000 0.982 473 Q CA 1.636 56.892 55.803 -0.912 0.000 0.884 473 Q CB -0.515 27.384 28.738 -1.399 0.000 0.933 473 Q HN 0.655 nan 8.270 nan 0.000 0.460 474 K N 0.127 120.002 120.400 -0.875 0.000 2.439 474 K HA 0.009 4.329 4.320 -0.000 0.000 0.197 474 K C -0.329 175.435 176.600 -1.394 0.000 1.041 474 K CA 0.432 56.072 56.287 -1.079 0.000 0.970 474 K CB 0.122 31.830 32.500 -1.319 0.000 0.773 474 K HN 0.172 nan 8.250 nan 0.000 0.479 475 F N 1.622 121.150 119.950 -0.702 0.000 2.471 475 F HA 0.274 4.801 4.527 -0.000 0.000 0.318 475 F C -2.287 173.267 175.800 -0.411 0.000 1.308 475 F CA -3.599 53.761 58.000 -1.068 0.000 1.162 475 F CB 0.147 38.712 39.000 -0.725 0.000 1.383 475 F HN -0.165 nan 8.300 nan 0.000 0.552 476 P HA 0.172 nan 4.420 nan 0.000 0.272 476 P C -0.204 177.072 177.300 -0.040 0.000 1.230 476 P CA 0.035 63.135 63.100 0.001 0.000 0.788 476 P CB 2.228 33.933 31.700 0.009 0.000 0.949 477 V N 1.824 121.608 119.914 -0.217 0.000 2.881 477 V HA 0.301 4.421 4.120 -0.000 0.000 0.316 477 V C 0.426 176.265 176.094 -0.426 0.000 1.070 477 V CA -0.696 61.408 62.300 -0.326 0.000 0.976 477 V CB 1.219 32.605 31.823 -0.729 0.000 1.038 477 V HN 0.572 nan 8.190 nan 0.000 0.446 478 H N 1.101 120.082 119.070 -0.148 0.000 2.488 478 H HA 0.198 4.754 4.556 -0.000 0.000 0.322 478 H C -1.289 173.878 175.328 -0.269 0.000 1.078 478 H CA -0.326 55.656 56.048 -0.110 0.000 1.260 478 H CB 1.586 31.351 29.762 0.005 0.000 1.425 478 H HN 0.771 nan 8.280 nan 0.000 0.471 479 W N 3.365 124.383 121.300 -0.470 0.000 2.391 479 W HA 0.349 5.009 4.660 -0.000 0.000 0.311 479 W C 0.804 177.106 176.519 -0.361 0.000 1.087 479 W CA -0.826 56.136 57.345 -0.639 0.000 1.209 479 W CB 1.081 30.145 29.460 -0.659 0.000 1.273 479 W HN 0.741 nan 8.180 nan 0.000 0.482 480 G N 3.558 111.666 108.800 -1.152 0.000 2.776 480 G HA2 0.334 4.294 3.960 -0.000 0.000 0.209 480 G HA3 0.334 4.294 3.960 -0.000 0.000 0.209 480 G C 0.686 175.184 174.900 -0.670 0.000 1.145 480 G CA 0.597 45.379 45.100 -0.531 0.000 0.791 480 G HN 1.361 nan 8.290 nan 0.000 0.530 481 G N -0.167 107.562 108.800 -1.784 0.000 2.627 481 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.214 481 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.214 481 G C -0.992 173.377 174.900 -0.886 0.000 1.331 481 G CA -0.337 43.933 45.100 -1.382 0.000 0.891 481 G HN 0.200 nan 8.290 nan 0.000 0.539 482 D N 0.202 120.381 120.400 -0.368 0.000 2.295 482 D HA 0.473 5.113 4.640 -0.000 0.000 0.248 482 D C 0.096 176.324 176.300 -0.120 0.000 1.154 482 D CA 0.387 54.267 54.000 -0.199 0.000 0.857 482 D CB 1.003 41.743 40.800 -0.099 0.000 1.117 482 D HN 0.619 nan 8.370 nan 0.000 0.468 483 C N 2.652 121.934 119.300 -0.030 0.000 2.507 483 C HA 0.350 4.810 4.460 -0.000 0.000 0.319 483 C C -0.014 175.012 174.990 0.060 0.000 1.208 483 C CA -0.985 58.065 59.018 0.052 0.000 1.619 483 C CB 0.164 28.064 27.740 0.266 0.000 2.230 483 C HN 0.497 nan 8.230 nan 0.000 0.492 484 Y N 0.675 121.110 120.300 0.225 0.000 2.357 484 Y HA 0.371 4.921 4.550 -0.000 0.000 0.340 484 Y C 0.958 177.018 175.900 0.266 0.000 1.260 484 Y CA -0.039 58.184 58.100 0.205 0.000 1.425 484 Y CB 0.450 39.013 38.460 0.172 0.000 1.326 484 Y HN 0.761 nan 8.280 nan 0.000 0.580 485 A N 2.988 126.035 122.820 0.378 0.000 3.095 485 A HA 0.445 4.765 4.320 -0.000 0.000 0.301 485 A C -0.621 177.118 177.584 0.258 0.000 1.432 485 A CA -0.387 51.823 52.037 0.288 0.000 1.140 485 A CB -1.485 17.598 19.000 0.138 0.000 1.174 485 A HN 0.836 nan 8.150 nan 0.000 0.546 486 N N -2.238 116.676 118.700 0.357 0.000 2.934 486 N HA 0.399 5.139 4.740 -0.000 0.000 0.253 486 N C -0.150 175.457 175.510 0.161 0.000 1.466 486 N CA -0.759 52.371 53.050 0.134 0.000 0.858 486 N CB 0.336 38.906 38.487 0.139 0.000 1.459 486 N HN -0.079 nan 8.380 nan 0.000 0.532 487 Y N -0.284 120.164 120.300 0.247 0.000 2.263 487 Y HA 0.049 4.599 4.550 -0.000 0.000 0.292 487 Y C 1.671 177.660 175.900 0.149 0.000 1.130 487 Y CA 1.139 59.378 58.100 0.232 0.000 1.179 487 Y CB -0.311 38.311 38.460 0.269 0.000 0.998 487 Y HN 0.652 nan 8.280 nan 0.000 0.532 488 E N -0.534 119.825 120.200 0.264 0.000 2.077 488 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 488 E C 2.479 179.153 176.600 0.123 0.000 0.989 488 E CA 1.505 57.984 56.400 0.132 0.000 0.800 488 E CB -0.510 29.259 29.700 0.114 0.000 0.746 488 E HN 0.213 nan 8.360 nan 0.000 0.452 489 S N -0.229 115.587 115.700 0.193 0.000 2.382 489 S HA -0.165 4.305 4.470 -0.000 0.000 0.228 489 S C 1.959 176.658 174.600 0.165 0.000 1.027 489 S CA 1.334 59.679 58.200 0.243 0.000 0.991 489 S CB -0.191 63.252 63.200 0.406 0.000 0.823 489 S HN 0.303 nan 8.310 nan 0.000 0.469 490 M N 0.805 120.366 119.600 -0.064 0.000 2.159 490 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 490 M C 2.106 178.420 176.300 0.024 0.000 1.063 490 M CA 1.707 56.719 55.300 -0.479 0.000 1.110 490 M CB -0.443 31.719 32.600 -0.730 0.000 1.374 490 M HN 0.488 nan 8.290 nan 0.000 0.411 491 A N 0.118 122.958 122.820 0.033 0.000 1.898 491 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 491 A C 1.755 179.315 177.584 -0.040 0.000 1.181 491 A CA 1.802 53.729 52.037 -0.183 0.000 0.620 491 A CB -0.744 17.951 19.000 -0.509 0.000 0.819 491 A HN 0.651 nan 8.150 nan 0.000 0.442 492 E N 0.060 120.289 120.200 0.049 0.000 2.049 492 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 492 E C 2.301 179.078 176.600 0.295 0.000 1.007 492 E CA 1.689 58.183 56.400 0.157 0.000 0.809 492 E CB -0.256 29.538 29.700 0.156 0.000 0.749 492 E HN 0.557 nan 8.360 nan 0.000 0.450 493 S N 0.760 116.649 115.700 0.314 0.000 2.383 493 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 493 S C 1.887 176.700 174.600 0.353 0.000 1.030 493 S CA 0.910 59.397 58.200 0.479 0.000 1.002 493 S CB -0.233 63.292 63.200 0.541 0.000 0.829 493 S HN 0.163 nan 8.310 nan 0.000 0.467 494 L N 2.220 123.586 121.223 0.238 0.000 2.056 494 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 494 L C 2.168 178.936 176.870 -0.170 0.000 1.078 494 L CA 1.640 56.507 54.840 0.045 0.000 0.749 494 L CB -0.541 41.477 42.059 -0.069 0.000 0.901 494 L HN 0.116 nan 8.230 nan 0.000 0.433 495 R N -0.323 120.123 120.500 -0.090 0.000 2.091 495 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 495 R C 2.218 178.362 176.300 -0.259 0.000 1.136 495 R CA 1.275 57.295 56.100 -0.132 0.000 0.959 495 R CB -1.214 29.054 30.300 -0.054 0.000 0.856 495 R HN 0.590 nan 8.270 nan 0.000 0.437 496 G N 0.566 109.226 108.800 -0.235 0.000 2.514 496 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 496 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 496 G C 1.540 175.983 174.900 -0.762 0.000 1.198 496 G CA 1.030 45.832 45.100 -0.496 0.000 0.780 496 G HN 0.476 nan 8.290 nan 0.000 0.565 497 G N 0.488 108.500 108.800 -1.314 0.000 2.408 497 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.217 497 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.217 497 G C 1.837 176.143 174.900 -0.989 0.000 1.150 497 G CA 0.684 44.506 45.100 -2.130 0.000 0.776 497 G HN 0.418 nan 8.290 nan 0.000 0.542 498 L N 0.744 121.581 121.223 -0.645 0.000 2.012 498 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 498 L C 3.196 179.876 176.870 -0.316 0.000 1.073 498 L CA 1.418 56.033 54.840 -0.376 0.000 0.748 498 L CB -0.463 41.454 42.059 -0.238 0.000 0.891 498 L HN 0.190 nan 8.230 nan 0.000 0.431 499 S N -0.198 115.300 115.700 -0.338 0.000 2.382 499 S HA -0.169 4.301 4.470 -0.000 0.000 0.228 499 S C 1.935 176.377 174.600 -0.263 0.000 1.027 499 S CA 1.191 59.231 58.200 -0.267 0.000 0.991 499 S CB -0.231 62.786 63.200 -0.305 0.000 0.823 499 S HN 0.335 nan 8.310 nan 0.000 0.469 500 I N 1.226 121.575 120.570 -0.368 0.000 2.546 500 I HA -0.095 4.075 4.170 -0.000 0.000 0.255 500 I C 2.172 178.216 176.117 -0.122 0.000 1.163 500 I CA 0.897 62.015 61.300 -0.303 0.000 1.457 500 I CB -0.395 37.351 38.000 -0.422 0.000 1.092 500 I HN 0.384 nan 8.210 nan 0.000 0.434 501 G N 0.465 109.163 108.800 -0.169 0.000 2.464 501 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.217 501 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.217 501 G C 1.478 176.330 174.900 -0.080 0.000 1.138 501 G CA 0.057 45.095 45.100 -0.104 0.000 0.793 501 G HN 0.364 nan 8.290 nan 0.000 0.539 502 L N 0.990 122.160 121.223 -0.088 0.000 2.610 502 L HA 0.134 4.474 4.340 -0.000 0.000 0.232 502 L C 1.519 178.427 176.870 0.063 0.000 1.149 502 L CA 0.286 55.102 54.840 -0.040 0.000 0.872 502 L CB 0.389 42.410 42.059 -0.065 0.000 0.992 502 L HN 0.074 nan 8.230 nan 0.000 0.447 503 S N -0.770 114.962 115.700 0.054 0.000 2.749 503 S HA 0.371 4.841 4.470 -0.000 0.000 0.246 503 S C 1.174 175.821 174.600 0.079 0.000 1.023 503 S CA 0.357 58.619 58.200 0.103 0.000 1.012 503 S CB 1.181 64.451 63.200 0.117 0.000 0.942 503 S HN 0.499 nan 8.310 nan 0.000 0.531 504 G N 1.306 110.115 108.800 0.015 0.000 2.176 504 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.232 504 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.232 504 G C -0.169 174.582 174.900 -0.247 0.000 0.986 504 G CA -0.617 44.445 45.100 -0.062 0.000 0.643 504 G HN 0.453 nan 8.290 nan 0.000 0.522 505 F N 0.990 120.841 119.950 -0.165 0.000 2.404 505 F HA 0.560 5.087 4.527 -0.000 0.000 0.354 505 F C 1.576 177.266 175.800 -0.183 0.000 1.122 505 F CA 0.121 58.015 58.000 -0.177 0.000 1.080 505 F CB 1.933 40.806 39.000 -0.211 0.000 1.131 505 F HN 0.006 nan 8.300 nan 0.000 0.471 506 G N 3.093 111.824 108.800 -0.116 0.000 2.551 506 G HA2 0.052 4.012 3.960 -0.000 0.000 0.216 506 G HA3 0.052 4.012 3.960 -0.000 0.000 0.216 506 G C -0.153 174.252 174.900 -0.825 0.000 1.137 506 G CA 0.388 45.181 45.100 -0.513 0.000 0.798 506 G HN 0.382 nan 8.290 nan 0.000 0.536 507 F N -2.241 117.792 119.950 0.138 0.000 2.565 507 F HA 0.642 5.169 4.527 -0.000 0.000 0.313 507 F C -1.124 174.806 175.800 0.216 0.000 1.091 507 F CA -1.555 56.541 58.000 0.159 0.000 0.915 507 F CB 2.006 41.038 39.000 0.053 0.000 1.208 507 F HN -0.000 nan 8.300 nan 0.000 0.453 508 W N 2.886 124.264 121.300 0.129 0.000 3.326 508 W HA 0.598 5.258 4.660 -0.000 0.000 0.333 508 W C -1.236 175.273 176.519 -0.016 0.000 1.108 508 W CA -0.942 56.400 57.345 -0.005 0.000 1.245 508 W CB 1.698 31.131 29.460 -0.044 0.000 1.331 508 W HN 0.607 nan 8.180 nan 0.000 0.464 509 S N 3.673 118.986 115.700 -0.645 0.000 2.722 509 S HA 0.922 5.392 4.470 -0.000 0.000 0.292 509 S C -0.703 173.296 174.600 -1.003 0.000 1.135 509 S CA -0.289 57.467 58.200 -0.740 0.000 1.003 509 S CB 1.958 64.531 63.200 -1.044 0.000 1.067 509 S HN 0.799 nan 8.310 nan 0.000 0.546 510 H N -2.212 116.386 119.070 -0.786 0.000 2.932 510 H HA 0.634 5.190 4.556 -0.000 0.000 0.307 510 H C -2.190 173.018 175.328 -0.201 0.000 1.391 510 H CA -1.119 54.536 56.048 -0.655 0.000 1.130 510 H CB 0.491 29.722 29.762 -0.885 0.000 1.836 510 H HN 0.449 nan 8.280 nan 0.000 0.522 511 D N 1.108 121.457 120.400 -0.085 0.000 2.256 511 D HA 0.281 4.921 4.640 -0.000 0.000 0.240 511 D C 0.084 176.143 176.300 -0.402 0.000 1.062 511 D CA -0.420 53.510 54.000 -0.117 0.000 0.832 511 D CB 1.919 42.767 40.800 0.081 0.000 1.135 511 D HN 0.430 nan 8.370 nan 0.000 0.484 512 I N 1.540 121.859 120.570 -0.418 0.000 2.587 512 I HA 0.136 4.306 4.170 -0.000 0.000 0.284 512 I C 1.598 177.262 176.117 -0.756 0.000 1.134 512 I CA 0.594 61.527 61.300 -0.611 0.000 1.410 512 I CB 0.276 38.044 38.000 -0.387 0.000 1.392 512 I HN 0.717 nan 8.210 nan 0.000 0.545 513 G N 3.889 111.899 108.800 -1.316 0.000 2.179 513 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.260 513 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.260 513 G C 0.739 175.051 174.900 -0.980 0.000 0.977 513 G CA 0.115 44.712 45.100 -0.837 0.000 0.641 513 G HN 1.479 nan 8.290 nan 0.000 0.533 514 G N -1.081 106.967 108.800 -1.254 0.000 2.601 514 G HA2 -0.066 3.893 3.960 -0.000 0.000 0.252 514 G HA3 -0.066 3.893 3.960 -0.000 0.000 0.252 514 G C 0.535 175.409 174.900 -0.044 0.000 1.294 514 G CA 0.437 45.233 45.100 -0.506 0.000 0.912 514 G HN 1.328 nan 8.290 nan 0.000 0.574 515 F N 0.660 120.555 119.950 -0.092 0.000 2.712 515 F HA 0.366 4.893 4.527 -0.000 0.000 0.297 515 F C 1.472 177.286 175.800 0.022 0.000 1.114 515 F CA 0.528 58.531 58.000 0.005 0.000 1.305 515 F CB 0.328 39.359 39.000 0.051 0.000 1.086 515 F HN 0.611 nan 8.300 nan 0.000 0.599 516 E N 2.115 122.357 120.200 0.070 0.000 2.480 516 E HA -0.150 4.200 4.350 -0.000 0.000 0.258 516 E C 1.157 177.749 176.600 -0.013 0.000 0.984 516 E CA 0.062 56.484 56.400 0.037 0.000 0.930 516 E CB 0.328 30.144 29.700 0.193 0.000 0.936 516 E HN 0.438 nan 8.360 nan 0.000 0.466 517 N N 3.034 121.693 118.700 -0.068 0.000 2.064 517 N HA -0.178 4.562 4.740 -0.000 0.000 0.200 517 N C -0.217 175.283 175.510 -0.017 0.000 1.028 517 N CA 1.484 54.490 53.050 -0.072 0.000 0.880 517 N CB 0.054 38.501 38.487 -0.065 0.000 1.062 517 N HN 0.364 nan 8.380 nan 0.000 0.454 518 T N 1.197 115.765 114.554 0.022 0.000 2.762 518 T HA 0.534 4.884 4.350 -0.000 0.000 0.303 518 T C -0.445 174.315 174.700 0.101 0.000 0.977 518 T CA -0.573 61.559 62.100 0.053 0.000 0.961 518 T CB 1.281 70.175 68.868 0.043 0.000 0.944 518 T HN 0.359 nan 8.240 nan 0.000 0.481 519 A N 5.636 128.556 122.820 0.168 0.000 2.309 519 A HA 0.676 4.996 4.320 -0.000 0.000 0.298 519 A C -2.368 175.296 177.584 0.134 0.000 1.165 519 A CA -1.783 50.335 52.037 0.135 0.000 0.821 519 A CB 0.037 19.105 19.000 0.115 0.000 1.102 519 A HN 0.440 nan 8.150 nan 0.000 0.500 520 P HA 0.202 nan 4.420 nan 0.000 0.268 520 P C 0.868 178.083 177.300 -0.142 0.000 1.204 520 P CA 0.460 63.525 63.100 -0.058 0.000 0.768 520 P CB 0.984 32.537 31.700 -0.246 0.000 0.842 521 A N 3.692 126.517 122.820 0.009 0.000 1.908 521 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 521 A C 1.940 179.449 177.584 -0.126 0.000 1.181 521 A CA 2.290 54.279 52.037 -0.080 0.000 0.627 521 A CB -1.879 17.164 19.000 0.071 0.000 0.818 521 A HN 0.827 nan 8.150 nan 0.000 0.445 522 H N -1.521 117.526 119.070 -0.039 0.000 2.352 522 H HA -0.070 4.485 4.556 -0.000 0.000 0.299 522 H C 1.624 177.092 175.328 0.232 0.000 1.097 522 H CA 1.616 57.690 56.048 0.044 0.000 1.311 522 H CB -0.857 29.115 29.762 0.350 0.000 1.377 522 H HN 0.115 nan 8.280 nan 0.000 0.504 523 V N 0.670 120.387 119.914 -0.329 0.000 2.261 523 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 523 V C 2.345 178.524 176.094 0.141 0.000 1.047 523 V CA 2.138 64.328 62.300 -0.184 0.000 1.015 523 V CB -0.982 30.602 31.823 -0.398 0.000 0.642 523 V HN 0.500 nan 8.190 nan 0.000 0.446 524 Y N 1.112 121.324 120.300 -0.146 0.000 2.139 524 Y HA -0.330 4.220 4.550 -0.000 0.000 0.282 524 Y C 2.530 178.415 175.900 -0.025 0.000 1.179 524 Y CA 2.224 60.203 58.100 -0.200 0.000 1.161 524 Y CB -0.158 37.865 38.460 -0.728 0.000 0.970 524 Y HN 0.181 nan 8.280 nan 0.000 0.511 525 K N -0.644 119.823 120.400 0.113 0.000 2.057 525 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 525 K C 2.143 178.900 176.600 0.262 0.000 1.050 525 K CA 1.155 57.527 56.287 0.141 0.000 0.935 525 K CB -0.084 32.382 32.500 -0.057 0.000 0.715 525 K HN 0.173 nan 8.250 nan 0.000 0.439 526 R N 0.227 120.953 120.500 0.376 0.000 2.092 526 R HA -0.120 4.219 4.340 -0.000 0.000 0.231 526 R C 1.931 178.382 176.300 0.253 0.000 1.119 526 R CA 0.880 57.182 56.100 0.338 0.000 0.970 526 R CB -0.586 29.984 30.300 0.451 0.000 0.864 526 R HN 0.437 nan 8.270 nan 0.000 0.440 527 W N 0.956 122.330 121.300 0.122 0.000 2.402 527 W HA -0.161 4.499 4.660 -0.000 0.000 0.286 527 W C 2.225 178.741 176.519 -0.004 0.000 1.221 527 W CA 0.340 57.765 57.345 0.135 0.000 1.257 527 W CB -0.706 28.799 29.460 0.076 0.000 1.120 527 W HN 0.104 nan 8.180 nan 0.000 0.551 528 C N 0.820 120.183 119.300 0.104 0.000 2.413 528 C HA -0.139 4.321 4.460 -0.000 0.000 0.276 528 C C 3.043 177.986 174.990 -0.079 0.000 1.236 528 C CA 2.442 61.429 59.018 -0.052 0.000 1.735 528 C CB -1.498 26.176 27.740 -0.110 0.000 2.031 528 C HN 0.298 nan 8.230 nan 0.000 0.474 529 A N -0.104 122.554 122.820 -0.271 0.000 1.883 529 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 529 A C 2.060 179.563 177.584 -0.135 0.000 1.186 529 A CA 1.891 53.472 52.037 -0.760 0.000 0.624 529 A CB -1.158 17.327 19.000 -0.859 0.000 0.822 529 A HN 0.666 nan 8.150 nan 0.000 0.444 530 F N 1.398 121.308 119.950 -0.068 0.000 2.043 530 F HA -0.143 4.384 4.527 -0.000 0.000 0.297 530 F C 2.337 178.309 175.800 0.287 0.000 1.121 530 F CA 1.634 59.721 58.000 0.147 0.000 1.199 530 F CB -1.188 37.884 39.000 0.120 0.000 0.968 530 F HN 0.182 nan 8.300 nan 0.000 0.478 531 G N 0.766 109.639 108.800 0.121 0.000 2.442 531 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 531 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 531 G C 1.601 176.482 174.900 -0.032 0.000 1.141 531 G CA 0.781 45.762 45.100 -0.199 0.000 0.763 531 G HN 0.378 nan 8.290 nan 0.000 0.554 532 L N -0.145 121.121 121.223 0.072 0.000 2.478 532 L HA 0.205 4.545 4.340 -0.000 0.000 0.223 532 L C 1.393 178.397 176.870 0.223 0.000 1.140 532 L CA 0.656 55.588 54.840 0.154 0.000 0.842 532 L CB -0.432 41.758 42.059 0.218 0.000 0.953 532 L HN 0.139 nan 8.230 nan 0.000 0.452 533 L N -0.999 120.385 121.223 0.267 0.000 3.034 533 L HA 0.272 4.612 4.340 -0.000 0.000 0.245 533 L C 0.396 177.546 176.870 0.467 0.000 1.295 533 L CA 0.227 55.280 54.840 0.355 0.000 1.068 533 L CB -0.485 41.779 42.059 0.343 0.000 1.426 533 L HN 0.010 nan 8.230 nan 0.000 0.531 534 S N -1.881 114.032 115.700 0.356 0.000 2.709 534 S HA 0.364 4.834 4.470 -0.000 0.000 0.302 534 S C 1.135 175.900 174.600 0.274 0.000 1.127 534 S CA 0.026 58.438 58.200 0.352 0.000 0.905 534 S CB 1.946 65.361 63.200 0.358 0.000 1.151 534 S HN 0.340 nan 8.310 nan 0.000 0.510 535 S N 0.431 116.308 115.700 0.294 0.000 2.368 535 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 535 S C 0.151 174.631 174.600 -0.200 0.000 1.030 535 S CA 1.176 59.534 58.200 0.264 0.000 0.999 535 S CB -0.434 63.095 63.200 0.548 0.000 0.844 535 S HN 0.752 nan 8.310 nan 0.000 0.459 536 H N -0.347 118.711 119.070 -0.020 0.000 2.806 536 H HA 0.714 5.270 4.556 -0.000 0.000 0.367 536 H C -1.269 173.946 175.328 -0.188 0.000 1.136 536 H CA -0.485 55.469 56.048 -0.156 0.000 1.178 536 H CB 2.250 31.803 29.762 -0.348 0.000 1.718 536 H HN 0.144 nan 8.280 nan 0.000 0.540 537 S N 2.233 117.913 115.700 -0.033 0.000 2.677 537 S HA 0.547 5.017 4.470 -0.000 0.000 0.283 537 S C -0.777 173.831 174.600 0.014 0.000 1.159 537 S CA -0.883 57.274 58.200 -0.072 0.000 1.001 537 S CB 1.791 65.017 63.200 0.043 0.000 1.032 537 S HN 0.563 nan 8.310 nan 0.000 0.487 538 R N 2.320 122.784 120.500 -0.059 0.000 2.725 538 R HA 0.646 4.986 4.340 -0.000 0.000 0.277 538 R C -1.800 174.499 176.300 -0.000 0.000 0.987 538 R CA -0.769 55.348 56.100 0.027 0.000 0.901 538 R CB 1.074 31.364 30.300 -0.016 0.000 1.207 538 R HN 0.606 nan 8.270 nan 0.000 0.463 539 L N 3.543 124.801 121.223 0.057 0.000 2.287 539 L HA 0.465 4.805 4.340 -0.000 0.000 0.287 539 L C -0.939 175.982 176.870 0.085 0.000 1.022 539 L CA -0.647 54.229 54.840 0.060 0.000 0.814 539 L CB 1.437 43.561 42.059 0.108 0.000 1.217 539 L HN 0.692 nan 8.230 nan 0.000 0.420 540 H N 2.321 121.376 119.070 -0.024 0.000 3.179 540 H HA 0.570 5.126 4.556 -0.000 0.000 0.331 540 H C -0.684 174.714 175.328 0.117 0.000 1.013 540 H CA -0.337 55.700 56.048 -0.017 0.000 1.430 540 H CB 1.431 31.153 29.762 -0.068 0.000 1.895 540 H HN 0.610 nan 8.280 nan 0.000 0.468 541 G N 1.805 110.392 108.800 -0.356 0.000 2.820 541 G HA2 0.400 4.360 3.960 -0.000 0.000 0.291 541 G HA3 0.400 4.360 3.960 -0.000 0.000 0.291 541 G C -0.208 174.526 174.900 -0.277 0.000 1.323 541 G CA -0.231 44.757 45.100 -0.186 0.000 1.055 541 G HN 0.583 nan 8.290 nan 0.000 0.520 542 S N -0.917 114.589 115.700 -0.324 0.000 2.339 542 S HA 0.083 4.553 4.470 -0.000 0.000 0.189 542 S C 1.865 176.362 174.600 -0.170 0.000 0.966 542 S CA 0.489 58.452 58.200 -0.396 0.000 0.925 542 S CB -0.088 62.715 63.200 -0.662 0.000 0.890 542 S HN 0.492 nan 8.310 nan 0.000 0.539 543 K N 1.375 121.673 120.400 -0.172 0.000 2.374 543 K HA 0.221 4.541 4.320 -0.000 0.000 0.196 543 K C -0.177 176.368 176.600 -0.091 0.000 1.023 543 K CA 0.049 56.263 56.287 -0.122 0.000 1.103 543 K CB 0.500 32.937 32.500 -0.106 0.000 0.848 543 K HN 0.359 nan 8.250 nan 0.000 0.528 544 S N -0.662 114.969 115.700 -0.116 0.000 2.541 544 S HA 0.323 4.793 4.470 -0.000 0.000 0.271 544 S C -0.752 173.749 174.600 -0.166 0.000 1.133 544 S CA -1.028 57.115 58.200 -0.095 0.000 0.876 544 S CB 0.516 63.657 63.200 -0.099 0.000 1.105 544 S HN 0.092 nan 8.310 nan 0.000 0.470 545 Y N 1.420 121.495 120.300 -0.374 0.000 2.712 545 Y HA 0.132 4.682 4.550 -0.000 0.000 0.333 545 Y C 1.712 177.407 175.900 -0.342 0.000 1.225 545 Y CA 0.102 57.905 58.100 -0.494 0.000 1.499 545 Y CB 0.541 38.356 38.460 -1.075 0.000 1.288 545 Y HN 0.521 nan 8.280 nan 0.000 0.575 546 R N 3.264 123.700 120.500 -0.106 0.000 3.732 546 R HA 0.087 4.427 4.340 -0.000 0.000 0.258 546 R C -0.892 175.468 176.300 0.100 0.000 1.661 546 R CA -0.162 55.967 56.100 0.049 0.000 1.424 546 R CB -1.150 29.222 30.300 0.119 0.000 1.308 546 R HN 0.478 nan 8.270 nan 0.000 0.634 547 V N -1.096 118.721 119.914 -0.162 0.000 2.583 547 V HA 0.247 4.367 4.120 -0.000 0.000 0.287 547 V C -1.407 174.463 176.094 -0.374 0.000 1.051 547 V CA -1.558 60.507 62.300 -0.393 0.000 1.010 547 V CB 1.376 32.538 31.823 -1.101 0.000 0.988 547 V HN 0.012 nan 8.190 nan 0.000 0.478 548 P HA -0.094 nan 4.420 nan 0.000 0.217 548 P C 1.421 178.805 177.300 0.140 0.000 1.150 548 P CA 1.856 65.057 63.100 0.169 0.000 0.832 548 P CB -0.162 31.775 31.700 0.396 0.000 0.787 549 W N 0.561 121.936 121.300 0.126 0.000 2.468 549 W HA 0.217 4.877 4.660 -0.000 0.000 0.262 549 W C 1.806 178.313 176.519 -0.019 0.000 1.241 549 W CA 0.693 58.078 57.345 0.066 0.000 1.232 549 W CB -1.820 27.677 29.460 0.060 0.000 1.124 549 W HN -0.108 nan 8.180 nan 0.000 0.597 550 A N -0.132 122.438 122.820 -0.417 0.000 2.125 550 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 550 A C 1.335 178.584 177.584 -0.559 0.000 1.156 550 A CA 1.346 53.078 52.037 -0.507 0.000 0.671 550 A CB -0.796 17.735 19.000 -0.783 0.000 0.794 550 A HN 0.563 nan 8.150 nan 0.000 0.459 551 Y N -0.183 120.017 120.300 -0.167 0.000 2.453 551 Y HA 0.309 4.859 4.550 -0.000 0.000 0.273 551 Y C 0.571 176.456 175.900 -0.025 0.000 1.130 551 Y CA 0.259 58.276 58.100 -0.138 0.000 1.271 551 Y CB 0.263 38.559 38.460 -0.273 0.000 1.253 551 Y HN 0.484 nan 8.280 nan 0.000 0.512 552 D N -2.964 117.547 120.400 0.186 0.000 2.779 552 D HA 0.124 4.764 4.640 -0.000 0.000 0.331 552 D C -0.504 175.904 176.300 0.180 0.000 1.331 552 D CA -0.474 53.617 54.000 0.153 0.000 0.866 552 D CB 0.106 40.980 40.800 0.124 0.000 1.409 552 D HN -0.200 nan 8.370 nan 0.000 0.486 553 D N -0.480 120.013 120.400 0.154 0.000 2.149 553 D HA -0.083 4.557 4.640 -0.000 0.000 0.201 553 D C 1.512 177.912 176.300 0.166 0.000 0.972 553 D CA 1.149 55.244 54.000 0.158 0.000 0.835 553 D CB 0.040 40.911 40.800 0.120 0.000 0.966 553 D HN 0.616 nan 8.370 nan 0.000 0.476 554 E N 0.355 120.645 120.200 0.151 0.000 2.097 554 E HA -0.179 4.171 4.350 -0.000 0.000 0.196 554 E C 1.861 178.572 176.600 0.185 0.000 1.000 554 E CA 1.309 57.804 56.400 0.159 0.000 0.804 554 E CB 0.104 29.889 29.700 0.141 0.000 0.740 554 E HN 0.018 nan 8.360 nan 0.000 0.454 555 S N -0.219 115.592 115.700 0.184 0.000 2.370 555 S HA -0.205 4.264 4.470 -0.000 0.000 0.226 555 S C 2.091 176.883 174.600 0.321 0.000 1.033 555 S CA 1.217 59.569 58.200 0.254 0.000 1.011 555 S CB -0.389 62.953 63.200 0.238 0.000 0.852 555 S HN 0.488 nan 8.310 nan 0.000 0.457 556 C N 1.802 121.282 119.300 0.300 0.000 2.425 556 C HA -0.070 4.390 4.460 -0.000 0.000 0.277 556 C C 2.385 177.533 174.990 0.264 0.000 1.280 556 C CA 0.328 59.532 59.018 0.310 0.000 1.744 556 C CB -1.255 26.663 27.740 0.296 0.000 1.989 556 C HN 0.549 nan 8.230 nan 0.000 0.491 557 D N 0.724 121.262 120.400 0.231 0.000 2.123 557 D HA -0.071 4.568 4.640 -0.000 0.000 0.200 557 D C 2.230 178.683 176.300 0.255 0.000 0.976 557 D CA 0.947 55.071 54.000 0.207 0.000 0.831 557 D CB -0.472 40.427 40.800 0.165 0.000 0.974 557 D HN 0.291 nan 8.370 nan 0.000 0.469 558 V N 0.948 121.041 119.914 0.299 0.000 2.255 558 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 558 V C 2.714 179.102 176.094 0.489 0.000 1.051 558 V CA 1.140 63.695 62.300 0.425 0.000 1.018 558 V CB -0.579 31.498 31.823 0.423 0.000 0.641 558 V HN 0.051 nan 8.190 nan 0.000 0.445 559 V N -0.038 120.105 119.914 0.382 0.000 2.332 559 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 559 V C 2.571 178.844 176.094 0.299 0.000 1.055 559 V CA 2.583 65.086 62.300 0.338 0.000 1.038 559 V CB -0.777 31.232 31.823 0.310 0.000 0.651 559 V HN 0.522 nan 8.190 nan 0.000 0.450 560 R N -0.691 119.965 120.500 0.259 0.000 2.066 560 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 560 R C 2.283 178.655 176.300 0.120 0.000 1.131 560 R CA 1.936 58.144 56.100 0.180 0.000 0.955 560 R CB -0.476 29.919 30.300 0.159 0.000 0.851 560 R HN 0.447 nan 8.270 nan 0.000 0.432 561 F N 0.210 120.138 119.950 -0.038 0.000 2.091 561 F HA -0.215 4.312 4.527 -0.000 0.000 0.299 561 F C 1.445 177.048 175.800 -0.328 0.000 1.103 561 F CA 1.704 59.547 58.000 -0.263 0.000 1.228 561 F CB -0.173 38.551 39.000 -0.460 0.000 0.984 561 F HN 0.008 nan 8.300 nan 0.000 0.477 562 F N -0.310 119.712 119.950 0.120 0.000 2.416 562 F HA -0.041 4.486 4.527 -0.000 0.000 0.296 562 F C 2.427 178.231 175.800 0.006 0.000 1.099 562 F CA 1.315 59.340 58.000 0.041 0.000 1.427 562 F CB -1.152 37.975 39.000 0.213 0.000 1.079 562 F HN -0.164 nan 8.300 nan 0.000 0.536 563 T N -0.655 114.015 114.554 0.194 0.000 2.777 563 T HA -0.184 4.166 4.350 -0.000 0.000 0.266 563 T C 1.922 176.673 174.700 0.085 0.000 1.040 563 T CA 1.272 63.478 62.100 0.176 0.000 1.141 563 T CB -0.252 68.743 68.868 0.212 0.000 0.868 563 T HN 0.273 nan 8.240 nan 0.000 0.444 564 Q N 0.215 119.993 119.800 -0.035 0.000 2.050 564 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 564 Q C 2.339 178.232 176.000 -0.179 0.000 0.980 564 Q CA 1.141 56.875 55.803 -0.114 0.000 0.840 564 Q CB -0.368 28.247 28.738 -0.205 0.000 0.898 564 Q HN 0.308 nan 8.270 nan 0.000 0.424 565 L N 1.369 122.383 121.223 -0.349 0.000 1.989 565 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 565 L C 2.257 179.086 176.870 -0.069 0.000 1.071 565 L CA 1.950 56.591 54.840 -0.332 0.000 0.749 565 L CB -0.423 41.309 42.059 -0.545 0.000 0.890 565 L HN 0.047 nan 8.230 nan 0.000 0.431 566 K N -1.281 119.144 120.400 0.041 0.000 2.063 566 K HA -0.223 4.097 4.320 -0.000 0.000 0.208 566 K C 2.145 178.820 176.600 0.126 0.000 1.048 566 K CA 1.989 58.352 56.287 0.126 0.000 0.928 566 K CB -0.397 32.213 32.500 0.183 0.000 0.713 566 K HN 0.534 nan 8.250 nan 0.000 0.442 567 C N 0.535 119.907 119.300 0.122 0.000 2.429 567 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 567 C C 2.555 177.685 174.990 0.233 0.000 1.262 567 C CA 0.567 59.696 59.018 0.185 0.000 1.733 567 C CB -0.842 26.979 27.740 0.135 0.000 2.010 567 C HN 0.494 nan 8.230 nan 0.000 0.483 568 R N 0.161 120.727 120.500 0.111 0.000 2.152 568 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 568 R C 1.909 178.280 176.300 0.118 0.000 1.117 568 R CA 1.086 57.255 56.100 0.115 0.000 0.981 568 R CB -0.247 30.053 30.300 0.001 0.000 0.870 568 R HN 0.593 nan 8.270 nan 0.000 0.451 569 M N -0.264 119.389 119.600 0.088 0.000 2.556 569 M HA 0.036 4.515 4.480 -0.000 0.000 0.245 569 M C 1.575 177.894 176.300 0.031 0.000 1.128 569 M CA 0.420 55.771 55.300 0.085 0.000 1.069 569 M CB 0.185 32.859 32.600 0.122 0.000 1.469 569 M HN 0.039 nan 8.290 nan 0.000 0.494 570 M N 0.180 119.750 119.600 -0.051 0.000 2.279 570 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 570 M C -0.806 175.005 176.300 -0.816 0.000 1.062 570 M CA 1.489 56.578 55.300 -0.352 0.000 1.099 570 M CB -2.022 30.410 32.600 -0.281 0.000 1.394 570 M HN 0.010 nan 8.290 nan 0.000 0.426 571 P HA -0.167 nan 4.420 nan 0.000 0.217 571 P C 1.532 178.657 177.300 -0.291 0.000 1.150 571 P CA 1.180 63.914 63.100 -0.609 0.000 0.832 571 P CB -0.304 31.274 31.700 -0.203 0.000 0.787 572 Y N 0.324 120.485 120.300 -0.231 0.000 2.130 572 Y HA -0.146 4.404 4.550 -0.000 0.000 0.287 572 Y C 1.998 177.807 175.900 -0.153 0.000 1.124 572 Y CA 1.331 59.356 58.100 -0.125 0.000 1.118 572 Y CB -1.192 37.237 38.460 -0.052 0.000 0.994 572 Y HN -0.287 nan 8.280 nan 0.000 0.497 573 L N -0.317 120.768 121.223 -0.229 0.000 2.013 573 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 573 L C 2.319 178.960 176.870 -0.381 0.000 1.073 573 L CA 1.946 56.609 54.840 -0.296 0.000 0.753 573 L CB -1.764 40.235 42.059 -0.101 0.000 0.890 573 L HN 0.389 nan 8.230 nan 0.000 0.432 574 Y N -0.106 119.798 120.300 -0.660 0.000 2.293 574 Y HA -0.239 4.311 4.550 -0.000 0.000 0.291 574 Y C 2.784 178.447 175.900 -0.395 0.000 1.137 574 Y CA 1.481 59.181 58.100 -0.667 0.000 1.202 574 Y CB -0.105 37.770 38.460 -0.974 0.000 0.990 574 Y HN 0.103 nan 8.280 nan 0.000 0.537 575 R N 0.767 121.084 120.500 -0.305 0.000 2.081 575 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 575 R C 1.865 178.008 176.300 -0.262 0.000 1.131 575 R CA 1.890 57.850 56.100 -0.232 0.000 0.960 575 R CB -0.387 29.810 30.300 -0.171 0.000 0.856 575 R HN 0.183 nan 8.270 nan 0.000 0.436 576 E N 0.291 120.280 120.200 -0.351 0.000 2.106 576 E HA -0.077 4.272 4.350 -0.000 0.000 0.192 576 E C 1.918 178.404 176.600 -0.189 0.000 0.984 576 E CA 1.290 57.508 56.400 -0.305 0.000 0.806 576 E CB -0.479 28.958 29.700 -0.439 0.000 0.750 576 E HN 0.452 nan 8.360 nan 0.000 0.458 577 A N 1.639 124.366 122.820 -0.154 0.000 1.908 577 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 577 A C 2.425 180.001 177.584 -0.013 0.000 1.181 577 A CA 2.207 54.281 52.037 0.063 0.000 0.627 577 A CB -0.600 18.392 19.000 -0.015 0.000 0.818 577 A HN 0.271 nan 8.150 nan 0.000 0.445 578 A N -0.765 121.935 122.820 -0.201 0.000 1.972 578 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 578 A C 2.215 179.747 177.584 -0.086 0.000 1.169 578 A CA 1.551 53.502 52.037 -0.144 0.000 0.635 578 A CB -0.457 18.450 19.000 -0.156 0.000 0.810 578 A HN 0.535 nan 8.150 nan 0.000 0.446 579 R N -0.586 119.848 120.500 -0.110 0.000 2.096 579 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 579 R C 2.349 178.579 176.300 -0.117 0.000 1.127 579 R CA 1.257 57.291 56.100 -0.110 0.000 0.968 579 R CB -0.332 29.890 30.300 -0.129 0.000 0.861 579 R HN 0.504 nan 8.270 nan 0.000 0.440 580 A N 0.861 123.596 122.820 -0.141 0.000 1.933 580 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 580 A C 1.888 179.416 177.584 -0.093 0.000 1.175 580 A CA 1.599 53.512 52.037 -0.206 0.000 0.628 580 A CB -0.770 17.919 19.000 -0.519 0.000 0.814 580 A HN 0.533 nan 8.150 nan 0.000 0.444 581 N N -0.069 118.637 118.700 0.009 0.000 2.216 581 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 581 N C 1.802 177.287 175.510 -0.042 0.000 1.017 581 N CA 1.186 54.248 53.050 0.019 0.000 0.861 581 N CB -0.125 38.397 38.487 0.058 0.000 0.986 581 N HN 0.372 nan 8.380 nan 0.000 0.428 582 A N 0.646 123.433 122.820 -0.055 0.000 1.911 582 A HA 0.151 4.471 4.320 -0.000 0.000 0.212 582 A C 1.962 179.500 177.584 -0.076 0.000 1.189 582 A CA 0.515 52.516 52.037 -0.061 0.000 0.639 582 A CB 0.091 19.058 19.000 -0.056 0.000 0.839 582 A HN 0.231 nan 8.150 nan 0.000 0.449 583 R N -1.746 118.701 120.500 -0.088 0.000 2.535 583 R HA 0.243 4.583 4.340 -0.000 0.000 0.323 583 R C 0.856 177.090 176.300 -0.111 0.000 0.979 583 R CA 0.456 56.499 56.100 -0.094 0.000 1.120 583 R CB 0.539 30.787 30.300 -0.087 0.000 1.306 583 R HN 0.606 nan 8.270 nan 0.000 0.540 584 G N 1.828 110.549 108.800 -0.131 0.000 2.203 584 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.263 584 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.263 584 G C 0.099 174.906 174.900 -0.155 0.000 1.012 584 G CA 0.801 45.808 45.100 -0.155 0.000 0.749 584 G HN 0.264 nan 8.290 nan 0.000 0.512 585 T N 3.143 117.605 114.554 -0.153 0.000 2.737 585 T HA 0.480 4.830 4.350 -0.000 0.000 0.296 585 T C -1.568 173.010 174.700 -0.204 0.000 0.922 585 T CA -0.606 61.402 62.100 -0.153 0.000 1.079 585 T CB 2.001 70.790 68.868 -0.131 0.000 0.892 585 T HN 0.296 nan 8.240 nan 0.000 0.514 586 P HA 0.186 nan 4.420 nan 0.000 0.272 586 P C 0.730 177.914 177.300 -0.195 0.000 1.230 586 P CA -0.414 62.539 63.100 -0.245 0.000 0.788 586 P CB 0.865 32.462 31.700 -0.170 0.000 0.949 587 M N 0.194 119.670 119.600 -0.206 0.000 2.156 587 M HA 0.017 4.496 4.480 -0.000 0.000 0.264 587 M C 1.439 177.765 176.300 0.043 0.000 1.067 587 M CA 1.592 56.854 55.300 -0.063 0.000 1.131 587 M CB -0.066 32.550 32.600 0.028 0.000 1.368 587 M HN 0.369 nan 8.290 nan 0.000 0.416 588 M N 1.446 121.062 119.600 0.026 0.000 2.080 588 M HA 0.293 4.772 4.480 -0.000 0.000 0.350 588 M C -1.091 175.194 176.300 -0.025 0.000 1.173 588 M CA 0.001 55.321 55.300 0.034 0.000 1.052 588 M CB 0.578 33.118 32.600 -0.100 0.000 1.577 588 M HN 0.031 nan 8.290 nan 0.000 0.455 589 R N 3.800 124.340 120.500 0.067 0.000 2.534 589 R HA 0.650 4.990 4.340 -0.000 0.000 0.301 589 R C -0.543 175.788 176.300 0.053 0.000 0.961 589 R CA -0.768 55.342 56.100 0.016 0.000 0.871 589 R CB 1.875 32.184 30.300 0.014 0.000 1.170 589 R HN 0.843 nan 8.270 nan 0.000 0.446 590 A N 3.591 126.394 122.820 -0.028 0.000 2.498 590 A HA 0.033 4.352 4.320 -0.000 0.000 0.239 590 A C 1.352 178.947 177.584 0.019 0.000 1.068 590 A CA -0.171 51.853 52.037 -0.022 0.000 0.766 590 A CB 0.200 19.124 19.000 -0.127 0.000 1.003 590 A HN 0.775 nan 8.150 nan 0.000 0.497 591 M N 1.998 121.644 119.600 0.076 0.000 2.144 591 M HA -0.239 4.241 4.480 -0.000 0.000 0.260 591 M C 2.015 178.403 176.300 0.148 0.000 1.067 591 M CA 2.437 57.840 55.300 0.172 0.000 1.095 591 M CB -1.529 31.149 32.600 0.131 0.000 1.365 591 M HN 1.003 nan 8.290 nan 0.000 0.406 592 M N -1.148 118.444 119.600 -0.014 0.000 2.213 592 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 592 M C 2.134 178.348 176.300 -0.142 0.000 1.062 592 M CA 1.810 57.047 55.300 -0.106 0.000 1.105 592 M CB -1.093 31.330 32.600 -0.296 0.000 1.385 592 M HN 0.244 nan 8.290 nan 0.000 0.417 593 M N -0.194 119.305 119.600 -0.170 0.000 2.132 593 M HA -0.152 4.327 4.480 -0.000 0.000 0.263 593 M C 1.987 178.196 176.300 -0.152 0.000 1.065 593 M CA 2.056 57.255 55.300 -0.169 0.000 1.122 593 M CB -0.047 32.458 32.600 -0.159 0.000 1.365 593 M HN 0.473 nan 8.290 nan 0.000 0.411 594 E N -0.141 119.971 120.200 -0.147 0.000 2.170 594 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 594 E C -0.393 175.801 176.600 -0.678 0.000 0.981 594 E CA 0.910 57.087 56.400 -0.372 0.000 0.830 594 E CB 0.216 29.704 29.700 -0.353 0.000 0.775 594 E HN 0.506 nan 8.360 nan 0.000 0.470 595 F N 0.601 120.561 119.950 0.016 0.000 2.531 595 F HA 0.338 4.865 4.527 -0.000 0.000 0.333 595 F C -1.830 173.969 175.800 -0.003 0.000 1.292 595 F CA -2.015 56.005 58.000 0.034 0.000 1.184 595 F CB 1.683 40.736 39.000 0.090 0.000 1.426 595 F HN -0.020 nan 8.300 nan 0.000 0.559 596 P HA -0.066 nan 4.420 nan 0.000 0.229 596 P C 0.441 177.763 177.300 0.037 0.000 1.160 596 P CA 1.122 64.226 63.100 0.006 0.000 0.777 596 P CB 0.425 32.101 31.700 -0.040 0.000 0.814 597 D N -0.691 119.755 120.400 0.077 0.000 2.339 597 D HA 0.007 4.647 4.640 -0.000 0.000 0.217 597 D C 0.162 176.516 176.300 0.090 0.000 1.050 597 D CA 0.519 54.563 54.000 0.074 0.000 0.856 597 D CB -0.125 40.719 40.800 0.073 0.000 0.922 597 D HN 0.139 nan 8.370 nan 0.000 0.518 598 D N 1.334 121.802 120.400 0.114 0.000 2.428 598 D HA 0.088 4.728 4.640 -0.000 0.000 0.221 598 D C -1.471 174.844 176.300 0.025 0.000 1.123 598 D CA -2.111 51.947 54.000 0.096 0.000 0.869 598 D CB 1.905 42.794 40.800 0.149 0.000 1.032 598 D HN -0.075 nan 8.370 nan 0.000 0.506 599 P HA -0.102 nan 4.420 nan 0.000 0.223 599 P C 0.882 178.158 177.300 -0.040 0.000 1.144 599 P CA 0.479 63.581 63.100 0.003 0.000 0.783 599 P CB 0.254 31.966 31.700 0.020 0.000 0.771 600 A N -1.104 121.628 122.820 -0.146 0.000 2.206 600 A HA -0.026 4.294 4.320 -0.000 0.000 0.211 600 A C 2.110 179.463 177.584 -0.384 0.000 1.158 600 A CA 0.773 52.601 52.037 -0.348 0.000 0.761 600 A CB -1.318 17.183 19.000 -0.832 0.000 0.801 600 A HN 0.253 nan 8.150 nan 0.000 0.473 601 C N -0.741 118.432 119.300 -0.213 0.000 2.780 601 C HA 0.074 4.534 4.460 -0.000 0.000 0.267 601 C C 1.864 176.838 174.990 -0.028 0.000 1.266 601 C CA -0.012 58.940 59.018 -0.110 0.000 1.709 601 C CB -0.651 27.085 27.740 -0.006 0.000 1.975 601 C HN 0.569 nan 8.230 nan 0.000 0.582 602 D N 0.957 121.339 120.400 -0.029 0.000 2.149 602 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 602 D C 1.088 177.284 176.300 -0.173 0.000 1.001 602 D CA 1.830 55.762 54.000 -0.114 0.000 0.849 602 D CB -0.181 40.469 40.800 -0.249 0.000 0.939 602 D HN 0.588 nan 8.370 nan 0.000 0.449 603 Y N -0.308 120.036 120.300 0.073 0.000 2.467 603 Y HA 0.282 4.832 4.550 -0.000 0.000 0.250 603 Y C 0.582 176.522 175.900 0.067 0.000 1.155 603 Y CA -0.378 57.761 58.100 0.065 0.000 1.249 603 Y CB 0.222 38.697 38.460 0.025 0.000 1.146 603 Y HN -0.196 nan 8.280 nan 0.000 0.524 604 L N 2.971 124.294 121.223 0.166 0.000 2.562 604 L HA 0.016 4.356 4.340 -0.000 0.000 0.271 604 L C 0.355 177.283 176.870 0.098 0.000 1.167 604 L CA 0.424 55.337 54.840 0.123 0.000 0.917 604 L CB 0.370 42.458 42.059 0.048 0.000 1.187 604 L HN 0.329 nan 8.230 nan 0.000 0.482 605 D N 1.639 122.092 120.400 0.089 0.000 2.525 605 D HA 0.006 4.646 4.640 -0.000 0.000 0.231 605 D C 1.046 177.358 176.300 0.020 0.000 1.216 605 D CA -0.211 53.815 54.000 0.043 0.000 0.813 605 D CB 0.321 41.132 40.800 0.018 0.000 1.108 605 D HN 0.396 nan 8.370 nan 0.000 0.524 606 R N 0.569 121.102 120.500 0.054 0.000 2.507 606 R HA 0.229 4.569 4.340 -0.000 0.000 0.298 606 R C 0.215 176.627 176.300 0.186 0.000 0.999 606 R CA -0.001 56.149 56.100 0.084 0.000 1.082 606 R CB 0.524 30.844 30.300 0.033 0.000 1.246 606 R HN 0.382 nan 8.270 nan 0.000 0.553 607 Q N -0.203 119.684 119.800 0.144 0.000 2.575 607 Q HA 0.409 4.749 4.340 -0.000 0.000 0.290 607 Q C -1.503 174.614 176.000 0.195 0.000 0.963 607 Q CA -1.193 54.655 55.803 0.076 0.000 0.783 607 Q CB 1.500 30.215 28.738 -0.037 0.000 1.467 607 Q HN 0.093 nan 8.270 nan 0.000 0.402 608 Y N -1.851 118.441 120.300 -0.013 0.000 2.689 608 Y HA 0.677 5.226 4.550 -0.000 0.000 0.333 608 Y C -1.258 174.676 175.900 0.057 0.000 1.208 608 Y CA -1.651 56.462 58.100 0.023 0.000 1.055 608 Y CB 1.274 39.754 38.460 0.034 0.000 1.304 608 Y HN 0.499 nan 8.280 nan 0.000 0.455 609 M N 2.869 122.625 119.600 0.260 0.000 2.188 609 M HA 0.327 4.807 4.480 -0.000 0.000 0.357 609 M C -1.178 175.314 176.300 0.319 0.000 1.204 609 M CA -0.584 54.850 55.300 0.224 0.000 1.095 609 M CB 1.301 34.032 32.600 0.219 0.000 1.604 609 M HN 0.738 nan 8.290 nan 0.000 0.464 610 L N 3.725 125.119 121.223 0.285 0.000 2.283 610 L HA 0.629 4.969 4.340 -0.000 0.000 0.281 610 L C 0.435 177.489 176.870 0.306 0.000 1.033 610 L CA 0.648 55.695 54.840 0.345 0.000 0.848 610 L CB 0.243 42.525 42.059 0.373 0.000 1.226 610 L HN 0.959 nan 8.230 nan 0.000 0.429 611 G N 3.755 112.657 108.800 0.171 0.000 2.796 611 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.226 611 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.226 611 G C 0.394 175.376 174.900 0.138 0.000 1.381 611 G CA -0.034 45.106 45.100 0.067 0.000 0.867 611 G HN 0.567 nan 8.290 nan 0.000 0.552 612 D N 0.256 120.707 120.400 0.085 0.000 2.149 612 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 612 D C 2.102 178.483 176.300 0.135 0.000 1.001 612 D CA 1.860 55.903 54.000 0.072 0.000 0.849 612 D CB 0.015 40.843 40.800 0.047 0.000 0.939 612 D HN 0.390 nan 8.370 nan 0.000 0.449 613 N N -0.620 118.229 118.700 0.249 0.000 2.197 613 N HA 0.037 4.777 4.740 -0.000 0.000 0.201 613 N C -0.102 175.445 175.510 0.061 0.000 1.148 613 N CA 0.023 53.133 53.050 0.101 0.000 0.883 613 N CB 2.110 40.599 38.487 0.005 0.000 1.012 613 N HN 0.090 nan 8.380 nan 0.000 0.507 614 V N 1.079 121.076 119.914 0.139 0.000 2.531 614 V HA 0.503 4.623 4.120 -0.000 0.000 0.301 614 V C -0.717 175.447 176.094 0.118 0.000 1.034 614 V CA -0.771 61.574 62.300 0.075 0.000 0.865 614 V CB 2.198 33.959 31.823 -0.103 0.000 0.995 614 V HN -0.090 nan 8.190 nan 0.000 0.424 615 M N 7.291 126.942 119.600 0.085 0.000 2.113 615 M HA 0.525 5.005 4.480 -0.000 0.000 0.352 615 M C -1.161 174.971 176.300 -0.280 0.000 1.170 615 M CA -0.214 55.020 55.300 -0.111 0.000 1.053 615 M CB 1.161 33.597 32.600 -0.273 0.000 1.601 615 M HN 0.837 nan 8.290 nan 0.000 0.459 616 V N 5.374 125.005 119.914 -0.471 0.000 2.495 616 V HA 0.891 5.011 4.120 -0.000 0.000 0.298 616 V C -1.000 174.703 176.094 -0.651 0.000 1.031 616 V CA -0.360 61.595 62.300 -0.575 0.000 0.871 616 V CB 1.553 33.098 31.823 -0.463 0.000 0.988 616 V HN 0.957 nan 8.190 nan 0.000 0.432 617 A N 7.840 130.368 122.820 -0.486 0.000 2.431 617 A HA 0.843 5.163 4.320 -0.000 0.000 0.318 617 A C -2.747 174.655 177.584 -0.303 0.000 1.330 617 A CA -1.746 50.080 52.037 -0.352 0.000 0.804 617 A CB 0.742 19.511 19.000 -0.385 0.000 1.135 617 A HN 0.744 nan 8.150 nan 0.000 0.483 618 P HA 0.118 nan 4.420 nan 0.000 0.267 618 P C -0.269 176.671 177.300 -0.600 0.000 1.201 618 P CA 0.136 62.941 63.100 -0.492 0.000 0.775 618 P CB 0.646 31.857 31.700 -0.816 0.000 0.854 619 V N 3.671 123.271 119.914 -0.524 0.000 2.383 619 V HA 0.184 4.304 4.120 -0.000 0.000 0.275 619 V C 0.422 176.205 176.094 -0.518 0.000 1.036 619 V CA 0.198 62.282 62.300 -0.360 0.000 0.889 619 V CB 0.058 31.789 31.823 -0.153 0.000 0.985 619 V HN 0.429 nan 8.190 nan 0.000 0.459 620 F N 2.592 122.419 119.950 -0.205 0.000 2.668 620 F HA 0.252 4.779 4.527 -0.000 0.000 0.297 620 F C 1.139 176.388 175.800 -0.918 0.000 1.124 620 F CA -0.233 57.523 58.000 -0.406 0.000 1.353 620 F CB 0.431 39.323 39.000 -0.181 0.000 0.992 620 F HN 0.560 nan 8.300 nan 0.000 0.524 621 T N -4.460 109.728 114.554 -0.610 0.000 2.909 621 T HA 0.272 4.622 4.350 -0.000 0.000 0.299 621 T C 0.679 175.275 174.700 -0.174 0.000 1.073 621 T CA -0.700 61.125 62.100 -0.458 0.000 0.999 621 T CB 2.369 71.151 68.868 -0.143 0.000 1.098 621 T HN 0.191 nan 8.240 nan 0.000 0.477 622 E N 1.308 121.549 120.200 0.068 0.000 2.072 622 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 622 E C 2.136 178.770 176.600 0.057 0.000 0.982 622 E CA 1.065 57.594 56.400 0.215 0.000 0.803 622 E CB -0.385 29.274 29.700 -0.068 0.000 0.755 622 E HN 0.818 nan 8.360 nan 0.000 0.453 623 A N 0.023 122.842 122.820 -0.001 0.000 2.172 623 A HA 0.096 4.416 4.320 -0.000 0.000 0.216 623 A C 1.841 179.383 177.584 -0.070 0.000 1.154 623 A CA 1.278 53.296 52.037 -0.032 0.000 0.701 623 A CB -0.544 18.451 19.000 -0.008 0.000 0.789 623 A HN 0.542 nan 8.150 nan 0.000 0.465 624 G N -0.939 107.818 108.800 -0.071 0.000 2.175 624 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 624 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 624 G C -0.323 174.598 174.900 0.034 0.000 0.982 624 G CA 0.107 45.177 45.100 -0.050 0.000 0.641 624 G HN 0.507 nan 8.290 nan 0.000 0.527 625 D N 0.268 120.684 120.400 0.025 0.000 2.390 625 D HA 0.440 5.079 4.640 -0.000 0.000 0.249 625 D C 0.006 176.358 176.300 0.086 0.000 1.144 625 D CA 0.716 54.753 54.000 0.062 0.000 0.880 625 D CB 2.317 43.139 40.800 0.037 0.000 1.182 625 D HN 0.430 nan 8.370 nan 0.000 0.451 626 V N 2.268 122.273 119.914 0.151 0.000 2.969 626 V HA 0.239 4.359 4.120 -0.000 0.000 0.304 626 V C -1.652 174.612 176.094 0.284 0.000 1.192 626 V CA -0.591 61.829 62.300 0.200 0.000 0.962 626 V CB 2.340 34.265 31.823 0.169 0.000 1.045 626 V HN 0.457 nan 8.190 nan 0.000 0.428 627 Q N 5.294 125.281 119.800 0.312 0.000 2.337 627 Q HA 0.766 5.106 4.340 -0.000 0.000 0.266 627 Q C -1.488 174.814 176.000 0.503 0.000 1.023 627 Q CA -0.471 55.536 55.803 0.341 0.000 0.829 627 Q CB 2.649 31.562 28.738 0.292 0.000 1.306 627 Q HN 0.747 nan 8.270 nan 0.000 0.449 628 F N -1.071 119.009 119.950 0.218 0.000 2.668 628 F HA 0.554 5.081 4.527 -0.000 0.000 0.309 628 F C -1.840 173.613 175.800 -0.579 0.000 1.117 628 F CA -1.403 56.478 58.000 -0.198 0.000 0.951 628 F CB 0.978 39.864 39.000 -0.191 0.000 1.323 628 F HN 0.461 nan 8.300 nan 0.000 0.451 629 Y N 2.578 122.275 120.300 -1.006 0.000 2.342 629 Y HA 0.749 5.299 4.550 -0.000 0.000 0.334 629 Y C -1.703 173.838 175.900 -0.599 0.000 1.067 629 Y CA -1.287 56.141 58.100 -1.119 0.000 1.128 629 Y CB 1.476 39.095 38.460 -1.401 0.000 1.200 629 Y HN 0.724 nan 8.280 nan 0.000 0.464 630 L N 9.102 129.508 121.223 -1.361 0.000 2.325 630 L HA 0.560 4.900 4.340 -0.000 0.000 0.281 630 L C -2.274 173.728 176.870 -1.445 0.000 1.004 630 L CA -2.785 51.284 54.840 -1.285 0.000 0.823 630 L CB 1.314 42.789 42.059 -0.974 0.000 1.236 630 L HN 0.599 nan 8.230 nan 0.000 0.415 631 P HA 0.009 nan 4.420 nan 0.000 0.272 631 P C -0.363 176.888 177.300 -0.081 0.000 1.248 631 P CA -0.405 62.405 63.100 -0.485 0.000 0.799 631 P CB 0.453 31.604 31.700 -0.915 0.000 0.997 632 E N 0.120 120.329 120.200 0.015 0.000 2.442 632 E HA 0.307 4.657 4.350 -0.000 0.000 0.262 632 E C 0.254 176.936 176.600 0.136 0.000 1.004 632 E CA 0.674 57.125 56.400 0.085 0.000 0.928 632 E CB -0.289 29.459 29.700 0.080 0.000 0.937 632 E HN 0.648 nan 8.360 nan 0.000 0.446 633 G N 3.011 111.869 108.800 0.096 0.000 2.354 633 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.582 633 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.582 633 G C -1.176 173.747 174.900 0.037 0.000 1.316 633 G CA -0.664 44.421 45.100 -0.025 0.000 0.995 633 G HN 0.579 nan 8.290 nan 0.000 0.573 634 R N -0.112 120.347 120.500 -0.070 0.000 2.215 634 R HA 0.526 4.866 4.340 -0.000 0.000 0.337 634 R C -0.798 175.505 176.300 0.005 0.000 1.010 634 R CA -0.678 55.443 56.100 0.035 0.000 0.871 634 R CB 0.384 30.698 30.300 0.022 0.000 1.134 634 R HN 0.451 nan 8.270 nan 0.000 0.477 635 W N 2.228 123.517 121.300 -0.017 0.000 2.375 635 W HA 0.359 5.019 4.660 -0.000 0.000 0.336 635 W C -0.042 176.589 176.519 0.186 0.000 1.160 635 W CA -0.250 57.118 57.345 0.038 0.000 1.266 635 W CB 1.830 31.267 29.460 -0.039 0.000 1.195 635 W HN 0.322 nan 8.180 nan 0.000 0.599 636 T N 1.718 116.545 114.554 0.455 0.000 2.824 636 T HA 0.106 4.456 4.350 -0.000 0.000 0.282 636 T C -0.643 174.168 174.700 0.185 0.000 0.993 636 T CA -0.659 61.681 62.100 0.400 0.000 0.967 636 T CB 0.961 70.094 68.868 0.442 0.000 0.960 636 T HN 0.277 nan 8.240 nan 0.000 0.441 637 H N 2.897 121.860 119.070 -0.177 0.000 2.964 637 H HA 0.053 4.609 4.556 -0.000 0.000 0.328 637 H C 0.901 176.035 175.328 -0.322 0.000 1.030 637 H CA -0.313 55.305 56.048 -0.716 0.000 1.445 637 H CB 0.845 30.149 29.762 -0.763 0.000 1.449 637 H HN 0.530 nan 8.280 nan 0.000 0.581 638 L N 6.253 127.202 121.223 -0.458 0.000 2.079 638 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 638 L C 1.771 178.795 176.870 0.257 0.000 1.081 638 L CA 2.151 56.973 54.840 -0.031 0.000 0.752 638 L CB -0.484 41.567 42.059 -0.014 0.000 0.896 638 L HN 0.818 nan 8.230 nan 0.000 0.433 639 W N -4.198 117.232 121.300 0.218 0.000 2.873 639 W HA 0.257 4.917 4.660 -0.000 0.000 0.282 639 W C 1.844 178.385 176.519 0.038 0.000 1.118 639 W CA 0.000 57.395 57.345 0.083 0.000 1.480 639 W CB -0.725 28.760 29.460 0.042 0.000 0.954 639 W HN -0.049 nan 8.180 nan 0.000 0.591 640 H N 1.124 119.965 119.070 -0.382 0.000 2.495 640 H HA -0.002 4.554 4.556 -0.000 0.000 0.287 640 H C 0.795 176.071 175.328 -0.087 0.000 1.033 640 H CA 1.275 57.116 56.048 -0.346 0.000 1.307 640 H CB -0.409 28.918 29.762 -0.725 0.000 1.401 640 H HN 0.206 nan 8.280 nan 0.000 0.555 641 N N 1.082 119.852 118.700 0.117 0.000 2.828 641 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 641 N C -0.682 174.920 175.510 0.153 0.000 1.044 641 N CA 1.023 54.166 53.050 0.156 0.000 0.851 641 N CB -0.972 37.595 38.487 0.134 0.000 1.136 641 N HN 0.693 nan 8.380 nan 0.000 0.572 642 D N -0.154 120.336 120.400 0.150 0.000 2.313 642 D HA 0.177 4.817 4.640 -0.000 0.000 0.247 642 D C -0.188 176.278 176.300 0.277 0.000 1.094 642 D CA 0.153 54.253 54.000 0.167 0.000 0.925 642 D CB 1.046 41.921 40.800 0.126 0.000 1.188 642 D HN 0.280 nan 8.370 nan 0.000 0.430 643 E N 0.348 120.679 120.200 0.219 0.000 2.207 643 E HA 0.597 4.947 4.350 -0.000 0.000 0.270 643 E C -0.673 176.010 176.600 0.138 0.000 0.927 643 E CA -0.887 55.646 56.400 0.221 0.000 0.799 643 E CB 2.305 32.098 29.700 0.155 0.000 1.172 643 E HN 0.354 nan 8.360 nan 0.000 0.404 644 L N 1.876 123.146 121.223 0.079 0.000 2.455 644 L HA 0.376 4.715 4.340 -0.000 0.000 0.264 644 L C -0.861 176.021 176.870 0.021 0.000 0.968 644 L CA -1.067 53.716 54.840 -0.095 0.000 0.827 644 L CB 2.129 43.844 42.059 -0.573 0.000 1.317 644 L HN 0.410 nan 8.230 nan 0.000 0.407 645 D N 1.484 121.929 120.400 0.076 0.000 2.302 645 D HA 0.361 5.001 4.640 -0.000 0.000 0.248 645 D C 0.238 176.619 176.300 0.134 0.000 1.094 645 D CA 0.141 54.207 54.000 0.111 0.000 0.897 645 D CB 2.195 43.042 40.800 0.078 0.000 1.200 645 D HN 0.661 nan 8.370 nan 0.000 0.429 646 G N -0.570 108.298 108.800 0.113 0.000 2.532 646 G HA2 0.357 4.317 3.960 -0.000 0.000 0.291 646 G HA3 0.357 4.317 3.960 -0.000 0.000 0.291 646 G C 0.100 174.943 174.900 -0.096 0.000 1.349 646 G CA 0.070 45.166 45.100 -0.006 0.000 1.038 646 G HN 0.866 nan 8.290 nan 0.000 0.518 647 S N -1.925 113.644 115.700 -0.218 0.000 3.635 647 S HA -0.199 4.271 4.470 -0.000 0.000 0.328 647 S C 0.227 174.795 174.600 -0.053 0.000 1.135 647 S CA 1.630 59.776 58.200 -0.091 0.000 0.942 647 S CB -2.162 61.061 63.200 0.038 0.000 0.930 647 S HN 1.792 nan 8.310 nan 0.000 0.512 648 R N -2.257 118.054 120.500 -0.316 0.000 2.712 648 R HA 0.651 4.991 4.340 -0.000 0.000 0.272 648 R C -1.331 174.722 176.300 -0.413 0.000 1.032 648 R CA -1.251 54.739 56.100 -0.184 0.000 0.874 648 R CB -0.063 30.091 30.300 -0.242 0.000 1.256 648 R HN 0.206 nan 8.270 nan 0.000 0.468 649 W N 1.086 122.205 121.300 -0.302 0.000 2.237 649 W HA 0.405 5.065 4.660 -0.000 0.000 0.335 649 W C 0.400 176.481 176.519 -0.730 0.000 1.230 649 W CA 0.552 57.684 57.345 -0.355 0.000 1.253 649 W CB 0.792 30.146 29.460 -0.176 0.000 1.129 649 W HN 0.298 nan 8.180 nan 0.000 0.590 650 H N 1.546 120.372 119.070 -0.406 0.000 2.768 650 H HA 0.348 4.904 4.556 -0.000 0.000 0.371 650 H C -1.040 174.025 175.328 -0.438 0.000 1.151 650 H CA -1.111 54.600 56.048 -0.563 0.000 1.165 650 H CB 2.491 31.625 29.762 -1.047 0.000 1.722 650 H HN 0.241 nan 8.280 nan 0.000 0.543 651 K N 2.313 122.661 120.400 -0.087 0.000 2.376 651 K HA 0.347 4.667 4.320 -0.000 0.000 0.257 651 K C -1.010 175.647 176.600 0.095 0.000 0.939 651 K CA -0.424 55.874 56.287 0.018 0.000 0.809 651 K CB 1.560 34.072 32.500 0.020 0.000 1.121 651 K HN 0.620 nan 8.250 nan 0.000 0.425 652 Q N 1.888 121.813 119.800 0.208 0.000 2.605 652 Q HA 0.298 4.638 4.340 -0.000 0.000 0.296 652 Q C -1.498 174.643 176.000 0.236 0.000 1.056 652 Q CA -1.098 54.854 55.803 0.248 0.000 0.778 652 Q CB 2.769 31.781 28.738 0.457 0.000 1.497 652 Q HN 0.527 nan 8.270 nan 0.000 0.443 653 Q N 0.643 120.532 119.800 0.147 0.000 2.304 653 Q HA 0.360 4.700 4.340 -0.000 0.000 0.270 653 Q C -1.747 174.244 176.000 -0.015 0.000 1.035 653 Q CA -0.320 55.541 55.803 0.098 0.000 0.781 653 Q CB 1.485 30.229 28.738 0.011 0.000 1.261 653 Q HN 0.598 nan 8.270 nan 0.000 0.444 654 H N 1.836 120.895 119.070 -0.018 0.000 2.679 654 H HA 0.418 4.974 4.556 -0.000 0.000 0.360 654 H C -0.223 175.047 175.328 -0.096 0.000 1.105 654 H CA -0.585 55.453 56.048 -0.017 0.000 1.196 654 H CB 2.188 31.979 29.762 0.048 0.000 1.636 654 H HN 0.874 nan 8.280 nan 0.000 0.531 655 G N 0.548 109.343 108.800 -0.008 0.000 2.535 655 G HA2 0.149 4.109 3.960 -0.000 0.000 0.282 655 G HA3 0.149 4.109 3.960 -0.000 0.000 0.282 655 G C 0.242 175.112 174.900 -0.050 0.000 1.350 655 G CA -0.413 44.601 45.100 -0.143 0.000 1.039 655 G HN 0.472 nan 8.290 nan 0.000 0.509 656 F N -1.223 118.847 119.950 0.200 0.000 2.502 656 F HA 0.092 4.619 4.527 -0.000 0.000 0.298 656 F C 2.120 178.097 175.800 0.295 0.000 1.111 656 F CA 0.161 58.307 58.000 0.244 0.000 1.445 656 F CB 0.063 39.202 39.000 0.231 0.000 1.081 656 F HN 0.032 nan 8.300 nan 0.000 0.558 657 L N -1.135 120.274 121.223 0.309 0.000 2.629 657 L HA 0.210 4.550 4.340 -0.000 0.000 0.230 657 L C 0.466 177.470 176.870 0.223 0.000 1.151 657 L CA 0.203 55.082 54.840 0.064 0.000 0.924 657 L CB -1.127 40.765 42.059 -0.278 0.000 1.137 657 L HN -0.058 nan 8.230 nan 0.000 0.457 658 S N -0.279 115.741 115.700 0.533 0.000 2.564 658 S HA 0.871 5.341 4.470 -0.000 0.000 0.274 658 S C -1.053 173.882 174.600 0.558 0.000 1.124 658 S CA -0.589 58.039 58.200 0.714 0.000 0.869 658 S CB 1.386 64.981 63.200 0.659 0.000 1.105 658 S HN 0.131 nan 8.310 nan 0.000 0.472 659 L N -0.004 121.468 121.223 0.414 0.000 2.838 659 L HA 0.753 5.093 4.340 -0.000 0.000 0.266 659 L C -3.141 173.542 176.870 -0.312 0.000 1.040 659 L CA -2.514 52.207 54.840 -0.197 0.000 0.906 659 L CB 1.731 43.754 42.059 -0.060 0.000 1.501 659 L HN 0.330 nan 8.230 nan 0.000 0.407 660 P HA 0.200 nan 4.420 nan 0.000 0.269 660 P C -0.880 176.144 177.300 -0.461 0.000 1.263 660 P CA 0.095 62.936 63.100 -0.432 0.000 0.813 660 P CB 0.789 31.914 31.700 -0.958 0.000 0.868 661 V N 5.983 125.461 119.914 -0.726 0.000 2.340 661 V HA 0.301 4.420 4.120 -0.000 0.000 0.277 661 V C -0.730 174.806 176.094 -0.930 0.000 1.017 661 V CA -0.506 61.390 62.300 -0.674 0.000 0.820 661 V CB 0.118 31.677 31.823 -0.440 0.000 1.028 661 V HN 0.374 nan 8.190 nan 0.000 0.436 662 Y N 2.474 122.521 120.300 -0.420 0.000 2.393 662 Y HA 0.674 5.224 4.550 -0.000 0.000 0.341 662 Y C 0.141 176.067 175.900 0.044 0.000 0.988 662 Y CA -0.804 57.179 58.100 -0.195 0.000 1.078 662 Y CB 2.292 40.662 38.460 -0.150 0.000 1.203 662 Y HN 0.366 nan 8.280 nan 0.000 0.453 663 V N 4.306 124.260 119.914 0.066 0.000 2.472 663 V HA 0.467 4.587 4.120 -0.000 0.000 0.290 663 V C 0.060 176.007 176.094 -0.245 0.000 1.037 663 V CA -1.346 60.812 62.300 -0.236 0.000 0.908 663 V CB 1.350 32.591 31.823 -0.971 0.000 0.985 663 V HN 0.707 nan 8.190 nan 0.000 0.454 664 R N 2.050 122.224 120.500 -0.542 0.000 2.694 664 R HA 0.205 4.545 4.340 -0.000 0.000 0.268 664 R C -0.115 175.816 176.300 -0.616 0.000 1.061 664 R CA -0.520 54.923 56.100 -1.095 0.000 1.133 664 R CB 0.338 30.167 30.300 -0.784 0.000 1.020 664 R HN 0.938 nan 8.270 nan 0.000 0.475 665 D N 1.234 121.271 120.400 -0.605 0.000 2.362 665 D HA -0.106 4.534 4.640 -0.000 0.000 0.238 665 D C -0.143 176.029 176.300 -0.214 0.000 1.212 665 D CA -0.270 53.555 54.000 -0.291 0.000 0.902 665 D CB 0.238 40.883 40.800 -0.259 0.000 1.180 665 D HN 0.534 nan 8.370 nan 0.000 0.445 666 N N -0.895 117.731 118.700 -0.122 0.000 2.740 666 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 666 N C -0.915 174.586 175.510 -0.016 0.000 1.062 666 N CA 0.968 53.972 53.050 -0.076 0.000 0.704 666 N CB -1.494 36.918 38.487 -0.124 0.000 0.968 666 N HN 0.557 nan 8.380 nan 0.000 0.547 667 T N 1.012 115.588 114.554 0.038 0.000 2.841 667 T HA 0.563 4.912 4.350 -0.000 0.000 0.283 667 T C -0.195 174.629 174.700 0.207 0.000 1.000 667 T CA -0.531 61.609 62.100 0.067 0.000 0.977 667 T CB 2.377 71.209 68.868 -0.059 0.000 0.979 667 T HN 0.164 nan 8.240 nan 0.000 0.446 668 L N 4.255 125.583 121.223 0.174 0.000 2.319 668 L HA 0.728 5.068 4.340 -0.000 0.000 0.281 668 L C -1.406 175.628 176.870 0.273 0.000 1.005 668 L CA -0.685 54.293 54.840 0.229 0.000 0.828 668 L CB 1.032 43.166 42.059 0.125 0.000 1.227 668 L HN 0.601 nan 8.230 nan 0.000 0.415 669 L N 4.686 126.131 121.223 0.370 0.000 2.346 669 L HA 0.893 5.233 4.340 -0.000 0.000 0.276 669 L C -0.343 176.729 176.870 0.337 0.000 1.006 669 L CA -0.255 54.765 54.840 0.301 0.000 0.817 669 L CB 1.807 43.995 42.059 0.215 0.000 1.272 669 L HN 0.762 nan 8.230 nan 0.000 0.421 670 A N 5.291 128.257 122.820 0.243 0.000 2.252 670 A HA 0.658 4.978 4.320 -0.000 0.000 0.309 670 A C -1.128 176.478 177.584 0.038 0.000 1.285 670 A CA -0.405 51.662 52.037 0.050 0.000 0.900 670 A CB 0.323 19.334 19.000 0.018 0.000 1.157 670 A HN 0.495 nan 8.150 nan 0.000 0.536 671 L N 2.264 123.509 121.223 0.037 0.000 2.331 671 L HA 0.721 5.061 4.340 -0.000 0.000 0.275 671 L C 0.890 177.805 176.870 0.075 0.000 1.022 671 L CA 0.010 54.894 54.840 0.074 0.000 0.812 671 L CB 1.641 43.767 42.059 0.113 0.000 1.257 671 L HN 0.775 nan 8.230 nan 0.000 0.435 672 G N 0.743 109.643 108.800 0.168 0.000 2.491 672 G HA2 0.352 4.312 3.960 -0.000 0.000 0.327 672 G HA3 0.352 4.312 3.960 -0.000 0.000 0.327 672 G C 0.282 175.314 174.900 0.219 0.000 1.189 672 G CA -0.422 44.873 45.100 0.325 0.000 0.956 672 G HN 0.710 nan 8.290 nan 0.000 0.491 673 N N -0.368 118.450 118.700 0.196 0.000 2.276 673 N HA 0.021 4.761 4.740 -0.000 0.000 0.212 673 N C -0.233 175.185 175.510 -0.153 0.000 1.127 673 N CA -0.423 52.640 53.050 0.023 0.000 0.834 673 N CB 0.344 38.850 38.487 0.032 0.000 1.014 673 N HN 0.321 nan 8.380 nan 0.000 0.491 674 N N 0.961 119.409 118.700 -0.420 0.000 2.346 674 N HA 0.111 4.851 4.740 -0.000 0.000 0.289 674 N C -1.146 174.110 175.510 -0.424 0.000 1.027 674 N CA -0.326 52.342 53.050 -0.637 0.000 0.864 674 N CB 1.735 39.447 38.487 -1.291 0.000 1.370 674 N HN 0.171 nan 8.380 nan 0.000 0.481 675 D N 1.698 121.971 120.400 -0.211 0.000 2.479 675 D HA 0.084 4.724 4.640 -0.000 0.000 0.218 675 D C 0.188 176.471 176.300 -0.028 0.000 1.177 675 D CA 0.257 54.200 54.000 -0.095 0.000 0.830 675 D CB 0.467 41.214 40.800 -0.089 0.000 1.014 675 D HN 0.317 nan 8.370 nan 0.000 0.503 676 Q N 0.476 120.255 119.800 -0.035 0.000 2.378 676 Q HA 0.199 4.539 4.340 -0.000 0.000 0.216 676 Q C 0.414 176.551 176.000 0.228 0.000 0.892 676 Q CA 0.419 56.264 55.803 0.071 0.000 0.931 676 Q CB 1.360 30.108 28.738 0.017 0.000 1.086 676 Q HN 0.554 nan 8.270 nan 0.000 0.528 677 R N -1.099 119.467 120.500 0.111 0.000 2.663 677 R HA 0.342 4.682 4.340 -0.000 0.000 0.267 677 R C -2.667 173.730 176.300 0.161 0.000 1.038 677 R CA -1.234 54.907 56.100 0.067 0.000 0.886 677 R CB 1.014 31.387 30.300 0.121 0.000 1.249 677 R HN -0.311 nan 8.270 nan 0.000 0.463 678 P HA -0.041 nan 4.420 nan 0.000 0.226 678 P C -0.658 176.883 177.300 0.402 0.000 1.161 678 P CA 0.895 64.173 63.100 0.296 0.000 0.804 678 P CB 0.052 31.856 31.700 0.173 0.000 0.829 679 D N 0.856 121.409 120.400 0.254 0.000 2.428 679 D HA 0.211 4.851 4.640 -0.000 0.000 0.221 679 D C -0.111 176.181 176.300 -0.013 0.000 1.123 679 D CA -0.778 53.240 54.000 0.029 0.000 0.869 679 D CB 0.116 40.944 40.800 0.047 0.000 1.032 679 D HN 0.266 nan 8.370 nan 0.000 0.506 680 Y N -1.017 118.979 120.300 -0.506 0.000 2.853 680 Y HA 0.426 4.976 4.550 -0.000 0.000 0.326 680 Y C -1.201 174.228 175.900 -0.785 0.000 1.384 680 Y CA -1.739 56.084 58.100 -0.462 0.000 1.077 680 Y CB 0.938 39.277 38.460 -0.202 0.000 1.395 680 Y HN 0.062 nan 8.280 nan 0.000 0.451 681 V N 3.129 122.852 119.914 -0.318 0.000 2.313 681 V HA 0.124 4.244 4.120 -0.000 0.000 0.252 681 V C -0.047 175.864 176.094 -0.306 0.000 1.112 681 V CA -0.456 61.575 62.300 -0.447 0.000 0.984 681 V CB -0.618 30.971 31.823 -0.391 0.000 1.157 681 V HN 0.836 nan 8.190 nan 0.000 0.493 682 W N 4.636 125.794 121.300 -0.237 0.000 2.374 682 W HA -0.118 4.542 4.660 -0.000 0.000 0.288 682 W C 2.177 178.665 176.519 -0.052 0.000 1.218 682 W CA 1.704 58.922 57.345 -0.212 0.000 1.245 682 W CB -0.816 28.506 29.460 -0.229 0.000 1.126 682 W HN 0.984 nan 8.180 nan 0.000 0.545 683 H N -0.853 118.310 119.070 0.155 0.000 2.533 683 H HA 0.287 4.843 4.556 -0.000 0.000 0.271 683 H C -0.543 174.819 175.328 0.056 0.000 1.000 683 H CA 0.453 56.561 56.048 0.100 0.000 1.149 683 H CB -0.277 29.547 29.762 0.103 0.000 1.375 683 H HN 0.114 nan 8.280 nan 0.000 0.582 684 E N 0.164 120.286 120.200 -0.130 0.000 2.210 684 E HA 0.387 4.737 4.350 -0.000 0.000 0.266 684 E C 0.122 176.737 176.600 0.026 0.000 0.883 684 E CA -0.564 55.799 56.400 -0.061 0.000 0.761 684 E CB 2.014 31.619 29.700 -0.157 0.000 1.156 684 E HN 0.380 nan 8.360 nan 0.000 0.412 685 G N 2.776 111.612 108.800 0.061 0.000 2.155 685 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.257 685 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.257 685 G C 0.362 175.310 174.900 0.080 0.000 0.983 685 G CA 0.496 45.637 45.100 0.068 0.000 0.676 685 G HN 0.495 nan 8.290 nan 0.000 0.528 686 T N 0.862 115.459 114.554 0.072 0.000 2.908 686 T HA 0.463 4.813 4.350 -0.000 0.000 0.301 686 T C 0.651 175.284 174.700 -0.111 0.000 1.019 686 T CA 0.722 62.761 62.100 -0.101 0.000 1.152 686 T CB 1.559 70.228 68.868 -0.331 0.000 0.966 686 T HN 1.444 nan 8.240 nan 0.000 0.540 687 A N 3.906 126.642 122.820 -0.139 0.000 2.322 687 A HA 0.624 4.944 4.320 -0.000 0.000 0.327 687 A C -0.331 177.181 177.584 -0.119 0.000 1.394 687 A CA -0.729 51.280 52.037 -0.047 0.000 0.921 687 A CB -0.226 18.836 19.000 0.102 0.000 1.153 687 A HN 0.688 nan 8.150 nan 0.000 0.523 688 F N 2.088 122.101 119.950 0.105 0.000 2.399 688 F HA 0.342 4.869 4.527 -0.000 0.000 0.342 688 F C 1.030 176.778 175.800 -0.087 0.000 1.106 688 F CA 0.598 58.657 58.000 0.098 0.000 1.196 688 F CB 0.878 39.923 39.000 0.076 0.000 1.163 688 F HN 0.492 nan 8.300 nan 0.000 0.547 689 H N 3.597 122.820 119.070 0.254 0.000 2.609 689 H HA 0.393 4.949 4.556 -0.000 0.000 0.344 689 H C -1.304 174.034 175.328 0.017 0.000 1.040 689 H CA -0.892 55.184 56.048 0.046 0.000 1.216 689 H CB 2.487 32.237 29.762 -0.019 0.000 1.529 689 H HN 0.439 nan 8.280 nan 0.000 0.519 690 L N 3.929 125.120 121.223 -0.054 0.000 2.296 690 L HA 0.437 4.777 4.340 -0.000 0.000 0.286 690 L C -1.591 175.215 176.870 -0.108 0.000 1.023 690 L CA -0.280 54.574 54.840 0.023 0.000 0.812 690 L CB 0.446 42.519 42.059 0.023 0.000 1.223 690 L HN 0.354 nan 8.230 nan 0.000 0.421 691 F N 4.034 124.006 119.950 0.036 0.000 2.477 691 F HA 0.409 4.936 4.527 -0.000 0.000 0.335 691 F C 0.782 176.561 175.800 -0.035 0.000 1.130 691 F CA -0.725 57.281 58.000 0.009 0.000 0.948 691 F CB 1.079 40.073 39.000 -0.010 0.000 1.154 691 F HN 0.642 nan 8.300 nan 0.000 0.439 692 N N 2.758 121.525 118.700 0.111 0.000 2.686 692 N HA -0.230 4.510 4.740 -0.000 0.000 0.261 692 N C -0.888 174.606 175.510 -0.027 0.000 1.001 692 N CA -0.120 52.947 53.050 0.029 0.000 0.764 692 N CB -0.415 38.081 38.487 0.016 0.000 0.898 692 N HN 0.466 nan 8.380 nan 0.000 0.544 693 L N 1.422 122.637 121.223 -0.013 0.000 2.313 693 L HA 0.132 4.472 4.340 -0.000 0.000 0.282 693 L C 0.635 177.475 176.870 -0.050 0.000 1.092 693 L CA 0.047 54.870 54.840 -0.029 0.000 0.831 693 L CB 0.661 42.727 42.059 0.012 0.000 1.159 693 L HN 0.312 nan 8.230 nan 0.000 0.442 694 Q N 2.479 122.203 119.800 -0.126 0.000 2.221 694 Q HA 0.147 4.487 4.340 -0.000 0.000 0.242 694 Q C -0.601 175.471 176.000 0.119 0.000 0.940 694 Q CA -0.805 54.953 55.803 -0.075 0.000 0.896 694 Q CB 1.449 30.026 28.738 -0.268 0.000 1.226 694 Q HN 0.474 nan 8.270 nan 0.000 0.463 695 D N -0.184 120.283 120.400 0.112 0.000 2.458 695 D HA 0.090 4.730 4.640 -0.000 0.000 0.243 695 D C 0.737 177.145 176.300 0.180 0.000 1.146 695 D CA 1.765 55.832 54.000 0.112 0.000 0.877 695 D CB 0.505 41.342 40.800 0.062 0.000 1.176 695 D HN 0.743 nan 8.370 nan 0.000 0.461 696 G N 3.219 112.072 108.800 0.088 0.000 2.194 696 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.236 696 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.236 696 G C 0.338 175.125 174.900 -0.189 0.000 0.987 696 G CA 0.085 45.159 45.100 -0.044 0.000 0.635 696 G HN 0.708 nan 8.290 nan 0.000 0.520 697 H N 0.229 119.292 119.070 -0.011 0.000 2.616 697 H HA 0.650 5.206 4.556 -0.000 0.000 0.353 697 H C -0.631 174.688 175.328 -0.015 0.000 1.170 697 H CA -0.361 55.678 56.048 -0.013 0.000 1.212 697 H CB 2.136 31.890 29.762 -0.013 0.000 1.653 697 H HN 0.357 nan 8.280 nan 0.000 0.537 698 E N 0.867 121.125 120.200 0.095 0.000 2.248 698 E HA 0.579 4.929 4.350 -0.000 0.000 0.267 698 E C -1.583 175.045 176.600 0.046 0.000 0.877 698 E CA -1.028 55.397 56.400 0.043 0.000 0.759 698 E CB 1.934 31.634 29.700 0.000 0.000 1.182 698 E HN 0.707 nan 8.360 nan 0.000 0.418 699 A N 3.416 126.252 122.820 0.027 0.000 2.331 699 A HA 0.601 4.921 4.320 -0.000 0.000 0.320 699 A C -1.069 176.511 177.584 -0.007 0.000 1.138 699 A CA -0.588 51.462 52.037 0.022 0.000 0.790 699 A CB 1.327 20.351 19.000 0.042 0.000 1.206 699 A HN 0.350 nan 8.150 nan 0.000 0.470 700 V N 1.053 120.962 119.914 -0.008 0.000 2.628 700 V HA 0.582 4.702 4.120 -0.000 0.000 0.306 700 V C -0.411 175.681 176.094 -0.004 0.000 1.045 700 V CA -0.586 61.691 62.300 -0.038 0.000 0.905 700 V CB 1.540 33.335 31.823 -0.045 0.000 0.997 700 V HN 1.063 nan 8.190 nan 0.000 0.436 701 C N 4.239 123.523 119.300 -0.026 0.000 2.397 701 C HA 0.608 5.068 4.460 -0.000 0.000 0.325 701 C C -0.401 174.606 174.990 0.027 0.000 1.201 701 C CA -0.395 58.658 59.018 0.060 0.000 1.377 701 C CB 0.508 28.344 27.740 0.160 0.000 2.038 701 C HN 1.010 nan 8.230 nan 0.000 0.457 702 E N 4.380 124.613 120.200 0.055 0.000 2.114 702 E HA 0.402 4.752 4.350 -0.000 0.000 0.266 702 E C -0.728 175.938 176.600 0.110 0.000 0.896 702 E CA -0.399 56.025 56.400 0.041 0.000 0.750 702 E CB 1.738 31.436 29.700 -0.003 0.000 1.121 702 E HN 0.589 nan 8.360 nan 0.000 0.413 703 V N 5.612 125.645 119.914 0.199 0.000 2.488 703 V HA 0.214 4.334 4.120 -0.000 0.000 0.277 703 V C -1.881 174.339 176.094 0.210 0.000 1.046 703 V CA -1.530 60.916 62.300 0.244 0.000 0.986 703 V CB 0.470 32.529 31.823 0.394 0.000 0.989 703 V HN 0.576 nan 8.190 nan 0.000 0.475 704 P HA 0.492 nan 4.420 nan 0.000 0.282 704 P C -0.546 177.005 177.300 0.418 0.000 1.259 704 P CA -0.465 62.789 63.100 0.257 0.000 0.826 704 P CB 1.513 33.356 31.700 0.238 0.000 1.064 705 A N 1.611 124.616 122.820 0.308 0.000 2.249 705 A HA 0.537 4.857 4.320 -0.000 0.000 0.281 705 A C 1.687 179.479 177.584 0.347 0.000 1.127 705 A CA 0.190 52.379 52.037 0.254 0.000 0.833 705 A CB -0.577 18.489 19.000 0.110 0.000 1.140 705 A HN 0.501 nan 8.150 nan 0.000 0.502 706 A N -0.305 122.579 122.820 0.107 0.000 2.019 706 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 706 A C 1.360 179.090 177.584 0.243 0.000 1.164 706 A CA 2.113 54.165 52.037 0.025 0.000 0.644 706 A CB -0.696 18.228 19.000 -0.126 0.000 0.805 706 A HN 0.868 nan 8.150 nan 0.000 0.449 707 D N -2.525 118.007 120.400 0.220 0.000 2.340 707 D HA 0.265 4.905 4.640 -0.000 0.000 0.220 707 D C 1.208 177.656 176.300 0.246 0.000 1.039 707 D CA 1.043 55.172 54.000 0.215 0.000 0.866 707 D CB -0.443 40.430 40.800 0.121 0.000 0.913 707 D HN 0.756 nan 8.370 nan 0.000 0.523 708 G N 0.097 109.097 108.800 0.335 0.000 2.195 708 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 708 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 708 G C 0.450 175.413 174.900 0.104 0.000 0.984 708 G CA 0.371 45.588 45.100 0.195 0.000 0.633 708 G HN 0.827 nan 8.290 nan 0.000 0.525 709 S N -0.484 115.280 115.700 0.108 0.000 2.593 709 S HA 0.584 5.054 4.470 -0.000 0.000 0.269 709 S C 0.418 175.064 174.600 0.077 0.000 1.334 709 S CA -0.092 58.147 58.200 0.066 0.000 1.015 709 S CB 2.147 65.379 63.200 0.053 0.000 0.912 709 S HN 1.034 nan 8.310 nan 0.000 0.541 710 V N 2.968 122.909 119.914 0.045 0.000 2.408 710 V HA 0.210 4.330 4.120 -0.000 0.000 0.267 710 V C 1.042 177.165 176.094 0.048 0.000 1.047 710 V CA -0.147 62.181 62.300 0.047 0.000 0.937 710 V CB 0.387 32.215 31.823 0.009 0.000 0.999 710 V HN 0.975 nan 8.190 nan 0.000 0.472 711 I N 4.448 125.063 120.570 0.075 0.000 3.035 711 I HA 0.273 4.443 4.170 -0.000 0.000 0.271 711 I C 0.149 176.350 176.117 0.141 0.000 1.190 711 I CA 0.660 61.985 61.300 0.042 0.000 1.472 711 I CB 0.458 38.404 38.000 -0.090 0.000 1.116 711 I HN 0.536 nan 8.210 nan 0.000 0.443 712 F N 0.005 119.952 119.950 -0.004 0.000 2.596 712 F HA 0.450 4.977 4.527 -0.000 0.000 0.311 712 F C -1.115 174.676 175.800 -0.015 0.000 1.116 712 F CA -0.493 57.506 58.000 -0.003 0.000 0.957 712 F CB 1.783 40.807 39.000 0.040 0.000 1.250 712 F HN -0.390 nan 8.300 nan 0.000 0.444 713 T N 6.733 120.791 114.554 -0.827 0.000 2.847 713 T HA 0.459 4.809 4.350 -0.000 0.000 0.291 713 T C -1.121 172.958 174.700 -1.036 0.000 0.998 713 T CA -0.501 61.204 62.100 -0.658 0.000 0.967 713 T CB 1.208 69.855 68.868 -0.368 0.000 0.954 713 T HN 0.537 nan 8.240 nan 0.000 0.441 714 L N 3.764 124.517 121.223 -0.784 0.000 2.307 714 L HA 0.592 4.932 4.340 -0.000 0.000 0.284 714 L C -0.419 176.220 176.870 -0.385 0.000 1.023 714 L CA -0.702 53.720 54.840 -0.697 0.000 0.810 714 L CB 1.250 42.741 42.059 -0.946 0.000 1.231 714 L HN 0.514 nan 8.230 nan 0.000 0.423 715 K N 3.621 123.852 120.400 -0.282 0.000 2.378 715 K HA 0.726 5.046 4.320 -0.000 0.000 0.252 715 K C -1.129 175.407 176.600 -0.108 0.000 0.931 715 K CA -0.656 55.535 56.287 -0.161 0.000 0.794 715 K CB 2.533 34.956 32.500 -0.129 0.000 1.181 715 K HN 0.594 nan 8.250 nan 0.000 0.425 716 A N 1.587 124.370 122.820 -0.062 0.000 2.335 716 A HA 0.747 5.066 4.320 -0.000 0.000 0.304 716 A C -1.203 176.379 177.584 -0.004 0.000 1.118 716 A CA -0.633 51.389 52.037 -0.025 0.000 0.757 716 A CB 1.298 20.293 19.000 -0.010 0.000 1.188 716 A HN 0.699 nan 8.150 nan 0.000 0.460 717 A N 2.716 125.537 122.820 0.001 0.000 2.356 717 A HA 0.775 5.095 4.320 -0.000 0.000 0.310 717 A C -0.165 177.430 177.584 0.018 0.000 1.075 717 A CA -0.620 51.423 52.037 0.011 0.000 0.746 717 A CB 0.941 19.939 19.000 -0.003 0.000 1.221 717 A HN 0.851 nan 8.150 nan 0.000 0.443 718 R N 1.186 121.706 120.500 0.034 0.000 2.393 718 R HA 0.631 4.970 4.340 -0.000 0.000 0.310 718 R C -1.050 175.266 176.300 0.028 0.000 0.968 718 R CA 0.020 56.140 56.100 0.033 0.000 0.867 718 R CB 1.369 31.695 30.300 0.043 0.000 1.124 718 R HN 0.709 nan 8.270 nan 0.000 0.450 719 T N 2.789 117.354 114.554 0.018 0.000 3.011 719 T HA 0.498 4.848 4.350 -0.000 0.000 0.303 719 T C 0.290 174.998 174.700 0.013 0.000 0.997 719 T CA 0.615 62.722 62.100 0.013 0.000 1.007 719 T CB 1.018 69.889 68.868 0.005 0.000 1.017 719 T HN 0.928 nan 8.240 nan 0.000 0.443 720 G N 5.547 114.355 108.800 0.014 0.000 2.556 720 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.283 720 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.283 720 G C 0.156 175.062 174.900 0.011 0.000 1.177 720 G CA 0.400 45.508 45.100 0.012 0.000 0.978 720 G HN 0.785 nan 8.290 nan 0.000 0.554 721 N N 1.422 120.128 118.700 0.010 0.000 2.453 721 N HA 0.435 5.175 4.740 -0.000 0.000 0.270 721 N C -0.577 174.938 175.510 0.009 0.000 1.195 721 N CA 0.565 53.617 53.050 0.005 0.000 0.902 721 N CB 0.923 39.412 38.487 0.002 0.000 1.186 721 N HN 0.549 nan 8.380 nan 0.000 0.510 722 T N 0.773 115.334 114.554 0.012 0.000 2.847 722 T HA 0.420 4.770 4.350 -0.000 0.000 0.291 722 T C -0.366 174.343 174.700 0.015 0.000 0.998 722 T CA -0.612 61.497 62.100 0.014 0.000 0.967 722 T CB 1.115 69.991 68.868 0.014 0.000 0.954 722 T HN 0.141 nan 8.240 nan 0.000 0.441 723 I N 1.761 122.341 120.570 0.016 0.000 2.359 723 I HA 0.687 4.857 4.170 -0.000 0.000 0.294 723 I C -0.430 175.699 176.117 0.020 0.000 0.987 723 I CA 0.159 61.470 61.300 0.018 0.000 1.225 723 I CB 1.581 39.592 38.000 0.019 0.000 1.366 723 I HN 0.414 nan 8.210 nan 0.000 0.466 724 T N 6.623 121.187 114.554 0.016 0.000 2.770 724 T HA 0.581 4.931 4.350 -0.000 0.000 0.283 724 T C -0.564 174.143 174.700 0.012 0.000 0.988 724 T CA -0.422 61.688 62.100 0.016 0.000 0.957 724 T CB 1.254 70.127 68.868 0.009 0.000 0.930 724 T HN 0.445 nan 8.240 nan 0.000 0.443 725 V N 4.107 124.037 119.914 0.027 0.000 2.417 725 V HA 0.756 4.876 4.120 -0.000 0.000 0.291 725 V C 0.319 176.430 176.094 0.030 0.000 1.024 725 V CA -0.744 61.571 62.300 0.025 0.000 0.861 725 V CB 1.606 33.474 31.823 0.075 0.000 0.985 725 V HN 1.060 nan 8.190 nan 0.000 0.436 726 T N 1.632 116.171 114.554 -0.025 0.000 2.921 726 T HA 0.765 5.114 4.350 -0.000 0.000 0.297 726 T C -0.205 174.423 174.700 -0.120 0.000 1.013 726 T CA -0.281 61.803 62.100 -0.026 0.000 0.990 726 T CB 1.619 70.468 68.868 -0.031 0.000 1.023 726 T HN 0.929 nan 8.240 nan 0.000 0.447 727 G N 1.101 109.863 108.800 -0.064 0.000 2.432 727 G HA2 0.810 4.770 3.960 -0.000 0.000 0.331 727 G HA3 0.810 4.770 3.960 -0.000 0.000 0.331 727 G C -0.871 173.919 174.900 -0.184 0.000 1.170 727 G CA -0.778 44.177 45.100 -0.241 0.000 0.943 727 G HN 1.291 nan 8.290 nan 0.000 0.483 728 A N 0.051 122.613 122.820 -0.430 0.000 2.488 728 A HA 1.025 5.345 4.320 -0.000 0.000 0.298 728 A C 0.275 177.756 177.584 -0.171 0.000 1.044 728 A CA 0.367 52.299 52.037 -0.175 0.000 0.693 728 A CB 1.380 20.292 19.000 -0.147 0.000 1.272 728 A HN 2.639 nan 8.150 nan 0.000 0.402 729 G N 0.403 109.272 108.800 0.115 0.000 2.396 729 G HA2 0.193 4.153 3.960 -0.000 0.000 0.254 729 G HA3 0.193 4.153 3.960 -0.000 0.000 0.254 729 G C -0.505 174.644 174.900 0.415 0.000 1.248 729 G CA -0.105 45.133 45.100 0.229 0.000 1.033 729 G HN 1.212 nan 8.290 nan 0.000 0.502 730 E N 0.352 120.731 120.200 0.299 0.000 2.081 730 E HA 0.618 4.968 4.350 -0.000 0.000 0.276 730 E C -0.005 176.644 176.600 0.082 0.000 0.950 730 E CA -0.068 56.433 56.400 0.167 0.000 0.776 730 E CB 0.713 30.443 29.700 0.050 0.000 1.094 730 E HN 1.516 nan 8.360 nan 0.000 0.402 731 A N 4.235 127.013 122.820 -0.071 0.000 2.594 731 A HA 0.702 5.022 4.320 -0.000 0.000 0.295 731 A C -1.508 176.128 177.584 0.087 0.000 1.071 731 A CA -0.897 51.038 52.037 -0.170 0.000 0.685 731 A CB 1.793 20.139 19.000 -1.090 0.000 1.285 731 A HN 0.491 nan 8.150 nan 0.000 0.405 732 K N 0.926 121.431 120.400 0.175 0.000 2.501 732 K HA 0.544 4.864 4.320 -0.000 0.000 0.252 732 K C -0.108 176.569 176.600 0.128 0.000 0.934 732 K CA -0.156 56.210 56.287 0.131 0.000 0.797 732 K CB 1.430 33.972 32.500 0.070 0.000 1.270 732 K HN 0.857 nan 8.250 nan 0.000 0.431 733 N N 2.249 120.959 118.700 0.017 0.000 2.783 733 N HA -0.130 4.610 4.740 -0.000 0.000 0.247 733 N C -1.073 174.474 175.510 0.062 0.000 1.089 733 N CA 0.261 53.301 53.050 -0.018 0.000 0.690 733 N CB -0.182 38.307 38.487 0.004 0.000 0.991 733 N HN 0.602 nan 8.380 nan 0.000 0.552 734 W N 0.515 121.836 121.300 0.035 0.000 2.578 734 W HA 0.699 5.359 4.660 -0.000 0.000 0.353 734 W C -0.179 176.415 176.519 0.126 0.000 1.088 734 W CA -0.061 57.343 57.345 0.099 0.000 1.235 734 W CB 0.593 30.204 29.460 0.252 0.000 1.362 734 W HN 0.078 nan 8.180 nan 0.000 0.592 735 T N -0.046 114.822 114.554 0.523 0.000 2.906 735 T HA 0.613 4.963 4.350 -0.000 0.000 0.295 735 T C -1.369 173.645 174.700 0.523 0.000 1.075 735 T CA -1.004 61.303 62.100 0.345 0.000 1.005 735 T CB 2.280 71.219 68.868 0.119 0.000 1.136 735 T HN 0.603 nan 8.240 nan 0.000 0.498 736 L N 1.940 123.366 121.223 0.339 0.000 2.342 736 L HA 0.537 4.877 4.340 -0.000 0.000 0.276 736 L C -0.736 176.168 176.870 0.057 0.000 0.997 736 L CA -0.697 54.302 54.840 0.265 0.000 0.838 736 L CB 0.799 43.052 42.059 0.324 0.000 1.224 736 L HN 1.109 nan 8.230 nan 0.000 0.416 737 C N 6.762 126.002 119.300 -0.100 0.000 2.325 737 C HA 0.413 4.873 4.460 -0.000 0.000 0.347 737 C C 0.490 175.418 174.990 -0.103 0.000 1.263 737 C CA -0.736 58.193 59.018 -0.149 0.000 1.806 737 C CB -0.349 27.191 27.740 -0.332 0.000 2.405 737 C HN 0.728 nan 8.230 nan 0.000 0.537 738 L N 8.186 129.376 121.223 -0.055 0.000 2.356 738 L HA 0.338 4.678 4.340 -0.000 0.000 0.282 738 L C 0.679 177.502 176.870 -0.078 0.000 1.132 738 L CA -0.203 54.604 54.840 -0.055 0.000 0.923 738 L CB -0.427 41.622 42.059 -0.018 0.000 1.278 738 L HN 0.611 nan 8.230 nan 0.000 0.436 739 R N 3.413 123.813 120.500 -0.168 0.000 2.538 739 R HA -0.042 4.297 4.340 -0.000 0.000 0.282 739 R C 0.719 176.982 176.300 -0.063 0.000 1.009 739 R CA 0.051 56.047 56.100 -0.173 0.000 1.063 739 R CB -0.068 29.955 30.300 -0.460 0.000 0.945 739 R HN 0.611 nan 8.270 nan 0.000 0.414 740 N N -0.445 118.249 118.700 -0.010 0.000 2.708 740 N HA -0.179 4.561 4.740 -0.000 0.000 0.251 740 N C -0.905 174.616 175.510 0.018 0.000 1.123 740 N CA 1.021 54.084 53.050 0.022 0.000 0.739 740 N CB -0.750 37.762 38.487 0.042 0.000 1.113 740 N HN 0.267 nan 8.380 nan 0.000 0.561 741 V N 1.542 121.461 119.914 0.008 0.000 2.334 741 V HA 0.206 4.326 4.120 -0.000 0.000 0.281 741 V C 1.614 177.727 176.094 0.032 0.000 1.016 741 V CA -0.343 61.967 62.300 0.016 0.000 0.832 741 V CB 1.615 33.438 31.823 0.001 0.000 0.999 741 V HN 0.105 nan 8.190 nan 0.000 0.439 742 V N 1.796 121.740 119.914 0.051 0.000 2.725 742 V HA 0.301 4.421 4.120 -0.000 0.000 0.247 742 V C 0.739 176.870 176.094 0.062 0.000 1.058 742 V CA 0.911 63.243 62.300 0.053 0.000 1.080 742 V CB -0.191 31.665 31.823 0.055 0.000 0.713 742 V HN 0.669 nan 8.190 nan 0.000 0.465 743 K N -0.380 120.077 120.400 0.096 0.000 2.469 743 K HA 0.677 4.997 4.320 -0.000 0.000 0.254 743 K C -1.815 174.874 176.600 0.147 0.000 0.939 743 K CA -0.489 55.863 56.287 0.108 0.000 0.812 743 K CB 3.030 35.591 32.500 0.102 0.000 1.301 743 K HN 0.092 nan 8.250 nan 0.000 0.433 744 V N 2.464 122.442 119.914 0.106 0.000 3.001 744 V HA 0.273 4.392 4.120 -0.000 0.000 0.314 744 V C 0.450 176.602 176.094 0.096 0.000 1.099 744 V CA -0.435 61.923 62.300 0.097 0.000 0.989 744 V CB 1.859 33.714 31.823 0.054 0.000 1.040 744 V HN 1.020 nan 8.190 nan 0.000 0.434 745 N N 3.008 121.767 118.700 0.098 0.000 2.207 745 N HA 0.323 5.063 4.740 -0.000 0.000 0.182 745 N C 0.423 175.959 175.510 0.044 0.000 1.020 745 N CA 1.336 54.431 53.050 0.074 0.000 0.858 745 N CB 0.129 38.666 38.487 0.084 0.000 0.991 745 N HN 1.024 nan 8.380 nan 0.000 0.427 746 G N -0.699 108.124 108.800 0.040 0.000 2.550 746 G HA2 0.541 4.501 3.960 -0.000 0.000 0.293 746 G HA3 0.541 4.501 3.960 -0.000 0.000 0.293 746 G C -2.251 172.664 174.900 0.025 0.000 1.402 746 G CA -0.663 44.454 45.100 0.028 0.000 0.784 746 G HN 0.192 nan 8.290 nan 0.000 0.482 747 L N -0.316 120.919 121.223 0.020 0.000 2.641 747 L HA 0.508 4.848 4.340 -0.000 0.000 0.261 747 L C -1.462 175.417 176.870 0.014 0.000 0.926 747 L CA -0.701 54.150 54.840 0.018 0.000 0.917 747 L CB 2.154 44.223 42.059 0.016 0.000 1.361 747 L HN 0.518 nan 8.230 nan 0.000 0.417 748 Q N 2.688 122.497 119.800 0.015 0.000 2.353 748 Q HA 0.374 4.714 4.340 -0.000 0.000 0.268 748 Q C -0.825 175.183 176.000 0.013 0.000 1.045 748 Q CA -0.527 55.283 55.803 0.013 0.000 0.811 748 Q CB 2.184 30.930 28.738 0.015 0.000 1.305 748 Q HN 0.736 nan 8.270 nan 0.000 0.447 749 D N 0.343 120.746 120.400 0.006 0.000 2.907 749 D HA -0.138 4.502 4.640 -0.000 0.000 0.226 749 D C -0.096 176.196 176.300 -0.013 0.000 1.141 749 D CA 1.697 55.698 54.000 0.001 0.000 0.779 749 D CB -0.732 40.077 40.800 0.014 0.000 1.095 749 D HN 0.826 nan 8.370 nan 0.000 0.430 750 G N -1.792 106.998 108.800 -0.017 0.000 2.495 750 G HA2 0.617 4.577 3.960 -0.000 0.000 0.294 750 G HA3 0.617 4.577 3.960 -0.000 0.000 0.294 750 G C -1.045 173.839 174.900 -0.026 0.000 1.397 750 G CA -0.066 45.013 45.100 -0.035 0.000 0.790 750 G HN 0.524 nan 8.290 nan 0.000 0.486 751 S N -1.011 114.668 115.700 -0.035 0.000 2.600 751 S HA 0.800 5.270 4.470 -0.000 0.000 0.300 751 S C -0.491 174.098 174.600 -0.018 0.000 1.087 751 S CA -0.733 57.453 58.200 -0.024 0.000 0.965 751 S CB 2.010 65.192 63.200 -0.030 0.000 1.089 751 S HN 0.988 nan 8.310 nan 0.000 0.496 752 Q N 0.282 120.077 119.800 -0.008 0.000 2.416 752 Q HA 0.888 5.228 4.340 -0.000 0.000 0.279 752 Q C -1.101 174.899 176.000 -0.000 0.000 1.101 752 Q CA -1.560 54.242 55.803 -0.001 0.000 0.830 752 Q CB 2.026 30.768 28.738 0.008 0.000 1.402 752 Q HN 1.005 nan 8.270 nan 0.000 0.445 753 A N 0.927 123.749 122.820 0.004 0.000 2.574 753 A HA 0.483 4.803 4.320 -0.000 0.000 0.297 753 A C -1.357 176.235 177.584 0.013 0.000 1.062 753 A CA -0.854 51.187 52.037 0.006 0.000 0.686 753 A CB 1.550 20.552 19.000 0.003 0.000 1.285 753 A HN 0.759 nan 8.150 nan 0.000 0.403 754 E N 0.606 120.815 120.200 0.016 0.000 2.390 754 E HA 0.492 4.842 4.350 -0.000 0.000 0.261 754 E C 0.384 177.000 176.600 0.026 0.000 1.076 754 E CA 0.529 56.943 56.400 0.022 0.000 0.905 754 E CB 0.956 30.669 29.700 0.023 0.000 0.984 754 E HN 0.821 nan 8.360 nan 0.000 0.427 755 S N 0.035 115.755 115.700 0.033 0.000 2.638 755 S HA 0.128 4.598 4.470 -0.000 0.000 0.274 755 S C 0.581 175.212 174.600 0.052 0.000 1.157 755 S CA -0.825 57.402 58.200 0.045 0.000 0.826 755 S CB 1.177 64.409 63.200 0.052 0.000 1.139 755 S HN 0.634 nan 8.310 nan 0.000 0.474 756 E N 0.346 120.584 120.200 0.063 0.000 2.268 756 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 756 E C 1.356 178.002 176.600 0.077 0.000 0.995 756 E CA 0.906 57.347 56.400 0.069 0.000 0.836 756 E CB -0.366 29.381 29.700 0.078 0.000 0.763 756 E HN 0.727 nan 8.360 nan 0.000 0.491 757 Q N 0.618 120.470 119.800 0.087 0.000 2.398 757 Q HA 0.185 4.525 4.340 -0.000 0.000 0.204 757 Q C 0.496 176.527 176.000 0.052 0.000 0.932 757 Q CA 0.635 56.492 55.803 0.090 0.000 0.916 757 Q CB 0.924 29.743 28.738 0.135 0.000 1.024 757 Q HN 0.374 nan 8.270 nan 0.000 0.504 758 G N -0.412 108.414 108.800 0.043 0.000 2.369 758 G HA2 0.030 3.990 3.960 -0.000 0.000 0.307 758 G HA3 0.030 3.990 3.960 -0.000 0.000 0.307 758 G C -1.982 172.929 174.900 0.018 0.000 1.327 758 G CA -1.197 43.917 45.100 0.023 0.000 0.963 758 G HN -0.033 nan 8.290 nan 0.000 0.590 759 L N 0.024 121.255 121.223 0.014 0.000 2.525 759 L HA 0.475 4.815 4.340 -0.000 0.000 0.278 759 L C 0.601 177.473 176.870 0.004 0.000 1.218 759 L CA 0.139 54.988 54.840 0.014 0.000 0.878 759 L CB 1.153 43.223 42.059 0.019 0.000 1.127 759 L HN 0.499 nan 8.230 nan 0.000 0.492 760 V N 5.485 125.402 119.914 0.005 0.000 2.417 760 V HA 0.443 4.563 4.120 -0.000 0.000 0.291 760 V C -0.282 175.817 176.094 0.008 0.000 1.024 760 V CA -0.773 61.527 62.300 0.001 0.000 0.861 760 V CB 1.797 33.620 31.823 -0.000 0.000 0.985 760 V HN 0.456 nan 8.190 nan 0.000 0.436 761 V N 4.405 124.332 119.914 0.021 0.000 2.435 761 V HA 0.527 4.647 4.120 -0.000 0.000 0.290 761 V C -0.115 175.972 176.094 -0.011 0.000 1.030 761 V CA -0.917 61.391 62.300 0.014 0.000 0.881 761 V CB 1.803 33.647 31.823 0.036 0.000 0.983 761 V HN 0.816 nan 8.190 nan 0.000 0.445 762 K N 7.568 127.929 120.400 -0.065 0.000 2.265 762 K HA 0.514 4.834 4.320 -0.000 0.000 0.267 762 K C -2.663 173.815 176.600 -0.204 0.000 0.994 762 K CA -2.254 53.941 56.287 -0.153 0.000 0.860 762 K CB 1.609 34.036 32.500 -0.122 0.000 1.099 762 K HN 0.358 nan 8.250 nan 0.000 0.448 763 P HA 0.028 nan 4.420 nan 0.000 0.271 763 P C -0.637 176.528 177.300 -0.226 0.000 1.220 763 P CA -0.109 62.802 63.100 -0.315 0.000 0.768 763 P CB 1.463 32.816 31.700 -0.577 0.000 0.848 764 Q N 2.662 122.390 119.800 -0.120 0.000 1.900 764 Q HA 0.227 4.567 4.340 -0.000 0.000 0.322 764 Q C 1.511 177.477 176.000 -0.057 0.000 0.959 764 Q CA 0.619 56.373 55.803 -0.082 0.000 0.866 764 Q CB -1.156 27.552 28.738 -0.050 0.000 1.196 764 Q HN 0.583 nan 8.270 nan 0.000 0.458 765 G N 1.073 109.858 108.800 -0.025 0.000 2.583 765 G HA2 0.055 4.015 3.960 -0.000 0.000 0.275 765 G HA3 0.055 4.015 3.960 -0.000 0.000 0.275 765 G C -0.047 174.867 174.900 0.023 0.000 1.342 765 G CA -0.213 44.887 45.100 0.000 0.000 1.030 765 G HN 0.248 nan 8.290 nan 0.000 0.520 766 N N -0.095 118.632 118.700 0.047 0.000 2.886 766 N HA 0.466 5.206 4.740 -0.000 0.000 0.285 766 N C -0.222 175.327 175.510 0.065 0.000 1.706 766 N CA -0.203 52.895 53.050 0.080 0.000 0.904 766 N CB 0.864 39.425 38.487 0.123 0.000 1.224 766 N HN 0.551 nan 8.380 nan 0.000 0.488 767 A N 1.678 124.529 122.820 0.052 0.000 3.308 767 A HA 0.207 4.527 4.320 -0.000 0.000 0.275 767 A C -0.415 177.196 177.584 0.045 0.000 0.950 767 A CA -0.534 51.529 52.037 0.044 0.000 0.987 767 A CB -0.107 18.911 19.000 0.030 0.000 1.146 767 A HN 0.322 nan 8.150 nan 0.000 0.488 768 L N 1.452 122.714 121.223 0.066 0.000 2.534 768 L HA 0.455 4.795 4.340 -0.000 0.000 0.271 768 L C -0.322 176.580 176.870 0.053 0.000 1.178 768 L CA 1.579 56.458 54.840 0.066 0.000 0.907 768 L CB 0.035 42.160 42.059 0.110 0.000 1.164 768 L HN 0.337 nan 8.230 nan 0.000 0.482 769 T N 6.855 121.432 114.554 0.039 0.000 2.921 769 T HA 0.584 4.934 4.350 -0.000 0.000 0.297 769 T C -0.704 174.014 174.700 0.030 0.000 1.013 769 T CA -0.275 61.844 62.100 0.032 0.000 0.990 769 T CB 1.221 70.104 68.868 0.025 0.000 1.023 769 T HN 0.620 nan 8.240 nan 0.000 0.447 770 I N 0.995 121.582 120.570 0.029 0.000 2.509 770 I HA 0.764 4.934 4.170 -0.000 0.000 0.293 770 I C -0.670 175.461 176.117 0.024 0.000 1.020 770 I CA -0.101 61.216 61.300 0.027 0.000 1.088 770 I CB 2.269 40.288 38.000 0.030 0.000 1.267 770 I HN 0.460 nan 8.210 nan 0.000 0.430 771 T N 8.013 122.582 114.554 0.026 0.000 2.809 771 T HA 0.475 4.825 4.350 -0.000 0.000 0.296 771 T C -0.167 174.552 174.700 0.032 0.000 1.015 771 T CA -0.479 61.636 62.100 0.026 0.000 0.954 771 T CB 0.570 69.455 68.868 0.029 0.000 0.950 771 T HN 0.361 nan 8.240 nan 0.000 0.450 772 L N 4.209 125.443 121.223 0.017 0.000 2.467 772 L HA 0.219 4.559 4.340 -0.000 0.000 0.270 772 L C 1.544 178.435 176.870 0.036 0.000 1.205 772 L CA -0.134 54.706 54.840 -0.000 0.000 0.828 772 L CB -0.135 41.892 42.059 -0.052 0.000 1.101 772 L HN 0.769 nan 8.230 nan 0.000 0.479 773 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 0.011 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496