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 1xsj_1_A 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 0.000 176.159 176.300 -0.235 0.000 1.140 1 M CA 0.000 55.166 55.300 -0.224 0.000 0.988 1 M CB 0.000 32.389 32.600 -0.351 0.000 1.302 2 K N 4.652 124.924 120.400 -0.214 0.000 2.297 2 K HA 0.420 4.740 4.320 0.000 0.000 0.286 2 K C 0.087 176.536 176.600 -0.252 0.000 1.053 2 K CA 0.065 56.232 56.287 -0.200 0.000 0.940 2 K CB 0.898 33.311 32.500 -0.146 0.000 1.019 2 K HN 0.694 nan 8.250 nan 0.000 0.475 3 I N 0.217 120.614 120.570 -0.287 0.000 3.366 3 I HA -0.099 4.071 4.170 0.000 0.000 0.267 3 I C 0.939 176.911 176.117 -0.240 0.000 1.149 3 I CA 0.207 61.304 61.300 -0.338 0.000 1.436 3 I CB 0.136 37.795 38.000 -0.569 0.000 1.379 3 I HN 0.497 nan 8.210 nan 0.000 0.460 4 S N 0.349 115.920 115.700 -0.215 0.000 2.614 4 S HA 0.174 4.644 4.470 0.000 0.000 0.265 4 S C -0.283 174.251 174.600 -0.110 0.000 1.303 4 S CA -0.460 57.654 58.200 -0.144 0.000 1.000 4 S CB 1.470 64.586 63.200 -0.140 0.000 0.935 4 S HN 0.218 nan 8.310 nan 0.000 0.551 5 D N 0.154 120.511 120.400 -0.072 0.000 2.434 5 D HA 0.487 5.127 4.640 0.000 0.000 0.275 5 D C 0.737 177.022 176.300 -0.025 0.000 1.172 5 D CA 0.743 54.716 54.000 -0.046 0.000 0.916 5 D CB -0.032 40.753 40.800 -0.026 0.000 1.041 5 D HN 1.101 nan 8.370 nan 0.000 0.501 6 G N 3.297 112.066 108.800 -0.052 0.000 2.752 6 G HA2 -0.371 3.589 3.960 0.000 0.000 0.234 6 G HA3 -0.371 3.589 3.960 0.000 0.000 0.234 6 G C 0.883 175.684 174.900 -0.166 0.000 1.367 6 G CA 0.055 45.112 45.100 -0.072 0.000 0.879 6 G HN 0.500 nan 8.290 nan 0.000 0.563 7 N N -0.719 117.775 118.700 -0.344 0.000 2.244 7 N HA -0.018 4.722 4.740 0.000 0.000 0.183 7 N C 1.915 177.089 175.510 -0.560 0.000 1.016 7 N CA 2.618 55.289 53.050 -0.632 0.000 0.866 7 N CB -0.147 37.634 38.487 -1.176 0.000 0.980 7 N HN 0.611 nan 8.380 nan 0.000 0.430 8 W N -0.391 120.896 121.300 -0.021 0.000 2.872 8 W HA 0.397 5.057 4.660 -0.000 0.000 0.266 8 W C 0.187 176.696 176.519 -0.016 0.000 1.276 8 W CA -0.539 56.796 57.345 -0.016 0.000 1.471 8 W CB 0.362 29.814 29.460 -0.014 0.000 1.071 8 W HN -0.141 nan 8.180 nan 0.000 0.619 9 L N -0.041 121.266 121.223 0.141 0.000 2.256 9 L HA 0.627 4.967 4.340 0.000 0.000 0.261 9 L C -0.408 176.472 176.870 0.017 0.000 1.022 9 L CA -1.345 53.545 54.840 0.083 0.000 0.828 9 L CB 1.800 43.904 42.059 0.075 0.000 1.374 9 L HN -0.332 nan 8.230 nan 0.000 0.436 10 I N -0.019 120.553 120.570 0.003 0.000 2.530 10 I HA 0.236 4.406 4.170 0.000 0.000 0.297 10 I C -0.341 175.750 176.117 -0.044 0.000 1.011 10 I CA -0.908 60.372 61.300 -0.033 0.000 1.107 10 I CB 1.811 39.796 38.000 -0.025 0.000 1.285 10 I HN 0.489 nan 8.210 nan 0.000 0.436 11 Q N 4.349 124.105 119.800 -0.074 0.000 2.310 11 Q HA 0.043 4.383 4.340 0.000 0.000 0.315 11 Q C -2.265 173.701 176.000 -0.056 0.000 1.081 11 Q CA -0.962 54.797 55.803 -0.073 0.000 0.981 11 Q CB -0.240 28.435 28.738 -0.105 0.000 1.184 11 Q HN 0.236 nan 8.270 nan 0.000 0.389 12 P HA 0.025 nan 4.420 nan 0.000 0.268 12 P C 0.617 177.895 177.300 -0.036 0.000 1.204 12 P CA 0.930 64.011 63.100 -0.032 0.000 0.768 12 P CB 0.481 32.166 31.700 -0.026 0.000 0.842 13 G N 1.923 110.706 108.800 -0.029 0.000 2.205 13 G HA2 -0.229 3.731 3.960 0.000 0.000 0.261 13 G HA3 -0.229 3.731 3.960 0.000 0.000 0.261 13 G C -0.110 174.767 174.900 -0.038 0.000 0.980 13 G CA -0.295 44.788 45.100 -0.029 0.000 0.632 13 G HN 0.454 nan 8.290 nan 0.000 0.533 14 L N 0.939 122.131 121.223 -0.052 0.000 2.292 14 L HA 0.492 4.832 4.340 0.000 0.000 0.284 14 L C -0.445 176.391 176.870 -0.057 0.000 1.065 14 L CA -0.918 53.881 54.840 -0.069 0.000 0.806 14 L CB 1.135 43.131 42.059 -0.104 0.000 1.175 14 L HN -0.001 nan 8.230 nan 0.000 0.431 15 N N 4.604 123.268 118.700 -0.060 0.000 2.417 15 N HA 0.547 5.287 4.740 0.000 0.000 0.274 15 N C -0.901 174.570 175.510 -0.064 0.000 0.987 15 N CA -0.387 52.635 53.050 -0.046 0.000 0.912 15 N CB 2.362 40.831 38.487 -0.030 0.000 1.177 15 N HN 0.420 nan 8.380 nan 0.000 0.490 16 L N 2.971 124.156 121.223 -0.063 0.000 2.325 16 L HA 0.664 5.004 4.340 0.000 0.000 0.278 16 L C 0.232 176.977 176.870 -0.209 0.000 1.023 16 L CA -1.064 53.703 54.840 -0.122 0.000 0.811 16 L CB 1.271 43.275 42.059 -0.092 0.000 1.249 16 L HN 0.436 nan 8.230 nan 0.000 0.431 17 I N -1.526 118.904 120.570 -0.232 0.000 2.730 17 I HA 0.611 4.781 4.170 0.000 0.000 0.298 17 I C -1.047 174.921 176.117 -0.248 0.000 1.089 17 I CA -0.631 60.556 61.300 -0.189 0.000 1.041 17 I CB 2.484 40.488 38.000 0.006 0.000 1.235 17 I HN 0.468 nan 8.210 nan 0.000 0.423 18 H N 2.551 121.728 119.070 0.178 0.000 2.851 18 H HA 0.451 5.007 4.556 0.000 0.000 0.372 18 H C -2.751 172.421 175.328 -0.261 0.000 1.158 18 H CA -1.922 54.026 56.048 -0.166 0.000 1.159 18 H CB 2.430 32.084 29.762 -0.180 0.000 1.757 18 H HN 0.433 nan 8.280 nan 0.000 0.546 19 P HA 0.111 nan 4.420 nan 0.000 0.270 19 P C 0.303 176.918 177.300 -1.142 0.000 1.242 19 P CA 0.053 62.701 63.100 -0.753 0.000 0.768 19 P CB 0.825 31.918 31.700 -1.012 0.000 0.820 20 L N 1.832 122.663 121.223 -0.653 0.000 2.878 20 L HA 0.312 4.652 4.340 0.000 0.000 0.253 20 L C 1.007 177.850 176.870 -0.046 0.000 1.135 20 L CA 0.243 54.843 54.840 -0.401 0.000 0.943 20 L CB 0.445 42.423 42.059 -0.135 0.000 1.307 20 L HN 0.391 nan 8.230 nan 0.000 0.545 21 Q N 1.005 120.828 119.800 0.039 0.000 2.281 21 Q HA 0.316 4.656 4.340 0.000 0.000 0.263 21 Q C -1.370 174.862 176.000 0.387 0.000 0.989 21 Q CA -0.396 55.572 55.803 0.276 0.000 0.852 21 Q CB 3.085 31.919 28.738 0.160 0.000 1.337 21 Q HN -0.120 nan 8.270 nan 0.000 0.418 22 V N 5.517 125.721 119.914 0.482 0.000 2.485 22 V HA -0.009 4.111 4.120 0.000 0.000 0.287 22 V C 0.674 176.967 176.094 0.332 0.000 1.022 22 V CA 0.694 63.247 62.300 0.421 0.000 1.067 22 V CB 0.020 32.011 31.823 0.281 0.000 0.967 22 V HN 0.818 nan 8.190 nan 0.000 0.479 23 F N 3.501 123.590 119.950 0.232 0.000 2.317 23 F HA 0.283 4.810 4.527 0.000 0.000 0.290 23 F C 1.016 176.917 175.800 0.168 0.000 1.075 23 F CA 0.848 58.953 58.000 0.175 0.000 1.380 23 F CB 0.521 39.617 39.000 0.161 0.000 1.093 23 F HN 0.575 nan 8.300 nan 0.000 0.524 24 E N 0.208 120.483 120.200 0.125 0.000 2.363 24 E HA 0.459 4.809 4.350 0.000 0.000 0.281 24 E C -2.025 174.731 176.600 0.259 0.000 0.953 24 E CA -0.689 55.732 56.400 0.035 0.000 0.778 24 E CB 2.107 31.793 29.700 -0.023 0.000 1.220 24 E HN -0.142 nan 8.360 nan 0.000 0.431 25 V N 3.156 123.161 119.914 0.153 0.000 2.495 25 V HA 0.532 4.652 4.120 0.000 0.000 0.298 25 V C -0.419 175.766 176.094 0.152 0.000 1.031 25 V CA -0.591 61.803 62.300 0.158 0.000 0.871 25 V CB 1.680 33.560 31.823 0.095 0.000 0.988 25 V HN 0.682 nan 8.190 nan 0.000 0.432 26 E N 2.641 122.944 120.200 0.171 0.000 2.292 26 E HA 0.409 4.759 4.350 0.000 0.000 0.272 26 E C -1.330 175.346 176.600 0.127 0.000 0.881 26 E CA -0.671 55.825 56.400 0.160 0.000 0.754 26 E CB 2.434 32.281 29.700 0.244 0.000 1.201 26 E HN 0.746 nan 8.360 nan 0.000 0.425 27 Q N 2.874 122.738 119.800 0.107 0.000 2.290 27 Q HA 0.229 4.569 4.340 0.000 0.000 0.259 27 Q C -1.106 174.951 176.000 0.094 0.000 0.941 27 Q CA -0.288 55.578 55.803 0.106 0.000 0.912 27 Q CB 1.164 29.958 28.738 0.093 0.000 1.244 27 Q HN 0.425 nan 8.270 nan 0.000 0.441 28 Q N 3.991 123.848 119.800 0.094 0.000 2.523 28 Q HA 0.135 4.475 4.340 0.000 0.000 0.251 28 Q C -0.885 175.159 176.000 0.073 0.000 1.033 28 Q CA -0.377 55.469 55.803 0.072 0.000 0.746 28 Q CB 1.081 29.852 28.738 0.055 0.000 1.189 28 Q HN 0.921 nan 8.270 nan 0.000 0.508 29 D N 2.239 122.680 120.400 0.069 0.000 4.134 29 D HA -0.282 4.358 4.640 0.000 0.000 0.141 29 D C 0.290 176.652 176.300 0.103 0.000 0.779 29 D CA 2.539 56.580 54.000 0.069 0.000 1.126 29 D CB -0.736 40.097 40.800 0.055 0.000 0.523 29 D HN 0.696 nan 8.370 nan 0.000 0.513 30 N N 1.503 120.280 118.700 0.129 0.000 2.273 30 N HA 0.205 4.945 4.740 0.000 0.000 0.231 30 N C -0.686 175.028 175.510 0.340 0.000 1.134 30 N CA 0.066 53.236 53.050 0.201 0.000 0.856 30 N CB 0.208 38.797 38.487 0.170 0.000 1.068 30 N HN 0.537 nan 8.380 nan 0.000 0.510 31 E N 0.197 120.543 120.200 0.244 0.000 2.288 31 E HA 0.336 4.686 4.350 0.000 0.000 0.268 31 E C -1.085 175.618 176.600 0.171 0.000 0.885 31 E CA -0.746 55.763 56.400 0.181 0.000 0.767 31 E CB 2.527 32.267 29.700 0.066 0.000 1.220 31 E HN 0.106 nan 8.360 nan 0.000 0.427 32 M N 2.861 122.538 119.600 0.129 0.000 2.167 32 M HA 0.348 4.828 4.480 0.000 0.000 0.333 32 M C -1.684 174.720 176.300 0.172 0.000 1.030 32 M CA -0.770 54.641 55.300 0.186 0.000 0.963 32 M CB 1.122 33.874 32.600 0.253 0.000 1.589 32 M HN 0.275 nan 8.290 nan 0.000 0.431 33 V N 5.735 125.708 119.914 0.099 0.000 2.435 33 V HA 0.538 4.658 4.120 0.000 0.000 0.290 33 V C -0.528 175.554 176.094 -0.019 0.000 1.030 33 V CA -0.732 61.553 62.300 -0.025 0.000 0.881 33 V CB 1.549 33.292 31.823 -0.133 0.000 0.983 33 V HN 0.668 nan 8.190 nan 0.000 0.445 34 V N 5.136 125.033 119.914 -0.029 0.000 2.444 34 V HA 0.439 4.559 4.120 0.000 0.000 0.294 34 V C -1.059 175.027 176.094 -0.014 0.000 1.022 34 V CA -0.771 61.589 62.300 0.100 0.000 0.850 34 V CB 1.516 33.523 31.823 0.306 0.000 0.992 34 V HN 0.745 nan 8.190 nan 0.000 0.426 35 Y N 2.906 123.370 120.300 0.273 0.000 2.350 35 Y HA 0.683 5.233 4.550 -0.000 0.000 0.340 35 Y C 0.547 176.654 175.900 0.346 0.000 1.006 35 Y CA -0.407 57.867 58.100 0.290 0.000 1.166 35 Y CB 1.522 40.169 38.460 0.310 0.000 1.168 35 Y HN 0.698 nan 8.280 nan 0.000 0.502 36 A N 2.597 125.672 122.820 0.425 0.000 2.335 36 A HA 0.830 5.150 4.320 0.000 0.000 0.304 36 A C -0.557 177.179 177.584 0.254 0.000 1.118 36 A CA -0.683 51.555 52.037 0.335 0.000 0.757 36 A CB 0.373 19.493 19.000 0.199 0.000 1.188 36 A HN 0.813 nan 8.150 nan 0.000 0.460 37 A N 3.774 126.711 122.820 0.195 0.000 2.340 37 A HA 0.726 5.046 4.320 0.000 0.000 0.268 37 A C -1.786 175.843 177.584 0.075 0.000 1.100 37 A CA -1.531 50.573 52.037 0.113 0.000 0.803 37 A CB 0.227 19.279 19.000 0.087 0.000 1.043 37 A HN 0.558 nan 8.150 nan 0.000 0.488 38 P HA 0.111 nan 4.420 nan 0.000 0.255 38 P C -0.254 177.050 177.300 0.006 0.000 1.301 38 P CA 0.341 63.482 63.100 0.067 0.000 0.817 38 P CB -0.214 31.538 31.700 0.086 0.000 1.259 39 R N -2.819 117.671 120.500 -0.017 0.000 2.741 39 R HA 0.403 4.743 4.340 0.000 0.000 0.274 39 R C -1.381 174.887 176.300 -0.054 0.000 1.029 39 R CA -0.895 55.164 56.100 -0.067 0.000 0.880 39 R CB -0.523 29.700 30.300 -0.128 0.000 1.264 39 R HN -0.376 nan 8.270 nan 0.000 0.465 40 D N 1.382 121.715 120.400 -0.111 0.000 2.368 40 D HA 0.087 4.727 4.640 0.000 0.000 0.268 40 D C 0.498 176.793 176.300 -0.009 0.000 1.298 40 D CA 0.014 53.974 54.000 -0.068 0.000 0.938 40 D CB 1.272 41.995 40.800 -0.128 0.000 1.101 40 D HN 0.496 nan 8.370 nan 0.000 0.509 41 V N 1.850 121.825 119.914 0.102 0.000 3.006 41 V HA 0.307 4.427 4.120 0.000 0.000 0.357 41 V C 1.722 177.965 176.094 0.248 0.000 1.377 41 V CA -0.448 61.961 62.300 0.182 0.000 1.198 41 V CB -0.160 31.727 31.823 0.107 0.000 1.216 41 V HN 0.314 nan 8.190 nan 0.000 0.520 42 R N 1.140 121.761 120.500 0.202 0.000 2.105 42 R HA -0.030 4.310 4.340 0.000 0.000 0.239 42 R C 0.502 176.915 176.300 0.188 0.000 1.135 42 R CA 1.523 57.732 56.100 0.182 0.000 0.967 42 R CB 0.040 30.409 30.300 0.116 0.000 0.861 42 R HN 0.691 nan 8.270 nan 0.000 0.442 43 E N 0.203 120.538 120.200 0.226 0.000 2.266 43 E HA 0.123 4.473 4.350 0.000 0.000 0.277 43 E C 0.557 177.249 176.600 0.154 0.000 1.018 43 E CA -0.442 56.074 56.400 0.192 0.000 0.840 43 E CB 1.119 30.963 29.700 0.239 0.000 1.082 43 E HN 0.091 nan 8.360 nan 0.000 0.395 44 R N 1.005 121.550 120.500 0.074 0.000 2.120 44 R HA -0.139 4.201 4.340 0.000 0.000 0.234 44 R C 2.114 178.387 176.300 -0.046 0.000 1.123 44 R CA 1.409 57.528 56.100 0.031 0.000 0.975 44 R CB -0.479 29.829 30.300 0.013 0.000 0.866 44 R HN 0.517 nan 8.270 nan 0.000 0.446 45 T N -0.762 113.703 114.554 -0.148 0.000 2.929 45 T HA -0.128 4.222 4.350 0.000 0.000 0.271 45 T C 0.950 175.351 174.700 -0.499 0.000 1.085 45 T CA 0.933 62.812 62.100 -0.369 0.000 1.125 45 T CB -0.116 68.434 68.868 -0.530 0.000 0.874 45 T HN 0.481 nan 8.240 nan 0.000 0.494 46 W N 0.871 122.166 121.300 -0.008 0.000 3.220 46 W HA 0.367 5.027 4.660 -0.000 0.000 0.328 46 W C 1.326 177.816 176.519 -0.048 0.000 1.205 46 W CA -0.748 56.586 57.345 -0.018 0.000 1.773 46 W CB 0.372 29.829 29.460 -0.004 0.000 1.086 46 W HN 0.176 nan 8.180 nan 0.000 0.622 47 Q N 1.702 121.556 119.800 0.090 0.000 2.642 47 Q HA 0.254 4.594 4.340 0.000 0.000 0.319 47 Q C -0.567 175.397 176.000 -0.060 0.000 1.030 47 Q CA 0.148 55.933 55.803 -0.030 0.000 0.943 47 Q CB -0.449 28.255 28.738 -0.056 0.000 1.323 47 Q HN 0.254 nan 8.270 nan 0.000 0.419 48 L N -5.738 115.476 121.223 -0.014 0.000 2.940 48 L HA 0.501 4.841 4.340 0.000 0.000 0.270 48 L C -0.930 175.952 176.870 0.020 0.000 1.030 48 L CA -1.238 53.587 54.840 -0.025 0.000 0.928 48 L CB 0.991 43.026 42.059 -0.041 0.000 1.506 48 L HN -0.195 nan 8.230 nan 0.000 0.405 49 D N -0.139 120.267 120.400 0.010 0.000 2.701 49 D HA -0.160 4.480 4.640 0.000 0.000 0.235 49 D C -0.180 176.153 176.300 0.055 0.000 1.155 49 D CA 1.786 55.807 54.000 0.036 0.000 0.649 49 D CB -0.687 40.145 40.800 0.053 0.000 1.050 49 D HN 0.972 nan 8.370 nan 0.000 0.425 50 T N -1.270 113.299 114.554 0.025 0.000 2.923 50 T HA 0.545 4.895 4.350 0.000 0.000 0.311 50 T C -2.515 172.171 174.700 -0.022 0.000 1.183 50 T CA -1.362 60.744 62.100 0.011 0.000 1.020 50 T CB 1.784 70.662 68.868 0.015 0.000 1.165 50 T HN -0.256 nan 8.240 nan 0.000 0.482 51 P HA 0.502 nan 4.420 nan 0.000 0.273 51 P C -1.242 175.969 177.300 -0.147 0.000 1.250 51 P CA -0.734 62.306 63.100 -0.100 0.000 0.793 51 P CB 0.425 32.005 31.700 -0.200 0.000 1.011 52 L N 0.842 121.949 121.223 -0.194 0.000 2.543 52 L HA 0.408 4.748 4.340 0.000 0.000 0.265 52 L C -1.201 175.573 176.870 -0.161 0.000 0.945 52 L CA -0.681 54.091 54.840 -0.113 0.000 0.869 52 L CB 1.198 43.250 42.059 -0.011 0.000 1.294 52 L HN 0.289 nan 8.230 nan 0.000 0.405 53 F N 1.494 121.482 119.950 0.063 0.000 2.371 53 F HA 0.418 4.945 4.527 0.000 0.000 0.329 53 F C 0.719 176.571 175.800 0.086 0.000 1.107 53 F CA -0.064 57.967 58.000 0.052 0.000 1.137 53 F CB 1.806 40.802 39.000 -0.006 0.000 1.214 53 F HN 0.279 nan 8.300 nan 0.000 0.536 54 T N 4.189 118.879 114.554 0.226 0.000 2.833 54 T HA 0.527 4.877 4.350 0.000 0.000 0.297 54 T C -0.767 173.924 174.700 -0.016 0.000 1.015 54 T CA -0.511 61.605 62.100 0.027 0.000 0.963 54 T CB 0.562 69.441 68.868 0.019 0.000 0.955 54 T HN 0.167 nan 8.240 nan 0.000 0.449 55 L N 3.335 124.509 121.223 -0.081 0.000 2.287 55 L HA 0.588 4.928 4.340 0.000 0.000 0.287 55 L C 0.363 177.044 176.870 -0.317 0.000 1.022 55 L CA -0.454 54.273 54.840 -0.189 0.000 0.814 55 L CB 1.275 43.281 42.059 -0.089 0.000 1.217 55 L HN 0.407 nan 8.230 nan 0.000 0.420 56 R N 2.968 123.227 120.500 -0.403 0.000 2.387 56 R HA 0.603 4.943 4.340 0.000 0.000 0.314 56 R C -1.519 174.500 176.300 -0.470 0.000 0.958 56 R CA -0.488 55.429 56.100 -0.305 0.000 0.846 56 R CB 0.816 30.998 30.300 -0.196 0.000 1.147 56 R HN 0.360 nan 8.270 nan 0.000 0.447 57 F N 5.940 125.781 119.950 -0.182 0.000 2.436 57 F HA 0.503 5.030 4.527 0.000 0.000 0.340 57 F C -0.262 175.097 175.800 -0.735 0.000 1.113 57 F CA -0.609 57.104 58.000 -0.478 0.000 1.022 57 F CB 1.214 39.826 39.000 -0.647 0.000 1.128 57 F HN 0.416 nan 8.300 nan 0.000 0.466 58 F N -0.410 119.137 119.950 -0.671 0.000 2.711 58 F HA 0.741 5.268 4.527 0.000 0.000 0.313 58 F C -1.004 174.827 175.800 0.052 0.000 1.141 58 F CA -1.675 56.103 58.000 -0.371 0.000 0.941 58 F CB 1.548 40.480 39.000 -0.114 0.000 1.349 58 F HN 0.229 nan 8.300 nan 0.000 0.464 59 S N 1.881 117.789 115.700 0.347 0.000 2.774 59 S HA 0.489 4.959 4.470 0.000 0.000 0.297 59 S C -2.060 172.635 174.600 0.159 0.000 1.143 59 S CA -1.427 56.898 58.200 0.208 0.000 1.090 59 S CB 1.262 64.638 63.200 0.293 0.000 1.019 59 S HN 0.595 nan 8.310 nan 0.000 0.482 60 P HA 0.081 nan 4.420 nan 0.000 0.227 60 P C -0.404 176.828 177.300 -0.113 0.000 1.161 60 P CA 0.647 63.755 63.100 0.013 0.000 0.788 60 P CB 0.310 31.948 31.700 -0.104 0.000 0.822 61 Q N -0.818 118.854 119.800 -0.214 0.000 2.472 61 Q HA 0.179 4.519 4.340 0.000 0.000 0.281 61 Q C -0.540 175.376 176.000 -0.140 0.000 0.997 61 Q CA -0.691 55.001 55.803 -0.185 0.000 0.828 61 Q CB 1.644 30.210 28.738 -0.286 0.000 1.443 61 Q HN 0.006 nan 8.270 nan 0.000 0.390 62 E N 0.269 120.412 120.200 -0.094 0.000 2.529 62 E HA 0.070 4.420 4.350 0.000 0.000 0.259 62 E C 0.596 177.148 176.600 -0.079 0.000 0.966 62 E CA 1.677 58.034 56.400 -0.072 0.000 0.937 62 E CB 0.250 29.914 29.700 -0.059 0.000 0.923 62 E HN 0.815 nan 8.360 nan 0.000 0.468 63 G N 4.385 113.150 108.800 -0.059 0.000 2.153 63 G HA2 -0.258 3.702 3.960 0.000 0.000 0.252 63 G HA3 -0.258 3.702 3.960 0.000 0.000 0.252 63 G C 0.293 175.166 174.900 -0.045 0.000 0.994 63 G CA 0.477 45.552 45.100 -0.041 0.000 0.698 63 G HN 0.522 nan 8.290 nan 0.000 0.521 64 I N 0.482 121.001 120.570 -0.084 0.000 2.389 64 I HA 0.446 4.616 4.170 0.000 0.000 0.288 64 I C -0.054 176.050 176.117 -0.021 0.000 0.999 64 I CA -1.103 60.132 61.300 -0.108 0.000 1.129 64 I CB 2.126 39.907 38.000 -0.365 0.000 1.288 64 I HN -0.146 nan 8.210 nan 0.000 0.444 65 V N 5.374 125.318 119.914 0.049 0.000 2.347 65 V HA 0.465 4.585 4.120 0.000 0.000 0.280 65 V C 0.693 176.728 176.094 -0.097 0.000 1.021 65 V CA -0.518 61.836 62.300 0.090 0.000 0.847 65 V CB 1.418 33.404 31.823 0.270 0.000 0.990 65 V HN 0.889 nan 8.190 nan 0.000 0.444 66 G N 3.697 112.220 108.800 -0.462 0.000 2.395 66 G HA2 0.543 4.503 3.960 0.000 0.000 0.283 66 G HA3 0.543 4.503 3.960 0.000 0.000 0.283 66 G C -0.846 173.536 174.900 -0.863 0.000 1.178 66 G CA -0.263 44.183 45.100 -1.090 0.000 0.837 66 G HN 0.565 nan 8.290 nan 0.000 0.518 67 V N 2.620 122.037 119.914 -0.830 0.000 2.525 67 V HA 0.498 4.618 4.120 0.000 0.000 0.299 67 V C 0.005 175.778 176.094 -0.536 0.000 1.034 67 V CA -0.875 60.984 62.300 -0.735 0.000 0.863 67 V CB 1.603 32.908 31.823 -0.863 0.000 0.999 67 V HN 0.842 nan 8.190 nan 0.000 0.423 68 R N 5.228 125.545 120.500 -0.305 0.000 2.337 68 R HA 0.688 5.028 4.340 0.000 0.000 0.319 68 R C -1.471 174.785 176.300 -0.073 0.000 0.954 68 R CA -0.539 55.521 56.100 -0.067 0.000 0.840 68 R CB 1.103 31.404 30.300 0.002 0.000 1.164 68 R HN 0.719 nan 8.270 nan 0.000 0.472 69 I N 4.429 125.037 120.570 0.064 0.000 2.339 69 I HA 0.272 4.442 4.170 0.000 0.000 0.290 69 I C -0.126 176.131 176.117 0.234 0.000 0.994 69 I CA -0.314 61.046 61.300 0.101 0.000 1.191 69 I CB 1.594 39.644 38.000 0.082 0.000 1.343 69 I HN 0.616 nan 8.210 nan 0.000 0.458 70 E N 6.565 126.912 120.200 0.246 0.000 2.314 70 E HA 0.335 4.685 4.350 0.000 0.000 0.272 70 E C -0.956 175.787 176.600 0.239 0.000 0.884 70 E CA -0.607 55.955 56.400 0.271 0.000 0.753 70 E CB 2.262 32.083 29.700 0.203 0.000 1.213 70 E HN 0.711 nan 8.360 nan 0.000 0.432 71 H N 3.333 122.410 119.070 0.012 0.000 2.875 71 H HA 0.211 4.767 4.556 -0.000 0.000 0.305 71 H C -0.318 174.981 175.328 -0.049 0.000 1.379 71 H CA -0.145 55.721 56.048 -0.304 0.000 2.034 71 H CB 0.223 29.489 29.762 -0.828 0.000 1.566 71 H HN 0.388 nan 8.280 nan 0.000 0.607 72 F N 1.809 121.519 119.950 -0.400 0.000 2.412 72 F HA 0.172 4.699 4.527 -0.000 0.000 0.348 72 F C 1.349 177.096 175.800 -0.089 0.000 1.102 72 F CA -0.217 57.595 58.000 -0.313 0.000 1.196 72 F CB 1.307 40.144 39.000 -0.272 0.000 1.144 72 F HN 0.435 nan 8.300 nan 0.000 0.541 73 Q N 1.524 121.385 119.800 0.102 0.000 2.356 73 Q HA 0.122 4.462 4.340 0.000 0.000 0.205 73 Q C 1.919 177.935 176.000 0.027 0.000 0.901 73 Q CA 0.376 56.206 55.803 0.046 0.000 0.938 73 Q CB 0.371 29.108 28.738 -0.002 0.000 1.081 73 Q HN 0.999 nan 8.270 nan 0.000 0.517 74 G N 0.695 109.502 108.800 0.012 0.000 2.744 74 G HA2 0.168 4.128 3.960 0.000 0.000 0.211 74 G HA3 0.168 4.128 3.960 0.000 0.000 0.211 74 G C 0.547 175.464 174.900 0.029 0.000 1.143 74 G CA 0.344 45.432 45.100 -0.021 0.000 0.788 74 G HN 0.337 nan 8.290 nan 0.000 0.534 75 A N -0.210 122.665 122.820 0.092 0.000 2.386 75 A HA 0.514 4.834 4.320 0.000 0.000 0.246 75 A C 1.559 179.198 177.584 0.091 0.000 1.089 75 A CA -0.428 51.677 52.037 0.113 0.000 0.790 75 A CB 0.424 19.529 19.000 0.174 0.000 1.042 75 A HN 0.167 nan 8.150 nan 0.000 0.497 76 L N 0.894 122.170 121.223 0.089 0.000 1.955 76 L HA -0.178 4.162 4.340 0.000 0.000 0.213 76 L C 0.984 177.910 176.870 0.093 0.000 1.072 76 L CA 1.534 56.421 54.840 0.077 0.000 0.755 76 L CB -0.436 41.665 42.059 0.071 0.000 0.888 76 L HN 0.931 nan 8.230 nan 0.000 0.432 77 N N 1.525 120.304 118.700 0.132 0.000 2.568 77 N HA -0.157 4.583 4.740 0.000 0.000 0.277 77 N C -0.927 174.668 175.510 0.142 0.000 1.200 77 N CA 0.245 53.396 53.050 0.169 0.000 0.702 77 N CB -0.594 37.994 38.487 0.169 0.000 0.889 77 N HN 0.335 nan 8.380 nan 0.000 0.546 78 N N 0.092 118.850 118.700 0.096 0.000 2.495 78 N HA 0.458 5.198 4.740 0.000 0.000 0.280 78 N C 1.046 176.505 175.510 -0.086 0.000 1.168 78 N CA 0.203 53.279 53.050 0.043 0.000 0.978 78 N CB 0.774 39.283 38.487 0.036 0.000 1.191 78 N HN 0.452 nan 8.380 nan 0.000 0.497 79 G N 0.333 109.009 108.800 -0.206 0.000 2.570 79 G HA2 0.267 4.227 3.960 0.000 0.000 0.276 79 G HA3 0.267 4.227 3.960 0.000 0.000 0.276 79 G C -2.339 172.358 174.900 -0.337 0.000 1.346 79 G CA -0.555 44.203 45.100 -0.570 0.000 1.034 79 G HN 0.343 nan 8.290 nan 0.000 0.512 80 P HA 0.271 nan 4.420 nan 0.000 0.276 80 P C -1.081 175.746 177.300 -0.788 0.000 1.252 80 P CA -0.163 62.622 63.100 -0.525 0.000 0.802 80 P CB 1.064 32.488 31.700 -0.460 0.000 1.035 81 H N -1.542 117.332 119.070 -0.326 0.000 2.670 81 H HA 0.399 4.955 4.556 -0.000 0.000 0.361 81 H C -0.158 174.967 175.328 -0.339 0.000 1.169 81 H CA -0.499 55.370 56.048 -0.298 0.000 1.198 81 H CB 0.295 29.976 29.762 -0.136 0.000 1.700 81 H HN 0.274 nan 8.280 nan 0.000 0.542 82 Y N 1.787 122.011 120.300 -0.128 0.000 2.550 82 Y HA 0.038 4.588 4.550 0.000 0.000 0.343 82 Y C -1.560 174.192 175.900 -0.246 0.000 1.245 82 Y CA -2.289 55.679 58.100 -0.220 0.000 1.462 82 Y CB 0.103 38.471 38.460 -0.153 0.000 1.340 82 Y HN 0.506 nan 8.280 nan 0.000 0.604 83 P HA 0.089 nan 4.420 nan 0.000 0.220 83 P C -0.872 176.268 177.300 -0.267 0.000 1.806 83 P CA -0.063 62.909 63.100 -0.214 0.000 0.976 83 P CB -0.308 31.189 31.700 -0.338 0.000 1.952 84 L N 1.949 123.013 121.223 -0.264 0.000 2.380 84 L HA 0.201 4.541 4.340 0.000 0.000 0.273 84 L C 0.933 177.676 176.870 -0.212 0.000 1.138 84 L CA 0.387 54.965 54.840 -0.437 0.000 0.832 84 L CB -0.191 41.608 42.059 -0.433 0.000 1.124 84 L HN 0.080 nan 8.230 nan 0.000 0.454 85 N N 4.725 123.322 118.700 -0.171 0.000 2.469 85 N HA 0.324 5.064 4.740 0.000 0.000 0.239 85 N C -0.620 174.968 175.510 0.130 0.000 1.053 85 N CA -0.020 53.025 53.050 -0.008 0.000 0.937 85 N CB 0.832 39.305 38.487 -0.024 0.000 1.163 85 N HN 0.426 nan 8.380 nan 0.000 0.509 86 I N 3.182 123.813 120.570 0.103 0.000 2.355 86 I HA 0.286 4.456 4.170 0.000 0.000 0.288 86 I C 0.185 176.353 176.117 0.086 0.000 0.999 86 I CA -0.605 60.781 61.300 0.144 0.000 1.163 86 I CB 1.321 39.420 38.000 0.164 0.000 1.316 86 I HN 0.132 nan 8.210 nan 0.000 0.454 87 L N 6.029 127.296 121.223 0.073 0.000 2.375 87 L HA 0.288 4.628 4.340 0.000 0.000 0.271 87 L C 1.038 177.952 176.870 0.074 0.000 1.107 87 L CA -0.606 54.265 54.840 0.053 0.000 0.806 87 L CB 1.018 43.094 42.059 0.028 0.000 1.146 87 L HN 0.612 nan 8.230 nan 0.000 0.447 88 Q N 1.219 121.054 119.800 0.057 0.000 2.402 88 Q HA 0.001 4.341 4.340 0.000 0.000 0.206 88 Q C -0.047 175.991 176.000 0.064 0.000 0.919 88 Q CA 0.467 56.307 55.803 0.062 0.000 0.923 88 Q CB 0.147 28.910 28.738 0.041 0.000 1.048 88 Q HN 0.777 nan 8.270 nan 0.000 0.515 89 D N -0.742 119.688 120.400 0.050 0.000 2.696 89 D HA 0.163 4.803 4.640 0.000 0.000 0.269 89 D C -0.052 176.268 176.300 0.034 0.000 1.319 89 D CA -0.464 53.560 54.000 0.041 0.000 0.826 89 D CB 0.036 40.851 40.800 0.025 0.000 1.086 89 D HN -0.255 nan 8.370 nan 0.000 0.481 90 V N 0.825 120.767 119.914 0.047 0.000 2.763 90 V HA -0.041 4.079 4.120 0.000 0.000 0.306 90 V C 1.010 177.113 176.094 0.016 0.000 1.059 90 V CA -0.239 62.077 62.300 0.027 0.000 1.138 90 V CB 0.811 32.657 31.823 0.038 0.000 0.940 90 V HN 0.224 nan 8.190 nan 0.000 0.489 91 K N 4.137 124.528 120.400 -0.015 0.000 2.378 91 K HA 0.385 4.705 4.320 0.000 0.000 0.288 91 K C -0.561 175.989 176.600 -0.083 0.000 1.057 91 K CA -0.167 56.097 56.287 -0.038 0.000 0.971 91 K CB 0.546 33.021 32.500 -0.042 0.000 0.975 91 K HN 0.663 nan 8.250 nan 0.000 0.475 92 V N 0.437 120.285 119.914 -0.109 0.000 3.040 92 V HA 0.585 4.705 4.120 0.000 0.000 0.312 92 V C -0.556 175.397 176.094 -0.235 0.000 1.115 92 V CA -0.784 61.362 62.300 -0.256 0.000 0.998 92 V CB 2.025 33.616 31.823 -0.388 0.000 1.042 92 V HN 0.581 nan 8.190 nan 0.000 0.433 93 T N 3.566 117.920 114.554 -0.333 0.000 2.829 93 T HA 0.724 5.074 4.350 0.000 0.000 0.280 93 T C -0.579 173.975 174.700 -0.244 0.000 0.999 93 T CA -0.158 61.808 62.100 -0.222 0.000 0.983 93 T CB 1.033 69.793 68.868 -0.180 0.000 0.968 93 T HN 0.663 nan 8.240 nan 0.000 0.446 94 I N 3.136 123.646 120.570 -0.101 0.000 2.418 94 I HA 0.376 4.546 4.170 0.000 0.000 0.287 94 I C -0.060 176.046 176.117 -0.017 0.000 1.008 94 I CA -0.641 60.648 61.300 -0.019 0.000 1.104 94 I CB 1.791 39.843 38.000 0.086 0.000 1.264 94 I HN 0.506 nan 8.210 nan 0.000 0.438 95 E N 4.866 125.052 120.200 -0.024 0.000 2.176 95 E HA 0.310 4.660 4.350 0.000 0.000 0.267 95 E C -0.884 175.720 176.600 0.007 0.000 0.893 95 E CA -0.732 55.660 56.400 -0.013 0.000 0.761 95 E CB 2.005 31.690 29.700 -0.026 0.000 1.133 95 E HN 0.309 nan 8.360 nan 0.000 0.409 96 N N 2.597 121.307 118.700 0.017 0.000 2.682 96 N HA 0.127 4.867 4.740 0.000 0.000 0.252 96 N C -1.244 174.277 175.510 0.017 0.000 1.081 96 N CA -0.237 52.826 53.050 0.022 0.000 0.844 96 N CB 0.922 39.425 38.487 0.027 0.000 1.167 96 N HN 0.522 nan 8.380 nan 0.000 0.523 97 T N -0.778 113.791 114.554 0.024 0.000 2.922 97 T HA 0.349 4.699 4.350 0.000 0.000 0.281 97 T C 1.170 175.850 174.700 -0.034 0.000 1.005 97 T CA -0.434 61.668 62.100 0.004 0.000 0.982 97 T CB 1.431 70.314 68.868 0.024 0.000 1.158 97 T HN 0.244 nan 8.240 nan 0.000 0.566 98 E N 0.167 120.332 120.200 -0.057 0.000 2.097 98 E HA -0.162 4.188 4.350 0.000 0.000 0.196 98 E C 2.160 178.673 176.600 -0.144 0.000 1.000 98 E CA 1.635 57.985 56.400 -0.082 0.000 0.804 98 E CB -0.035 29.619 29.700 -0.077 0.000 0.740 98 E HN 0.634 nan 8.360 nan 0.000 0.454 99 R N -1.907 118.439 120.500 -0.256 0.000 2.223 99 R HA 0.167 4.507 4.340 0.000 0.000 0.198 99 R C -0.107 175.827 176.300 -0.610 0.000 0.984 99 R CA 0.369 56.150 56.100 -0.532 0.000 1.018 99 R CB 0.489 30.264 30.300 -0.876 0.000 0.945 99 R HN 0.157 nan 8.270 nan 0.000 0.479 100 Y N -1.337 118.926 120.300 -0.062 0.000 2.581 100 Y HA 0.525 5.075 4.550 -0.000 0.000 0.337 100 Y C -0.974 174.867 175.900 -0.098 0.000 1.108 100 Y CA -1.492 56.547 58.100 -0.102 0.000 1.033 100 Y CB 1.866 40.259 38.460 -0.112 0.000 1.318 100 Y HN -0.174 nan 8.280 nan 0.000 0.459 101 A N 1.731 124.582 122.820 0.051 0.000 2.318 101 A HA 0.709 5.029 4.320 0.000 0.000 0.317 101 A C -1.231 176.275 177.584 -0.129 0.000 1.159 101 A CA -0.569 51.452 52.037 -0.027 0.000 0.799 101 A CB 1.452 20.431 19.000 -0.034 0.000 1.194 101 A HN 0.736 nan 8.150 nan 0.000 0.479 102 E N 1.780 121.914 120.200 -0.109 0.000 2.256 102 E HA 0.558 4.908 4.350 0.000 0.000 0.268 102 E C -2.050 174.498 176.600 -0.086 0.000 0.877 102 E CA -0.463 55.837 56.400 -0.166 0.000 0.757 102 E CB 1.504 31.100 29.700 -0.173 0.000 1.183 102 E HN 0.572 nan 8.360 nan 0.000 0.418 103 F N 4.339 124.131 119.950 -0.263 0.000 2.493 103 F HA 0.509 5.036 4.527 0.000 0.000 0.329 103 F C -1.146 174.587 175.800 -0.111 0.000 1.126 103 F CA -0.574 57.331 58.000 -0.158 0.000 0.937 103 F CB 1.095 40.007 39.000 -0.147 0.000 1.146 103 F HN 0.267 nan 8.300 nan 0.000 0.442 104 K N 4.322 124.295 120.400 -0.711 0.000 2.427 104 K HA 0.567 4.887 4.320 0.000 0.000 0.252 104 K C -1.643 174.638 176.600 -0.532 0.000 0.931 104 K CA -0.681 55.341 56.287 -0.442 0.000 0.793 104 K CB 1.937 34.281 32.500 -0.261 0.000 1.211 104 K HN 0.594 nan 8.250 nan 0.000 0.426 105 S N 2.824 118.360 115.700 -0.274 0.000 2.707 105 S HA 0.596 5.066 4.470 0.000 0.000 0.303 105 S C 0.215 174.757 174.600 -0.097 0.000 1.132 105 S CA 0.487 58.584 58.200 -0.172 0.000 1.046 105 S CB 0.759 63.922 63.200 -0.060 0.000 1.004 105 S HN 1.058 nan 8.310 nan 0.000 0.483 106 G N 5.314 114.058 108.800 -0.093 0.000 2.611 106 G HA2 -0.352 3.608 3.960 0.000 0.000 0.301 106 G HA3 -0.352 3.608 3.960 0.000 0.000 0.301 106 G C 0.537 175.398 174.900 -0.065 0.000 1.233 106 G CA 0.767 45.826 45.100 -0.068 0.000 0.993 106 G HN 0.769 nan 8.290 nan 0.000 0.553 107 N N -0.114 118.559 118.700 -0.045 0.000 2.398 107 N HA 0.280 5.020 4.740 0.000 0.000 0.188 107 N C 0.330 175.821 175.510 -0.033 0.000 1.122 107 N CA -0.152 52.875 53.050 -0.039 0.000 0.866 107 N CB 0.261 38.733 38.487 -0.025 0.000 0.970 107 N HN 0.359 nan 8.380 nan 0.000 0.462 108 L N 1.206 122.414 121.223 -0.025 0.000 2.282 108 L HA 0.386 4.726 4.340 0.000 0.000 0.288 108 L C -0.241 176.634 176.870 0.008 0.000 1.033 108 L CA -0.506 54.339 54.840 0.009 0.000 0.807 108 L CB 1.150 43.232 42.059 0.037 0.000 1.209 108 L HN -0.090 nan 8.230 nan 0.000 0.423 109 S N 3.649 119.359 115.700 0.016 0.000 2.599 109 S HA 0.964 5.434 4.470 0.000 0.000 0.294 109 S C -0.657 173.964 174.600 0.036 0.000 1.094 109 S CA -0.479 57.722 58.200 0.001 0.000 0.931 109 S CB 1.751 64.889 63.200 -0.104 0.000 1.093 109 S HN 1.002 nan 8.310 nan 0.000 0.488 110 A N 1.633 124.440 122.820 -0.022 0.000 2.287 110 A HA 0.777 5.097 4.320 0.000 0.000 0.317 110 A C -0.168 177.125 177.584 -0.485 0.000 1.220 110 A CA -0.795 51.046 52.037 -0.327 0.000 0.835 110 A CB 0.759 19.610 19.000 -0.248 0.000 1.180 110 A HN 0.856 nan 8.150 nan 0.000 0.500 111 R N 2.467 122.653 120.500 -0.524 0.000 2.494 111 R HA 0.625 4.965 4.340 0.000 0.000 0.305 111 R C -1.764 174.245 176.300 -0.484 0.000 0.959 111 R CA -0.361 55.460 56.100 -0.465 0.000 0.864 111 R CB 1.661 31.684 30.300 -0.460 0.000 1.159 111 R HN 0.471 nan 8.270 nan 0.000 0.446 112 V N 3.315 122.976 119.914 -0.422 0.000 2.384 112 V HA 0.274 4.394 4.120 0.000 0.000 0.287 112 V C -0.171 175.768 176.094 -0.258 0.000 1.020 112 V CA -0.650 61.364 62.300 -0.477 0.000 0.850 112 V CB 1.770 33.314 31.823 -0.464 0.000 0.987 112 V HN 0.818 nan 8.190 nan 0.000 0.436 113 S N 4.989 120.533 115.700 -0.262 0.000 2.528 113 S HA 0.342 4.812 4.470 0.000 0.000 0.277 113 S C 0.140 174.698 174.600 -0.069 0.000 1.297 113 S CA -0.535 57.652 58.200 -0.021 0.000 1.052 113 S CB 0.518 63.738 63.200 0.033 0.000 0.917 113 S HN 0.633 nan 8.310 nan 0.000 0.492 114 K N 1.459 121.833 120.400 -0.043 0.000 2.098 114 K HA 0.639 4.959 4.320 0.000 0.000 0.244 114 K C 1.021 177.626 176.600 0.007 0.000 1.014 114 K CA -0.180 56.105 56.287 -0.002 0.000 0.917 114 K CB 0.476 32.957 32.500 -0.033 0.000 1.072 114 K HN 0.829 nan 8.250 nan 0.000 0.477 115 G N 0.837 109.652 108.800 0.025 0.000 2.553 115 G HA2 -0.336 3.624 3.960 0.000 0.000 0.242 115 G HA3 -0.336 3.624 3.960 0.000 0.000 0.242 115 G C 0.689 175.559 174.900 -0.051 0.000 1.277 115 G CA 0.415 45.503 45.100 -0.020 0.000 0.910 115 G HN 0.762 nan 8.290 nan 0.000 0.576 116 E N -0.696 119.365 120.200 -0.232 0.000 2.153 116 E HA -0.003 4.347 4.350 0.000 0.000 0.194 116 E C 0.394 176.719 176.600 -0.458 0.000 0.988 116 E CA 0.937 57.059 56.400 -0.462 0.000 0.811 116 E CB -0.077 29.105 29.700 -0.865 0.000 0.746 116 E HN 0.308 nan 8.360 nan 0.000 0.466 117 F N 0.962 120.963 119.950 0.086 0.000 2.307 117 F HA 0.197 4.724 4.527 0.000 0.000 0.369 117 F C -0.065 175.819 175.800 0.140 0.000 1.076 117 F CA -1.036 57.024 58.000 0.101 0.000 1.149 117 F CB 0.202 39.234 39.000 0.053 0.000 1.410 117 F HN 0.061 nan 8.300 nan 0.000 0.481 118 W N 3.526 124.905 121.300 0.132 0.000 2.210 118 W HA 0.427 5.087 4.660 0.000 0.000 0.330 118 W C -0.784 175.787 176.519 0.086 0.000 1.334 118 W CA 0.231 57.630 57.345 0.090 0.000 1.227 118 W CB 1.373 30.867 29.460 0.056 0.000 1.178 118 W HN 0.439 nan 8.180 nan 0.000 0.560 119 S N 6.671 122.057 115.700 -0.522 0.000 2.533 119 S HA 0.519 4.989 4.470 0.000 0.000 0.271 119 S C -1.686 172.523 174.600 -0.651 0.000 1.143 119 S CA -0.851 57.125 58.200 -0.374 0.000 0.891 119 S CB 1.189 64.306 63.200 -0.137 0.000 1.105 119 S HN 0.541 nan 8.310 nan 0.000 0.468 120 L N 4.088 125.075 121.223 -0.393 0.000 2.318 120 L HA 0.587 4.927 4.340 0.000 0.000 0.277 120 L C -1.468 175.165 176.870 -0.394 0.000 1.008 120 L CA -0.415 54.185 54.840 -0.399 0.000 0.846 120 L CB 0.903 42.867 42.059 -0.158 0.000 1.220 120 L HN 0.673 nan 8.230 nan 0.000 0.423 121 D N 5.114 125.215 120.400 -0.499 0.000 2.278 121 D HA 0.345 4.985 4.640 0.000 0.000 0.245 121 D C -0.853 175.090 176.300 -0.594 0.000 1.052 121 D CA -0.053 53.700 54.000 -0.411 0.000 0.834 121 D CB 1.982 42.612 40.800 -0.284 0.000 1.194 121 D HN 0.163 nan 8.370 nan 0.000 0.481 122 F N 1.456 121.352 119.950 -0.090 0.000 2.408 122 F HA 0.354 4.880 4.527 -0.000 0.000 0.344 122 F C 0.002 175.726 175.800 -0.127 0.000 1.112 122 F CA -0.742 57.199 58.000 -0.099 0.000 1.096 122 F CB 0.904 39.847 39.000 -0.094 0.000 1.129 122 F HN -0.000 nan 8.300 nan 0.000 0.486 123 L N 3.529 124.764 121.223 0.021 0.000 2.386 123 L HA 0.515 4.855 4.340 0.000 0.000 0.271 123 L C -0.441 176.418 176.870 -0.019 0.000 0.993 123 L CA -1.075 53.740 54.840 -0.042 0.000 0.819 123 L CB 2.018 44.010 42.059 -0.111 0.000 1.294 123 L HN 0.566 nan 8.230 nan 0.000 0.414 124 R N 2.442 122.929 120.500 -0.021 0.000 2.360 124 R HA 0.403 4.743 4.340 0.000 0.000 0.318 124 R C -0.173 176.111 176.300 -0.026 0.000 0.950 124 R CA -0.280 55.812 56.100 -0.013 0.000 0.837 124 R CB 0.218 30.523 30.300 0.008 0.000 1.165 124 R HN 0.757 nan 8.270 nan 0.000 0.458 125 N N 3.293 121.972 118.700 -0.035 0.000 2.714 125 N HA -0.255 4.485 4.740 0.000 0.000 0.252 125 N C 0.538 176.017 175.510 -0.051 0.000 1.014 125 N CA 0.756 53.781 53.050 -0.042 0.000 0.735 125 N CB -0.638 37.831 38.487 -0.030 0.000 0.924 125 N HN 1.078 nan 8.380 nan 0.000 0.540 126 G N -0.984 107.774 108.800 -0.070 0.000 2.184 126 G HA2 -0.371 3.589 3.960 0.000 0.000 0.264 126 G HA3 -0.371 3.589 3.960 0.000 0.000 0.264 126 G C -0.106 174.748 174.900 -0.078 0.000 0.975 126 G CA 0.670 45.717 45.100 -0.088 0.000 0.642 126 G HN 0.581 nan 8.290 nan 0.000 0.536 127 E N 0.032 120.200 120.200 -0.054 0.000 2.175 127 E HA 0.472 4.822 4.350 0.000 0.000 0.278 127 E C 0.560 177.135 176.600 -0.041 0.000 0.969 127 E CA -0.902 55.473 56.400 -0.042 0.000 0.796 127 E CB 0.694 30.382 29.700 -0.020 0.000 1.104 127 E HN 0.287 nan 8.360 nan 0.000 0.395 128 R N 4.200 124.673 120.500 -0.045 0.000 2.404 128 R HA 0.050 4.390 4.340 0.000 0.000 0.315 128 R C 1.048 177.339 176.300 -0.015 0.000 1.032 128 R CA 0.186 56.261 56.100 -0.042 0.000 0.992 128 R CB 0.104 30.376 30.300 -0.047 0.000 0.959 128 R HN 0.650 nan 8.270 nan 0.000 0.428 129 I N -0.122 120.430 120.570 -0.028 0.000 3.462 129 I HA 0.237 4.407 4.170 0.000 0.000 0.290 129 I C 0.608 176.661 176.117 -0.107 0.000 1.236 129 I CA 0.005 61.278 61.300 -0.045 0.000 1.418 129 I CB 0.645 38.590 38.000 -0.091 0.000 1.102 129 I HN 0.523 nan 8.210 nan 0.000 0.441 130 T N -1.018 113.485 114.554 -0.086 0.000 2.661 130 T HA 0.664 5.014 4.350 0.000 0.000 0.303 130 T C -0.994 173.789 174.700 0.139 0.000 1.658 130 T CA 0.025 62.126 62.100 0.002 0.000 0.974 130 T CB 1.058 69.853 68.868 -0.123 0.000 1.857 130 T HN 0.681 nan 8.240 nan 0.000 0.475 131 G N 0.395 109.331 108.800 0.226 0.000 2.320 131 G HA2 0.459 4.419 3.960 0.000 0.000 0.297 131 G HA3 0.459 4.419 3.960 0.000 0.000 0.297 131 G C -1.421 173.596 174.900 0.195 0.000 1.344 131 G CA 0.320 45.565 45.100 0.242 0.000 0.851 131 G HN 0.986 nan 8.290 nan 0.000 0.567 132 S N -0.489 115.302 115.700 0.152 0.000 2.456 132 S HA 0.581 5.051 4.470 0.000 0.000 0.316 132 S C 0.072 174.736 174.600 0.106 0.000 1.089 132 S CA -0.377 57.900 58.200 0.127 0.000 1.101 132 S CB 0.958 64.262 63.200 0.172 0.000 0.995 132 S HN 0.552 nan 8.310 nan 0.000 0.468 133 Q N 1.896 121.744 119.800 0.080 0.000 2.317 133 Q HA 0.339 4.679 4.340 0.000 0.000 0.229 133 Q C -0.039 176.042 176.000 0.134 0.000 0.984 133 Q CA -0.561 55.297 55.803 0.091 0.000 0.911 133 Q CB 1.118 29.881 28.738 0.042 0.000 1.217 133 Q HN 0.597 nan 8.270 nan 0.000 0.501 134 V N 2.737 122.769 119.914 0.196 0.000 2.752 134 V HA -0.180 3.940 4.120 0.000 0.000 0.306 134 V C 0.281 176.323 176.094 -0.087 0.000 1.099 134 V CA 1.260 63.652 62.300 0.154 0.000 1.240 134 V CB -0.353 31.584 31.823 0.190 0.000 0.887 134 V HN 0.854 nan 8.190 nan 0.000 0.499 135 K N 2.976 123.206 120.400 -0.282 0.000 3.547 135 K HA -0.181 4.139 4.320 0.000 0.000 0.309 135 K C 0.578 176.946 176.600 -0.387 0.000 1.324 135 K CA 1.208 57.072 56.287 -0.705 0.000 0.988 135 K CB -1.258 30.835 32.500 -0.678 0.000 1.261 135 K HN 0.795 nan 8.250 nan 0.000 0.444 136 N N 1.275 119.886 118.700 -0.149 0.000 2.270 136 N HA 0.011 4.751 4.740 0.000 0.000 0.198 136 N C -0.270 175.076 175.510 -0.274 0.000 1.117 136 N CA 0.372 53.409 53.050 -0.021 0.000 0.845 136 N CB 0.194 38.682 38.487 0.001 0.000 0.980 136 N HN 0.486 nan 8.380 nan 0.000 0.486 137 N N -0.901 117.502 118.700 -0.495 0.000 2.571 137 N HA 0.747 5.487 4.740 0.000 0.000 0.273 137 N C 0.276 175.223 175.510 -0.939 0.000 1.340 137 N CA -0.529 51.908 53.050 -1.022 0.000 0.789 137 N CB 1.524 39.702 38.487 -0.514 0.000 1.514 137 N HN -0.022 nan 8.380 nan 0.000 0.499 138 G N -1.625 106.582 108.800 -0.989 0.000 2.291 138 G HA2 0.151 4.111 3.960 0.000 0.000 0.249 138 G HA3 0.151 4.111 3.960 0.000 0.000 0.249 138 G C -2.342 172.606 174.900 0.080 0.000 1.340 138 G CA -0.794 44.030 45.100 -0.460 0.000 1.017 138 G HN 0.733 nan 8.290 nan 0.000 0.470 139 Y N 0.092 120.482 120.300 0.150 0.000 2.393 139 Y HA 0.675 5.225 4.550 -0.000 0.000 0.341 139 Y C -0.268 175.687 175.900 0.092 0.000 0.988 139 Y CA -0.931 57.247 58.100 0.130 0.000 1.078 139 Y CB 2.267 40.715 38.460 -0.021 0.000 1.203 139 Y HN 0.505 nan 8.280 nan 0.000 0.453 140 V N 6.604 126.377 119.914 -0.236 0.000 2.378 140 V HA 0.276 4.396 4.120 0.000 0.000 0.288 140 V C -0.583 175.237 176.094 -0.457 0.000 1.016 140 V CA -0.840 61.321 62.300 -0.231 0.000 0.840 140 V CB 1.327 33.098 31.823 -0.086 0.000 0.994 140 V HN 0.758 nan 8.190 nan 0.000 0.431 141 Q N 3.646 123.238 119.800 -0.348 0.000 2.390 141 Q HA 0.227 4.567 4.340 0.000 0.000 0.249 141 Q C -0.784 175.151 176.000 -0.108 0.000 0.996 141 Q CA -0.496 55.154 55.803 -0.256 0.000 0.899 141 Q CB 0.986 29.636 28.738 -0.145 0.000 1.216 141 Q HN 0.767 nan 8.270 nan 0.000 0.465 142 D N 3.602 123.972 120.400 -0.051 0.000 2.428 142 D HA 0.040 4.680 4.640 0.000 0.000 0.221 142 D C 0.844 177.139 176.300 -0.009 0.000 1.123 142 D CA -0.194 53.807 54.000 0.001 0.000 0.869 142 D CB 1.307 42.178 40.800 0.118 0.000 1.032 142 D HN 0.693 nan 8.370 nan 0.000 0.506 143 T N 0.876 115.419 114.554 -0.018 0.000 3.085 143 T HA -0.054 4.296 4.350 0.000 0.000 0.263 143 T C 1.253 175.949 174.700 -0.006 0.000 1.127 143 T CA 0.267 62.360 62.100 -0.011 0.000 1.103 143 T CB 0.068 68.930 68.868 -0.010 0.000 0.921 143 T HN 0.214 nan 8.240 nan 0.000 0.510 144 N N 3.203 121.899 118.700 -0.008 0.000 2.135 144 N HA -0.075 4.665 4.740 0.000 0.000 0.186 144 N C 1.519 177.029 175.510 0.000 0.000 1.027 144 N CA 1.625 54.671 53.050 -0.007 0.000 0.849 144 N CB -0.348 38.131 38.487 -0.014 0.000 1.002 144 N HN 0.722 nan 8.380 nan 0.000 0.425 145 N N 0.241 118.946 118.700 0.009 0.000 2.205 145 N HA 0.009 4.749 4.740 0.000 0.000 0.201 145 N C -0.283 175.229 175.510 0.004 0.000 1.128 145 N CA 0.038 53.095 53.050 0.012 0.000 0.867 145 N CB -0.041 38.463 38.487 0.029 0.000 0.996 145 N HN 0.053 nan 8.380 nan 0.000 0.503 146 Q N -0.475 119.324 119.800 -0.002 0.000 2.481 146 Q HA -0.222 4.118 4.340 0.000 0.000 0.272 146 Q C -0.892 175.081 176.000 -0.045 0.000 1.157 146 Q CA 0.764 56.558 55.803 -0.014 0.000 0.935 146 Q CB -1.210 27.526 28.738 -0.004 0.000 1.338 146 Q HN 0.560 nan 8.270 nan 0.000 0.494 147 R N 0.497 120.955 120.500 -0.070 0.000 2.668 147 R HA 0.528 4.868 4.340 0.000 0.000 0.279 147 R C -0.216 175.881 176.300 -0.340 0.000 0.976 147 R CA -0.889 55.082 56.100 -0.215 0.000 0.978 147 R CB 0.956 31.101 30.300 -0.259 0.000 1.133 147 R HN 0.042 nan 8.270 nan 0.000 0.484 148 N N 1.522 119.908 118.700 -0.523 0.000 2.321 148 N HA 0.344 5.084 4.740 0.000 0.000 0.299 148 N C -1.314 173.730 175.510 -0.777 0.000 1.048 148 N CA -0.416 52.292 53.050 -0.571 0.000 0.836 148 N CB 1.793 40.047 38.487 -0.388 0.000 1.269 148 N HN 0.405 nan 8.380 nan 0.000 0.486 149 Y N 0.217 120.313 120.300 -0.339 0.000 2.570 149 Y HA 0.527 5.077 4.550 0.000 0.000 0.345 149 Y C 0.257 176.100 175.900 -0.094 0.000 1.014 149 Y CA -1.030 56.961 58.100 -0.182 0.000 1.063 149 Y CB 1.699 40.068 38.460 -0.152 0.000 1.272 149 Y HN 0.148 nan 8.280 nan 0.000 0.477 150 M N 3.197 122.902 119.600 0.174 0.000 2.456 150 M HA 0.472 4.952 4.480 0.000 0.000 0.324 150 M C -1.106 175.324 176.300 0.217 0.000 1.124 150 M CA -0.772 54.655 55.300 0.211 0.000 0.959 150 M CB 1.561 34.255 32.600 0.157 0.000 1.692 150 M HN 0.728 nan 8.290 nan 0.000 0.444 151 F N 0.220 120.160 119.950 -0.017 0.000 2.626 151 F HA 0.874 5.401 4.527 -0.000 0.000 0.311 151 F C -1.147 174.531 175.800 -0.204 0.000 1.088 151 F CA -0.917 57.007 58.000 -0.127 0.000 0.949 151 F CB 1.591 40.503 39.000 -0.147 0.000 1.322 151 F HN 0.546 nan 8.300 nan 0.000 0.461 152 E N 1.019 120.907 120.200 -0.519 0.000 2.367 152 E HA 0.602 4.952 4.350 0.000 0.000 0.273 152 E C -1.738 174.483 176.600 -0.632 0.000 0.903 152 E CA -0.775 55.186 56.400 -0.731 0.000 0.764 152 E CB 2.028 31.186 29.700 -0.905 0.000 1.252 152 E HN 0.733 nan 8.360 nan 0.000 0.446 153 R N 3.236 123.524 120.500 -0.353 0.000 2.473 153 R HA 0.447 4.787 4.340 0.000 0.000 0.303 153 R C -0.739 175.503 176.300 -0.096 0.000 1.002 153 R CA -0.636 55.347 56.100 -0.194 0.000 0.884 153 R CB 1.011 31.295 30.300 -0.027 0.000 1.173 153 R HN 0.425 nan 8.270 nan 0.000 0.464 154 L N 2.971 124.180 121.223 -0.024 0.000 2.289 154 L HA 0.291 4.631 4.340 0.000 0.000 0.285 154 L C 0.044 176.999 176.870 0.142 0.000 1.049 154 L CA -0.852 54.066 54.840 0.130 0.000 0.804 154 L CB 1.079 43.296 42.059 0.262 0.000 1.195 154 L HN 0.398 nan 8.230 nan 0.000 0.428 155 D N 3.254 123.732 120.400 0.130 0.000 2.400 155 D HA 0.304 4.944 4.640 0.000 0.000 0.238 155 D C -0.251 176.135 176.300 0.143 0.000 1.157 155 D CA 0.365 54.426 54.000 0.103 0.000 0.889 155 D CB 1.011 41.859 40.800 0.080 0.000 1.199 155 D HN 0.222 nan 8.370 nan 0.000 0.436 156 L N 1.138 122.419 121.223 0.096 0.000 2.341 156 L HA 0.504 4.844 4.340 0.000 0.000 0.278 156 L C 1.090 178.003 176.870 0.071 0.000 1.005 156 L CA -0.825 54.074 54.840 0.099 0.000 0.818 156 L CB 1.972 44.057 42.059 0.043 0.000 1.259 156 L HN 0.316 nan 8.230 nan 0.000 0.418 157 G N 1.733 110.585 108.800 0.086 0.000 2.588 157 G HA2 0.420 4.380 3.960 0.000 0.000 0.281 157 G HA3 0.420 4.380 3.960 0.000 0.000 0.281 157 G C -0.230 174.695 174.900 0.041 0.000 1.236 157 G CA -0.573 44.563 45.100 0.060 0.000 0.969 157 G HN 0.287 nan 8.290 nan 0.000 0.504 158 V N 0.810 120.743 119.914 0.033 0.000 2.540 158 V HA 0.375 4.495 4.120 0.000 0.000 0.297 158 V C 1.597 177.710 176.094 0.031 0.000 1.024 158 V CA 1.640 63.955 62.300 0.026 0.000 1.105 158 V CB 0.378 32.213 31.823 0.021 0.000 0.938 158 V HN 1.769 nan 8.190 nan 0.000 0.482 159 G N 3.639 112.458 108.800 0.031 0.000 2.153 159 G HA2 -0.275 3.685 3.960 0.000 0.000 0.252 159 G HA3 -0.275 3.685 3.960 0.000 0.000 0.252 159 G C 0.161 175.074 174.900 0.022 0.000 0.994 159 G CA 0.461 45.583 45.100 0.037 0.000 0.698 159 G HN 0.825 nan 8.290 nan 0.000 0.521 160 E N 1.294 121.505 120.200 0.018 0.000 2.194 160 E HA 0.509 4.859 4.350 0.000 0.000 0.284 160 E C 0.730 177.302 176.600 -0.048 0.000 1.035 160 E CA 0.193 56.598 56.400 0.009 0.000 0.836 160 E CB 0.446 30.175 29.700 0.049 0.000 1.070 160 E HN 0.382 nan 8.360 nan 0.000 0.401 161 T N 0.262 114.765 114.554 -0.086 0.000 2.918 161 T HA 0.593 4.943 4.350 0.000 0.000 0.286 161 T C -0.282 174.235 174.700 -0.304 0.000 1.026 161 T CA -0.881 61.067 62.100 -0.254 0.000 1.031 161 T CB 1.626 70.246 68.868 -0.413 0.000 1.046 161 T HN 0.151 nan 8.240 nan 0.000 0.479 162 V N 2.005 121.593 119.914 -0.543 0.000 2.628 162 V HA 0.626 4.746 4.120 0.000 0.000 0.306 162 V C -1.314 174.346 176.094 -0.722 0.000 1.045 162 V CA -0.876 61.160 62.300 -0.439 0.000 0.905 162 V CB 1.168 32.752 31.823 -0.398 0.000 0.997 162 V HN 0.962 nan 8.190 nan 0.000 0.436 163 Y N 1.242 121.424 120.300 -0.198 0.000 2.609 163 Y HA 0.862 5.412 4.550 0.000 0.000 0.342 163 Y C 0.790 176.558 175.900 -0.220 0.000 1.058 163 Y CA 0.248 58.229 58.100 -0.197 0.000 1.055 163 Y CB 2.308 40.658 38.460 -0.182 0.000 1.292 163 Y HN 0.992 nan 8.280 nan 0.000 0.476 164 G N 0.074 108.844 108.800 -0.050 0.000 2.601 164 G HA2 -0.183 3.777 3.960 0.000 0.000 0.224 164 G HA3 -0.183 3.777 3.960 0.000 0.000 0.224 164 G C -0.179 174.621 174.900 -0.166 0.000 1.171 164 G CA -0.290 44.747 45.100 -0.104 0.000 1.009 164 G HN 1.176 nan 8.290 nan 0.000 0.589 165 L N 0.058 121.172 121.223 -0.183 0.000 4.232 165 L HA 0.017 4.357 4.340 0.000 0.000 0.415 165 L C 1.485 178.272 176.870 -0.139 0.000 1.168 165 L CA 1.607 56.314 54.840 -0.222 0.000 0.966 165 L CB -1.774 40.058 42.059 -0.378 0.000 2.052 165 L HN 2.882 nan 8.230 nan 0.000 0.887 166 G N -0.100 108.630 108.800 -0.117 0.000 2.447 166 G HA2 -0.173 3.787 3.960 0.000 0.000 0.220 166 G HA3 -0.173 3.787 3.960 0.000 0.000 0.220 166 G C -0.501 174.239 174.900 -0.265 0.000 1.261 166 G CA 0.075 45.081 45.100 -0.157 0.000 1.000 166 G HN 0.375 nan 8.290 nan 0.000 0.515 167 E N 1.037 121.033 120.200 -0.340 0.000 1.941 167 E HA 0.447 4.797 4.350 0.000 0.000 0.275 167 E C 0.375 176.586 176.600 -0.649 0.000 1.113 167 E CA -0.328 55.798 56.400 -0.458 0.000 0.878 167 E CB 0.070 29.547 29.700 -0.372 0.000 1.070 167 E HN 0.474 nan 8.360 nan 0.000 0.399 168 R N 3.423 123.543 120.500 -0.634 0.000 2.778 168 R HA 0.337 4.677 4.340 0.000 0.000 0.277 168 R C -0.204 175.709 176.300 -0.644 0.000 0.977 168 R CA -0.673 55.066 56.100 -0.601 0.000 0.950 168 R CB 0.859 30.994 30.300 -0.275 0.000 1.165 168 R HN 0.508 nan 8.270 nan 0.000 0.474 169 F N -0.441 119.509 119.950 0.001 0.000 2.682 169 F HA 0.062 4.589 4.527 -0.000 0.000 0.308 169 F C 1.424 177.231 175.800 0.012 0.000 1.093 169 F CA -0.339 57.678 58.000 0.027 0.000 1.244 169 F CB 0.268 39.308 39.000 0.067 0.000 1.052 169 F HN 0.467 nan 8.300 nan 0.000 0.573 170 T N -0.823 113.788 114.554 0.096 0.000 2.729 170 T HA 0.601 4.951 4.350 0.000 0.000 0.298 170 T C 0.760 175.467 174.700 0.012 0.000 1.013 170 T CA -0.551 61.579 62.100 0.049 0.000 0.957 170 T CB 0.598 69.474 68.868 0.013 0.000 1.130 170 T HN 0.167 nan 8.240 nan 0.000 0.526 171 A N 0.232 123.051 122.820 -0.002 0.000 2.561 171 A HA 0.249 4.569 4.320 0.000 0.000 0.234 171 A C 1.378 178.942 177.584 -0.033 0.000 1.055 171 A CA -0.332 51.700 52.037 -0.009 0.000 0.756 171 A CB -0.575 18.420 19.000 -0.009 0.000 0.986 171 A HN 0.989 nan 8.150 nan 0.000 0.505 172 L N 3.628 124.842 121.223 -0.016 0.000 2.017 172 L HA -0.039 4.301 4.340 0.000 0.000 0.208 172 L C 0.950 177.743 176.870 -0.128 0.000 1.073 172 L CA 1.706 56.527 54.840 -0.031 0.000 0.745 172 L CB -0.260 41.822 42.059 0.039 0.000 0.894 172 L HN 0.466 nan 8.230 nan 0.000 0.432 173 V N 0.724 120.534 119.914 -0.174 0.000 2.488 173 V HA 0.078 4.198 4.120 0.000 0.000 0.277 173 V C 1.311 177.240 176.094 -0.275 0.000 1.046 173 V CA -0.090 61.957 62.300 -0.421 0.000 0.986 173 V CB 1.136 32.745 31.823 -0.357 0.000 0.989 173 V HN 0.302 nan 8.190 nan 0.000 0.475 174 R N 2.672 122.962 120.500 -0.351 0.000 2.240 174 R HA 0.093 4.433 4.340 0.000 0.000 0.203 174 R C 0.468 176.654 176.300 -0.190 0.000 1.011 174 R CA 0.061 56.014 56.100 -0.246 0.000 1.007 174 R CB -0.309 29.819 30.300 -0.287 0.000 0.911 174 R HN 0.741 nan 8.270 nan 0.000 0.468 175 N N 0.343 118.927 118.700 -0.193 0.000 2.301 175 N HA 0.093 4.833 4.740 0.000 0.000 0.267 175 N C 0.835 176.294 175.510 -0.084 0.000 1.304 175 N CA 1.546 54.520 53.050 -0.128 0.000 0.851 175 N CB 0.565 38.996 38.487 -0.094 0.000 1.070 175 N HN 0.340 nan 8.380 nan 0.000 0.483 176 G N 1.013 109.767 108.800 -0.076 0.000 2.195 176 G HA2 -0.242 3.718 3.960 0.000 0.000 0.224 176 G HA3 -0.242 3.718 3.960 0.000 0.000 0.224 176 G C -0.145 174.724 174.900 -0.053 0.000 0.990 176 G CA -0.380 44.686 45.100 -0.057 0.000 0.639 176 G HN 0.565 nan 8.290 nan 0.000 0.514 177 Q N 0.754 120.517 119.800 -0.062 0.000 2.274 177 Q HA 0.587 4.927 4.340 0.000 0.000 0.260 177 Q C 0.166 176.148 176.000 -0.030 0.000 0.974 177 Q CA 0.016 55.790 55.803 -0.047 0.000 0.876 177 Q CB 1.925 30.626 28.738 -0.062 0.000 1.297 177 Q HN 0.336 nan 8.270 nan 0.000 0.446 178 T N -0.687 113.860 114.554 -0.010 0.000 2.882 178 T HA 0.554 4.904 4.350 0.000 0.000 0.287 178 T C -0.586 174.138 174.700 0.039 0.000 0.992 178 T CA -0.497 61.614 62.100 0.019 0.000 1.076 178 T CB 0.683 69.555 68.868 0.008 0.000 0.961 178 T HN 0.282 nan 8.240 nan 0.000 0.490 179 V N 4.697 124.670 119.914 0.098 0.000 2.569 179 V HA 0.444 4.564 4.120 0.000 0.000 0.301 179 V C -0.589 175.641 176.094 0.228 0.000 1.044 179 V CA -0.894 61.475 62.300 0.114 0.000 0.874 179 V CB 1.887 33.720 31.823 0.018 0.000 1.002 179 V HN 0.948 nan 8.190 nan 0.000 0.424 180 E N 2.523 122.836 120.200 0.189 0.000 2.133 180 E HA 0.325 4.675 4.350 0.000 0.000 0.274 180 E C -0.071 176.710 176.600 0.302 0.000 0.930 180 E CA -0.502 56.034 56.400 0.227 0.000 0.770 180 E CB 1.878 31.659 29.700 0.135 0.000 1.104 180 E HN 0.747 nan 8.360 nan 0.000 0.403 181 T N 0.970 115.756 114.554 0.386 0.000 3.176 181 T HA 0.243 4.593 4.350 0.000 0.000 0.301 181 T C -0.334 174.681 174.700 0.524 0.000 1.115 181 T CA -0.735 61.605 62.100 0.399 0.000 1.027 181 T CB -0.212 68.913 68.868 0.429 0.000 1.063 181 T HN 0.464 nan 8.240 nan 0.000 0.669 182 W N 4.040 125.464 121.300 0.206 0.000 2.934 182 W HA 0.289 4.949 4.660 -0.000 0.000 0.333 182 W C -1.356 175.338 176.519 0.293 0.000 1.035 182 W CA -0.968 56.525 57.345 0.246 0.000 1.256 182 W CB 1.337 30.878 29.460 0.136 0.000 1.306 182 W HN 0.369 nan 8.180 nan 0.000 0.430 183 N N 4.900 123.665 118.700 0.108 0.000 2.412 183 N HA 0.141 4.881 4.740 0.000 0.000 0.258 183 N C -0.347 175.244 175.510 0.134 0.000 1.236 183 N CA 0.664 53.761 53.050 0.077 0.000 0.882 183 N CB 0.696 39.148 38.487 -0.058 0.000 1.066 183 N HN 0.392 nan 8.380 nan 0.000 0.465 184 R N 0.126 120.718 120.500 0.153 0.000 2.799 184 R HA 0.251 4.591 4.340 0.000 0.000 0.270 184 R C -1.284 175.084 176.300 0.114 0.000 1.010 184 R CA -0.799 55.412 56.100 0.185 0.000 0.916 184 R CB 1.432 31.855 30.300 0.205 0.000 1.228 184 R HN 0.361 nan 8.270 nan 0.000 0.469 185 D N 0.655 121.160 120.400 0.176 0.000 2.485 185 D HA 0.261 4.901 4.640 0.000 0.000 0.221 185 D C 0.097 176.431 176.300 0.057 0.000 1.112 185 D CA -0.056 54.038 54.000 0.156 0.000 0.911 185 D CB 0.927 41.909 40.800 0.304 0.000 1.019 185 D HN 0.706 nan 8.370 nan 0.000 0.516 186 G N 1.591 110.287 108.800 -0.175 0.000 3.274 186 G HA2 0.491 4.451 3.960 0.000 0.000 0.250 186 G HA3 0.491 4.451 3.960 0.000 0.000 0.250 186 G C 0.845 175.691 174.900 -0.089 0.000 1.024 186 G CA 0.214 45.272 45.100 -0.070 0.000 0.840 186 G HN 0.846 nan 8.290 nan 0.000 0.522 187 G N 0.309 109.009 108.800 -0.166 0.000 2.598 187 G HA2 -0.054 3.906 3.960 0.000 0.000 0.244 187 G HA3 -0.054 3.906 3.960 0.000 0.000 0.244 187 G C 0.833 175.563 174.900 -0.284 0.000 1.302 187 G CA 0.863 45.949 45.100 -0.022 0.000 0.903 187 G HN 1.230 nan 8.290 nan 0.000 0.575 188 T N -4.003 110.359 114.554 -0.319 0.000 3.084 188 T HA 0.560 4.910 4.350 0.000 0.000 0.270 188 T C 1.363 175.768 174.700 -0.492 0.000 1.008 188 T CA 1.154 62.618 62.100 -1.060 0.000 0.900 188 T CB 0.436 68.778 68.868 -0.876 0.000 1.084 188 T HN 0.973 nan 8.240 nan 0.000 0.538 189 S N 1.593 117.218 115.700 -0.124 0.000 2.578 189 S HA 0.281 4.751 4.470 0.000 0.000 0.231 189 S C 0.797 175.426 174.600 0.048 0.000 0.994 189 S CA -0.109 58.094 58.200 0.005 0.000 0.956 189 S CB 0.548 63.755 63.200 0.012 0.000 0.870 189 S HN 0.877 nan 8.310 nan 0.000 0.494 190 T N -0.545 114.054 114.554 0.076 0.000 2.831 190 T HA 0.372 4.722 4.350 0.000 0.000 0.287 190 T C 0.715 175.497 174.700 0.137 0.000 1.070 190 T CA -0.654 61.501 62.100 0.091 0.000 1.010 190 T CB 1.320 70.229 68.868 0.069 0.000 1.264 190 T HN -0.030 nan 8.240 nan 0.000 0.532 191 E N 0.154 120.414 120.200 0.099 0.000 2.472 191 E HA -0.079 4.271 4.350 0.000 0.000 0.200 191 E C 0.231 176.890 176.600 0.099 0.000 1.046 191 E CA 0.557 57.010 56.400 0.088 0.000 0.871 191 E CB -0.193 29.543 29.700 0.060 0.000 0.806 191 E HN 0.729 nan 8.360 nan 0.000 0.533 192 Q N 0.197 120.062 119.800 0.109 0.000 2.317 192 Q HA 0.565 4.905 4.340 0.000 0.000 0.229 192 Q C -0.604 175.451 176.000 0.092 0.000 0.984 192 Q CA -0.086 55.773 55.803 0.095 0.000 0.911 192 Q CB 1.448 30.227 28.738 0.068 0.000 1.217 192 Q HN 0.261 nan 8.270 nan 0.000 0.501 193 A N 0.514 123.361 122.820 0.045 0.000 2.520 193 A HA 0.422 4.742 4.320 0.000 0.000 0.298 193 A C -1.064 176.522 177.584 0.003 0.000 1.051 193 A CA -0.668 51.380 52.037 0.018 0.000 0.690 193 A CB 0.470 19.456 19.000 -0.024 0.000 1.281 193 A HN 0.780 nan 8.150 nan 0.000 0.402 194 Y N 0.827 121.190 120.300 0.105 0.000 2.373 194 Y HA 0.062 4.612 4.550 -0.000 0.000 0.293 194 Y C 0.760 176.649 175.900 -0.017 0.000 1.129 194 Y CA 1.295 59.409 58.100 0.022 0.000 1.226 194 Y CB 0.129 38.555 38.460 -0.058 0.000 1.000 194 Y HN 0.505 nan 8.280 nan 0.000 0.549 195 K N 1.424 121.885 120.400 0.101 0.000 2.579 195 K HA 0.239 4.559 4.320 0.000 0.000 0.225 195 K C -1.087 175.477 176.600 -0.059 0.000 0.992 195 K CA -0.281 55.984 56.287 -0.038 0.000 1.018 195 K CB 0.696 33.058 32.500 -0.229 0.000 1.249 195 K HN 0.061 nan 8.250 nan 0.000 0.489 196 N N 3.465 122.187 118.700 0.038 0.000 2.430 196 N HA 0.449 5.189 4.740 0.000 0.000 0.292 196 N C -0.795 174.784 175.510 0.115 0.000 1.051 196 N CA -0.448 52.648 53.050 0.077 0.000 0.917 196 N CB 1.687 40.276 38.487 0.170 0.000 1.164 196 N HN 0.285 nan 8.380 nan 0.000 0.484 197 I N 2.904 123.533 120.570 0.099 0.000 2.548 197 I HA 0.219 4.389 4.170 0.000 0.000 0.287 197 I C -2.274 173.930 176.117 0.144 0.000 1.103 197 I CA -1.952 59.431 61.300 0.139 0.000 1.049 197 I CB 2.178 40.261 38.000 0.139 0.000 1.232 197 I HN 0.220 nan 8.210 nan 0.000 0.429 198 P HA 0.134 nan 4.420 nan 0.000 0.226 198 P C -0.545 176.932 177.300 0.295 0.000 1.758 198 P CA 0.136 63.457 63.100 0.368 0.000 0.896 198 P CB -0.587 31.475 31.700 0.603 0.000 1.784 199 F N 2.792 122.700 119.950 -0.070 0.000 2.493 199 F HA 0.526 5.053 4.527 -0.000 0.000 0.329 199 F C -1.062 174.607 175.800 -0.219 0.000 1.126 199 F CA -1.422 56.464 58.000 -0.191 0.000 0.937 199 F CB 1.351 40.110 39.000 -0.401 0.000 1.146 199 F HN -0.044 nan 8.300 nan 0.000 0.442 200 Y N 5.804 125.492 120.300 -1.019 0.000 2.570 200 Y HA 0.795 5.345 4.550 -0.000 0.000 0.345 200 Y C -1.071 174.134 175.900 -1.160 0.000 1.014 200 Y CA -1.754 55.778 58.100 -0.946 0.000 1.063 200 Y CB 1.507 39.639 38.460 -0.548 0.000 1.272 200 Y HN 0.818 nan 8.280 nan 0.000 0.477 201 M N 1.827 121.089 119.600 -0.565 0.000 2.631 201 M HA 0.848 5.328 4.480 0.000 0.000 0.288 201 M C -1.396 174.829 176.300 -0.125 0.000 1.260 201 M CA -0.518 54.510 55.300 -0.453 0.000 0.842 201 M CB 2.685 35.052 32.600 -0.388 0.000 1.743 201 M HN 0.956 nan 8.290 nan 0.000 0.461 202 T N -1.838 112.555 114.554 -0.268 0.000 2.888 202 T HA 0.426 4.776 4.350 0.000 0.000 0.288 202 T C 0.356 174.995 174.700 -0.100 0.000 1.063 202 T CA -0.520 61.506 62.100 -0.123 0.000 1.010 202 T CB 1.130 69.826 68.868 -0.287 0.000 1.214 202 T HN 0.848 nan 8.240 nan 0.000 0.533 203 N N -0.013 118.700 118.700 0.022 0.000 2.434 203 N HA -0.006 4.734 4.740 0.000 0.000 0.196 203 N C 0.740 176.236 175.510 -0.023 0.000 1.183 203 N CA -0.204 52.835 53.050 -0.018 0.000 0.849 203 N CB -0.231 38.279 38.487 0.037 0.000 0.992 203 N HN 0.432 nan 8.380 nan 0.000 0.460 204 R N 0.013 120.488 120.500 -0.042 0.000 2.427 204 R HA 0.223 4.563 4.340 0.000 0.000 0.262 204 R C 0.518 176.865 176.300 0.077 0.000 0.943 204 R CA 0.377 56.509 56.100 0.054 0.000 1.081 204 R CB -0.400 30.011 30.300 0.184 0.000 1.166 204 R HN 0.383 nan 8.270 nan 0.000 0.534 205 G N 1.892 110.669 108.800 -0.038 0.000 2.248 205 G HA2 -0.297 3.663 3.960 0.000 0.000 0.263 205 G HA3 -0.297 3.663 3.960 0.000 0.000 0.263 205 G C -0.432 174.531 174.900 0.104 0.000 1.082 205 G CA 0.677 45.781 45.100 0.007 0.000 0.863 205 G HN 0.487 nan 8.290 nan 0.000 0.495 206 Y N -2.493 117.803 120.300 -0.007 0.000 2.625 206 Y HA 0.807 5.357 4.550 -0.000 0.000 0.338 206 Y C 0.252 176.105 175.900 -0.078 0.000 1.123 206 Y CA -1.282 56.805 58.100 -0.021 0.000 1.046 206 Y CB 0.784 39.235 38.460 -0.015 0.000 1.299 206 Y HN 0.737 nan 8.280 nan 0.000 0.464 207 G N 0.211 109.038 108.800 0.044 0.000 2.630 207 G HA2 0.654 4.614 3.960 0.000 0.000 0.296 207 G HA3 0.654 4.614 3.960 0.000 0.000 0.296 207 G C -2.187 172.627 174.900 -0.143 0.000 1.285 207 G CA -1.320 43.647 45.100 -0.222 0.000 0.958 207 G HN 0.768 nan 8.290 nan 0.000 0.479 208 V N 0.762 120.353 119.914 -0.540 0.000 2.569 208 V HA 0.417 4.537 4.120 0.000 0.000 0.301 208 V C -0.938 175.096 176.094 -0.099 0.000 1.044 208 V CA -0.634 61.479 62.300 -0.311 0.000 0.874 208 V CB 1.458 32.913 31.823 -0.614 0.000 1.002 208 V HN 0.738 nan 8.190 nan 0.000 0.424 209 L N 6.679 128.097 121.223 0.324 0.000 2.272 209 L HA 0.688 5.028 4.340 0.000 0.000 0.289 209 L C -0.384 176.727 176.870 0.400 0.000 1.032 209 L CA 0.086 55.202 54.840 0.459 0.000 0.810 209 L CB 1.663 44.096 42.059 0.623 0.000 1.205 209 L HN 0.448 nan 8.230 nan 0.000 0.422 210 V N 4.995 125.092 119.914 0.306 0.000 2.385 210 V HA 0.268 4.388 4.120 0.000 0.000 0.269 210 V C 0.335 176.683 176.094 0.424 0.000 1.043 210 V CA -0.518 61.933 62.300 0.251 0.000 0.906 210 V CB 0.900 32.710 31.823 -0.021 0.000 0.995 210 V HN 0.800 nan 8.190 nan 0.000 0.467 211 N N 4.341 123.238 118.700 0.328 0.000 3.298 211 N HA 0.126 4.866 4.740 0.000 0.000 0.292 211 N C -0.563 174.820 175.510 -0.211 0.000 1.271 211 N CA -0.023 53.194 53.050 0.279 0.000 1.184 211 N CB -0.370 38.335 38.487 0.364 0.000 1.452 211 N HN 0.708 nan 8.380 nan 0.000 0.534 212 H N 0.637 119.844 119.070 0.229 0.000 3.181 212 H HA 0.222 4.778 4.556 0.000 0.000 0.331 212 H C -2.029 173.251 175.328 -0.080 0.000 0.988 212 H CA -1.191 54.871 56.048 0.023 0.000 1.449 212 H CB 2.108 31.910 29.762 0.067 0.000 1.749 212 H HN 0.243 nan 8.280 nan 0.000 0.501 213 P HA -0.130 nan 4.420 nan 0.000 0.223 213 P C 1.044 178.439 177.300 0.158 0.000 1.151 213 P CA 0.856 63.795 63.100 -0.268 0.000 0.787 213 P CB 0.560 31.981 31.700 -0.465 0.000 0.788 214 Q N -0.225 119.693 119.800 0.197 0.000 2.527 214 Q HA 0.018 4.358 4.340 0.000 0.000 0.189 214 Q C 0.151 176.400 176.000 0.415 0.000 1.116 214 Q CA -0.337 55.667 55.803 0.336 0.000 1.169 214 Q CB -0.731 28.140 28.738 0.223 0.000 1.211 214 Q HN -0.022 nan 8.270 nan 0.000 0.649 215 C N 1.186 120.729 119.300 0.406 0.000 2.633 215 C HA 0.343 4.803 4.460 0.000 0.000 0.415 215 C C -0.004 175.099 174.990 0.189 0.000 1.393 215 C CA -0.323 58.880 59.018 0.309 0.000 1.700 215 C CB -1.102 26.582 27.740 -0.092 0.000 2.541 215 C HN 0.437 nan 8.230 nan 0.000 0.603 216 V N 6.695 126.752 119.914 0.238 0.000 2.435 216 V HA 0.436 4.556 4.120 0.000 0.000 0.290 216 V C 0.255 176.404 176.094 0.093 0.000 1.030 216 V CA -0.133 62.230 62.300 0.105 0.000 0.881 216 V CB 1.902 33.788 31.823 0.105 0.000 0.983 216 V HN 0.905 nan 8.190 nan 0.000 0.445 217 S N 4.967 120.642 115.700 -0.041 0.000 2.461 217 S HA 0.629 5.099 4.470 0.000 0.000 0.322 217 S C -0.882 173.695 174.600 -0.039 0.000 1.063 217 S CA -0.430 57.773 58.200 0.004 0.000 1.120 217 S CB -0.239 62.923 63.200 -0.064 0.000 0.968 217 S HN 0.383 nan 8.310 nan 0.000 0.467 218 F N 2.986 122.981 119.950 0.075 0.000 2.408 218 F HA 0.437 4.964 4.527 0.000 0.000 0.344 218 F C 0.895 176.695 175.800 -0.000 0.000 1.112 218 F CA -0.643 57.402 58.000 0.075 0.000 1.096 218 F CB 1.213 40.244 39.000 0.052 0.000 1.129 218 F HN 0.391 nan 8.300 nan 0.000 0.486 219 E N 3.423 123.707 120.200 0.140 0.000 2.183 219 E HA 0.244 4.594 4.350 0.000 0.000 0.250 219 E C -1.007 175.607 176.600 0.023 0.000 0.901 219 E CA -0.354 56.070 56.400 0.040 0.000 0.741 219 E CB 1.856 31.541 29.700 -0.026 0.000 1.182 219 E HN 0.247 nan 8.360 nan 0.000 0.425 220 V N 1.840 121.749 119.914 -0.008 0.000 2.299 220 V HA 0.228 4.348 4.120 0.000 0.000 0.255 220 V C 1.324 177.364 176.094 -0.091 0.000 1.100 220 V CA 0.159 62.409 62.300 -0.083 0.000 0.938 220 V CB 0.347 32.074 31.823 -0.160 0.000 1.139 220 V HN 0.928 nan 8.190 nan 0.000 0.490 221 G N 4.578 113.332 108.800 -0.076 0.000 2.258 221 G HA2 -0.305 3.655 3.960 0.000 0.000 0.274 221 G HA3 -0.305 3.655 3.960 0.000 0.000 0.274 221 G C 0.822 175.687 174.900 -0.059 0.000 1.021 221 G CA 0.833 45.894 45.100 -0.065 0.000 0.798 221 G HN 1.052 nan 8.290 nan 0.000 0.507 222 S N -2.213 113.454 115.700 -0.055 0.000 2.540 222 S HA 0.377 4.847 4.470 0.000 0.000 0.222 222 S C 1.291 175.857 174.600 -0.057 0.000 1.008 222 S CA 0.823 58.992 58.200 -0.051 0.000 0.939 222 S CB 0.680 63.854 63.200 -0.043 0.000 0.865 222 S HN 0.649 nan 8.310 nan 0.000 0.499 223 E N 1.033 121.194 120.200 -0.065 0.000 2.419 223 E HA 0.212 4.562 4.350 0.000 0.000 0.197 223 E C -0.512 176.038 176.600 -0.084 0.000 0.920 223 E CA -0.030 56.322 56.400 -0.081 0.000 1.085 223 E CB 0.507 30.146 29.700 -0.101 0.000 1.084 223 E HN 0.038 nan 8.360 nan 0.000 0.490 224 K N 2.374 122.727 120.400 -0.079 0.000 2.316 224 K HA 0.148 4.468 4.320 0.000 0.000 0.267 224 K C 0.948 177.511 176.600 -0.061 0.000 1.025 224 K CA -0.029 56.213 56.287 -0.076 0.000 0.896 224 K CB 1.792 34.251 32.500 -0.069 0.000 1.124 224 K HN 0.206 nan 8.250 nan 0.000 0.451 225 V N 0.272 120.150 119.914 -0.061 0.000 2.759 225 V HA -0.135 3.985 4.120 0.000 0.000 0.256 225 V C 1.129 177.198 176.094 -0.042 0.000 1.080 225 V CA 1.737 64.007 62.300 -0.051 0.000 1.101 225 V CB -0.546 31.249 31.823 -0.047 0.000 0.698 225 V HN 0.604 nan 8.190 nan 0.000 0.477 226 S N -1.142 114.536 115.700 -0.037 0.000 2.561 226 S HA 0.525 4.995 4.470 0.000 0.000 0.245 226 S C -0.020 174.575 174.600 -0.009 0.000 1.001 226 S CA -0.621 57.567 58.200 -0.020 0.000 1.002 226 S CB -0.247 62.943 63.200 -0.016 0.000 0.805 226 S HN 0.687 nan 8.310 nan 0.000 0.458 227 K N 0.256 120.645 120.400 -0.019 0.000 2.532 227 K HA 0.566 4.886 4.320 0.000 0.000 0.265 227 K C -1.588 174.999 176.600 -0.021 0.000 0.948 227 K CA -0.629 55.656 56.287 -0.004 0.000 0.842 227 K CB 2.448 34.942 32.500 -0.011 0.000 1.392 227 K HN 0.033 nan 8.250 nan 0.000 0.436 228 V N 2.625 122.539 119.914 0.001 0.000 2.364 228 V HA 0.257 4.377 4.120 0.000 0.000 0.272 228 V C -0.305 175.818 176.094 0.048 0.000 1.036 228 V CA -0.468 61.832 62.300 -0.000 0.000 0.880 228 V CB 1.051 32.801 31.823 -0.121 0.000 0.991 228 V HN 0.630 nan 8.190 nan 0.000 0.460 229 Q N 5.173 124.988 119.800 0.024 0.000 2.256 229 Q HA 0.663 5.003 4.340 0.000 0.000 0.257 229 Q C -1.475 174.520 176.000 -0.008 0.000 0.936 229 Q CA -0.575 55.181 55.803 -0.077 0.000 0.903 229 Q CB 1.482 30.183 28.738 -0.062 0.000 1.263 229 Q HN 0.718 nan 8.270 nan 0.000 0.440 230 F N 0.415 120.300 119.950 -0.108 0.000 2.578 230 F HA 0.736 5.263 4.527 -0.000 0.000 0.311 230 F C -0.941 174.755 175.800 -0.174 0.000 1.094 230 F CA -0.924 56.871 58.000 -0.342 0.000 0.923 230 F CB 1.610 40.168 39.000 -0.737 0.000 1.230 230 F HN 0.431 nan 8.300 nan 0.000 0.450 231 S N 1.782 117.463 115.700 -0.030 0.000 2.569 231 S HA 0.894 5.364 4.470 0.000 0.000 0.280 231 S C -1.749 172.847 174.600 -0.006 0.000 1.111 231 S CA -0.861 57.346 58.200 0.013 0.000 0.887 231 S CB 1.855 65.022 63.200 -0.054 0.000 1.095 231 S HN 1.336 nan 8.310 nan 0.000 0.476 232 V N 0.683 120.617 119.914 0.034 0.000 2.932 232 V HA 0.507 4.627 4.120 0.000 0.000 0.307 232 V C -1.074 175.057 176.094 0.062 0.000 1.147 232 V CA -0.667 61.616 62.300 -0.027 0.000 0.951 232 V CB 1.942 33.571 31.823 -0.323 0.000 1.031 232 V HN 1.118 nan 8.190 nan 0.000 0.426 233 E N 3.603 123.826 120.200 0.039 0.000 2.029 233 E HA 0.519 4.869 4.350 0.000 0.000 0.276 233 E C -0.613 175.872 176.600 -0.192 0.000 1.163 233 E CA 0.280 56.541 56.400 -0.232 0.000 0.909 233 E CB 0.480 30.000 29.700 -0.300 0.000 1.046 233 E HN 0.714 nan 8.360 nan 0.000 0.406 234 S N 3.080 118.678 115.700 -0.170 0.000 2.597 234 S HA 0.087 4.557 4.470 0.000 0.000 0.274 234 S C -0.115 174.512 174.600 0.046 0.000 1.132 234 S CA -0.695 57.446 58.200 -0.099 0.000 0.835 234 S CB 1.284 64.300 63.200 -0.306 0.000 1.092 234 S HN 0.527 nan 8.310 nan 0.000 0.457 235 E N 0.898 121.206 120.200 0.179 0.000 2.502 235 E HA 0.146 4.496 4.350 0.000 0.000 0.194 235 E C -0.331 176.485 176.600 0.360 0.000 1.062 235 E CA 0.581 57.164 56.400 0.306 0.000 0.867 235 E CB 0.050 29.934 29.700 0.307 0.000 0.888 235 E HN 0.607 nan 8.360 nan 0.000 0.510 236 Y N -1.971 118.446 120.300 0.195 0.000 2.588 236 Y HA 0.609 5.159 4.550 -0.000 0.000 0.343 236 Y C -1.273 174.772 175.900 0.241 0.000 1.065 236 Y CA -1.735 56.487 58.100 0.203 0.000 1.038 236 Y CB 0.949 39.510 38.460 0.167 0.000 1.297 236 Y HN -0.211 nan 8.280 nan 0.000 0.467 237 L N 2.585 123.932 121.223 0.206 0.000 2.341 237 L HA 0.620 4.960 4.340 0.000 0.000 0.278 237 L C -1.087 176.069 176.870 0.477 0.000 1.005 237 L CA -0.502 54.498 54.840 0.267 0.000 0.818 237 L CB 1.927 44.133 42.059 0.246 0.000 1.259 237 L HN 0.903 nan 8.230 nan 0.000 0.418 238 E N 3.827 124.388 120.200 0.601 0.000 2.234 238 E HA 0.529 4.879 4.350 0.000 0.000 0.266 238 E C -1.967 174.725 176.600 0.153 0.000 0.877 238 E CA -0.628 55.908 56.400 0.228 0.000 0.758 238 E CB 1.447 31.252 29.700 0.174 0.000 1.170 238 E HN 0.576 nan 8.360 nan 0.000 0.415 239 Y N 1.317 121.527 120.300 -0.150 0.000 2.615 239 Y HA 0.688 5.238 4.550 -0.000 0.000 0.341 239 Y C -1.753 173.862 175.900 -0.475 0.000 1.089 239 Y CA -1.476 56.519 58.100 -0.175 0.000 1.049 239 Y CB 1.012 39.495 38.460 0.039 0.000 1.296 239 Y HN 0.251 nan 8.280 nan 0.000 0.470 240 F N 1.302 121.370 119.950 0.197 0.000 2.493 240 F HA 0.629 5.156 4.527 0.000 0.000 0.329 240 F C -0.602 175.239 175.800 0.069 0.000 1.126 240 F CA -1.262 56.765 58.000 0.045 0.000 0.937 240 F CB 2.077 41.152 39.000 0.125 0.000 1.146 240 F HN 0.341 nan 8.300 nan 0.000 0.442 241 V N 5.112 125.076 119.914 0.084 0.000 2.407 241 V HA 0.383 4.503 4.120 0.000 0.000 0.278 241 V C 0.042 176.166 176.094 0.050 0.000 1.037 241 V CA -0.530 61.748 62.300 -0.036 0.000 0.900 241 V CB 1.376 32.952 31.823 -0.412 0.000 0.983 241 V HN 0.554 nan 8.190 nan 0.000 0.459 242 I N 3.804 124.440 120.570 0.110 0.000 2.410 242 I HA 0.336 4.506 4.170 0.000 0.000 0.286 242 I C -0.310 175.880 176.117 0.121 0.000 1.009 242 I CA -0.491 60.877 61.300 0.113 0.000 1.111 242 I CB 1.791 39.914 38.000 0.204 0.000 1.262 242 I HN 0.535 nan 8.210 nan 0.000 0.443 243 D N 4.126 124.570 120.400 0.073 0.000 2.344 243 D HA 0.347 4.987 4.640 0.000 0.000 0.244 243 D C 0.628 176.971 176.300 0.071 0.000 1.134 243 D CA 0.257 54.305 54.000 0.080 0.000 0.930 243 D CB 1.715 42.540 40.800 0.041 0.000 1.175 243 D HN 0.603 nan 8.370 nan 0.000 0.437 244 G N 0.749 109.593 108.800 0.073 0.000 2.606 244 G HA2 0.122 4.082 3.960 0.000 0.000 0.213 244 G HA3 0.122 4.082 3.960 0.000 0.000 0.213 244 G C -1.546 173.366 174.900 0.019 0.000 2.020 244 G CA -0.157 44.968 45.100 0.041 0.000 0.814 244 G HN 0.577 nan 8.290 nan 0.000 0.685 245 P HA 0.172 nan 4.420 nan 0.000 0.257 245 P C 0.228 177.539 177.300 0.018 0.000 1.281 245 P CA 0.613 63.733 63.100 0.033 0.000 0.826 245 P CB 0.120 31.837 31.700 0.028 0.000 1.237 246 T N -4.585 109.967 114.554 -0.003 0.000 2.940 246 T HA 0.445 4.795 4.350 0.000 0.000 0.288 246 T C -2.142 172.534 174.700 -0.040 0.000 1.033 246 T CA -2.346 59.737 62.100 -0.027 0.000 1.033 246 T CB 1.831 70.675 68.868 -0.040 0.000 1.079 246 T HN -0.358 nan 8.240 nan 0.000 0.496 247 P HA -0.081 nan 4.420 nan 0.000 0.216 247 P C 1.237 178.499 177.300 -0.063 0.000 1.153 247 P CA 1.297 64.345 63.100 -0.087 0.000 0.858 247 P CB 0.076 31.689 31.700 -0.145 0.000 0.789 248 K N -0.919 119.439 120.400 -0.071 0.000 2.148 248 K HA -0.003 4.317 4.320 0.000 0.000 0.204 248 K C 2.108 178.680 176.600 -0.048 0.000 1.050 248 K CA 1.259 57.506 56.287 -0.067 0.000 0.942 248 K CB -0.485 31.967 32.500 -0.080 0.000 0.724 248 K HN 0.040 nan 8.250 nan 0.000 0.446 249 A N 0.805 123.603 122.820 -0.036 0.000 1.929 249 A HA -0.077 4.243 4.320 0.000 0.000 0.216 249 A C 2.290 179.873 177.584 -0.002 0.000 1.176 249 A CA 1.015 53.038 52.037 -0.023 0.000 0.628 249 A CB -0.496 18.493 19.000 -0.019 0.000 0.816 249 A HN 0.041 nan 8.150 nan 0.000 0.444 250 V N 0.295 120.219 119.914 0.017 0.000 2.255 250 V HA -0.291 3.829 4.120 0.000 0.000 0.247 250 V C 2.554 178.694 176.094 0.076 0.000 1.051 250 V CA 2.092 64.433 62.300 0.069 0.000 1.018 250 V CB -0.797 31.082 31.823 0.092 0.000 0.641 250 V HN 0.575 nan 8.190 nan 0.000 0.445 251 L N -0.080 121.163 121.223 0.034 0.000 2.093 251 L HA -0.172 4.168 4.340 0.000 0.000 0.208 251 L C 2.459 179.318 176.870 -0.019 0.000 1.085 251 L CA 1.787 56.628 54.840 0.003 0.000 0.755 251 L CB -0.645 41.391 42.059 -0.037 0.000 0.904 251 L HN 0.430 nan 8.230 nan 0.000 0.435 252 D N 0.432 120.811 120.400 -0.035 0.000 2.092 252 D HA -0.200 4.440 4.640 0.000 0.000 0.193 252 D C 2.290 178.557 176.300 -0.054 0.000 0.994 252 D CA 1.505 55.472 54.000 -0.056 0.000 0.828 252 D CB 0.090 40.859 40.800 -0.053 0.000 0.963 252 D HN 0.112 nan 8.370 nan 0.000 0.450 253 R N -1.066 119.417 120.500 -0.027 0.000 2.073 253 R HA -0.180 4.160 4.340 0.000 0.000 0.234 253 R C 2.479 178.765 176.300 -0.024 0.000 1.134 253 R CA 1.362 57.442 56.100 -0.033 0.000 0.952 253 R CB -0.757 29.530 30.300 -0.022 0.000 0.850 253 R HN 0.354 nan 8.270 nan 0.000 0.433 254 Y N 2.067 122.288 120.300 -0.131 0.000 2.128 254 Y HA -0.266 4.284 4.550 -0.000 0.000 0.284 254 Y C 2.557 178.306 175.900 -0.251 0.000 1.154 254 Y CA 2.166 60.133 58.100 -0.221 0.000 1.149 254 Y CB -0.478 37.659 38.460 -0.539 0.000 0.976 254 Y HN 0.142 nan 8.280 nan 0.000 0.505 255 T N -1.655 112.715 114.554 -0.306 0.000 2.985 255 T HA -0.115 4.235 4.350 0.000 0.000 0.266 255 T C 2.006 176.517 174.700 -0.315 0.000 1.076 255 T CA 1.067 62.925 62.100 -0.403 0.000 1.135 255 T CB -0.457 68.250 68.868 -0.268 0.000 0.890 255 T HN 0.429 nan 8.240 nan 0.000 0.480 256 R N -0.555 119.826 120.500 -0.199 0.000 2.096 256 R HA -0.041 4.299 4.340 0.000 0.000 0.235 256 R C 2.118 178.348 176.300 -0.117 0.000 1.127 256 R CA 1.187 57.203 56.100 -0.140 0.000 0.968 256 R CB -0.462 29.783 30.300 -0.092 0.000 0.861 256 R HN 0.406 nan 8.270 nan 0.000 0.440 257 F N 1.043 120.778 119.950 -0.358 0.000 2.163 257 F HA -0.057 4.470 4.527 -0.000 0.000 0.297 257 F C 2.060 177.580 175.800 -0.466 0.000 1.094 257 F CA 1.896 59.660 58.000 -0.393 0.000 1.290 257 F CB -0.400 38.344 39.000 -0.427 0.000 1.017 257 F HN 0.141 nan 8.300 nan 0.000 0.483 258 T N -2.621 111.524 114.554 -0.681 0.000 2.985 258 T HA 0.528 4.878 4.350 0.000 0.000 0.254 258 T C 0.750 175.094 174.700 -0.593 0.000 1.021 258 T CA 0.313 61.925 62.100 -0.813 0.000 0.957 258 T CB 0.095 68.271 68.868 -1.153 0.000 1.047 258 T HN 0.564 nan 8.240 nan 0.000 0.511 259 G N 1.471 109.973 108.800 -0.497 0.000 2.760 259 G HA2 0.216 4.176 3.960 0.000 0.000 0.540 259 G HA3 0.216 4.176 3.960 0.000 0.000 0.540 259 G C -1.292 173.363 174.900 -0.408 0.000 1.476 259 G CA -1.301 43.548 45.100 -0.420 0.000 0.949 259 G HN 0.297 nan 8.290 nan 0.000 0.633 260 R N 1.806 122.121 120.500 -0.308 0.000 2.389 260 R HA 0.387 4.727 4.340 0.000 0.000 0.295 260 R C -2.340 173.795 176.300 -0.275 0.000 1.075 260 R CA -2.021 53.928 56.100 -0.253 0.000 1.005 260 R CB 0.342 30.544 30.300 -0.163 0.000 0.987 260 R HN 0.313 nan 8.270 nan 0.000 0.452 261 P HA -0.076 nan 4.420 nan 0.000 0.261 261 P C -0.486 176.793 177.300 -0.035 0.000 1.173 261 P CA 0.497 63.516 63.100 -0.136 0.000 0.760 261 P CB 0.496 32.183 31.700 -0.022 0.000 0.783 262 A N 3.789 126.568 122.820 -0.068 0.000 2.366 262 A HA 0.281 4.601 4.320 0.000 0.000 0.249 262 A C -0.194 177.461 177.584 0.118 0.000 1.084 262 A CA -0.302 51.760 52.037 0.041 0.000 0.794 262 A CB -0.144 18.929 19.000 0.121 0.000 1.034 262 A HN 0.576 nan 8.150 nan 0.000 0.491 263 L N 3.171 124.457 121.223 0.106 0.000 2.325 263 L HA 0.421 4.761 4.340 0.000 0.000 0.284 263 L C -2.147 174.737 176.870 0.023 0.000 1.089 263 L CA -1.527 53.336 54.840 0.038 0.000 0.836 263 L CB 0.384 42.458 42.059 0.025 0.000 1.184 263 L HN 0.380 nan 8.230 nan 0.000 0.444 264 P HA 0.262 nan 4.420 nan 0.000 0.275 264 P C -2.642 174.757 177.300 0.165 0.000 1.228 264 P CA -1.303 61.757 63.100 -0.067 0.000 0.786 264 P CB -0.190 31.293 31.700 -0.361 0.000 0.927 265 P HA -0.067 nan 4.420 nan 0.000 0.268 265 P C 0.374 177.704 177.300 0.050 0.000 1.208 265 P CA 0.174 63.204 63.100 -0.116 0.000 0.777 265 P CB 0.530 31.871 31.700 -0.598 0.000 0.875 266 A N 3.707 126.560 122.820 0.055 0.000 1.972 266 A HA -0.155 4.165 4.320 0.000 0.000 0.219 266 A C 2.068 179.813 177.584 0.268 0.000 1.169 266 A CA 1.378 53.460 52.037 0.075 0.000 0.635 266 A CB -1.607 17.293 19.000 -0.167 0.000 0.810 266 A HN 0.839 nan 8.150 nan 0.000 0.446 267 W N 0.723 122.138 121.300 0.191 0.000 2.392 267 W HA -0.145 4.515 4.660 -0.000 0.000 0.279 267 W C 1.785 178.420 176.519 0.193 0.000 1.225 267 W CA 1.269 58.690 57.345 0.126 0.000 1.233 267 W CB -1.313 28.172 29.460 0.041 0.000 1.122 267 W HN 0.506 nan 8.180 nan 0.000 0.561 268 S N 0.404 116.075 115.700 -0.049 0.000 2.474 268 S HA -0.147 4.323 4.470 0.000 0.000 0.235 268 S C 1.342 176.123 174.600 0.302 0.000 0.997 268 S CA 0.588 58.869 58.200 0.135 0.000 0.949 268 S CB -1.374 61.714 63.200 -0.187 0.000 0.766 268 S HN 0.201 nan 8.310 nan 0.000 0.517 269 F N 2.539 122.543 119.950 0.090 0.000 2.811 269 F HA 0.355 4.882 4.527 0.000 0.000 0.301 269 F C 1.880 177.729 175.800 0.082 0.000 1.151 269 F CA -0.174 57.779 58.000 -0.078 0.000 1.412 269 F CB -0.476 38.486 39.000 -0.064 0.000 1.113 269 F HN 0.328 nan 8.300 nan 0.000 0.579 270 G N 0.024 109.011 108.800 0.313 0.000 2.508 270 G HA2 0.325 4.285 3.960 0.000 0.000 0.278 270 G HA3 0.325 4.285 3.960 0.000 0.000 0.278 270 G C -1.049 174.163 174.900 0.519 0.000 1.389 270 G CA -0.555 44.696 45.100 0.251 0.000 1.050 270 G HN -0.031 nan 8.290 nan 0.000 0.522 271 L N -0.262 121.373 121.223 0.686 0.000 2.319 271 L HA 0.513 4.853 4.340 0.000 0.000 0.280 271 L C -1.118 175.981 176.870 0.381 0.000 1.099 271 L CA -1.057 54.048 54.840 0.441 0.000 0.828 271 L CB 0.420 42.642 42.059 0.271 0.000 1.150 271 L HN 0.412 nan 8.230 nan 0.000 0.442 272 W N 6.244 127.576 121.300 0.054 0.000 2.496 272 W HA 0.608 5.268 4.660 -0.000 0.000 0.327 272 W C -0.495 175.958 176.519 -0.111 0.000 1.086 272 W CA -0.551 56.762 57.345 -0.053 0.000 1.222 272 W CB 0.888 30.227 29.460 -0.203 0.000 1.304 272 W HN 0.297 nan 8.180 nan 0.000 0.547 273 L N 3.262 124.522 121.223 0.063 0.000 2.381 273 L HA 0.641 4.981 4.340 0.000 0.000 0.268 273 L C 0.124 176.796 176.870 -0.332 0.000 0.997 273 L CA -0.484 54.337 54.840 -0.032 0.000 0.818 273 L CB 2.265 44.399 42.059 0.124 0.000 1.310 273 L HN 0.617 nan 8.230 nan 0.000 0.416 274 T N -1.832 112.574 114.554 -0.247 0.000 2.927 274 T HA 0.279 4.629 4.350 0.000 0.000 0.286 274 T C 1.011 175.606 174.700 -0.175 0.000 1.040 274 T CA 0.182 62.048 62.100 -0.390 0.000 1.010 274 T CB 1.546 70.443 68.868 0.048 0.000 1.177 274 T HN 0.703 nan 8.240 nan 0.000 0.546 275 T N -1.216 113.192 114.554 -0.242 0.000 3.072 275 T HA 0.261 4.611 4.350 0.000 0.000 0.266 275 T C 0.888 175.665 174.700 0.128 0.000 1.127 275 T CA 0.348 62.420 62.100 -0.048 0.000 1.107 275 T CB -0.849 67.494 68.868 -0.876 0.000 0.910 275 T HN 1.012 nan 8.240 nan 0.000 0.513 276 S N -0.147 115.654 115.700 0.168 0.000 3.849 276 S HA -0.157 4.313 4.470 0.000 0.000 0.654 276 S C -0.029 174.790 174.600 0.364 0.000 1.808 276 S CA 0.168 58.475 58.200 0.179 0.000 1.951 276 S CB -1.339 61.897 63.200 0.060 0.000 0.330 276 S HN 0.486 nan 8.310 nan 0.000 1.627 277 F N 1.826 121.906 119.950 0.217 0.000 2.204 277 F HA 0.202 4.729 4.527 -0.000 0.000 0.276 277 F C 2.469 178.579 175.800 0.517 0.000 1.085 277 F CA 2.020 60.274 58.000 0.423 0.000 1.160 277 F CB -1.119 38.166 39.000 0.474 0.000 1.091 277 F HN 0.734 nan 8.300 nan 0.000 0.522 278 T N -1.031 113.444 114.554 -0.131 0.000 3.145 278 T HA 0.208 4.558 4.350 0.000 0.000 0.255 278 T C 0.712 175.250 174.700 -0.271 0.000 1.039 278 T CA 0.282 62.176 62.100 -0.342 0.000 0.928 278 T CB -1.578 66.984 68.868 -0.509 0.000 1.029 278 T HN 0.377 nan 8.240 nan 0.000 0.554 279 T N 0.848 115.353 114.554 -0.082 0.000 2.701 279 T HA 0.246 4.596 4.350 0.000 0.000 0.303 279 T C 0.083 174.768 174.700 -0.025 0.000 1.030 279 T CA -0.694 61.334 62.100 -0.119 0.000 1.010 279 T CB 0.063 68.819 68.868 -0.187 0.000 1.007 279 T HN 0.374 nan 8.240 nan 0.000 0.532 280 N N 0.714 119.436 118.700 0.037 0.000 2.518 280 N HA 0.537 5.277 4.740 0.000 0.000 0.283 280 N C -1.351 174.323 175.510 0.273 0.000 1.119 280 N CA -0.671 52.365 53.050 -0.023 0.000 0.983 280 N CB 0.587 39.058 38.487 -0.026 0.000 1.139 280 N HN 0.771 nan 8.380 nan 0.000 0.465 281 Y N -1.223 119.134 120.300 0.094 0.000 2.480 281 Y HA 0.496 5.046 4.550 -0.000 0.000 0.329 281 Y C -1.614 174.316 175.900 0.050 0.000 1.127 281 Y CA -1.397 56.784 58.100 0.135 0.000 1.037 281 Y CB 1.018 39.661 38.460 0.305 0.000 1.320 281 Y HN 0.482 nan 8.280 nan 0.000 0.446 282 D N -0.175 120.294 120.400 0.116 0.000 2.752 282 D HA 0.200 4.840 4.640 0.000 0.000 0.313 282 D C 0.547 176.902 176.300 0.092 0.000 1.225 282 D CA -0.714 53.155 54.000 -0.218 0.000 0.976 282 D CB 1.006 41.629 40.800 -0.295 0.000 1.443 282 D HN 0.674 nan 8.370 nan 0.000 0.515 283 E N -0.290 119.964 120.200 0.089 0.000 2.070 283 E HA -0.268 4.082 4.350 0.000 0.000 0.197 283 E C 1.890 178.508 176.600 0.029 0.000 1.004 283 E CA 1.913 58.424 56.400 0.187 0.000 0.805 283 E CB -0.311 29.468 29.700 0.132 0.000 0.744 283 E HN 0.479 nan 8.360 nan 0.000 0.451 284 A N 0.152 122.953 122.820 -0.032 0.000 1.877 284 A HA -0.201 4.119 4.320 0.000 0.000 0.216 284 A C 2.418 179.921 177.584 -0.136 0.000 1.186 284 A CA 2.201 54.193 52.037 -0.074 0.000 0.620 284 A CB -1.109 17.849 19.000 -0.070 0.000 0.822 284 A HN 0.388 nan 8.150 nan 0.000 0.443 285 T N -0.093 114.361 114.554 -0.166 0.000 2.684 285 T HA -0.156 4.194 4.350 0.000 0.000 0.267 285 T C 1.884 176.248 174.700 -0.560 0.000 1.036 285 T CA 1.705 63.584 62.100 -0.368 0.000 1.148 285 T CB -0.641 68.051 68.868 -0.295 0.000 0.863 285 T HN 0.165 nan 8.240 nan 0.000 0.436 286 V N 2.657 122.367 119.914 -0.341 0.000 2.255 286 V HA -0.233 3.887 4.120 0.000 0.000 0.247 286 V C 2.492 178.343 176.094 -0.406 0.000 1.051 286 V CA 1.773 63.791 62.300 -0.470 0.000 1.018 286 V CB -0.740 30.872 31.823 -0.351 0.000 0.641 286 V HN 0.440 nan 8.190 nan 0.000 0.445 287 N N 0.034 118.593 118.700 -0.235 0.000 2.104 287 N HA -0.175 4.565 4.740 0.000 0.000 0.190 287 N C 2.146 177.596 175.510 -0.099 0.000 1.024 287 N CA 1.827 54.785 53.050 -0.152 0.000 0.853 287 N CB -0.682 37.745 38.487 -0.100 0.000 1.008 287 N HN 0.462 nan 8.380 nan 0.000 0.424 288 S N -0.091 115.541 115.700 -0.114 0.000 2.374 288 S HA -0.093 4.377 4.470 0.000 0.000 0.227 288 S C 1.675 176.404 174.600 0.216 0.000 1.037 288 S CA 0.873 59.065 58.200 -0.012 0.000 1.024 288 S CB -0.241 62.918 63.200 -0.068 0.000 0.861 288 S HN 0.182 nan 8.310 nan 0.000 0.456 289 F N 1.328 121.275 119.950 -0.004 0.000 2.163 289 F HA 0.178 4.705 4.527 -0.000 0.000 0.297 289 F C 2.145 178.011 175.800 0.109 0.000 1.094 289 F CA 0.054 58.121 58.000 0.111 0.000 1.290 289 F CB -1.046 37.958 39.000 0.006 0.000 1.017 289 F HN 0.236 nan 8.300 nan 0.000 0.483 290 I N -0.252 120.392 120.570 0.123 0.000 2.252 290 I HA -0.252 3.918 4.170 0.000 0.000 0.245 290 I C 1.980 178.111 176.117 0.023 0.000 1.102 290 I CA 1.222 62.534 61.300 0.020 0.000 1.385 290 I CB -0.416 37.509 38.000 -0.126 0.000 1.064 290 I HN -0.022 nan 8.210 nan 0.000 0.414 291 D N 1.053 121.454 120.400 0.001 0.000 2.117 291 D HA -0.116 4.524 4.640 0.000 0.000 0.198 291 D C 2.228 178.488 176.300 -0.066 0.000 0.982 291 D CA 1.529 55.508 54.000 -0.036 0.000 0.828 291 D CB -0.610 40.158 40.800 -0.052 0.000 0.967 291 D HN 0.370 nan 8.370 nan 0.000 0.464 292 G N 1.002 109.770 108.800 -0.052 0.000 2.469 292 G HA2 -0.261 3.699 3.960 0.000 0.000 0.219 292 G HA3 -0.261 3.699 3.960 0.000 0.000 0.219 292 G C 1.574 176.293 174.900 -0.301 0.000 1.150 292 G CA 0.778 45.669 45.100 -0.349 0.000 0.763 292 G HN 0.114 nan 8.290 nan 0.000 0.561 293 M N 1.059 120.721 119.600 0.104 0.000 2.077 293 M HA 0.046 4.526 4.480 0.000 0.000 0.261 293 M C 3.110 179.424 176.300 0.022 0.000 1.070 293 M CA 1.470 56.866 55.300 0.160 0.000 1.125 293 M CB -1.412 31.298 32.600 0.184 0.000 1.339 293 M HN 0.312 nan 8.290 nan 0.000 0.409 294 A N 0.286 123.099 122.820 -0.011 0.000 1.908 294 A HA -0.191 4.129 4.320 0.000 0.000 0.218 294 A C 2.003 179.553 177.584 -0.057 0.000 1.181 294 A CA 1.892 53.908 52.037 -0.035 0.000 0.627 294 A CB -0.871 18.103 19.000 -0.042 0.000 0.818 294 A HN 0.623 nan 8.150 nan 0.000 0.445 295 E N -0.767 119.376 120.200 -0.095 0.000 2.338 295 E HA -0.118 4.232 4.350 0.000 0.000 0.197 295 E C 1.604 178.138 176.600 -0.111 0.000 1.007 295 E CA 0.696 57.029 56.400 -0.112 0.000 0.849 295 E CB -0.074 29.534 29.700 -0.154 0.000 0.774 295 E HN 0.534 nan 8.360 nan 0.000 0.506 296 R N 0.480 120.916 120.500 -0.107 0.000 2.393 296 R HA 0.141 4.481 4.340 0.000 0.000 0.244 296 R C -0.083 176.213 176.300 -0.006 0.000 0.920 296 R CA -0.099 55.962 56.100 -0.064 0.000 1.076 296 R CB 0.272 30.534 30.300 -0.064 0.000 1.119 296 R HN 0.061 nan 8.270 nan 0.000 0.524 297 N N 1.137 119.829 118.700 -0.013 0.000 2.735 297 N HA -0.177 4.563 4.740 0.000 0.000 0.248 297 N C -0.980 174.546 175.510 0.026 0.000 1.083 297 N CA 0.862 53.912 53.050 0.001 0.000 0.703 297 N CB -1.112 37.375 38.487 0.000 0.000 1.005 297 N HN 0.289 nan 8.380 nan 0.000 0.550 298 L N 0.848 122.096 121.223 0.043 0.000 2.264 298 L HA 0.398 4.738 4.340 0.000 0.000 0.287 298 L C -1.966 174.918 176.870 0.022 0.000 1.039 298 L CA -1.562 53.319 54.840 0.070 0.000 0.829 298 L CB 0.970 43.112 42.059 0.138 0.000 1.211 298 L HN -0.277 nan 8.230 nan 0.000 0.427 299 P HA 0.121 nan 4.420 nan 0.000 0.266 299 P C -0.902 176.243 177.300 -0.259 0.000 1.195 299 P CA -0.007 63.036 63.100 -0.094 0.000 0.768 299 P CB 0.840 32.570 31.700 0.050 0.000 0.838 300 L N 3.465 124.369 121.223 -0.532 0.000 2.493 300 L HA 0.296 4.636 4.340 0.000 0.000 0.265 300 L C -0.269 176.212 176.870 -0.648 0.000 0.954 300 L CA -0.387 54.171 54.840 -0.469 0.000 0.844 300 L CB 1.898 43.882 42.059 -0.126 0.000 1.302 300 L HN 0.553 nan 8.230 nan 0.000 0.405 301 H N 2.632 121.723 119.070 0.035 0.000 2.927 301 H HA 0.346 4.902 4.556 -0.000 0.000 0.255 301 H C -0.395 174.845 175.328 -0.145 0.000 0.974 301 H CA -0.006 56.033 56.048 -0.015 0.000 1.199 301 H CB 1.308 31.113 29.762 0.073 0.000 1.447 301 H HN 0.232 nan 8.280 nan 0.000 0.467 302 V N 1.021 120.843 119.914 -0.152 0.000 2.686 302 V HA 0.245 4.365 4.120 0.000 0.000 0.306 302 V C -1.479 174.501 176.094 -0.190 0.000 1.065 302 V CA -0.942 61.114 62.300 -0.406 0.000 0.894 302 V CB 2.491 33.563 31.823 -1.251 0.000 1.004 302 V HN 0.098 nan 8.190 nan 0.000 0.424 303 F N 3.428 123.233 119.950 -0.242 0.000 2.495 303 F HA 0.736 5.263 4.527 0.000 0.000 0.327 303 F C -0.379 175.359 175.800 -0.103 0.000 1.103 303 F CA -0.435 57.475 58.000 -0.151 0.000 0.949 303 F CB 1.517 40.422 39.000 -0.157 0.000 1.142 303 F HN 0.730 nan 8.300 nan 0.000 0.457 304 H N 5.167 123.618 119.070 -1.031 0.000 2.505 304 H HA 0.438 4.994 4.556 -0.000 0.000 0.338 304 H C -1.693 173.247 175.328 -0.646 0.000 1.057 304 H CA -0.793 54.929 56.048 -0.543 0.000 1.202 304 H CB 0.840 30.375 29.762 -0.378 0.000 1.466 304 H HN 0.489 nan 8.280 nan 0.000 0.499 305 F N 4.052 123.542 119.950 -0.766 0.000 2.404 305 F HA 0.172 4.699 4.527 -0.000 0.000 0.358 305 F C 0.748 176.172 175.800 -0.627 0.000 1.120 305 F CA -0.353 57.354 58.000 -0.489 0.000 1.144 305 F CB 0.595 39.447 39.000 -0.248 0.000 1.133 305 F HN 0.637 nan 8.300 nan 0.000 0.495 306 D N 1.320 121.607 120.400 -0.188 0.000 2.440 306 D HA 0.137 4.777 4.640 0.000 0.000 0.269 306 D C 1.114 177.587 176.300 0.290 0.000 1.249 306 D CA -0.461 53.638 54.000 0.165 0.000 1.055 306 D CB 0.781 41.774 40.800 0.323 0.000 1.104 306 D HN 0.567 nan 8.370 nan 0.000 0.561 307 C N -0.372 118.781 119.300 -0.246 0.000 2.401 307 C HA -0.156 4.304 4.460 0.000 0.000 0.276 307 C C 2.336 176.740 174.990 -0.978 0.000 1.233 307 C CA 0.186 58.426 59.018 -1.296 0.000 1.753 307 C CB -1.309 24.942 27.740 -2.481 0.000 2.029 307 C HN 0.482 nan 8.230 nan 0.000 0.478 308 F N 1.695 121.617 119.950 -0.046 0.000 2.788 308 F HA -0.023 4.504 4.527 0.000 0.000 0.300 308 F C 2.083 178.115 175.800 0.386 0.000 1.229 308 F CA 0.257 58.359 58.000 0.171 0.000 1.446 308 F CB -0.827 38.135 39.000 -0.065 0.000 1.118 308 F HN 0.604 nan 8.300 nan 0.000 0.579 309 W N -0.513 121.022 121.300 0.391 0.000 2.519 309 W HA 0.094 4.754 4.660 0.000 0.000 0.266 309 W C 0.034 176.635 176.519 0.138 0.000 1.253 309 W CA 0.192 57.696 57.345 0.264 0.000 1.274 309 W CB -0.570 28.733 29.460 -0.263 0.000 1.114 309 W HN -0.034 nan 8.180 nan 0.000 0.596 310 M N 1.506 120.883 119.600 -0.372 0.000 2.573 310 M HA 0.304 4.784 4.480 0.000 0.000 0.309 310 M C 0.199 176.596 176.300 0.161 0.000 1.202 310 M CA -0.677 54.463 55.300 -0.267 0.000 0.975 310 M CB 1.909 34.154 32.600 -0.590 0.000 1.600 310 M HN -0.371 nan 8.290 nan 0.000 0.479 311 K N 1.218 121.699 120.400 0.136 0.000 2.382 311 K HA 0.351 4.671 4.320 0.000 0.000 0.275 311 K C -0.154 176.382 176.600 -0.107 0.000 1.009 311 K CA -0.380 55.963 56.287 0.094 0.000 0.970 311 K CB 0.594 33.134 32.500 0.066 0.000 0.934 311 K HN 0.751 nan 8.250 nan 0.000 0.479 312 A N 2.637 125.298 122.820 -0.266 0.000 2.561 312 A HA 0.057 4.377 4.320 0.000 0.000 0.234 312 A C 0.090 177.140 177.584 -0.890 0.000 1.055 312 A CA 0.174 51.669 52.037 -0.903 0.000 0.756 312 A CB -0.610 17.898 19.000 -0.820 0.000 0.986 312 A HN 0.780 nan 8.150 nan 0.000 0.505 313 F N -1.289 118.054 119.950 -1.012 0.000 2.748 313 F HA -0.258 4.269 4.527 0.000 0.000 0.370 313 F C 1.307 176.845 175.800 -0.435 0.000 0.620 313 F CA 1.736 59.342 58.000 -0.656 0.000 1.233 313 F CB -1.910 36.849 39.000 -0.401 0.000 1.708 313 F HN 0.741 nan 8.300 nan 0.000 0.298 314 Q N -1.485 118.150 119.800 -0.274 0.000 2.194 314 Q HA 0.051 4.391 4.340 0.000 0.000 0.214 314 Q C 0.153 176.225 176.000 0.121 0.000 0.838 314 Q CA -0.329 55.460 55.803 -0.025 0.000 0.972 314 Q CB 0.372 29.124 28.738 0.025 0.000 1.131 314 Q HN 0.290 nan 8.270 nan 0.000 0.498 315 W N 0.315 121.587 121.300 -0.047 0.000 2.170 315 W HA 0.002 4.662 4.660 0.000 0.000 0.342 315 W C 0.966 177.606 176.519 0.201 0.000 1.294 315 W CA -1.468 55.893 57.345 0.026 0.000 1.246 315 W CB 0.051 29.526 29.460 0.024 0.000 1.156 315 W HN 0.110 nan 8.180 nan 0.000 0.572 316 C N 3.825 123.393 119.300 0.447 0.000 3.592 316 C HA -0.276 4.184 4.460 0.000 0.000 0.281 316 C C 1.400 176.326 174.990 -0.107 0.000 1.400 316 C CA 1.077 60.110 59.018 0.025 0.000 2.104 316 C CB -2.192 25.501 27.740 -0.079 0.000 1.369 316 C HN 0.650 nan 8.230 nan 0.000 0.597 317 D N -1.279 119.084 120.400 -0.063 0.000 2.369 317 D HA 0.092 4.732 4.640 0.000 0.000 0.211 317 D C 0.936 177.345 176.300 0.183 0.000 1.077 317 D CA -0.087 54.002 54.000 0.148 0.000 0.842 317 D CB -0.339 40.605 40.800 0.239 0.000 0.947 317 D HN 0.530 nan 8.370 nan 0.000 0.509 318 F N -0.377 119.605 119.950 0.053 0.000 2.914 318 F HA -0.207 4.320 4.527 -0.000 0.000 0.304 318 F C 0.025 175.900 175.800 0.124 0.000 0.712 318 F CA 0.542 58.585 58.000 0.072 0.000 1.211 318 F CB -1.868 37.185 39.000 0.088 0.000 1.515 318 F HN -0.004 nan 8.300 nan 0.000 0.350 319 E N 0.440 120.731 120.200 0.151 0.000 2.146 319 E HA 0.170 4.520 4.350 0.000 0.000 0.282 319 E C -0.206 176.529 176.600 0.226 0.000 0.989 319 E CA -0.667 55.888 56.400 0.259 0.000 0.799 319 E CB 0.443 30.281 29.700 0.230 0.000 1.088 319 E HN 0.192 nan 8.360 nan 0.000 0.397 320 W N 1.711 123.279 121.300 0.447 0.000 2.231 320 W HA -0.065 4.595 4.660 0.000 0.000 0.341 320 W C 1.080 177.810 176.519 0.352 0.000 1.298 320 W CA 0.167 57.809 57.345 0.496 0.000 1.266 320 W CB 0.310 30.006 29.460 0.394 0.000 1.172 320 W HN 0.314 nan 8.180 nan 0.000 0.568 321 D N 4.433 125.210 120.400 0.627 0.000 2.349 321 D HA 0.035 4.675 4.640 0.000 0.000 0.266 321 D C -1.456 175.103 176.300 0.431 0.000 1.293 321 D CA -1.705 52.569 54.000 0.457 0.000 0.926 321 D CB 1.153 42.230 40.800 0.463 0.000 1.090 321 D HN 0.017 nan 8.370 nan 0.000 0.502 322 P HA -0.088 nan 4.420 nan 0.000 0.219 322 P C 1.457 178.852 177.300 0.157 0.000 1.146 322 P CA 0.832 64.067 63.100 0.226 0.000 0.808 322 P CB 0.294 32.095 31.700 0.167 0.000 0.779 323 L N -2.077 119.221 121.223 0.126 0.000 2.162 323 L HA -0.026 4.314 4.340 0.000 0.000 0.205 323 L C 2.120 178.989 176.870 -0.001 0.000 1.086 323 L CA 1.386 56.259 54.840 0.054 0.000 0.778 323 L CB -1.185 40.896 42.059 0.037 0.000 0.928 323 L HN -0.039 nan 8.230 nan 0.000 0.446 324 T N -0.749 113.796 114.554 -0.014 0.000 2.978 324 T HA 0.049 4.399 4.350 0.000 0.000 0.262 324 T C 0.081 174.478 174.700 -0.504 0.000 1.063 324 T CA 0.854 62.796 62.100 -0.264 0.000 1.140 324 T CB 0.034 68.744 68.868 -0.263 0.000 0.886 324 T HN -0.019 nan 8.240 nan 0.000 0.470 325 F N 0.889 120.971 119.950 0.220 0.000 2.660 325 F HA 0.372 4.899 4.527 -0.000 0.000 0.352 325 F C -2.277 173.578 175.800 0.091 0.000 1.257 325 F CA -2.534 55.573 58.000 0.179 0.000 1.200 325 F CB 1.576 40.774 39.000 0.330 0.000 1.473 325 F HN -0.072 nan 8.300 nan 0.000 0.561 326 P HA -0.067 nan 4.420 nan 0.000 0.229 326 P C 0.156 177.480 177.300 0.039 0.000 1.160 326 P CA 1.180 64.335 63.100 0.092 0.000 0.777 326 P CB 0.391 32.119 31.700 0.046 0.000 0.814 327 D N -1.655 118.744 120.400 -0.002 0.000 2.735 327 D HA 0.165 4.805 4.640 0.000 0.000 0.291 327 D C -1.985 174.185 176.300 -0.216 0.000 1.205 327 D CA -2.111 51.839 54.000 -0.083 0.000 0.777 327 D CB 0.293 41.058 40.800 -0.058 0.000 1.234 327 D HN -0.152 nan 8.370 nan 0.000 0.520 328 P HA -0.147 nan 4.420 nan 0.000 0.214 328 P C 1.277 178.179 177.300 -0.664 0.000 1.163 328 P CA 1.036 63.587 63.100 -0.916 0.000 0.889 328 P CB 0.428 31.222 31.700 -1.510 0.000 0.790 329 E N -0.636 119.308 120.200 -0.428 0.000 2.051 329 E HA -0.136 4.214 4.350 0.000 0.000 0.192 329 E C 2.231 178.699 176.600 -0.221 0.000 0.991 329 E CA 1.426 57.654 56.400 -0.288 0.000 0.799 329 E CB -0.986 28.603 29.700 -0.184 0.000 0.748 329 E HN 0.124 nan 8.360 nan 0.000 0.449 330 G N 1.469 110.161 108.800 -0.179 0.000 2.446 330 G HA2 -0.351 3.609 3.960 0.000 0.000 0.217 330 G HA3 -0.351 3.609 3.960 0.000 0.000 0.217 330 G C 1.571 176.391 174.900 -0.133 0.000 1.168 330 G CA 1.079 46.101 45.100 -0.131 0.000 0.771 330 G HN 0.341 nan 8.290 nan 0.000 0.551 331 M N 0.692 120.197 119.600 -0.160 0.000 2.073 331 M HA -0.127 4.353 4.480 0.000 0.000 0.258 331 M C 2.529 178.751 176.300 -0.130 0.000 1.070 331 M CA 2.362 57.589 55.300 -0.122 0.000 1.103 331 M CB -0.271 32.265 32.600 -0.106 0.000 1.321 331 M HN 0.337 nan 8.290 nan 0.000 0.405 332 I N -1.030 119.409 120.570 -0.217 0.000 2.546 332 I HA -0.140 4.030 4.170 0.000 0.000 0.255 332 I C 2.121 178.160 176.117 -0.131 0.000 1.163 332 I CA 1.336 62.535 61.300 -0.169 0.000 1.457 332 I CB -0.504 37.352 38.000 -0.240 0.000 1.092 332 I HN 0.226 nan 8.210 nan 0.000 0.434 333 R N 0.792 121.209 120.500 -0.138 0.000 2.081 333 R HA -0.062 4.279 4.340 0.000 0.000 0.235 333 R C 2.504 178.748 176.300 -0.094 0.000 1.131 333 R CA 1.692 57.724 56.100 -0.113 0.000 0.960 333 R CB -0.350 29.885 30.300 -0.107 0.000 0.856 333 R HN 0.392 nan 8.270 nan 0.000 0.436 334 R N 0.467 120.915 120.500 -0.086 0.000 2.091 334 R HA -0.090 4.250 4.340 0.000 0.000 0.238 334 R C 2.305 178.561 176.300 -0.074 0.000 1.136 334 R CA 1.265 57.321 56.100 -0.073 0.000 0.959 334 R CB -0.338 29.924 30.300 -0.064 0.000 0.856 334 R HN 0.204 nan 8.270 nan 0.000 0.437 335 L N 0.236 121.417 121.223 -0.070 0.000 2.131 335 L HA -0.165 4.175 4.340 0.000 0.000 0.210 335 L C 2.216 179.037 176.870 -0.082 0.000 1.092 335 L CA 1.283 56.082 54.840 -0.068 0.000 0.759 335 L CB -0.230 41.813 42.059 -0.027 0.000 0.903 335 L HN 0.116 nan 8.230 nan 0.000 0.435 336 K N -0.217 120.127 120.400 -0.093 0.000 2.305 336 K HA 0.035 4.355 4.320 0.000 0.000 0.199 336 K C 2.129 178.667 176.600 -0.104 0.000 1.047 336 K CA 0.761 56.979 56.287 -0.114 0.000 0.976 336 K CB 0.068 32.489 32.500 -0.131 0.000 0.765 336 K HN 0.221 nan 8.250 nan 0.000 0.474 337 A N 1.169 123.936 122.820 -0.088 0.000 1.930 337 A HA -0.138 4.182 4.320 0.000 0.000 0.217 337 A C 1.356 178.896 177.584 -0.073 0.000 1.175 337 A CA 1.291 53.282 52.037 -0.078 0.000 0.627 337 A CB -0.225 18.734 19.000 -0.069 0.000 0.815 337 A HN 0.161 nan 8.150 nan 0.000 0.443 338 K N -0.382 119.973 120.400 -0.074 0.000 2.773 338 K HA 0.165 4.485 4.320 0.000 0.000 0.222 338 K C 1.135 177.691 176.600 -0.074 0.000 0.985 338 K CA 0.393 56.638 56.287 -0.070 0.000 1.126 338 K CB -0.719 31.738 32.500 -0.072 0.000 0.919 338 K HN 0.666 nan 8.250 nan 0.000 0.487 339 G N 0.906 109.657 108.800 -0.082 0.000 2.270 339 G HA2 -0.325 3.635 3.960 0.000 0.000 0.268 339 G HA3 -0.325 3.635 3.960 0.000 0.000 0.268 339 G C 0.264 175.098 174.900 -0.110 0.000 0.982 339 G CA 0.186 45.235 45.100 -0.085 0.000 0.628 339 G HN 0.305 nan 8.290 nan 0.000 0.544 340 L N 0.698 121.852 121.223 -0.116 0.000 2.461 340 L HA 0.318 4.658 4.340 0.000 0.000 0.272 340 L C 0.871 177.592 176.870 -0.248 0.000 1.197 340 L CA -0.200 54.555 54.840 -0.143 0.000 0.836 340 L CB 0.459 42.461 42.059 -0.095 0.000 1.105 340 L HN -0.022 nan 8.230 nan 0.000 0.477 341 K N 2.891 123.074 120.400 -0.362 0.000 2.098 341 K HA 0.544 4.864 4.320 0.000 0.000 0.261 341 K C -0.769 175.617 176.600 -0.357 0.000 0.987 341 K CA -0.571 55.386 56.287 -0.550 0.000 0.916 341 K CB 1.765 33.612 32.500 -1.088 0.000 1.039 341 K HN 0.265 nan 8.250 nan 0.000 0.455 342 I N 0.827 121.214 120.570 -0.306 0.000 2.433 342 I HA 0.189 4.359 4.170 0.000 0.000 0.292 342 I C -0.377 175.646 176.117 -0.158 0.000 1.001 342 I CA -0.488 60.735 61.300 -0.129 0.000 1.119 342 I CB 1.740 39.718 38.000 -0.035 0.000 1.289 342 I HN 0.502 nan 8.210 nan 0.000 0.438 343 C N 7.186 126.458 119.300 -0.047 0.000 2.493 343 C HA 0.909 5.369 4.460 0.000 0.000 0.326 343 C C -0.418 174.644 174.990 0.120 0.000 1.200 343 C CA -0.389 58.651 59.018 0.036 0.000 1.739 343 C CB 0.868 28.733 27.740 0.209 0.000 2.300 343 C HN 0.693 nan 8.230 nan 0.000 0.500 344 V N 2.895 122.856 119.914 0.078 0.000 2.823 344 V HA 0.670 4.790 4.120 0.000 0.000 0.312 344 V C -0.713 175.678 176.094 0.495 0.000 1.072 344 V CA -0.873 61.454 62.300 0.046 0.000 0.937 344 V CB 1.410 32.954 31.823 -0.465 0.000 1.013 344 V HN 1.098 nan 8.190 nan 0.000 0.430 345 W N 5.857 127.425 121.300 0.447 0.000 2.210 345 W HA 0.641 5.301 4.660 -0.000 0.000 0.330 345 W C -0.150 176.695 176.519 0.544 0.000 1.334 345 W CA 0.113 57.777 57.345 0.531 0.000 1.227 345 W CB 0.644 30.337 29.460 0.388 0.000 1.178 345 W HN 0.876 nan 8.180 nan 0.000 0.560 346 I N 4.289 124.693 120.570 -0.278 0.000 3.174 346 I HA 0.667 4.837 4.170 0.000 0.000 0.313 346 I C -0.978 174.530 176.117 -1.015 0.000 1.155 346 I CA -1.212 59.779 61.300 -0.515 0.000 0.977 346 I CB 2.290 40.314 38.000 0.040 0.000 1.248 346 I HN 0.615 nan 8.210 nan 0.000 0.453 347 N N 1.419 119.758 118.700 -0.602 0.000 3.106 347 N HA 0.519 5.259 4.740 0.000 0.000 0.253 347 N C -3.000 172.440 175.510 -0.117 0.000 1.506 347 N CA -1.639 51.203 53.050 -0.347 0.000 0.876 347 N CB 1.519 39.728 38.487 -0.463 0.000 1.452 347 N HN 0.439 nan 8.380 nan 0.000 0.542 348 P HA 0.330 nan 4.420 nan 0.000 0.250 348 P C -1.297 176.195 177.300 0.321 0.000 1.808 348 P CA 0.161 63.206 63.100 -0.091 0.000 1.117 348 P CB -0.439 30.956 31.700 -0.508 0.000 1.602 349 Y N -0.166 120.344 120.300 0.351 0.000 2.576 349 Y HA 0.611 5.161 4.550 0.000 0.000 0.346 349 Y C 0.119 176.173 175.900 0.257 0.000 1.018 349 Y CA -2.467 55.764 58.100 0.218 0.000 1.050 349 Y CB 1.754 40.353 38.460 0.233 0.000 1.280 349 Y HN -0.182 nan 8.280 nan 0.000 0.474 350 I N 0.786 121.528 120.570 0.286 0.000 2.607 350 I HA 0.700 4.870 4.170 0.000 0.000 0.290 350 I C -0.174 176.139 176.117 0.326 0.000 1.129 350 I CA -0.590 60.877 61.300 0.279 0.000 1.042 350 I CB 1.738 39.792 38.000 0.091 0.000 1.242 350 I HN 0.763 nan 8.210 nan 0.000 0.421 351 G N 4.623 113.578 108.800 0.259 0.000 2.442 351 G HA2 0.088 4.048 3.960 0.000 0.000 0.249 351 G HA3 0.088 4.048 3.960 0.000 0.000 0.249 351 G C 0.330 175.223 174.900 -0.011 0.000 1.263 351 G CA -0.214 44.952 45.100 0.109 0.000 0.846 351 G HN 0.866 nan 8.290 nan 0.000 0.555 352 Q N 1.522 121.096 119.800 -0.377 0.000 2.234 352 Q HA -0.161 4.179 4.340 0.000 0.000 0.206 352 Q C 2.254 177.956 176.000 -0.498 0.000 0.980 352 Q CA 1.549 56.720 55.803 -1.053 0.000 0.869 352 Q CB -0.064 28.020 28.738 -1.089 0.000 0.912 352 Q HN 0.728 nan 8.270 nan 0.000 0.436 353 K N 0.433 120.679 120.400 -0.257 0.000 2.113 353 K HA -0.112 4.208 4.320 0.000 0.000 0.208 353 K C 0.690 177.272 176.600 -0.030 0.000 1.047 353 K CA 0.870 57.080 56.287 -0.129 0.000 0.928 353 K CB -0.230 32.227 32.500 -0.072 0.000 0.716 353 K HN 0.079 nan 8.250 nan 0.000 0.446 354 S N 1.007 116.727 115.700 0.033 0.000 2.563 354 S HA 0.015 4.485 4.470 0.000 0.000 0.294 354 S C -1.893 172.795 174.600 0.146 0.000 1.279 354 S CA -1.166 57.104 58.200 0.118 0.000 1.069 354 S CB 0.850 64.166 63.200 0.193 0.000 0.828 354 S HN 0.085 nan 8.310 nan 0.000 0.497 355 P HA -0.073 nan 4.420 nan 0.000 0.221 355 P C 1.222 178.634 177.300 0.186 0.000 1.145 355 P CA 0.563 63.749 63.100 0.143 0.000 0.795 355 P CB 0.094 31.875 31.700 0.134 0.000 0.775 356 V N -1.550 118.506 119.914 0.237 0.000 2.719 356 V HA -0.177 3.943 4.120 0.000 0.000 0.252 356 V C 2.000 178.213 176.094 0.199 0.000 1.065 356 V CA 1.085 63.552 62.300 0.278 0.000 1.086 356 V CB -1.216 30.853 31.823 0.411 0.000 0.700 356 V HN 0.040 nan 8.190 nan 0.000 0.467 357 F N 1.561 121.538 119.950 0.045 0.000 2.091 357 F HA -0.267 4.260 4.527 -0.000 0.000 0.299 357 F C 2.470 178.238 175.800 -0.054 0.000 1.103 357 F CA 2.392 60.375 58.000 -0.028 0.000 1.228 357 F CB -0.192 38.794 39.000 -0.023 0.000 0.984 357 F HN 0.006 nan 8.300 nan 0.000 0.477 358 K N 0.277 120.829 120.400 0.252 0.000 2.103 358 K HA -0.265 4.055 4.320 0.000 0.000 0.207 358 K C 2.255 178.845 176.600 -0.017 0.000 1.048 358 K CA 1.785 58.147 56.287 0.124 0.000 0.930 358 K CB -0.385 32.187 32.500 0.119 0.000 0.716 358 K HN 0.475 nan 8.250 nan 0.000 0.444 359 E N 0.592 120.782 120.200 -0.017 0.000 2.077 359 E HA -0.187 4.163 4.350 0.000 0.000 0.193 359 E C 2.085 178.526 176.600 -0.264 0.000 0.989 359 E CA 0.947 57.303 56.400 -0.073 0.000 0.800 359 E CB -0.006 29.723 29.700 0.047 0.000 0.746 359 E HN 0.323 nan 8.360 nan 0.000 0.452 360 L N 0.593 121.608 121.223 -0.346 0.000 2.093 360 L HA -0.178 4.162 4.340 0.000 0.000 0.208 360 L C 2.907 179.498 176.870 -0.465 0.000 1.085 360 L CA 1.270 55.797 54.840 -0.523 0.000 0.755 360 L CB -0.404 41.328 42.059 -0.546 0.000 0.904 360 L HN 0.263 nan 8.230 nan 0.000 0.435 361 Q N 0.344 119.894 119.800 -0.417 0.000 2.079 361 Q HA -0.228 4.112 4.340 0.000 0.000 0.200 361 Q C 2.014 177.885 176.000 -0.213 0.000 0.974 361 Q CA 1.574 57.187 55.803 -0.316 0.000 0.840 361 Q CB 0.090 28.675 28.738 -0.253 0.000 0.898 361 Q HN 0.508 nan 8.270 nan 0.000 0.430 362 E N 0.258 120.343 120.200 -0.191 0.000 2.077 362 E HA -0.185 4.165 4.350 0.000 0.000 0.193 362 E C 1.868 178.347 176.600 -0.201 0.000 0.989 362 E CA 1.227 57.539 56.400 -0.147 0.000 0.800 362 E CB 0.113 29.749 29.700 -0.107 0.000 0.746 362 E HN 0.255 nan 8.360 nan 0.000 0.452 363 K N -0.894 119.284 120.400 -0.369 0.000 2.365 363 K HA 0.045 4.365 4.320 0.000 0.000 0.197 363 K C 0.862 177.213 176.600 -0.415 0.000 1.042 363 K CA 0.523 56.487 56.287 -0.539 0.000 0.987 363 K CB 0.589 32.400 32.500 -1.150 0.000 0.779 363 K HN 0.235 nan 8.250 nan 0.000 0.484 364 G N 0.922 109.552 108.800 -0.283 0.000 2.165 364 G HA2 -0.218 3.742 3.960 0.000 0.000 0.226 364 G HA3 -0.218 3.742 3.960 0.000 0.000 0.226 364 G C 0.036 175.014 174.900 0.130 0.000 1.035 364 G CA -0.275 44.800 45.100 -0.042 0.000 0.744 364 G HN 0.215 nan 8.290 nan 0.000 0.501 365 Y N -0.509 119.697 120.300 -0.157 0.000 2.457 365 Y HA 0.449 4.999 4.550 -0.000 0.000 0.263 365 Y C 1.647 177.454 175.900 -0.155 0.000 1.164 365 Y CA -0.685 57.326 58.100 -0.149 0.000 1.274 365 Y CB 0.147 38.484 38.460 -0.205 0.000 1.097 365 Y HN 0.328 nan 8.280 nan 0.000 0.523 366 L N 0.284 121.467 121.223 -0.068 0.000 2.334 366 L HA 0.329 4.669 4.340 0.000 0.000 0.275 366 L C -0.308 176.485 176.870 -0.128 0.000 1.036 366 L CA -1.324 53.409 54.840 -0.178 0.000 0.807 366 L CB 1.400 43.257 42.059 -0.335 0.000 1.231 366 L HN -0.185 nan 8.230 nan 0.000 0.438 367 L N 2.903 124.017 121.223 -0.181 0.000 2.513 367 L HA 0.091 4.431 4.340 0.000 0.000 0.272 367 L C -0.148 176.612 176.870 -0.182 0.000 1.187 367 L CA 0.748 55.418 54.840 -0.284 0.000 0.895 367 L CB -0.135 41.603 42.059 -0.535 0.000 1.147 367 L HN 0.471 nan 8.230 nan 0.000 0.483 368 K N 4.678 124.976 120.400 -0.171 0.000 2.166 368 K HA 0.543 4.863 4.320 0.000 0.000 0.245 368 K C -0.273 176.274 176.600 -0.087 0.000 0.967 368 K CA -0.861 55.378 56.287 -0.081 0.000 0.863 368 K CB 1.391 33.865 32.500 -0.044 0.000 1.107 368 K HN 0.557 nan 8.250 nan 0.000 0.436 369 R N 1.010 121.503 120.500 -0.011 0.000 2.637 369 R HA 0.095 4.435 4.340 0.000 0.000 0.269 369 R C -1.761 174.529 176.300 -0.015 0.000 1.089 369 R CA -1.689 54.413 56.100 0.003 0.000 1.177 369 R CB 0.026 30.349 30.300 0.038 0.000 1.091 369 R HN 0.346 nan 8.270 nan 0.000 0.540 370 P HA -0.170 nan 4.420 nan 0.000 0.221 370 P C 0.285 177.585 177.300 0.000 0.000 1.145 370 P CA 1.247 64.345 63.100 -0.003 0.000 0.795 370 P CB 0.071 31.776 31.700 0.008 0.000 0.775 371 D N -1.761 118.640 120.400 0.002 0.000 2.363 371 D HA 0.029 4.669 4.640 0.000 0.000 0.226 371 D C 1.510 177.809 176.300 -0.000 0.000 1.020 371 D CA 0.883 54.884 54.000 0.002 0.000 0.892 371 D CB -0.844 39.958 40.800 0.002 0.000 0.900 371 D HN 0.238 nan 8.370 nan 0.000 0.531 372 G N -0.029 108.769 108.800 -0.002 0.000 2.234 372 G HA2 -0.286 3.674 3.960 0.000 0.000 0.235 372 G HA3 -0.286 3.674 3.960 0.000 0.000 0.235 372 G C 0.499 175.396 174.900 -0.005 0.000 0.997 372 G CA 0.427 45.526 45.100 -0.002 0.000 0.623 372 G HN 0.847 nan 8.290 nan 0.000 0.514 373 S N 0.362 116.059 115.700 -0.006 0.000 2.617 373 S HA 0.683 5.153 4.470 0.000 0.000 0.259 373 S C 0.586 175.181 174.600 -0.008 0.000 1.301 373 S CA -0.599 57.596 58.200 -0.008 0.000 0.984 373 S CB 1.087 64.280 63.200 -0.011 0.000 0.954 373 S HN 0.701 nan 8.310 nan 0.000 0.572 374 L N 0.887 122.105 121.223 -0.008 0.000 2.349 374 L HA 0.260 4.600 4.340 0.000 0.000 0.275 374 L C -0.018 176.861 176.870 0.015 0.000 1.115 374 L CA -0.634 54.205 54.840 -0.001 0.000 0.820 374 L CB 0.372 42.438 42.059 0.012 0.000 1.135 374 L HN 0.832 nan 8.230 nan 0.000 0.445 375 W N 4.788 125.998 121.300 -0.149 0.000 2.381 375 W HA 0.164 4.824 4.660 -0.000 0.000 0.321 375 W C -0.235 176.197 176.519 -0.144 0.000 1.407 375 W CA 0.154 57.393 57.345 -0.176 0.000 1.274 375 W CB 0.300 29.593 29.460 -0.278 0.000 1.310 375 W HN 0.456 nan 8.180 nan 0.000 0.551 376 Q N 5.465 124.840 119.800 -0.707 0.000 2.421 376 Q HA 0.433 4.773 4.340 0.000 0.000 0.280 376 Q C -0.895 174.579 176.000 -0.877 0.000 1.085 376 Q CA -0.900 54.556 55.803 -0.578 0.000 0.807 376 Q CB 2.510 31.127 28.738 -0.201 0.000 1.405 376 Q HN 0.546 nan 8.270 nan 0.000 0.419 377 W N 0.064 120.956 121.300 -0.680 0.000 3.018 377 W HA 0.506 5.166 4.660 -0.000 0.000 0.382 377 W C -1.015 175.386 176.519 -0.196 0.000 1.161 377 W CA -0.942 56.143 57.345 -0.433 0.000 1.144 377 W CB -0.097 29.123 29.460 -0.400 0.000 1.499 377 W HN 0.476 nan 8.180 nan 0.000 0.596 378 D N 0.365 120.759 120.400 -0.010 0.000 2.440 378 D HA 0.080 4.720 4.640 0.000 0.000 0.216 378 D C 0.027 176.195 176.300 -0.220 0.000 1.150 378 D CA 0.127 54.063 54.000 -0.107 0.000 0.832 378 D CB 0.547 41.274 40.800 -0.121 0.000 0.992 378 D HN 0.072 nan 8.370 nan 0.000 0.502 379 K N 0.458 120.500 120.400 -0.596 0.000 2.270 379 K HA -0.007 4.313 4.320 0.000 0.000 0.276 379 K C 0.905 177.569 176.600 0.107 0.000 1.023 379 K CA -0.404 55.625 56.287 -0.429 0.000 0.955 379 K CB 1.775 33.697 32.500 -0.963 0.000 0.975 379 K HN 0.198 nan 8.250 nan 0.000 0.471 380 W N 0.451 121.780 121.300 0.049 0.000 0.513 380 W HA -0.341 4.319 4.660 -0.000 0.000 0.215 380 W C -0.802 175.817 176.519 0.166 0.000 0.928 380 W CA 1.635 59.098 57.345 0.196 0.000 0.473 380 W CB -0.549 29.051 29.460 0.234 0.000 1.889 380 W HN 0.571 nan 8.180 nan 0.000 0.736 381 Q N 0.636 120.486 119.800 0.084 0.000 2.394 381 Q HA 0.441 4.781 4.340 0.000 0.000 0.273 381 Q C -2.290 173.696 176.000 -0.024 0.000 1.089 381 Q CA -1.810 53.951 55.803 -0.070 0.000 0.812 381 Q CB 1.446 30.177 28.738 -0.011 0.000 1.353 381 Q HN -0.107 nan 8.270 nan 0.000 0.438 382 P HA 0.064 nan 4.420 nan 0.000 0.267 382 P C 0.437 177.646 177.300 -0.152 0.000 1.205 382 P CA 0.683 63.668 63.100 -0.192 0.000 0.765 382 P CB 0.318 31.793 31.700 -0.375 0.000 0.828 383 G N 2.594 111.320 108.800 -0.123 0.000 2.249 383 G HA2 -0.288 3.672 3.960 0.000 0.000 0.273 383 G HA3 -0.288 3.672 3.960 0.000 0.000 0.273 383 G C -0.019 174.872 174.900 -0.015 0.000 1.036 383 G CA -0.145 44.870 45.100 -0.142 0.000 0.824 383 G HN 0.619 nan 8.290 nan 0.000 0.504 384 L N 0.205 121.499 121.223 0.119 0.000 2.499 384 L HA 0.550 4.890 4.340 0.000 0.000 0.273 384 L C 0.696 177.718 176.870 0.253 0.000 1.195 384 L CA 0.488 55.476 54.840 0.247 0.000 0.882 384 L CB 0.522 42.807 42.059 0.377 0.000 1.133 384 L HN 0.604 nan 8.230 nan 0.000 0.483 385 A N 6.271 129.268 122.820 0.294 0.000 2.346 385 A HA 0.799 5.119 4.320 0.000 0.000 0.313 385 A C -0.794 176.817 177.584 0.044 0.000 1.140 385 A CA -0.754 51.385 52.037 0.168 0.000 0.826 385 A CB 1.101 20.128 19.000 0.045 0.000 1.332 385 A HN 0.701 nan 8.150 nan 0.000 0.457 386 I N 0.404 120.938 120.570 -0.060 0.000 2.433 386 I HA 0.255 4.425 4.170 0.000 0.000 0.292 386 I C -1.213 174.799 176.117 -0.175 0.000 1.001 386 I CA -0.472 60.786 61.300 -0.070 0.000 1.119 386 I CB 1.601 39.462 38.000 -0.231 0.000 1.289 386 I HN 0.638 nan 8.210 nan 0.000 0.438 387 Y N 3.539 123.750 120.300 -0.148 0.000 2.569 387 Y HA -0.024 4.526 4.550 0.000 0.000 0.332 387 Y C 0.749 176.391 175.900 -0.430 0.000 1.120 387 Y CA 0.050 57.926 58.100 -0.373 0.000 1.416 387 Y CB 0.161 38.211 38.460 -0.684 0.000 1.210 387 Y HN 0.432 nan 8.280 nan 0.000 0.528 388 D N 4.596 124.971 120.400 -0.042 0.000 2.435 388 D HA 0.028 4.668 4.640 0.000 0.000 0.230 388 D C 0.030 176.450 176.300 0.201 0.000 1.215 388 D CA 0.109 54.217 54.000 0.181 0.000 0.947 388 D CB -0.259 40.643 40.800 0.171 0.000 1.048 388 D HN 0.535 nan 8.370 nan 0.000 0.512 389 F N 1.069 121.212 119.950 0.320 0.000 2.816 389 F HA -0.046 4.481 4.527 0.000 0.000 0.302 389 F C 2.344 178.179 175.800 0.058 0.000 1.178 389 F CA 0.193 58.225 58.000 0.054 0.000 1.421 389 F CB 0.231 39.125 39.000 -0.177 0.000 1.114 389 F HN 0.320 nan 8.300 nan 0.000 0.573 390 T N -3.590 111.174 114.554 0.350 0.000 3.107 390 T HA -0.010 4.340 4.350 0.000 0.000 0.249 390 T C 0.622 175.478 174.700 0.259 0.000 1.096 390 T CA -0.204 62.068 62.100 0.287 0.000 1.012 390 T CB -0.295 68.783 68.868 0.349 0.000 0.977 390 T HN -0.002 nan 8.240 nan 0.000 0.527 391 N N 2.753 121.506 118.700 0.088 0.000 2.439 391 N HA 0.258 4.998 4.740 0.000 0.000 0.249 391 N C -1.735 173.605 175.510 -0.283 0.000 1.003 391 N CA -2.502 50.299 53.050 -0.415 0.000 0.942 391 N CB 2.030 40.181 38.487 -0.559 0.000 1.115 391 N HN -0.009 nan 8.380 nan 0.000 0.505 392 P HA -0.108 nan 4.420 nan 0.000 0.216 392 P C 0.278 177.473 177.300 -0.174 0.000 1.150 392 P CA 1.177 64.204 63.100 -0.121 0.000 0.837 392 P CB 0.538 32.208 31.700 -0.049 0.000 0.786 393 D N -0.348 119.875 120.400 -0.295 0.000 2.224 393 D HA -0.018 4.622 4.640 0.000 0.000 0.205 393 D C 2.052 177.922 176.300 -0.716 0.000 0.965 393 D CA 1.112 54.902 54.000 -0.349 0.000 0.852 393 D CB -0.396 40.283 40.800 -0.201 0.000 0.947 393 D HN 0.120 nan 8.370 nan 0.000 0.494 394 A N 0.461 122.797 122.820 -0.806 0.000 1.897 394 A HA -0.136 4.184 4.320 0.000 0.000 0.215 394 A C 2.510 180.086 177.584 -0.013 0.000 1.181 394 A CA 0.842 52.485 52.037 -0.657 0.000 0.620 394 A CB -0.869 17.969 19.000 -0.270 0.000 0.821 394 A HN 0.293 nan 8.150 nan 0.000 0.443 395 C N -0.486 118.833 119.300 0.031 0.000 2.398 395 C HA -0.122 4.338 4.460 0.000 0.000 0.276 395 C C 2.733 177.763 174.990 0.067 0.000 1.222 395 C CA 1.522 60.593 59.018 0.089 0.000 1.746 395 C CB -0.892 26.839 27.740 -0.016 0.000 2.039 395 C HN 0.689 nan 8.230 nan 0.000 0.470 396 K N -1.038 119.371 120.400 0.016 0.000 2.057 396 K HA -0.209 4.111 4.320 0.000 0.000 0.206 396 K C 2.031 178.682 176.600 0.086 0.000 1.050 396 K CA 1.658 57.958 56.287 0.022 0.000 0.935 396 K CB -0.349 32.157 32.500 0.009 0.000 0.715 396 K HN 0.709 nan 8.250 nan 0.000 0.439 397 W N 0.524 121.801 121.300 -0.037 0.000 2.335 397 W HA -0.282 4.378 4.660 0.000 0.000 0.311 397 W C 2.010 178.558 176.519 0.047 0.000 1.213 397 W CA 1.926 59.310 57.345 0.066 0.000 1.274 397 W CB -0.426 29.152 29.460 0.195 0.000 1.148 397 W HN 0.181 nan 8.180 nan 0.000 0.498 398 Y N 0.476 120.949 120.300 0.287 0.000 2.220 398 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 398 Y C 2.396 178.128 175.900 -0.279 0.000 1.129 398 Y CA 2.432 60.574 58.100 0.070 0.000 1.161 398 Y CB -0.851 37.746 38.460 0.228 0.000 0.997 398 Y HN -0.029 nan 8.280 nan 0.000 0.522 399 A N 0.188 123.016 122.820 0.013 0.000 1.908 399 A HA -0.233 4.087 4.320 0.000 0.000 0.218 399 A C 1.830 179.256 177.584 -0.264 0.000 1.181 399 A CA 2.188 54.142 52.037 -0.139 0.000 0.627 399 A CB -0.866 18.076 19.000 -0.097 0.000 0.818 399 A HN 0.523 nan 8.150 nan 0.000 0.445 400 D N -0.272 119.967 120.400 -0.268 0.000 2.144 400 D HA -0.100 4.540 4.640 0.000 0.000 0.199 400 D C 1.951 177.990 176.300 -0.436 0.000 0.984 400 D CA 0.998 54.820 54.000 -0.297 0.000 0.834 400 D CB -0.131 40.505 40.800 -0.273 0.000 0.955 400 D HN 0.239 nan 8.370 nan 0.000 0.465 401 K N 0.387 120.366 120.400 -0.702 0.000 2.063 401 K HA -0.070 4.250 4.320 0.000 0.000 0.208 401 K C 2.344 178.476 176.600 -0.780 0.000 1.048 401 K CA 0.493 56.234 56.287 -0.910 0.000 0.928 401 K CB -0.596 30.931 32.500 -1.622 0.000 0.713 401 K HN 0.272 nan 8.250 nan 0.000 0.442 402 L N 0.991 121.738 121.223 -0.793 0.000 2.056 402 L HA -0.163 4.177 4.340 0.000 0.000 0.207 402 L C 2.456 179.226 176.870 -0.166 0.000 1.078 402 L CA 1.272 55.780 54.840 -0.554 0.000 0.749 402 L CB -0.396 41.266 42.059 -0.661 0.000 0.901 402 L HN 0.151 nan 8.230 nan 0.000 0.433 403 K N 0.184 120.473 120.400 -0.186 0.000 2.074 403 K HA -0.179 4.141 4.320 0.000 0.000 0.209 403 K C 2.131 178.683 176.600 -0.080 0.000 1.048 403 K CA 1.438 57.666 56.287 -0.099 0.000 0.926 403 K CB -0.603 31.825 32.500 -0.119 0.000 0.713 403 K HN 0.445 nan 8.250 nan 0.000 0.444 404 G N 1.592 110.317 108.800 -0.125 0.000 2.469 404 G HA2 -0.248 3.712 3.960 0.000 0.000 0.219 404 G HA3 -0.248 3.712 3.960 0.000 0.000 0.219 404 G C 1.498 176.396 174.900 -0.003 0.000 1.150 404 G CA 0.743 45.799 45.100 -0.073 0.000 0.763 404 G HN 0.122 nan 8.290 nan 0.000 0.561 405 L N 0.106 121.351 121.223 0.038 0.000 2.056 405 L HA -0.053 4.287 4.340 0.000 0.000 0.207 405 L C 3.002 179.904 176.870 0.053 0.000 1.078 405 L CA 0.386 55.295 54.840 0.115 0.000 0.749 405 L CB -0.510 41.707 42.059 0.263 0.000 0.901 405 L HN 0.089 nan 8.230 nan 0.000 0.433 406 V N 0.317 120.275 119.914 0.072 0.000 2.407 406 V HA -0.282 3.838 4.120 0.000 0.000 0.248 406 V C 2.732 178.797 176.094 -0.047 0.000 1.055 406 V CA 1.762 64.054 62.300 -0.014 0.000 1.049 406 V CB -0.969 30.860 31.823 0.010 0.000 0.662 406 V HN 0.485 nan 8.190 nan 0.000 0.455 407 A N -1.156 121.643 122.820 -0.036 0.000 2.070 407 A HA -0.150 4.170 4.320 0.000 0.000 0.220 407 A C 2.176 179.725 177.584 -0.059 0.000 1.159 407 A CA 1.825 53.834 52.037 -0.048 0.000 0.656 407 A CB -0.478 18.496 19.000 -0.043 0.000 0.800 407 A HN 0.514 nan 8.150 nan 0.000 0.453 408 M N -1.834 117.731 119.600 -0.058 0.000 2.556 408 M HA 0.175 4.655 4.480 0.000 0.000 0.245 408 M C 1.195 177.424 176.300 -0.119 0.000 1.128 408 M CA 0.960 56.210 55.300 -0.084 0.000 1.069 408 M CB 0.421 32.984 32.600 -0.061 0.000 1.469 408 M HN 0.606 nan 8.290 nan 0.000 0.494 409 G N 0.275 109.006 108.800 -0.115 0.000 2.168 409 G HA2 -0.167 3.793 3.960 0.000 0.000 0.197 409 G HA3 -0.167 3.793 3.960 0.000 0.000 0.197 409 G C -0.098 174.698 174.900 -0.173 0.000 0.997 409 G CA -0.200 44.815 45.100 -0.141 0.000 0.658 409 G HN 0.257 nan 8.290 nan 0.000 0.513 410 V N 1.554 121.360 119.914 -0.179 0.000 2.637 410 V HA 0.233 4.353 4.120 0.000 0.000 0.296 410 V C 1.112 177.018 176.094 -0.313 0.000 1.046 410 V CA 0.751 62.894 62.300 -0.261 0.000 1.066 410 V CB 1.378 33.018 31.823 -0.305 0.000 0.968 410 V HN 0.334 nan 8.190 nan 0.000 0.483 411 D N 2.175 122.379 120.400 -0.326 0.000 2.338 411 D HA 0.128 4.768 4.640 0.000 0.000 0.208 411 D C 0.415 176.586 176.300 -0.214 0.000 0.997 411 D CA 0.842 54.685 54.000 -0.261 0.000 0.880 411 D CB 0.747 41.345 40.800 -0.337 0.000 0.980 411 D HN 0.751 nan 8.370 nan 0.000 0.509 412 C N -1.382 117.703 119.300 -0.358 0.000 3.306 412 C HA 0.727 5.187 4.460 0.000 0.000 0.335 412 C C -1.431 173.260 174.990 -0.499 0.000 1.382 412 C CA -1.388 57.467 59.018 -0.272 0.000 1.254 412 C CB 0.638 28.480 27.740 0.170 0.000 1.555 412 C HN -0.040 nan 8.230 nan 0.000 0.463 413 F N 0.704 120.743 119.950 0.149 0.000 2.563 413 F HA 0.636 5.163 4.527 0.000 0.000 0.316 413 F C 0.231 176.118 175.800 0.143 0.000 1.076 413 F CA -0.619 57.462 58.000 0.135 0.000 0.921 413 F CB 1.718 40.768 39.000 0.082 0.000 1.209 413 F HN 0.739 nan 8.300 nan 0.000 0.462 414 K N 1.929 122.524 120.400 0.326 0.000 2.268 414 K HA 0.251 4.571 4.320 0.000 0.000 0.276 414 K C -0.544 176.118 176.600 0.104 0.000 1.080 414 K CA -0.355 56.021 56.287 0.149 0.000 0.910 414 K CB 0.529 33.000 32.500 -0.049 0.000 1.163 414 K HN 0.749 nan 8.250 nan 0.000 0.465 415 T N 1.153 115.766 114.554 0.099 0.000 3.176 415 T HA 0.099 4.449 4.350 0.000 0.000 0.301 415 T C -0.080 174.716 174.700 0.161 0.000 1.115 415 T CA -0.882 61.234 62.100 0.028 0.000 1.027 415 T CB 0.293 68.962 68.868 -0.332 0.000 1.063 415 T HN 0.409 nan 8.240 nan 0.000 0.669 416 D N 1.465 121.943 120.400 0.130 0.000 2.312 416 D HA 0.516 5.156 4.640 0.000 0.000 0.248 416 D C 0.566 177.019 176.300 0.256 0.000 1.086 416 D CA -0.705 53.411 54.000 0.193 0.000 0.948 416 D CB 0.227 41.181 40.800 0.257 0.000 1.162 416 D HN 0.436 nan 8.370 nan 0.000 0.446 417 F N 0.008 119.940 119.950 -0.030 0.000 2.183 417 F HA -0.159 4.368 4.527 0.000 0.000 0.318 417 F C 1.788 177.616 175.800 0.047 0.000 0.129 417 F CA 1.217 59.184 58.000 -0.056 0.000 0.912 417 F CB -1.442 37.404 39.000 -0.256 0.000 4.135 417 F HN 0.595 nan 8.300 nan 0.000 0.137 418 G N -1.056 107.891 108.800 0.245 0.000 2.176 418 G HA2 -0.197 3.763 3.960 0.000 0.000 0.232 418 G HA3 -0.197 3.763 3.960 0.000 0.000 0.232 418 G C 0.642 175.701 174.900 0.266 0.000 0.986 418 G CA 0.752 46.035 45.100 0.306 0.000 0.643 418 G HN 1.005 nan 8.290 nan 0.000 0.522 419 E N 0.785 121.145 120.200 0.268 0.000 2.102 419 E HA 0.089 4.439 4.350 0.000 0.000 0.190 419 E C 1.481 178.085 176.600 0.007 0.000 0.971 419 E CA 0.226 56.693 56.400 0.112 0.000 0.821 419 E CB -0.375 29.423 29.700 0.162 0.000 0.777 419 E HN 0.470 nan 8.360 nan 0.000 0.460 420 R N 1.565 122.192 120.500 0.212 0.000 3.710 420 R HA 0.221 4.561 4.340 0.000 0.000 0.201 420 R C -0.374 175.874 176.300 -0.086 0.000 1.641 420 R CA -0.208 56.015 56.100 0.205 0.000 1.390 420 R CB -0.096 30.481 30.300 0.462 0.000 1.341 420 R HN 0.091 nan 8.270 nan 0.000 0.728 421 I N 4.126 124.569 120.570 -0.212 0.000 2.325 421 I HA 0.205 4.375 4.170 0.000 0.000 0.291 421 I C -1.672 174.344 176.117 -0.168 0.000 1.019 421 I CA -3.429 57.669 61.300 -0.337 0.000 1.302 421 I CB 0.687 38.478 38.000 -0.347 0.000 1.401 421 I HN 0.120 nan 8.210 nan 0.000 0.485 422 P HA 0.125 nan 4.420 nan 0.000 0.272 422 P C 0.539 177.731 177.300 -0.180 0.000 1.223 422 P CA -0.032 62.779 63.100 -0.481 0.000 0.784 422 P CB 0.817 31.738 31.700 -1.298 0.000 0.923 423 T N -3.261 111.302 114.554 0.016 0.000 3.022 423 T HA -0.001 4.349 4.350 0.000 0.000 0.250 423 T C 0.542 175.271 174.700 0.049 0.000 1.060 423 T CA -0.036 62.132 62.100 0.112 0.000 1.013 423 T CB -0.535 68.464 68.868 0.219 0.000 0.982 423 T HN 0.382 nan 8.240 nan 0.000 0.508 424 D N 3.052 123.464 120.400 0.019 0.000 2.934 424 D HA 0.300 4.940 4.640 0.000 0.000 0.237 424 D C 0.442 176.741 176.300 -0.002 0.000 1.158 424 D CA -0.441 53.588 54.000 0.049 0.000 0.971 424 D CB -0.187 40.682 40.800 0.115 0.000 1.123 424 D HN 0.510 nan 8.370 nan 0.000 0.467 425 V N -3.496 116.363 119.914 -0.092 0.000 3.182 425 V HA 0.602 4.722 4.120 0.000 0.000 0.308 425 V C -1.228 174.749 176.094 -0.195 0.000 1.240 425 V CA -1.236 60.931 62.300 -0.221 0.000 1.063 425 V CB 2.031 33.519 31.823 -0.559 0.000 1.076 425 V HN 0.150 nan 8.190 nan 0.000 0.446 426 Q N 0.361 120.016 119.800 -0.241 0.000 2.290 426 Q HA 0.439 4.779 4.340 0.000 0.000 0.269 426 Q C -1.916 173.999 176.000 -0.142 0.000 1.016 426 Q CA -0.465 55.274 55.803 -0.107 0.000 0.754 426 Q CB 1.709 30.429 28.738 -0.030 0.000 1.247 426 Q HN 0.803 nan 8.270 nan 0.000 0.451 427 W N 3.144 124.473 121.300 0.047 0.000 2.202 427 W HA 0.152 4.812 4.660 0.000 0.000 0.332 427 W C 1.102 177.696 176.519 0.125 0.000 1.263 427 W CA -0.518 56.884 57.345 0.095 0.000 1.223 427 W CB 0.396 29.918 29.460 0.104 0.000 1.128 427 W HN 0.743 nan 8.180 nan 0.000 0.573 428 F N 2.592 122.718 119.950 0.293 0.000 2.120 428 F HA -0.352 4.175 4.527 0.000 0.000 0.300 428 F C 2.211 178.119 175.800 0.181 0.000 1.095 428 F CA 2.434 60.548 58.000 0.191 0.000 1.249 428 F CB -0.087 39.021 39.000 0.180 0.000 0.995 428 F HN 0.396 nan 8.300 nan 0.000 0.480 429 D N -0.863 119.745 120.400 0.345 0.000 2.340 429 D HA 0.099 4.739 4.640 0.000 0.000 0.220 429 D C 1.741 178.110 176.300 0.115 0.000 1.039 429 D CA 0.827 54.942 54.000 0.191 0.000 0.866 429 D CB -0.582 40.361 40.800 0.238 0.000 0.913 429 D HN 0.459 nan 8.370 nan 0.000 0.523 430 G N -0.028 108.861 108.800 0.149 0.000 2.162 430 G HA2 -0.313 3.647 3.960 0.000 0.000 0.260 430 G HA3 -0.313 3.647 3.960 0.000 0.000 0.260 430 G C 0.429 175.409 174.900 0.132 0.000 0.976 430 G CA 0.329 45.500 45.100 0.118 0.000 0.655 430 G HN 0.448 nan 8.290 nan 0.000 0.533 431 S N 0.416 116.200 115.700 0.141 0.000 2.542 431 S HA 0.198 4.668 4.470 0.000 0.000 0.287 431 S C 0.537 175.202 174.600 0.108 0.000 1.315 431 S CA 0.457 58.687 58.200 0.050 0.000 1.037 431 S CB 0.690 63.821 63.200 -0.115 0.000 0.822 431 S HN 0.488 nan 8.310 nan 0.000 0.513 432 D N 2.242 122.667 120.400 0.042 0.000 2.363 432 D HA 0.147 4.787 4.640 0.000 0.000 0.263 432 D C -1.625 174.759 176.300 0.139 0.000 1.258 432 D CA -2.002 52.052 54.000 0.091 0.000 0.907 432 D CB 0.996 41.827 40.800 0.050 0.000 1.107 432 D HN 0.085 nan 8.370 nan 0.000 0.495 433 P HA -0.138 nan 4.420 nan 0.000 0.219 433 P C 1.175 178.665 177.300 0.317 0.000 1.146 433 P CA 0.876 64.216 63.100 0.400 0.000 0.808 433 P CB 0.315 32.234 31.700 0.365 0.000 0.779 434 Q N -0.256 119.698 119.800 0.257 0.000 2.224 434 Q HA -0.082 4.258 4.340 0.000 0.000 0.203 434 Q C 1.792 177.982 176.000 0.317 0.000 0.970 434 Q CA 1.316 57.313 55.803 0.324 0.000 0.865 434 Q CB -0.307 28.563 28.738 0.219 0.000 0.922 434 Q HN 0.422 nan 8.270 nan 0.000 0.445 435 K N -0.667 119.833 120.400 0.167 0.000 2.262 435 K HA 0.126 4.446 4.320 0.000 0.000 0.200 435 K C 1.895 178.530 176.600 0.058 0.000 1.049 435 K CA 0.124 56.460 56.287 0.082 0.000 0.979 435 K CB 0.164 32.631 32.500 -0.055 0.000 0.773 435 K HN 0.057 nan 8.250 nan 0.000 0.474 436 M N 0.381 119.986 119.600 0.009 0.000 2.374 436 M HA -0.107 4.373 4.480 0.000 0.000 0.264 436 M C 1.894 178.203 176.300 0.016 0.000 1.067 436 M CA 1.512 56.741 55.300 -0.119 0.000 1.103 436 M CB -0.812 31.453 32.600 -0.558 0.000 1.402 436 M HN 0.222 nan 8.290 nan 0.000 0.444 437 H N 0.996 120.060 119.070 -0.009 0.000 2.265 437 H HA -0.151 4.405 4.556 0.000 0.000 0.295 437 H C 1.762 176.993 175.328 -0.162 0.000 1.084 437 H CA 2.505 58.449 56.048 -0.174 0.000 1.261 437 H CB 0.147 29.562 29.762 -0.577 0.000 1.360 437 H HN 0.298 nan 8.280 nan 0.000 0.487 438 N N -0.955 117.708 118.700 -0.062 0.000 2.250 438 N HA -0.117 4.623 4.740 0.000 0.000 0.181 438 N C 1.810 177.418 175.510 0.164 0.000 1.017 438 N CA 1.266 54.333 53.050 0.028 0.000 0.866 438 N CB -0.491 38.122 38.487 0.209 0.000 0.985 438 N HN 0.519 nan 8.380 nan 0.000 0.429 439 H N -0.519 118.609 119.070 0.097 0.000 2.495 439 H HA -0.010 4.546 4.556 -0.000 0.000 0.287 439 H C 1.747 177.172 175.328 0.162 0.000 1.033 439 H CA 0.825 56.956 56.048 0.138 0.000 1.307 439 H CB -0.240 29.547 29.762 0.042 0.000 1.401 439 H HN 0.212 nan 8.280 nan 0.000 0.555 440 Y N 0.485 120.757 120.300 -0.047 0.000 2.139 440 Y HA -0.350 4.200 4.550 0.000 0.000 0.282 440 Y C 2.548 178.487 175.900 0.064 0.000 1.179 440 Y CA 2.059 60.134 58.100 -0.042 0.000 1.161 440 Y CB -0.661 37.782 38.460 -0.029 0.000 0.970 440 Y HN 0.343 nan 8.280 nan 0.000 0.511 441 A N -0.897 122.061 122.820 0.230 0.000 1.933 441 A HA -0.256 4.064 4.320 0.000 0.000 0.218 441 A C 2.095 179.744 177.584 0.108 0.000 1.175 441 A CA 1.712 53.892 52.037 0.239 0.000 0.628 441 A CB -1.452 17.681 19.000 0.221 0.000 0.814 441 A HN 0.741 nan 8.150 nan 0.000 0.444 442 Y N 0.519 120.778 120.300 -0.068 0.000 2.133 442 Y HA -0.174 4.376 4.550 -0.000 0.000 0.287 442 Y C 2.051 177.810 175.900 -0.236 0.000 1.134 442 Y CA 1.723 59.761 58.100 -0.103 0.000 1.133 442 Y CB -0.082 38.260 38.460 -0.196 0.000 0.987 442 Y HN 0.225 nan 8.280 nan 0.000 0.502 443 I N 0.077 120.480 120.570 -0.278 0.000 2.226 443 I HA -0.318 3.852 4.170 0.000 0.000 0.245 443 I C 2.360 178.171 176.117 -0.511 0.000 1.100 443 I CA 1.660 62.744 61.300 -0.360 0.000 1.374 443 I CB -1.737 36.100 38.000 -0.271 0.000 1.057 443 I HN 0.436 nan 8.210 nan 0.000 0.413 444 Y N 2.545 122.465 120.300 -0.633 0.000 2.049 444 Y HA -0.288 4.262 4.550 0.000 0.000 0.277 444 Y C 2.582 178.131 175.900 -0.585 0.000 1.143 444 Y CA 1.888 59.569 58.100 -0.698 0.000 1.115 444 Y CB -0.316 37.900 38.460 -0.406 0.000 0.975 444 Y HN 0.166 nan 8.280 nan 0.000 0.487 445 N N 0.635 118.911 118.700 -0.707 0.000 2.094 445 N HA -0.271 4.469 4.740 0.000 0.000 0.191 445 N C 1.846 176.768 175.510 -0.980 0.000 1.023 445 N CA 1.816 54.416 53.050 -0.749 0.000 0.857 445 N CB -0.464 37.780 38.487 -0.405 0.000 1.013 445 N HN 0.626 nan 8.380 nan 0.000 0.426 446 E N 1.349 120.820 120.200 -1.216 0.000 2.058 446 E HA -0.176 4.174 4.350 0.000 0.000 0.194 446 E C 2.243 178.366 176.600 -0.795 0.000 0.997 446 E CA 0.731 56.252 56.400 -1.464 0.000 0.801 446 E CB -0.130 28.949 29.700 -1.036 0.000 0.746 446 E HN 0.283 nan 8.360 nan 0.000 0.450 447 L N 0.452 121.291 121.223 -0.640 0.000 2.012 447 L HA -0.183 4.157 4.340 0.000 0.000 0.210 447 L C 2.370 179.016 176.870 -0.373 0.000 1.073 447 L CA 1.227 55.774 54.840 -0.488 0.000 0.748 447 L CB -0.147 41.516 42.059 -0.661 0.000 0.891 447 L HN 0.082 nan 8.230 nan 0.000 0.431 448 V N -0.782 118.894 119.914 -0.397 0.000 2.358 448 V HA -0.308 3.812 4.120 0.000 0.000 0.246 448 V C 2.132 178.147 176.094 -0.132 0.000 1.047 448 V CA 2.121 64.272 62.300 -0.248 0.000 1.035 448 V CB -0.919 30.752 31.823 -0.253 0.000 0.658 448 V HN 0.715 nan 8.190 nan 0.000 0.452 449 W N 1.406 122.467 121.300 -0.397 0.000 2.335 449 W HA -0.217 4.443 4.660 -0.000 0.000 0.311 449 W C 2.274 178.672 176.519 -0.201 0.000 1.213 449 W CA 2.032 59.202 57.345 -0.292 0.000 1.274 449 W CB -0.369 28.794 29.460 -0.495 0.000 1.148 449 W HN 0.344 nan 8.180 nan 0.000 0.498 450 N N 0.457 119.118 118.700 -0.065 0.000 2.244 450 N HA -0.152 4.588 4.740 0.000 0.000 0.183 450 N C 1.733 177.168 175.510 -0.124 0.000 1.016 450 N CA 1.626 54.629 53.050 -0.078 0.000 0.866 450 N CB -0.804 37.639 38.487 -0.074 0.000 0.980 450 N HN 0.050 nan 8.380 nan 0.000 0.430 451 V N 1.234 121.067 119.914 -0.135 0.000 2.295 451 V HA -0.184 3.936 4.120 0.000 0.000 0.246 451 V C 2.288 178.323 176.094 -0.098 0.000 1.049 451 V CA 1.109 63.344 62.300 -0.108 0.000 1.024 451 V CB -0.390 31.367 31.823 -0.111 0.000 0.648 451 V HN 0.172 nan 8.190 nan 0.000 0.447 452 L N 0.010 121.155 121.223 -0.131 0.000 2.017 452 L HA -0.176 4.164 4.340 0.000 0.000 0.208 452 L C 2.378 179.107 176.870 -0.235 0.000 1.073 452 L CA 1.942 56.677 54.840 -0.175 0.000 0.745 452 L CB -1.293 40.593 42.059 -0.289 0.000 0.894 452 L HN 0.350 nan 8.230 nan 0.000 0.432 453 K N -0.332 119.881 120.400 -0.312 0.000 2.044 453 K HA -0.203 4.117 4.320 0.000 0.000 0.210 453 K C 1.428 177.960 176.600 -0.114 0.000 1.049 453 K CA 1.822 57.975 56.287 -0.224 0.000 0.927 453 K CB 0.000 32.405 32.500 -0.159 0.000 0.713 453 K HN 0.305 nan 8.250 nan 0.000 0.443 454 D N -0.703 119.642 120.400 -0.093 0.000 2.347 454 D HA -0.071 4.569 4.640 0.000 0.000 0.215 454 D C 1.570 177.835 176.300 -0.059 0.000 0.976 454 D CA 1.362 55.325 54.000 -0.062 0.000 0.884 454 D CB 0.361 41.128 40.800 -0.056 0.000 0.915 454 D HN 0.510 nan 8.370 nan 0.000 0.526 455 T N -2.222 112.291 114.554 -0.068 0.000 3.151 455 T HA 0.005 4.355 4.350 0.000 0.000 0.239 455 T C 1.958 176.625 174.700 -0.055 0.000 0.979 455 T CA 0.637 62.703 62.100 -0.055 0.000 1.194 455 T CB -0.523 68.318 68.868 -0.045 0.000 0.982 455 T HN 0.022 nan 8.240 nan 0.000 0.428 456 V N -0.707 119.168 119.914 -0.065 0.000 3.590 456 V HA 0.646 4.766 4.120 0.000 0.000 0.265 456 V C 1.122 177.189 176.094 -0.046 0.000 1.239 456 V CA 0.205 62.474 62.300 -0.051 0.000 1.117 456 V CB -1.001 30.796 31.823 -0.042 0.000 0.818 456 V HN 1.146 nan 8.190 nan 0.000 0.451 457 G N 0.546 109.304 108.800 -0.071 0.000 2.697 457 G HA2 -0.164 3.796 3.960 0.000 0.000 0.686 457 G HA3 -0.164 3.796 3.960 0.000 0.000 0.686 457 G C 0.061 174.905 174.900 -0.092 0.000 1.179 457 G CA 0.161 45.226 45.100 -0.059 0.000 0.765 457 G HN 0.445 nan 8.290 nan 0.000 0.649 458 E N 0.183 120.343 120.200 -0.068 0.000 2.110 458 E HA -0.200 4.150 4.350 0.000 0.000 0.193 458 E C 2.333 178.910 176.600 -0.039 0.000 0.988 458 E CA 1.656 58.013 56.400 -0.072 0.000 0.804 458 E CB 0.025 29.749 29.700 0.041 0.000 0.745 458 E HN 0.635 nan 8.360 nan 0.000 0.458 459 E N 0.410 120.615 120.200 0.008 0.000 2.338 459 E HA -0.189 4.161 4.350 0.000 0.000 0.197 459 E C 0.996 177.611 176.600 0.025 0.000 1.007 459 E CA 0.876 57.302 56.400 0.044 0.000 0.849 459 E CB 0.098 29.837 29.700 0.066 0.000 0.774 459 E HN 0.279 nan 8.360 nan 0.000 0.506 460 E N 0.558 120.757 120.200 -0.002 0.000 2.481 460 E HA 0.244 4.594 4.350 0.000 0.000 0.198 460 E C 0.083 176.656 176.600 -0.045 0.000 1.027 460 E CA 0.206 56.641 56.400 0.057 0.000 0.900 460 E CB 0.803 30.579 29.700 0.127 0.000 0.993 460 E HN 0.297 nan 8.360 nan 0.000 0.482 461 A N 1.357 124.019 122.820 -0.263 0.000 2.454 461 A HA 0.366 4.686 4.320 0.000 0.000 0.260 461 A C -0.024 177.290 177.584 -0.450 0.000 1.106 461 A CA 0.004 51.684 52.037 -0.595 0.000 0.780 461 A CB 0.587 18.731 19.000 -1.426 0.000 1.044 461 A HN 0.020 nan 8.150 nan 0.000 0.498 462 V N 4.073 123.858 119.914 -0.216 0.000 3.077 462 V HA 0.594 4.714 4.120 0.000 0.000 0.299 462 V C -1.072 175.132 176.094 0.183 0.000 1.276 462 V CA -0.559 61.779 62.300 0.064 0.000 0.993 462 V CB 1.985 33.783 31.823 -0.040 0.000 1.076 462 V HN 0.895 nan 8.190 nan 0.000 0.434 463 L N 3.891 125.248 121.223 0.223 0.000 2.257 463 L HA 0.669 5.009 4.340 0.000 0.000 0.257 463 L C -1.532 175.393 176.870 0.092 0.000 1.033 463 L CA -0.712 54.239 54.840 0.186 0.000 0.835 463 L CB 2.382 44.522 42.059 0.135 0.000 1.398 463 L HN 0.610 nan 8.230 nan 0.000 0.429 464 F N 1.123 121.012 119.950 -0.102 0.000 2.532 464 F HA 0.604 5.131 4.527 -0.000 0.000 0.365 464 F C 0.063 175.876 175.800 0.021 0.000 1.112 464 F CA -0.500 57.370 58.000 -0.217 0.000 1.082 464 F CB 1.396 40.098 39.000 -0.495 0.000 1.319 464 F HN 0.356 nan 8.300 nan 0.000 0.457 465 A N 4.704 127.515 122.820 -0.016 0.000 2.304 465 A HA 0.563 4.883 4.320 0.000 0.000 0.323 465 A C 0.905 178.428 177.584 -0.102 0.000 1.195 465 A CA -0.570 51.432 52.037 -0.059 0.000 0.826 465 A CB 1.068 19.803 19.000 -0.441 0.000 1.184 465 A HN 0.886 nan 8.150 nan 0.000 0.496 466 R N 1.060 121.413 120.500 -0.245 0.000 2.156 466 R HA 0.141 4.481 4.340 0.000 0.000 0.207 466 R C 0.681 176.750 176.300 -0.385 0.000 1.040 466 R CA 0.980 56.591 56.100 -0.815 0.000 1.013 466 R CB 0.205 29.858 30.300 -1.078 0.000 0.931 466 R HN 0.667 nan 8.270 nan 0.000 0.465 467 S N -0.990 114.659 115.700 -0.085 0.000 2.648 467 S HA 0.812 5.282 4.470 0.000 0.000 0.305 467 S C -1.332 173.351 174.600 0.138 0.000 1.094 467 S CA -0.354 57.879 58.200 0.055 0.000 0.983 467 S CB 1.904 65.184 63.200 0.134 0.000 1.101 467 S HN 0.318 nan 8.310 nan 0.000 0.514 468 A N 1.308 124.201 122.820 0.122 0.000 2.599 468 A HA 0.849 5.169 4.320 0.000 0.000 0.290 468 A C -0.750 176.946 177.584 0.187 0.000 1.101 468 A CA -0.517 51.628 52.037 0.180 0.000 0.674 468 A CB 1.244 20.270 19.000 0.043 0.000 1.277 468 A HN 1.046 nan 8.150 nan 0.000 0.419 469 S N -0.959 114.906 115.700 0.275 0.000 2.615 469 S HA 0.566 5.036 4.470 0.000 0.000 0.269 469 S C -0.907 173.813 174.600 0.200 0.000 1.161 469 S CA -0.211 58.143 58.200 0.257 0.000 0.817 469 S CB 1.213 64.598 63.200 0.308 0.000 1.131 469 S HN 1.616 nan 8.310 nan 0.000 0.467 470 V N 3.059 122.965 119.914 -0.014 0.000 2.625 470 V HA 0.342 4.462 4.120 0.000 0.000 0.305 470 V C 1.878 177.813 176.094 -0.264 0.000 1.055 470 V CA 2.067 64.188 62.300 -0.299 0.000 1.209 470 V CB -0.185 31.043 31.823 -0.990 0.000 0.877 470 V HN 1.631 nan 8.190 nan 0.000 0.489 471 G N 4.072 112.684 108.800 -0.313 0.000 2.279 471 G HA2 -0.216 3.744 3.960 0.000 0.000 0.223 471 G HA3 -0.216 3.744 3.960 0.000 0.000 0.223 471 G C 1.011 175.804 174.900 -0.179 0.000 1.015 471 G CA 0.356 45.296 45.100 -0.267 0.000 0.621 471 G HN 1.451 nan 8.290 nan 0.000 0.506 472 A N 1.183 124.029 122.820 0.043 0.000 2.125 472 A HA 0.072 4.392 4.320 0.000 0.000 0.219 472 A C 2.245 179.664 177.584 -0.275 0.000 1.156 472 A CA 2.265 54.326 52.037 0.040 0.000 0.671 472 A CB -0.429 18.818 19.000 0.410 0.000 0.794 472 A HN 1.017 nan 8.150 nan 0.000 0.459 473 Q N 0.597 119.912 119.800 -0.808 0.000 2.368 473 Q HA -0.183 4.157 4.340 0.000 0.000 0.210 473 Q C 1.221 176.841 176.000 -0.634 0.000 0.982 473 Q CA 1.659 56.872 55.803 -0.983 0.000 0.884 473 Q CB -0.535 27.322 28.738 -1.469 0.000 0.933 473 Q HN 0.655 nan 8.270 nan 0.000 0.460 474 K N 0.156 120.017 120.400 -0.899 0.000 2.360 474 K HA -0.049 4.271 4.320 0.000 0.000 0.201 474 K C -0.173 175.627 176.600 -1.333 0.000 1.046 474 K CA 0.684 56.310 56.287 -1.102 0.000 0.945 474 K CB 0.015 31.669 32.500 -1.410 0.000 0.750 474 K HN 0.208 nan 8.250 nan 0.000 0.464 475 F N 1.322 120.857 119.950 -0.691 0.000 2.532 475 F HA 0.281 4.808 4.527 -0.000 0.000 0.313 475 F C -2.192 173.340 175.800 -0.447 0.000 1.301 475 F CA -3.549 53.847 58.000 -1.006 0.000 1.154 475 F CB -0.016 38.586 39.000 -0.663 0.000 1.335 475 F HN -0.139 nan 8.300 nan 0.000 0.542 476 P HA 0.202 nan 4.420 nan 0.000 0.275 476 P C -0.076 177.142 177.300 -0.137 0.000 1.270 476 P CA -0.004 63.090 63.100 -0.011 0.000 0.791 476 P CB 1.601 33.333 31.700 0.053 0.000 1.089 477 V N -1.457 118.305 119.914 -0.254 0.000 3.418 477 V HA -0.196 3.924 4.120 0.000 0.000 0.479 477 V C -0.612 175.121 176.094 -0.601 0.000 0.682 477 V CA 0.726 62.704 62.300 -0.538 0.000 2.011 477 V CB -2.545 28.707 31.823 -0.951 0.000 2.457 477 V HN 0.749 nan 8.190 nan 0.000 0.501 478 H N 3.236 122.126 119.070 -0.301 0.000 2.538 478 H HA 0.710 5.266 4.556 -0.000 0.000 0.353 478 H C -0.090 175.048 175.328 -0.315 0.000 1.109 478 H CA 0.079 56.011 56.048 -0.193 0.000 1.192 478 H CB 1.435 31.180 29.762 -0.029 0.000 1.555 478 H HN 0.841 nan 8.280 nan 0.000 0.518 479 W N 2.016 123.049 121.300 -0.445 0.000 2.799 479 W HA 0.580 5.240 4.660 0.000 0.000 0.349 479 W C 0.132 176.511 176.519 -0.233 0.000 1.100 479 W CA -1.351 55.666 57.345 -0.548 0.000 1.174 479 W CB 1.073 30.251 29.460 -0.470 0.000 1.427 479 W HN 0.626 nan 8.180 nan 0.000 0.547 480 G N 1.458 110.107 108.800 -0.252 0.000 3.262 480 G HA2 0.394 4.354 3.960 0.000 0.000 0.228 480 G HA3 0.394 4.354 3.960 0.000 0.000 0.228 480 G C 0.672 175.525 174.900 -0.078 0.000 1.197 480 G CA 0.348 45.550 45.100 0.170 0.000 0.819 480 G HN 1.567 nan 8.290 nan 0.000 0.531 481 G N 0.582 108.872 108.800 -0.850 0.000 2.553 481 G HA2 -0.248 3.712 3.960 0.000 0.000 0.242 481 G HA3 -0.248 3.712 3.960 0.000 0.000 0.242 481 G C -0.617 174.218 174.900 -0.109 0.000 1.277 481 G CA -0.126 44.505 45.100 -0.782 0.000 0.910 481 G HN 0.211 nan 8.290 nan 0.000 0.576 482 D N 1.645 122.000 120.400 -0.075 0.000 2.522 482 D HA 0.437 5.077 4.640 0.000 0.000 0.218 482 D C 1.333 177.751 176.300 0.196 0.000 1.149 482 D CA 0.452 54.405 54.000 -0.079 0.000 0.981 482 D CB -0.700 40.032 40.800 -0.113 0.000 1.041 482 D HN 0.847 nan 8.370 nan 0.000 0.518 483 C N 0.395 119.854 119.300 0.265 0.000 2.480 483 C HA 0.571 5.031 4.460 0.000 0.000 0.344 483 C C 0.411 175.602 174.990 0.336 0.000 1.380 483 C CA -0.900 58.333 59.018 0.358 0.000 2.386 483 C CB -0.167 27.861 27.740 0.480 0.000 2.210 483 C HN 0.409 nan 8.230 nan 0.000 0.640 484 Y N -0.996 119.507 120.300 0.338 0.000 2.487 484 Y HA 0.531 5.081 4.550 -0.000 0.000 0.337 484 Y C 0.800 176.902 175.900 0.337 0.000 1.076 484 Y CA -0.374 57.892 58.100 0.278 0.000 1.115 484 Y CB 1.582 40.173 38.460 0.219 0.000 1.235 484 Y HN 0.895 nan 8.280 nan 0.000 0.468 485 A N 3.003 126.025 122.820 0.338 0.000 3.077 485 A HA 0.242 4.562 4.320 0.000 0.000 0.255 485 A C -0.703 177.073 177.584 0.321 0.000 1.728 485 A CA -0.075 52.134 52.037 0.287 0.000 1.383 485 A CB -1.817 17.256 19.000 0.121 0.000 1.097 485 A HN 0.763 nan 8.150 nan 0.000 0.634 486 N N -2.839 116.112 118.700 0.419 0.000 2.732 486 N HA 0.428 5.168 4.740 0.000 0.000 0.259 486 N C -0.010 175.625 175.510 0.208 0.000 1.402 486 N CA -0.829 52.348 53.050 0.212 0.000 0.829 486 N CB 0.321 38.931 38.487 0.206 0.000 1.495 486 N HN -0.086 nan 8.380 nan 0.000 0.511 487 Y N -0.153 120.314 120.300 0.278 0.000 2.181 487 Y HA -0.060 4.490 4.550 0.000 0.000 0.288 487 Y C 1.781 177.793 175.900 0.187 0.000 1.146 487 Y CA 1.508 59.762 58.100 0.256 0.000 1.164 487 Y CB -0.436 38.199 38.460 0.292 0.000 0.982 487 Y HN 0.664 nan 8.280 nan 0.000 0.515 488 E N -0.619 119.755 120.200 0.289 0.000 2.085 488 E HA -0.195 4.155 4.350 0.000 0.000 0.194 488 E C 2.464 179.160 176.600 0.159 0.000 0.994 488 E CA 1.625 58.121 56.400 0.160 0.000 0.801 488 E CB -0.434 29.343 29.700 0.128 0.000 0.743 488 E HN 0.224 nan 8.360 nan 0.000 0.453 489 S N -0.692 115.146 115.700 0.231 0.000 2.436 489 S HA -0.027 4.443 4.470 0.000 0.000 0.228 489 S C 1.851 176.620 174.600 0.282 0.000 1.014 489 S CA 0.676 59.052 58.200 0.294 0.000 0.950 489 S CB -0.125 63.330 63.200 0.423 0.000 0.784 489 S HN 0.258 nan 8.310 nan 0.000 0.504 490 M N 1.026 120.657 119.600 0.052 0.000 2.117 490 M HA -0.067 4.413 4.480 0.000 0.000 0.262 490 M C 2.123 178.487 176.300 0.105 0.000 1.065 490 M CA 1.707 56.789 55.300 -0.363 0.000 1.114 490 M CB -0.443 31.722 32.600 -0.726 0.000 1.361 490 M HN 0.482 nan 8.290 nan 0.000 0.408 491 A N 0.761 123.672 122.820 0.151 0.000 1.902 491 A HA -0.224 4.096 4.320 0.000 0.000 0.217 491 A C 1.928 179.545 177.584 0.055 0.000 1.181 491 A CA 1.895 53.897 52.037 -0.058 0.000 0.623 491 A CB -0.946 17.834 19.000 -0.368 0.000 0.818 491 A HN 0.781 nan 8.150 nan 0.000 0.443 492 E N -0.215 120.069 120.200 0.140 0.000 2.107 492 E HA -0.115 4.235 4.350 0.000 0.000 0.191 492 E C 1.920 178.763 176.600 0.406 0.000 0.982 492 E CA 1.423 57.960 56.400 0.229 0.000 0.809 492 E CB -0.441 29.388 29.700 0.215 0.000 0.756 492 E HN 0.423 nan 8.360 nan 0.000 0.459 493 S N 1.328 117.290 115.700 0.438 0.000 2.359 493 S HA -0.168 4.302 4.470 0.000 0.000 0.224 493 S C 1.900 176.842 174.600 0.569 0.000 1.035 493 S CA 1.353 59.943 58.200 0.649 0.000 1.018 493 S CB -0.446 63.173 63.200 0.699 0.000 0.876 493 S HN 0.280 nan 8.310 nan 0.000 0.448 494 L N 2.279 123.726 121.223 0.374 0.000 2.042 494 L HA -0.076 4.264 4.340 0.000 0.000 0.210 494 L C 2.226 179.076 176.870 -0.034 0.000 1.076 494 L CA 1.684 56.626 54.840 0.170 0.000 0.749 494 L CB -0.590 41.483 42.059 0.024 0.000 0.893 494 L HN 0.144 nan 8.230 nan 0.000 0.432 495 R N -0.517 120.000 120.500 0.028 0.000 2.096 495 R HA -0.163 4.177 4.340 0.000 0.000 0.240 495 R C 2.201 178.409 176.300 -0.154 0.000 1.139 495 R CA 1.385 57.464 56.100 -0.035 0.000 0.952 495 R CB -1.178 29.137 30.300 0.024 0.000 0.854 495 R HN 0.603 nan 8.270 nan 0.000 0.436 496 G N 0.256 108.992 108.800 -0.107 0.000 2.421 496 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 496 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 496 G C 1.542 176.053 174.900 -0.647 0.000 1.171 496 G CA 0.879 45.762 45.100 -0.362 0.000 0.775 496 G HN 0.466 nan 8.290 nan 0.000 0.543 497 G N 0.966 109.073 108.800 -1.154 0.000 2.446 497 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 497 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 497 G C 1.834 176.133 174.900 -1.002 0.000 1.168 497 G CA 0.886 44.640 45.100 -2.242 0.000 0.771 497 G HN 0.419 nan 8.290 nan 0.000 0.551 498 L N 0.634 121.504 121.223 -0.588 0.000 2.012 498 L HA -0.115 4.225 4.340 0.000 0.000 0.210 498 L C 3.247 179.944 176.870 -0.288 0.000 1.073 498 L CA 1.365 56.008 54.840 -0.329 0.000 0.748 498 L CB -0.488 41.467 42.059 -0.174 0.000 0.891 498 L HN 0.192 nan 8.230 nan 0.000 0.431 499 S N -0.033 115.484 115.700 -0.305 0.000 2.370 499 S HA -0.203 4.267 4.470 0.000 0.000 0.226 499 S C 1.975 176.423 174.600 -0.254 0.000 1.033 499 S CA 1.380 59.432 58.200 -0.246 0.000 1.011 499 S CB -0.309 62.725 63.200 -0.277 0.000 0.852 499 S HN 0.334 nan 8.310 nan 0.000 0.457 500 I N 1.252 121.600 120.570 -0.370 0.000 2.361 500 I HA -0.151 4.019 4.170 0.000 0.000 0.251 500 I C 2.257 178.297 176.117 -0.129 0.000 1.133 500 I CA 1.186 62.293 61.300 -0.322 0.000 1.413 500 I CB -0.541 37.175 38.000 -0.473 0.000 1.073 500 I HN 0.396 nan 8.210 nan 0.000 0.424 501 G N 0.535 109.226 108.800 -0.182 0.000 2.421 501 G HA2 -0.163 3.797 3.960 0.000 0.000 0.217 501 G HA3 -0.163 3.797 3.960 0.000 0.000 0.217 501 G C 1.535 176.385 174.900 -0.083 0.000 1.143 501 G CA 0.146 45.178 45.100 -0.114 0.000 0.784 501 G HN 0.375 nan 8.290 nan 0.000 0.541 502 L N 1.084 122.252 121.223 -0.092 0.000 2.633 502 L HA 0.081 4.421 4.340 0.000 0.000 0.235 502 L C 1.699 178.599 176.870 0.050 0.000 1.163 502 L CA 0.385 55.195 54.840 -0.049 0.000 0.859 502 L CB 0.294 42.313 42.059 -0.068 0.000 0.973 502 L HN 0.099 nan 8.230 nan 0.000 0.451 503 S N -0.955 114.772 115.700 0.044 0.000 2.650 503 S HA 0.369 4.839 4.470 0.000 0.000 0.240 503 S C 1.191 175.819 174.600 0.046 0.000 1.007 503 S CA 0.413 58.674 58.200 0.102 0.000 0.984 503 S CB 1.166 64.424 63.200 0.097 0.000 0.910 503 S HN 0.525 nan 8.310 nan 0.000 0.509 504 G N 1.198 109.992 108.800 -0.010 0.000 2.184 504 G HA2 -0.206 3.754 3.960 0.000 0.000 0.206 504 G HA3 -0.206 3.754 3.960 0.000 0.000 0.206 504 G C -0.143 174.611 174.900 -0.244 0.000 0.995 504 G CA -0.688 44.355 45.100 -0.096 0.000 0.651 504 G HN 0.436 nan 8.290 nan 0.000 0.511 505 F N 1.080 120.921 119.950 -0.182 0.000 2.415 505 F HA 0.562 5.089 4.527 -0.000 0.000 0.348 505 F C 1.584 177.254 175.800 -0.217 0.000 1.119 505 F CA 0.204 58.087 58.000 -0.195 0.000 1.069 505 F CB 1.991 40.852 39.000 -0.231 0.000 1.124 505 F HN 0.007 nan 8.300 nan 0.000 0.472 506 G N 2.952 111.648 108.800 -0.174 0.000 2.603 506 G HA2 0.064 4.024 3.960 0.000 0.000 0.214 506 G HA3 0.064 4.024 3.960 0.000 0.000 0.214 506 G C -0.231 174.161 174.900 -0.847 0.000 1.140 506 G CA 0.389 45.130 45.100 -0.598 0.000 0.800 506 G HN 0.374 nan 8.290 nan 0.000 0.533 507 F N -2.084 117.947 119.950 0.136 0.000 2.569 507 F HA 0.648 5.175 4.527 -0.000 0.000 0.312 507 F C -1.073 174.838 175.800 0.185 0.000 1.109 507 F CA -1.510 56.567 58.000 0.129 0.000 0.919 507 F CB 1.989 40.962 39.000 -0.045 0.000 1.211 507 F HN 0.027 nan 8.300 nan 0.000 0.446 508 W N 2.146 123.514 121.300 0.113 0.000 3.707 508 W HA 0.631 5.291 4.660 -0.000 0.000 0.294 508 W C -1.509 175.035 176.519 0.041 0.000 1.248 508 W CA -0.559 56.804 57.345 0.030 0.000 1.217 508 W CB 1.929 31.413 29.460 0.040 0.000 1.306 508 W HN 0.536 nan 8.180 nan 0.000 0.532 509 S N 2.413 117.670 115.700 -0.739 0.000 2.709 509 S HA 0.867 5.337 4.470 0.000 0.000 0.302 509 S C -1.304 172.707 174.600 -0.982 0.000 1.127 509 S CA -0.392 57.378 58.200 -0.718 0.000 0.905 509 S CB 1.091 63.965 63.200 -0.544 0.000 1.151 509 S HN 0.670 nan 8.310 nan 0.000 0.510 510 H N -0.979 117.746 119.070 -0.575 0.000 3.014 510 H HA 0.511 5.067 4.556 -0.000 0.000 0.337 510 H C -2.043 173.246 175.328 -0.065 0.000 1.320 510 H CA -1.034 54.852 56.048 -0.270 0.000 1.128 510 H CB 0.125 29.741 29.762 -0.245 0.000 1.862 510 H HN 0.274 nan 8.280 nan 0.000 0.536 511 D N 1.791 122.250 120.400 0.098 0.000 2.344 511 D HA 0.177 4.817 4.640 0.000 0.000 0.253 511 D C 0.243 176.282 176.300 -0.435 0.000 1.255 511 D CA -0.060 53.883 54.000 -0.096 0.000 0.894 511 D CB 0.439 41.286 40.800 0.078 0.000 1.067 511 D HN 0.408 nan 8.370 nan 0.000 0.492 512 I N 1.490 121.769 120.570 -0.484 0.000 2.668 512 I HA 0.078 4.248 4.170 0.000 0.000 0.285 512 I C 1.686 177.336 176.117 -0.778 0.000 1.168 512 I CA 0.599 61.477 61.300 -0.703 0.000 1.424 512 I CB 0.366 38.135 38.000 -0.384 0.000 1.377 512 I HN 0.659 nan 8.210 nan 0.000 0.560 513 G N 3.896 112.003 108.800 -1.155 0.000 2.175 513 G HA2 -0.044 3.916 3.960 0.000 0.000 0.244 513 G HA3 -0.044 3.916 3.960 0.000 0.000 0.244 513 G C 0.578 175.040 174.900 -0.729 0.000 0.982 513 G CA -0.080 44.669 45.100 -0.586 0.000 0.641 513 G HN 1.614 nan 8.290 nan 0.000 0.527 514 G N -1.742 106.208 108.800 -1.416 0.000 2.722 514 G HA2 0.140 4.100 3.960 0.000 0.000 0.686 514 G HA3 0.140 4.100 3.960 0.000 0.000 0.686 514 G C 0.237 175.003 174.900 -0.223 0.000 1.282 514 G CA 0.249 44.939 45.100 -0.683 0.000 0.817 514 G HN 1.572 nan 8.290 nan 0.000 0.605 515 F N 1.348 121.185 119.950 -0.188 0.000 2.123 515 F HA 0.395 4.922 4.527 -0.000 0.000 0.289 515 F C 1.400 177.094 175.800 -0.176 0.000 1.099 515 F CA 1.412 59.320 58.000 -0.154 0.000 1.234 515 F CB 0.168 39.150 39.000 -0.030 0.000 1.034 515 F HN 0.599 nan 8.300 nan 0.000 0.479 516 E N 1.932 121.906 120.200 -0.378 0.000 2.283 516 E HA 0.260 4.610 4.350 0.000 0.000 0.278 516 E C -0.693 175.715 176.600 -0.321 0.000 1.027 516 E CA -0.044 55.998 56.400 -0.596 0.000 0.843 516 E CB 0.200 29.318 29.700 -0.970 0.000 1.062 516 E HN 0.533 nan 8.360 nan 0.000 0.401 517 N N 1.152 119.727 118.700 -0.209 0.000 6.375 517 N HA -0.139 4.601 4.740 0.000 0.000 0.405 517 N C -1.239 174.231 175.510 -0.067 0.000 1.046 517 N CA 0.680 53.694 53.050 -0.059 0.000 1.948 517 N CB -0.530 38.012 38.487 0.091 0.000 0.724 517 N HN 0.450 nan 8.380 nan 0.000 0.508 518 T N 0.535 115.074 114.554 -0.026 0.000 2.779 518 T HA 0.613 4.963 4.350 0.000 0.000 0.280 518 T C 0.034 174.776 174.700 0.070 0.000 0.987 518 T CA -0.220 61.870 62.100 -0.016 0.000 0.966 518 T CB 1.383 70.189 68.868 -0.103 0.000 0.933 518 T HN 0.639 nan 8.240 nan 0.000 0.442 519 A N 5.272 128.206 122.820 0.190 0.000 2.425 519 A HA 0.571 4.891 4.320 0.000 0.000 0.249 519 A C -2.274 175.405 177.584 0.158 0.000 1.084 519 A CA -1.274 50.863 52.037 0.167 0.000 0.781 519 A CB -0.370 18.735 19.000 0.174 0.000 1.019 519 A HN 0.492 nan 8.150 nan 0.000 0.490 520 P HA 0.186 nan 4.420 nan 0.000 0.268 520 P C 0.954 178.220 177.300 -0.056 0.000 1.205 520 P CA 0.616 63.684 63.100 -0.054 0.000 0.771 520 P CB 0.732 32.299 31.700 -0.223 0.000 0.858 521 A N 3.517 126.391 122.820 0.089 0.000 1.954 521 A HA -0.303 4.017 4.320 0.000 0.000 0.222 521 A C 1.903 179.482 177.584 -0.007 0.000 1.199 521 A CA 2.660 54.753 52.037 0.093 0.000 0.657 521 A CB -1.981 17.070 19.000 0.086 0.000 0.823 521 A HN 0.850 nan 8.150 nan 0.000 0.463 522 H N -2.075 117.032 119.070 0.061 0.000 2.389 522 H HA 0.053 4.609 4.556 0.000 0.000 0.299 522 H C 1.628 177.142 175.328 0.309 0.000 1.081 522 H CA 1.261 57.388 56.048 0.131 0.000 1.345 522 H CB -0.818 29.202 29.762 0.430 0.000 1.393 522 H HN 0.140 nan 8.280 nan 0.000 0.520 523 V N 0.742 120.552 119.914 -0.173 0.000 2.307 523 V HA -0.285 3.835 4.120 0.000 0.000 0.245 523 V C 2.320 178.510 176.094 0.159 0.000 1.045 523 V CA 2.054 64.288 62.300 -0.111 0.000 1.024 523 V CB -0.933 30.665 31.823 -0.374 0.000 0.651 523 V HN 0.448 nan 8.190 nan 0.000 0.449 524 Y N 1.321 121.571 120.300 -0.083 0.000 2.069 524 Y HA -0.332 4.218 4.550 -0.000 0.000 0.278 524 Y C 2.544 178.418 175.900 -0.043 0.000 1.175 524 Y CA 2.211 60.188 58.100 -0.204 0.000 1.134 524 Y CB -0.243 37.769 38.460 -0.745 0.000 0.965 524 Y HN 0.169 nan 8.280 nan 0.000 0.498 525 K N -0.609 119.836 120.400 0.075 0.000 2.057 525 K HA -0.171 4.149 4.320 0.000 0.000 0.207 525 K C 2.116 178.840 176.600 0.206 0.000 1.049 525 K CA 1.322 57.660 56.287 0.086 0.000 0.931 525 K CB -0.136 32.349 32.500 -0.025 0.000 0.714 525 K HN 0.155 nan 8.250 nan 0.000 0.440 526 R N 0.372 121.080 120.500 0.347 0.000 2.091 526 R HA -0.149 4.191 4.340 0.000 0.000 0.238 526 R C 1.908 178.335 176.300 0.213 0.000 1.136 526 R CA 1.006 57.287 56.100 0.302 0.000 0.959 526 R CB -0.756 29.785 30.300 0.402 0.000 0.856 526 R HN 0.464 nan 8.270 nan 0.000 0.437 527 W N 0.754 122.105 121.300 0.085 0.000 2.402 527 W HA -0.144 4.516 4.660 -0.000 0.000 0.286 527 W C 1.955 178.457 176.519 -0.029 0.000 1.221 527 W CA 0.189 57.603 57.345 0.114 0.000 1.257 527 W CB -0.468 29.023 29.460 0.053 0.000 1.120 527 W HN 0.060 nan 8.180 nan 0.000 0.551 528 C N -0.040 119.290 119.300 0.050 0.000 2.446 528 C HA -0.096 4.364 4.460 0.000 0.000 0.277 528 C C 3.072 177.995 174.990 -0.110 0.000 1.275 528 C CA 1.623 60.582 59.018 -0.097 0.000 1.727 528 C CB -1.502 26.133 27.740 -0.174 0.000 2.010 528 C HN 0.343 nan 8.230 nan 0.000 0.486 529 A N 0.129 122.773 122.820 -0.293 0.000 1.902 529 A HA -0.190 4.130 4.320 0.000 0.000 0.217 529 A C 1.938 179.408 177.584 -0.190 0.000 1.181 529 A CA 1.800 53.345 52.037 -0.820 0.000 0.623 529 A CB -0.818 17.662 19.000 -0.868 0.000 0.818 529 A HN 0.545 nan 8.150 nan 0.000 0.443 530 F N 1.333 121.234 119.950 -0.081 0.000 2.113 530 F HA 0.024 4.551 4.527 -0.000 0.000 0.297 530 F C 2.212 178.203 175.800 0.318 0.000 1.103 530 F CA 1.409 59.485 58.000 0.127 0.000 1.248 530 F CB -1.015 38.014 39.000 0.048 0.000 0.999 530 F HN 0.152 nan 8.300 nan 0.000 0.475 531 G N 0.769 109.612 108.800 0.071 0.000 2.422 531 G HA2 -0.140 3.820 3.960 0.000 0.000 0.218 531 G HA3 -0.140 3.820 3.960 0.000 0.000 0.218 531 G C 1.520 176.406 174.900 -0.024 0.000 1.140 531 G CA 0.580 45.597 45.100 -0.138 0.000 0.775 531 G HN 0.354 nan 8.290 nan 0.000 0.545 532 L N 0.022 121.284 121.223 0.065 0.000 2.554 532 L HA 0.339 4.679 4.340 0.000 0.000 0.226 532 L C 1.677 178.674 176.870 0.212 0.000 1.137 532 L CA 0.758 55.685 54.840 0.145 0.000 0.863 532 L CB -0.321 41.868 42.059 0.216 0.000 0.985 532 L HN 0.227 nan 8.230 nan 0.000 0.451 533 L N -1.191 120.178 121.223 0.243 0.000 2.928 533 L HA 0.188 4.528 4.340 0.000 0.000 0.246 533 L C 0.341 177.478 176.870 0.445 0.000 1.239 533 L CA -0.059 54.990 54.840 0.349 0.000 1.035 533 L CB 0.243 42.516 42.059 0.357 0.000 1.360 533 L HN 0.012 nan 8.230 nan 0.000 0.529 534 S N -1.445 114.442 115.700 0.312 0.000 2.664 534 S HA 0.231 4.701 4.470 0.000 0.000 0.304 534 S C 1.163 175.919 174.600 0.260 0.000 1.099 534 S CA -0.191 58.187 58.200 0.297 0.000 1.003 534 S CB 1.970 65.315 63.200 0.242 0.000 1.092 534 S HN 0.337 nan 8.310 nan 0.000 0.525 535 S N 0.799 116.685 115.700 0.309 0.000 2.359 535 S HA -0.141 4.329 4.470 0.000 0.000 0.224 535 S C 0.173 174.790 174.600 0.028 0.000 1.035 535 S CA 1.260 59.671 58.200 0.351 0.000 1.018 535 S CB -0.534 63.024 63.200 0.597 0.000 0.876 535 S HN 0.763 nan 8.310 nan 0.000 0.448 536 H N 0.154 119.222 119.070 -0.004 0.000 2.538 536 H HA 0.708 5.264 4.556 0.000 0.000 0.353 536 H C -1.076 174.147 175.328 -0.176 0.000 1.109 536 H CA -0.505 55.451 56.048 -0.153 0.000 1.192 536 H CB 2.015 31.559 29.762 -0.363 0.000 1.555 536 H HN 0.142 nan 8.280 nan 0.000 0.518 537 S N 2.936 118.611 115.700 -0.042 0.000 2.707 537 S HA 0.470 4.940 4.470 0.000 0.000 0.312 537 S C -0.463 174.102 174.600 -0.059 0.000 1.116 537 S CA -0.855 57.301 58.200 -0.074 0.000 1.078 537 S CB 0.949 64.175 63.200 0.043 0.000 0.997 537 S HN 0.541 nan 8.310 nan 0.000 0.477 538 R N 3.141 123.526 120.500 -0.192 0.000 2.575 538 R HA 0.504 4.844 4.340 0.000 0.000 0.293 538 R C -1.671 174.519 176.300 -0.184 0.000 0.983 538 R CA -0.699 55.288 56.100 -0.189 0.000 0.887 538 R CB 0.867 30.895 30.300 -0.453 0.000 1.184 538 R HN 0.565 nan 8.270 nan 0.000 0.445 539 L N 4.740 125.903 121.223 -0.100 0.000 2.261 539 L HA 0.376 4.716 4.340 0.000 0.000 0.289 539 L C -0.556 176.302 176.870 -0.021 0.000 1.059 539 L CA -0.358 54.433 54.840 -0.082 0.000 0.816 539 L CB 0.709 42.744 42.059 -0.039 0.000 1.191 539 L HN 0.612 nan 8.230 nan 0.000 0.431 540 H N 2.348 121.336 119.070 -0.138 0.000 2.974 540 H HA 0.772 5.328 4.556 -0.000 0.000 0.366 540 H C -0.747 174.600 175.328 0.032 0.000 1.155 540 H CA -0.477 55.529 56.048 -0.070 0.000 1.186 540 H CB 2.110 31.776 29.762 -0.160 0.000 1.799 540 H HN 0.533 nan 8.280 nan 0.000 0.541 541 G N 1.207 109.671 108.800 -0.560 0.000 2.672 541 G HA2 0.372 4.332 3.960 0.000 0.000 0.292 541 G HA3 0.372 4.332 3.960 0.000 0.000 0.292 541 G C -0.193 174.371 174.900 -0.560 0.000 1.375 541 G CA -0.028 44.813 45.100 -0.432 0.000 0.890 541 G HN 0.630 nan 8.290 nan 0.000 0.476 542 S N -0.466 114.722 115.700 -0.853 0.000 2.315 542 S HA 0.056 4.526 4.470 0.000 0.000 0.211 542 S C 1.761 176.188 174.600 -0.288 0.000 1.029 542 S CA 1.290 59.026 58.200 -0.774 0.000 0.956 542 S CB -0.172 62.246 63.200 -1.303 0.000 0.918 542 S HN 0.483 nan 8.310 nan 0.000 0.470 543 K N 0.669 120.872 120.400 -0.327 0.000 2.374 543 K HA 0.254 4.574 4.320 0.000 0.000 0.202 543 K C -0.014 176.398 176.600 -0.314 0.000 1.040 543 K CA -0.005 56.124 56.287 -0.263 0.000 1.085 543 K CB 1.044 33.419 32.500 -0.208 0.000 0.873 543 K HN 0.416 nan 8.250 nan 0.000 0.539 544 S N -0.695 114.805 115.700 -0.333 0.000 2.627 544 S HA 0.470 4.940 4.470 0.000 0.000 0.283 544 S C -0.828 173.575 174.600 -0.329 0.000 1.127 544 S CA -0.991 56.980 58.200 -0.381 0.000 0.863 544 S CB 0.685 63.717 63.200 -0.280 0.000 1.121 544 S HN -0.006 nan 8.310 nan 0.000 0.479 545 Y N 0.649 120.878 120.300 -0.118 0.000 2.300 545 Y HA 0.520 5.070 4.550 0.000 0.000 0.328 545 Y C 1.729 177.511 175.900 -0.196 0.000 1.270 545 Y CA -0.932 57.084 58.100 -0.141 0.000 1.352 545 Y CB 0.643 39.010 38.460 -0.156 0.000 1.286 545 Y HN 0.544 nan 8.280 nan 0.000 0.536 546 R N 0.848 121.331 120.500 -0.028 0.000 2.432 546 R HA 0.155 4.495 4.340 0.000 0.000 0.260 546 R C -0.589 175.638 176.300 -0.122 0.000 0.935 546 R CA -0.116 55.999 56.100 0.026 0.000 1.080 546 R CB -0.523 29.801 30.300 0.041 0.000 1.155 546 R HN 0.543 nan 8.270 nan 0.000 0.531 547 V N 0.815 120.416 119.914 -0.520 0.000 2.599 547 V HA 0.076 4.196 4.120 0.000 0.000 0.300 547 V C -1.198 174.492 176.094 -0.674 0.000 1.034 547 V CA -1.076 60.682 62.300 -0.904 0.000 1.115 547 V CB 0.592 31.244 31.823 -1.952 0.000 0.934 547 V HN -0.017 nan 8.190 nan 0.000 0.485 548 P HA -0.099 nan 4.420 nan 0.000 0.220 548 P C 1.242 178.558 177.300 0.028 0.000 1.148 548 P CA 1.798 64.891 63.100 -0.011 0.000 0.803 548 P CB -0.145 31.722 31.700 0.279 0.000 0.782 549 W N -0.283 121.029 121.300 0.020 0.000 2.825 549 W HA 0.402 5.062 4.660 0.000 0.000 0.243 549 W C 1.646 178.141 176.519 -0.040 0.000 1.293 549 W CA 0.418 57.764 57.345 0.002 0.000 1.403 549 W CB -1.540 27.919 29.460 -0.002 0.000 1.134 549 W HN -0.122 nan 8.180 nan 0.000 0.666 550 A N -0.400 122.236 122.820 -0.307 0.000 2.167 550 A HA 0.032 4.352 4.320 0.000 0.000 0.214 550 A C 1.218 178.514 177.584 -0.479 0.000 1.151 550 A CA 0.938 52.751 52.037 -0.372 0.000 0.735 550 A CB -0.628 18.056 19.000 -0.526 0.000 0.802 550 A HN 0.490 nan 8.150 nan 0.000 0.467 551 Y N -0.137 119.998 120.300 -0.275 0.000 2.583 551 Y HA 0.288 4.838 4.550 -0.000 0.000 0.270 551 Y C 0.423 176.259 175.900 -0.106 0.000 1.113 551 Y CA 0.256 58.203 58.100 -0.254 0.000 1.307 551 Y CB 0.452 38.627 38.460 -0.475 0.000 1.369 551 Y HN 0.491 nan 8.280 nan 0.000 0.506 552 D N -2.974 117.496 120.400 0.115 0.000 2.769 552 D HA 0.053 4.693 4.640 0.000 0.000 0.309 552 D C -0.354 176.023 176.300 0.128 0.000 1.315 552 D CA -0.398 53.663 54.000 0.101 0.000 0.780 552 D CB 0.127 40.975 40.800 0.080 0.000 1.312 552 D HN -0.140 nan 8.370 nan 0.000 0.437 553 D N -0.171 120.298 120.400 0.115 0.000 2.117 553 D HA -0.127 4.513 4.640 0.000 0.000 0.198 553 D C 1.433 177.811 176.300 0.130 0.000 0.982 553 D CA 1.247 55.321 54.000 0.123 0.000 0.828 553 D CB 0.128 40.985 40.800 0.095 0.000 0.967 553 D HN 0.653 nan 8.370 nan 0.000 0.464 554 E N 0.607 120.875 120.200 0.114 0.000 2.118 554 E HA -0.143 4.207 4.350 0.000 0.000 0.195 554 E C 1.845 178.532 176.600 0.145 0.000 0.992 554 E CA 0.916 57.388 56.400 0.120 0.000 0.804 554 E CB 0.166 29.925 29.700 0.099 0.000 0.741 554 E HN -0.001 nan 8.360 nan 0.000 0.458 555 S N -0.166 115.623 115.700 0.149 0.000 2.400 555 S HA -0.190 4.280 4.470 0.000 0.000 0.232 555 S C 2.009 176.771 174.600 0.269 0.000 1.025 555 S CA 1.088 59.426 58.200 0.230 0.000 0.993 555 S CB -0.316 63.025 63.200 0.234 0.000 0.808 555 S HN 0.472 nan 8.310 nan 0.000 0.478 556 C N 1.777 121.221 119.300 0.239 0.000 2.440 556 C HA -0.043 4.417 4.460 0.000 0.000 0.278 556 C C 2.405 177.520 174.990 0.208 0.000 1.295 556 C CA 0.241 59.406 59.018 0.245 0.000 1.738 556 C CB -1.163 26.717 27.740 0.233 0.000 1.987 556 C HN 0.555 nan 8.230 nan 0.000 0.492 557 D N 0.794 121.305 120.400 0.185 0.000 2.144 557 D HA -0.093 4.547 4.640 0.000 0.000 0.199 557 D C 2.187 178.620 176.300 0.221 0.000 0.984 557 D CA 1.021 55.125 54.000 0.174 0.000 0.834 557 D CB -0.449 40.439 40.800 0.147 0.000 0.955 557 D HN 0.296 nan 8.370 nan 0.000 0.465 558 V N 0.825 120.895 119.914 0.261 0.000 2.261 558 V HA -0.204 3.916 4.120 0.000 0.000 0.246 558 V C 2.714 179.061 176.094 0.421 0.000 1.047 558 V CA 1.052 63.576 62.300 0.373 0.000 1.015 558 V CB -0.516 31.527 31.823 0.367 0.000 0.642 558 V HN 0.047 nan 8.190 nan 0.000 0.446 559 V N -0.141 119.956 119.914 0.306 0.000 2.332 559 V HA -0.298 3.822 4.120 0.000 0.000 0.248 559 V C 2.578 178.814 176.094 0.236 0.000 1.055 559 V CA 2.478 64.935 62.300 0.261 0.000 1.038 559 V CB -0.771 31.180 31.823 0.214 0.000 0.651 559 V HN 0.474 nan 8.190 nan 0.000 0.450 560 R N -0.862 119.757 120.500 0.199 0.000 2.070 560 R HA -0.211 4.129 4.340 0.000 0.000 0.233 560 R C 2.298 178.643 176.300 0.076 0.000 1.137 560 R CA 2.238 58.416 56.100 0.129 0.000 0.945 560 R CB -0.453 29.915 30.300 0.113 0.000 0.845 560 R HN 0.482 nan 8.270 nan 0.000 0.430 561 F N 0.207 120.111 119.950 -0.077 0.000 2.126 561 F HA -0.204 4.323 4.527 -0.000 0.000 0.299 561 F C 1.535 177.085 175.800 -0.418 0.000 1.096 561 F CA 1.603 59.416 58.000 -0.312 0.000 1.255 561 F CB -0.205 38.509 39.000 -0.477 0.000 0.997 561 F HN -0.015 nan 8.300 nan 0.000 0.479 562 F N -0.244 119.797 119.950 0.152 0.000 2.335 562 F HA -0.049 4.478 4.527 0.000 0.000 0.296 562 F C 2.453 178.260 175.800 0.012 0.000 1.091 562 F CA 1.408 59.452 58.000 0.074 0.000 1.399 562 F CB -1.227 37.890 39.000 0.196 0.000 1.067 562 F HN -0.176 nan 8.300 nan 0.000 0.520 563 T N -0.511 114.151 114.554 0.180 0.000 2.737 563 T HA -0.201 4.149 4.350 0.000 0.000 0.265 563 T C 1.919 176.663 174.700 0.073 0.000 1.038 563 T CA 1.383 63.578 62.100 0.159 0.000 1.144 563 T CB -0.345 68.628 68.868 0.175 0.000 0.866 563 T HN 0.272 nan 8.240 nan 0.000 0.434 564 Q N 0.278 120.053 119.800 -0.042 0.000 2.061 564 Q HA -0.099 4.241 4.340 0.000 0.000 0.204 564 Q C 2.372 178.260 176.000 -0.186 0.000 0.984 564 Q CA 1.245 56.972 55.803 -0.126 0.000 0.846 564 Q CB -0.407 28.198 28.738 -0.222 0.000 0.902 564 Q HN 0.326 nan 8.270 nan 0.000 0.421 565 L N 1.220 122.247 121.223 -0.327 0.000 2.046 565 L HA -0.194 4.146 4.340 0.000 0.000 0.208 565 L C 2.185 179.016 176.870 -0.066 0.000 1.077 565 L CA 1.904 56.551 54.840 -0.322 0.000 0.747 565 L CB -0.390 41.367 42.059 -0.504 0.000 0.896 565 L HN 0.025 nan 8.230 nan 0.000 0.432 566 K N -1.214 119.208 120.400 0.037 0.000 2.057 566 K HA -0.175 4.145 4.320 0.000 0.000 0.207 566 K C 2.104 178.772 176.600 0.114 0.000 1.049 566 K CA 1.768 58.127 56.287 0.120 0.000 0.931 566 K CB -0.316 32.290 32.500 0.176 0.000 0.714 566 K HN 0.526 nan 8.250 nan 0.000 0.440 567 C N 0.641 120.006 119.300 0.108 0.000 2.425 567 C HA 0.005 4.465 4.460 0.000 0.000 0.277 567 C C 2.522 177.638 174.990 0.209 0.000 1.280 567 C CA 0.469 59.587 59.018 0.167 0.000 1.744 567 C CB -0.855 26.962 27.740 0.128 0.000 1.989 567 C HN 0.478 nan 8.230 nan 0.000 0.491 568 R N 0.172 120.727 120.500 0.092 0.000 2.189 568 R HA 0.005 4.345 4.340 0.000 0.000 0.223 568 R C 1.934 178.295 176.300 0.102 0.000 1.092 568 R CA 1.012 57.170 56.100 0.097 0.000 0.989 568 R CB -0.247 30.045 30.300 -0.014 0.000 0.876 568 R HN 0.587 nan 8.270 nan 0.000 0.457 569 M N -0.266 119.381 119.600 0.078 0.000 2.595 569 M HA 0.012 4.492 4.480 0.000 0.000 0.248 569 M C 1.648 177.957 176.300 0.015 0.000 1.119 569 M CA 0.463 55.814 55.300 0.085 0.000 1.079 569 M CB 0.184 32.865 32.600 0.136 0.000 1.472 569 M HN 0.034 nan 8.290 nan 0.000 0.501 570 M N 0.118 119.673 119.600 -0.075 0.000 2.202 570 M HA -0.099 4.381 4.480 0.000 0.000 0.262 570 M C -0.737 175.054 176.300 -0.848 0.000 1.063 570 M CA 1.756 56.820 55.300 -0.395 0.000 1.097 570 M CB -2.149 30.266 32.600 -0.309 0.000 1.382 570 M HN -0.004 nan 8.290 nan 0.000 0.413 571 P HA -0.189 nan 4.420 nan 0.000 0.215 571 P C 1.562 178.682 177.300 -0.300 0.000 1.153 571 P CA 1.254 63.986 63.100 -0.613 0.000 0.853 571 P CB -0.329 31.242 31.700 -0.215 0.000 0.788 572 Y N -0.065 120.090 120.300 -0.242 0.000 2.153 572 Y HA -0.116 4.434 4.550 0.000 0.000 0.289 572 Y C 1.947 177.752 175.900 -0.158 0.000 1.127 572 Y CA 1.280 59.303 58.100 -0.128 0.000 1.131 572 Y CB -1.133 37.294 38.460 -0.054 0.000 0.995 572 Y HN -0.261 nan 8.280 nan 0.000 0.505 573 L N -0.490 120.533 121.223 -0.334 0.000 2.046 573 L HA -0.215 4.125 4.340 0.000 0.000 0.208 573 L C 2.261 178.866 176.870 -0.442 0.000 1.077 573 L CA 1.729 56.332 54.840 -0.396 0.000 0.747 573 L CB -1.817 40.141 42.059 -0.169 0.000 0.896 573 L HN 0.356 nan 8.230 nan 0.000 0.432 574 Y N 0.219 120.095 120.300 -0.707 0.000 2.293 574 Y HA -0.247 4.303 4.550 -0.000 0.000 0.291 574 Y C 2.807 178.459 175.900 -0.413 0.000 1.137 574 Y CA 1.545 59.225 58.100 -0.700 0.000 1.202 574 Y CB -0.085 37.803 38.460 -0.954 0.000 0.990 574 Y HN 0.108 nan 8.280 nan 0.000 0.537 575 R N 0.794 121.113 120.500 -0.303 0.000 2.096 575 R HA -0.124 4.216 4.340 0.000 0.000 0.235 575 R C 1.846 177.993 176.300 -0.255 0.000 1.127 575 R CA 1.836 57.805 56.100 -0.218 0.000 0.968 575 R CB -0.380 29.840 30.300 -0.134 0.000 0.861 575 R HN 0.202 nan 8.270 nan 0.000 0.440 576 E N 0.335 120.325 120.200 -0.349 0.000 2.106 576 E HA -0.111 4.239 4.350 0.000 0.000 0.192 576 E C 1.905 178.393 176.600 -0.185 0.000 0.984 576 E CA 1.312 57.534 56.400 -0.296 0.000 0.806 576 E CB -0.448 29.003 29.700 -0.415 0.000 0.750 576 E HN 0.471 nan 8.360 nan 0.000 0.458 577 A N 1.638 124.353 122.820 -0.176 0.000 1.933 577 A HA -0.099 4.221 4.320 0.000 0.000 0.218 577 A C 2.436 180.005 177.584 -0.026 0.000 1.175 577 A CA 2.023 54.085 52.037 0.042 0.000 0.628 577 A CB -0.553 18.390 19.000 -0.094 0.000 0.814 577 A HN 0.269 nan 8.150 nan 0.000 0.444 578 A N -0.437 122.250 122.820 -0.221 0.000 1.972 578 A HA -0.150 4.170 4.320 0.000 0.000 0.219 578 A C 2.215 179.748 177.584 -0.086 0.000 1.169 578 A CA 1.482 53.428 52.037 -0.152 0.000 0.635 578 A CB -0.445 18.461 19.000 -0.157 0.000 0.810 578 A HN 0.547 nan 8.150 nan 0.000 0.446 579 R N -0.602 119.836 120.500 -0.104 0.000 2.096 579 R HA -0.110 4.230 4.340 0.000 0.000 0.235 579 R C 2.479 178.718 176.300 -0.102 0.000 1.127 579 R CA 1.187 57.229 56.100 -0.098 0.000 0.968 579 R CB -0.430 29.803 30.300 -0.111 0.000 0.861 579 R HN 0.529 nan 8.270 nan 0.000 0.440 580 A N 1.390 124.138 122.820 -0.120 0.000 1.908 580 A HA -0.232 4.088 4.320 0.000 0.000 0.218 580 A C 1.948 179.482 177.584 -0.083 0.000 1.181 580 A CA 1.705 53.639 52.037 -0.171 0.000 0.627 580 A CB -0.788 17.966 19.000 -0.411 0.000 0.818 580 A HN 0.442 nan 8.150 nan 0.000 0.445 581 N N 0.043 118.747 118.700 0.007 0.000 2.244 581 N HA -0.068 4.672 4.740 0.000 0.000 0.183 581 N C 1.771 177.255 175.510 -0.043 0.000 1.016 581 N CA 1.302 54.357 53.050 0.008 0.000 0.866 581 N CB -0.139 38.378 38.487 0.050 0.000 0.980 581 N HN 0.381 nan 8.380 nan 0.000 0.430 582 A N 0.434 123.223 122.820 -0.051 0.000 1.943 582 A HA 0.154 4.474 4.320 0.000 0.000 0.213 582 A C 2.034 179.576 177.584 -0.071 0.000 1.181 582 A CA 0.494 52.498 52.037 -0.057 0.000 0.653 582 A CB 0.118 19.088 19.000 -0.049 0.000 0.833 582 A HN 0.223 nan 8.150 nan 0.000 0.451 583 R N -2.033 118.418 120.500 -0.082 0.000 2.531 583 R HA 0.227 4.567 4.340 0.000 0.000 0.316 583 R C 0.915 177.154 176.300 -0.103 0.000 0.955 583 R CA 0.521 56.569 56.100 -0.086 0.000 1.120 583 R CB 0.607 30.860 30.300 -0.078 0.000 1.361 583 R HN 0.615 nan 8.270 nan 0.000 0.534 584 G N 1.754 110.480 108.800 -0.123 0.000 2.187 584 G HA2 -0.282 3.678 3.960 0.000 0.000 0.261 584 G HA3 -0.282 3.678 3.960 0.000 0.000 0.261 584 G C 0.129 174.939 174.900 -0.149 0.000 1.000 584 G CA 0.825 45.835 45.100 -0.150 0.000 0.718 584 G HN 0.255 nan 8.290 nan 0.000 0.519 585 T N 3.459 117.928 114.554 -0.142 0.000 2.752 585 T HA 0.457 4.807 4.350 0.000 0.000 0.295 585 T C -1.605 172.983 174.700 -0.187 0.000 0.923 585 T CA -0.450 61.566 62.100 -0.140 0.000 1.112 585 T CB 1.746 70.544 68.868 -0.117 0.000 0.884 585 T HN 0.269 nan 8.240 nan 0.000 0.525 586 P HA 0.176 nan 4.420 nan 0.000 0.272 586 P C 0.781 177.969 177.300 -0.186 0.000 1.230 586 P CA -0.338 62.621 63.100 -0.234 0.000 0.788 586 P CB 0.768 32.369 31.700 -0.165 0.000 0.949 587 M N 0.448 119.924 119.600 -0.207 0.000 2.200 587 M HA -0.013 4.467 4.480 0.000 0.000 0.265 587 M C 1.380 177.708 176.300 0.047 0.000 1.066 587 M CA 1.647 56.916 55.300 -0.051 0.000 1.127 587 M CB -0.078 32.551 32.600 0.049 0.000 1.379 587 M HN 0.363 nan 8.290 nan 0.000 0.420 588 M N 1.497 121.109 119.600 0.020 0.000 2.055 588 M HA 0.279 4.759 4.480 0.000 0.000 0.347 588 M C -1.048 175.247 176.300 -0.010 0.000 1.123 588 M CA -0.106 55.208 55.300 0.024 0.000 1.035 588 M CB 0.445 32.976 32.600 -0.116 0.000 1.484 588 M HN 0.014 nan 8.290 nan 0.000 0.428 589 R N 3.635 124.187 120.500 0.087 0.000 2.393 589 R HA 0.653 4.993 4.340 0.000 0.000 0.310 589 R C -0.198 176.145 176.300 0.071 0.000 0.968 589 R CA -0.688 55.433 56.100 0.035 0.000 0.867 589 R CB 1.485 31.803 30.300 0.029 0.000 1.124 589 R HN 0.791 nan 8.270 nan 0.000 0.450 590 A N 3.770 126.585 122.820 -0.009 0.000 2.498 590 A HA 0.020 4.340 4.320 0.000 0.000 0.239 590 A C 1.410 179.013 177.584 0.031 0.000 1.068 590 A CA -0.220 51.816 52.037 -0.002 0.000 0.766 590 A CB 0.197 19.138 19.000 -0.098 0.000 1.003 590 A HN 0.794 nan 8.150 nan 0.000 0.497 591 M N 1.960 121.610 119.600 0.084 0.000 2.144 591 M HA -0.248 4.232 4.480 0.000 0.000 0.260 591 M C 2.017 178.399 176.300 0.138 0.000 1.067 591 M CA 2.486 57.886 55.300 0.167 0.000 1.095 591 M CB -1.494 31.179 32.600 0.122 0.000 1.365 591 M HN 1.010 nan 8.290 nan 0.000 0.406 592 M N -1.183 118.403 119.600 -0.024 0.000 2.213 592 M HA -0.118 4.362 4.480 0.000 0.000 0.263 592 M C 2.097 178.316 176.300 -0.135 0.000 1.062 592 M CA 1.776 57.009 55.300 -0.112 0.000 1.105 592 M CB -0.973 31.425 32.600 -0.336 0.000 1.385 592 M HN 0.230 nan 8.290 nan 0.000 0.417 593 M N -0.185 119.321 119.600 -0.157 0.000 2.175 593 M HA -0.143 4.337 4.480 0.000 0.000 0.264 593 M C 1.897 178.118 176.300 -0.130 0.000 1.063 593 M CA 1.986 57.193 55.300 -0.155 0.000 1.119 593 M CB -0.037 32.476 32.600 -0.144 0.000 1.377 593 M HN 0.470 nan 8.290 nan 0.000 0.415 594 E N -0.259 119.874 120.200 -0.111 0.000 2.250 594 E HA -0.002 4.348 4.350 0.000 0.000 0.192 594 E C -0.348 175.902 176.600 -0.584 0.000 0.986 594 E CA 0.895 57.104 56.400 -0.318 0.000 0.849 594 E CB 0.244 29.769 29.700 -0.290 0.000 0.797 594 E HN 0.502 nan 8.360 nan 0.000 0.482 595 F N 0.434 120.393 119.950 0.015 0.000 2.564 595 F HA 0.324 4.851 4.527 -0.000 0.000 0.329 595 F C -1.813 173.990 175.800 0.003 0.000 1.458 595 F CA -1.781 56.242 58.000 0.038 0.000 1.117 595 F CB 1.658 40.714 39.000 0.093 0.000 1.383 595 F HN -0.016 nan 8.300 nan 0.000 0.571 596 P HA -0.125 nan 4.420 nan 0.000 0.223 596 P C 0.680 178.004 177.300 0.041 0.000 1.151 596 P CA 1.338 64.446 63.100 0.012 0.000 0.787 596 P CB 0.454 32.133 31.700 -0.035 0.000 0.788 597 D N -0.508 119.939 120.400 0.079 0.000 2.355 597 D HA -0.026 4.614 4.640 0.000 0.000 0.218 597 D C 0.267 176.621 176.300 0.090 0.000 1.004 597 D CA 0.728 54.773 54.000 0.076 0.000 0.880 597 D CB -0.118 40.731 40.800 0.082 0.000 0.911 597 D HN 0.169 nan 8.370 nan 0.000 0.528 598 D N 0.870 121.340 120.400 0.117 0.000 2.359 598 D HA 0.083 4.723 4.640 0.000 0.000 0.230 598 D C -1.508 174.813 176.300 0.034 0.000 1.118 598 D CA -2.133 51.928 54.000 0.102 0.000 0.844 598 D CB 1.935 42.830 40.800 0.158 0.000 1.059 598 D HN -0.073 nan 8.370 nan 0.000 0.493 599 P HA -0.088 nan 4.420 nan 0.000 0.222 599 P C 0.945 178.221 177.300 -0.039 0.000 1.147 599 P CA 0.487 63.590 63.100 0.005 0.000 0.790 599 P CB 0.262 31.975 31.700 0.022 0.000 0.780 600 A N -0.639 122.099 122.820 -0.137 0.000 2.121 600 A HA -0.091 4.229 4.320 0.000 0.000 0.218 600 A C 2.180 179.533 177.584 -0.385 0.000 1.154 600 A CA 1.074 52.902 52.037 -0.348 0.000 0.679 600 A CB -1.495 17.025 19.000 -0.801 0.000 0.795 600 A HN 0.260 nan 8.150 nan 0.000 0.458 601 C N -0.255 118.907 119.300 -0.230 0.000 2.618 601 C HA 0.054 4.514 4.460 0.000 0.000 0.264 601 C C 1.822 176.789 174.990 -0.038 0.000 1.334 601 C CA 0.036 58.985 59.018 -0.115 0.000 1.731 601 C CB -0.958 26.784 27.740 0.003 0.000 1.852 601 C HN 0.565 nan 8.230 nan 0.000 0.566 602 D N 0.899 121.272 120.400 -0.045 0.000 2.133 602 D HA -0.155 4.485 4.640 0.000 0.000 0.195 602 D C 1.057 177.219 176.300 -0.230 0.000 0.997 602 D CA 1.775 55.691 54.000 -0.141 0.000 0.840 602 D CB -0.188 40.447 40.800 -0.275 0.000 0.947 602 D HN 0.584 nan 8.370 nan 0.000 0.452 603 Y N -0.364 119.984 120.300 0.080 0.000 2.531 603 Y HA 0.302 4.852 4.550 -0.000 0.000 0.249 603 Y C 0.435 176.383 175.900 0.080 0.000 1.168 603 Y CA -0.393 57.750 58.100 0.072 0.000 1.226 603 Y CB 0.235 38.715 38.460 0.032 0.000 1.177 603 Y HN -0.199 nan 8.280 nan 0.000 0.527 604 L N 2.847 124.172 121.223 0.170 0.000 2.477 604 L HA 0.058 4.398 4.340 0.000 0.000 0.272 604 L C 0.356 177.292 176.870 0.110 0.000 1.157 604 L CA 0.407 55.324 54.840 0.129 0.000 0.889 604 L CB 0.467 42.548 42.059 0.036 0.000 1.158 604 L HN 0.324 nan 8.230 nan 0.000 0.473 605 D N 1.573 122.037 120.400 0.106 0.000 2.525 605 D HA 0.009 4.649 4.640 0.000 0.000 0.231 605 D C 1.104 177.436 176.300 0.052 0.000 1.216 605 D CA -0.197 53.845 54.000 0.070 0.000 0.813 605 D CB 0.336 41.166 40.800 0.050 0.000 1.108 605 D HN 0.391 nan 8.370 nan 0.000 0.524 606 R N 0.373 120.920 120.500 0.077 0.000 2.472 606 R HA 0.214 4.554 4.340 0.000 0.000 0.279 606 R C 0.387 176.802 176.300 0.191 0.000 0.953 606 R CA 0.043 56.208 56.100 0.107 0.000 1.088 606 R CB 0.736 31.075 30.300 0.066 0.000 1.197 606 R HN 0.387 nan 8.270 nan 0.000 0.536 607 Q N -0.117 119.765 119.800 0.137 0.000 2.553 607 Q HA 0.449 4.789 4.340 0.000 0.000 0.293 607 Q C -1.398 174.713 176.000 0.185 0.000 1.038 607 Q CA -1.159 54.682 55.803 0.064 0.000 0.777 607 Q CB 1.757 30.467 28.738 -0.047 0.000 1.487 607 Q HN 0.064 nan 8.270 nan 0.000 0.426 608 Y N -2.039 118.268 120.300 0.012 0.000 2.689 608 Y HA 0.662 5.212 4.550 0.000 0.000 0.333 608 Y C -1.474 174.470 175.900 0.074 0.000 1.208 608 Y CA -1.600 56.528 58.100 0.046 0.000 1.055 608 Y CB 1.334 39.835 38.460 0.068 0.000 1.304 608 Y HN 0.506 nan 8.280 nan 0.000 0.455 609 M N 3.054 122.830 119.600 0.293 0.000 2.238 609 M HA 0.353 4.833 4.480 0.000 0.000 0.350 609 M C -1.230 175.282 176.300 0.352 0.000 1.138 609 M CA -0.694 54.753 55.300 0.244 0.000 1.040 609 M CB 1.422 34.165 32.600 0.239 0.000 1.639 609 M HN 0.755 nan 8.290 nan 0.000 0.451 610 L N 3.923 125.340 121.223 0.323 0.000 2.272 610 L HA 0.651 4.991 4.340 0.000 0.000 0.284 610 L C 0.469 177.516 176.870 0.296 0.000 1.045 610 L CA 0.717 55.779 54.840 0.370 0.000 0.842 610 L CB 0.094 42.403 42.059 0.416 0.000 1.224 610 L HN 0.961 nan 8.230 nan 0.000 0.430 611 G N 4.014 112.909 108.800 0.159 0.000 2.750 611 G HA2 -0.296 3.664 3.960 0.000 0.000 0.228 611 G HA3 -0.296 3.664 3.960 0.000 0.000 0.228 611 G C 0.353 175.341 174.900 0.146 0.000 1.367 611 G CA 0.040 45.178 45.100 0.063 0.000 0.871 611 G HN 0.572 nan 8.290 nan 0.000 0.560 612 D N 0.410 120.883 120.400 0.121 0.000 2.182 612 D HA -0.055 4.585 4.640 0.000 0.000 0.201 612 D C 2.062 178.443 176.300 0.135 0.000 0.986 612 D CA 1.694 55.748 54.000 0.092 0.000 0.847 612 D CB 0.016 40.853 40.800 0.062 0.000 0.942 612 D HN 0.390 nan 8.370 nan 0.000 0.467 613 N N -0.517 118.317 118.700 0.224 0.000 2.210 613 N HA 0.037 4.777 4.740 0.000 0.000 0.203 613 N C -0.061 175.480 175.510 0.052 0.000 1.175 613 N CA 0.032 53.125 53.050 0.072 0.000 0.894 613 N CB 2.220 40.676 38.487 -0.052 0.000 1.041 613 N HN 0.073 nan 8.380 nan 0.000 0.506 614 V N 1.211 121.212 119.914 0.145 0.000 2.487 614 V HA 0.500 4.620 4.120 0.000 0.000 0.298 614 V C -0.597 175.575 176.094 0.131 0.000 1.028 614 V CA -0.755 61.606 62.300 0.101 0.000 0.860 614 V CB 2.100 33.887 31.823 -0.061 0.000 0.991 614 V HN -0.082 nan 8.190 nan 0.000 0.427 615 M N 7.399 127.061 119.600 0.103 0.000 2.108 615 M HA 0.496 4.976 4.480 0.000 0.000 0.354 615 M C -1.037 175.095 176.300 -0.280 0.000 1.229 615 M CA -0.138 55.096 55.300 -0.110 0.000 1.081 615 M CB 1.066 33.481 32.600 -0.309 0.000 1.606 615 M HN 0.874 nan 8.290 nan 0.000 0.467 616 V N 5.545 125.180 119.914 -0.464 0.000 2.448 616 V HA 0.881 5.001 4.120 0.000 0.000 0.295 616 V C -0.953 174.763 176.094 -0.630 0.000 1.025 616 V CA -0.375 61.576 62.300 -0.582 0.000 0.859 616 V CB 1.424 32.960 31.823 -0.477 0.000 0.988 616 V HN 0.956 nan 8.190 nan 0.000 0.431 617 A N 7.750 130.293 122.820 -0.460 0.000 2.431 617 A HA 0.848 5.168 4.320 0.000 0.000 0.318 617 A C -2.760 174.668 177.584 -0.260 0.000 1.330 617 A CA -1.774 50.078 52.037 -0.310 0.000 0.804 617 A CB 0.783 19.591 19.000 -0.320 0.000 1.135 617 A HN 0.754 nan 8.150 nan 0.000 0.483 618 P HA 0.156 nan 4.420 nan 0.000 0.268 618 P C -0.331 176.649 177.300 -0.534 0.000 1.208 618 P CA 0.059 62.887 63.100 -0.454 0.000 0.777 618 P CB 0.774 31.979 31.700 -0.825 0.000 0.875 619 V N 3.720 123.364 119.914 -0.451 0.000 2.383 619 V HA 0.188 4.308 4.120 0.000 0.000 0.275 619 V C 0.360 176.189 176.094 -0.441 0.000 1.036 619 V CA 0.211 62.342 62.300 -0.283 0.000 0.889 619 V CB 0.173 31.938 31.823 -0.097 0.000 0.985 619 V HN 0.453 nan 8.190 nan 0.000 0.459 620 F N 2.593 122.441 119.950 -0.170 0.000 2.668 620 F HA 0.256 4.783 4.527 0.000 0.000 0.297 620 F C 1.115 176.338 175.800 -0.961 0.000 1.124 620 F CA -0.243 57.513 58.000 -0.406 0.000 1.353 620 F CB 0.402 39.286 39.000 -0.193 0.000 0.992 620 F HN 0.562 nan 8.300 nan 0.000 0.524 621 T N -4.540 109.669 114.554 -0.575 0.000 2.909 621 T HA 0.260 4.610 4.350 0.000 0.000 0.299 621 T C 0.734 175.354 174.700 -0.133 0.000 1.073 621 T CA -0.723 61.106 62.100 -0.452 0.000 0.999 621 T CB 2.325 71.103 68.868 -0.150 0.000 1.098 621 T HN 0.186 nan 8.240 nan 0.000 0.477 622 E N 1.301 121.531 120.200 0.049 0.000 2.077 622 E HA -0.131 4.219 4.350 0.000 0.000 0.193 622 E C 2.201 178.820 176.600 0.033 0.000 0.989 622 E CA 1.360 57.833 56.400 0.122 0.000 0.800 622 E CB -0.437 29.094 29.700 -0.282 0.000 0.746 622 E HN 0.815 nan 8.360 nan 0.000 0.452 623 A N -0.040 122.766 122.820 -0.022 0.000 2.070 623 A HA 0.027 4.347 4.320 0.000 0.000 0.220 623 A C 1.950 179.482 177.584 -0.087 0.000 1.159 623 A CA 1.568 53.578 52.037 -0.045 0.000 0.656 623 A CB -0.608 18.379 19.000 -0.022 0.000 0.800 623 A HN 0.588 nan 8.150 nan 0.000 0.453 624 G N -1.058 107.696 108.800 -0.077 0.000 2.176 624 G HA2 -0.176 3.784 3.960 0.000 0.000 0.232 624 G HA3 -0.176 3.784 3.960 0.000 0.000 0.232 624 G C -0.357 174.565 174.900 0.037 0.000 0.986 624 G CA 0.113 45.181 45.100 -0.053 0.000 0.643 624 G HN 0.517 nan 8.290 nan 0.000 0.522 625 D N 0.150 120.566 120.400 0.026 0.000 2.414 625 D HA 0.464 5.104 4.640 0.000 0.000 0.242 625 D C 0.076 176.439 176.300 0.106 0.000 1.129 625 D CA 0.713 54.752 54.000 0.066 0.000 0.885 625 D CB 2.403 43.223 40.800 0.034 0.000 1.198 625 D HN 0.501 nan 8.370 nan 0.000 0.437 626 V N 1.637 121.656 119.914 0.176 0.000 3.000 626 V HA 0.220 4.340 4.120 0.000 0.000 0.300 626 V C -1.810 174.467 176.094 0.304 0.000 1.251 626 V CA -0.567 61.878 62.300 0.241 0.000 0.972 626 V CB 2.346 34.322 31.823 0.255 0.000 1.065 626 V HN 0.491 nan 8.190 nan 0.000 0.431 627 Q N 4.914 124.914 119.800 0.333 0.000 2.356 627 Q HA 0.775 5.115 4.340 0.000 0.000 0.270 627 Q C -1.612 174.684 176.000 0.494 0.000 1.058 627 Q CA -0.490 55.512 55.803 0.332 0.000 0.802 627 Q CB 2.696 31.603 28.738 0.281 0.000 1.303 627 Q HN 0.733 nan 8.270 nan 0.000 0.444 628 F N -0.980 119.103 119.950 0.222 0.000 2.668 628 F HA 0.548 5.075 4.527 -0.000 0.000 0.309 628 F C -1.794 173.661 175.800 -0.574 0.000 1.117 628 F CA -1.373 56.500 58.000 -0.212 0.000 0.951 628 F CB 0.931 39.811 39.000 -0.199 0.000 1.323 628 F HN 0.459 nan 8.300 nan 0.000 0.451 629 Y N 2.632 122.306 120.300 -1.043 0.000 2.323 629 Y HA 0.734 5.284 4.550 0.000 0.000 0.331 629 Y C -1.627 173.900 175.900 -0.621 0.000 1.092 629 Y CA -1.209 56.204 58.100 -1.146 0.000 1.150 629 Y CB 1.385 38.949 38.460 -1.493 0.000 1.200 629 Y HN 0.704 nan 8.280 nan 0.000 0.472 630 L N 9.109 129.517 121.223 -1.359 0.000 2.305 630 L HA 0.539 4.879 4.340 0.000 0.000 0.284 630 L C -2.280 173.730 176.870 -1.433 0.000 1.013 630 L CA -2.882 51.154 54.840 -1.341 0.000 0.819 630 L CB 1.201 42.606 42.059 -1.090 0.000 1.227 630 L HN 0.615 nan 8.230 nan 0.000 0.417 631 P HA 0.003 nan 4.420 nan 0.000 0.272 631 P C -0.391 176.886 177.300 -0.039 0.000 1.248 631 P CA -0.401 62.403 63.100 -0.493 0.000 0.799 631 P CB 0.458 31.548 31.700 -1.017 0.000 0.997 632 E N 0.243 120.474 120.200 0.052 0.000 2.502 632 E HA 0.284 4.634 4.350 0.000 0.000 0.261 632 E C 0.206 176.898 176.600 0.152 0.000 0.974 632 E CA 0.552 57.020 56.400 0.114 0.000 0.936 632 E CB -0.441 29.324 29.700 0.109 0.000 0.926 632 E HN 0.639 nan 8.360 nan 0.000 0.459 633 G N 3.125 111.988 108.800 0.104 0.000 2.354 633 G HA2 -0.108 3.852 3.960 0.000 0.000 0.582 633 G HA3 -0.108 3.852 3.960 0.000 0.000 0.582 633 G C -1.247 173.668 174.900 0.026 0.000 1.316 633 G CA -0.574 44.513 45.100 -0.022 0.000 0.995 633 G HN 0.621 nan 8.290 nan 0.000 0.573 634 R N -0.224 120.229 120.500 -0.078 0.000 2.215 634 R HA 0.556 4.896 4.340 0.000 0.000 0.336 634 R C -0.939 175.344 176.300 -0.029 0.000 0.996 634 R CA -0.708 55.405 56.100 0.022 0.000 0.847 634 R CB 0.496 30.809 30.300 0.022 0.000 1.127 634 R HN 0.464 nan 8.270 nan 0.000 0.465 635 W N 2.308 123.603 121.300 -0.009 0.000 2.512 635 W HA 0.382 5.042 4.660 -0.000 0.000 0.335 635 W C -0.178 176.451 176.519 0.184 0.000 1.088 635 W CA -0.277 57.089 57.345 0.034 0.000 1.236 635 W CB 2.163 31.588 29.460 -0.059 0.000 1.307 635 W HN 0.349 nan 8.180 nan 0.000 0.567 636 T N 1.907 116.711 114.554 0.416 0.000 2.848 636 T HA 0.103 4.453 4.350 0.000 0.000 0.285 636 T C -0.723 174.061 174.700 0.140 0.000 0.995 636 T CA -0.638 61.684 62.100 0.371 0.000 0.970 636 T CB 0.986 70.125 68.868 0.452 0.000 0.976 636 T HN 0.268 nan 8.240 nan 0.000 0.441 637 H N 3.011 121.986 119.070 -0.158 0.000 2.886 637 H HA 0.090 4.646 4.556 0.000 0.000 0.329 637 H C 0.889 176.008 175.328 -0.348 0.000 1.044 637 H CA -0.472 55.144 56.048 -0.719 0.000 1.456 637 H CB 0.877 30.199 29.762 -0.733 0.000 1.464 637 H HN 0.506 nan 8.280 nan 0.000 0.573 638 L N 6.016 126.921 121.223 -0.530 0.000 2.081 638 L HA -0.179 4.161 4.340 0.000 0.000 0.212 638 L C 1.687 178.693 176.870 0.227 0.000 1.080 638 L CA 2.252 57.038 54.840 -0.090 0.000 0.754 638 L CB -0.503 41.524 42.059 -0.053 0.000 0.893 638 L HN 0.840 nan 8.230 nan 0.000 0.433 639 W N -4.766 116.647 121.300 0.189 0.000 2.661 639 W HA 0.274 4.934 4.660 -0.000 0.000 0.288 639 W C 1.764 178.309 176.519 0.043 0.000 1.014 639 W CA -0.085 57.306 57.345 0.076 0.000 1.396 639 W CB -0.681 28.796 29.460 0.027 0.000 0.963 639 W HN -0.057 nan 8.180 nan 0.000 0.584 640 H N 1.065 119.981 119.070 -0.258 0.000 2.535 640 H HA 0.056 4.612 4.556 -0.000 0.000 0.273 640 H C 0.804 176.096 175.328 -0.059 0.000 0.983 640 H CA 1.118 56.992 56.048 -0.290 0.000 1.238 640 H CB -0.259 29.081 29.762 -0.704 0.000 1.412 640 H HN 0.200 nan 8.280 nan 0.000 0.562 641 N N 1.056 119.843 118.700 0.145 0.000 2.900 641 N HA -0.173 4.567 4.740 0.000 0.000 0.240 641 N C -0.520 175.091 175.510 0.168 0.000 0.953 641 N CA 1.107 54.259 53.050 0.171 0.000 0.950 641 N CB -0.968 37.606 38.487 0.145 0.000 1.102 641 N HN 0.679 nan 8.380 nan 0.000 0.593 642 D N 0.173 120.670 120.400 0.162 0.000 2.362 642 D HA 0.103 4.743 4.640 0.000 0.000 0.242 642 D C -0.156 176.309 176.300 0.275 0.000 1.132 642 D CA 0.382 54.487 54.000 0.176 0.000 0.907 642 D CB 0.879 41.761 40.800 0.136 0.000 1.195 642 D HN 0.305 nan 8.370 nan 0.000 0.429 643 E N 0.393 120.723 120.200 0.215 0.000 2.212 643 E HA 0.554 4.904 4.350 0.000 0.000 0.268 643 E C -0.761 175.922 176.600 0.138 0.000 0.902 643 E CA -0.851 55.679 56.400 0.216 0.000 0.779 643 E CB 2.102 31.895 29.700 0.155 0.000 1.172 643 E HN 0.368 nan 8.360 nan 0.000 0.409 644 L N 2.087 123.366 121.223 0.093 0.000 2.401 644 L HA 0.400 4.740 4.340 0.000 0.000 0.266 644 L C -0.703 176.187 176.870 0.033 0.000 0.991 644 L CA -1.050 53.741 54.840 -0.083 0.000 0.818 644 L CB 2.026 43.746 42.059 -0.564 0.000 1.321 644 L HN 0.382 nan 8.230 nan 0.000 0.413 645 D N 1.667 122.113 120.400 0.077 0.000 2.304 645 D HA 0.323 4.963 4.640 0.000 0.000 0.250 645 D C 0.238 176.625 176.300 0.145 0.000 1.107 645 D CA 0.157 54.228 54.000 0.119 0.000 0.885 645 D CB 2.264 43.117 40.800 0.088 0.000 1.192 645 D HN 0.679 nan 8.370 nan 0.000 0.436 646 G N -0.322 108.559 108.800 0.136 0.000 2.531 646 G HA2 0.289 4.249 3.960 0.000 0.000 0.253 646 G HA3 0.289 4.249 3.960 0.000 0.000 0.253 646 G C 0.244 175.103 174.900 -0.068 0.000 1.439 646 G CA -0.325 44.778 45.100 0.004 0.000 1.056 646 G HN 0.472 nan 8.290 nan 0.000 0.555 647 S N -1.866 113.732 115.700 -0.170 0.000 3.490 647 S HA -0.178 4.292 4.470 0.000 0.000 0.301 647 S C 0.330 174.940 174.600 0.017 0.000 1.233 647 S CA 1.781 59.963 58.200 -0.029 0.000 0.914 647 S CB -1.357 61.877 63.200 0.056 0.000 1.047 647 S HN 1.168 nan 8.310 nan 0.000 0.602 648 R N -2.141 118.196 120.500 -0.271 0.000 2.712 648 R HA 0.600 4.940 4.340 0.000 0.000 0.272 648 R C -1.476 174.644 176.300 -0.300 0.000 1.032 648 R CA -1.188 54.857 56.100 -0.091 0.000 0.874 648 R CB 0.273 30.482 30.300 -0.152 0.000 1.256 648 R HN 0.081 nan 8.270 nan 0.000 0.468 649 W N 0.981 122.129 121.300 -0.255 0.000 2.215 649 W HA 0.437 5.097 4.660 -0.000 0.000 0.342 649 W C 0.432 176.508 176.519 -0.738 0.000 1.237 649 W CA 0.527 57.665 57.345 -0.345 0.000 1.283 649 W CB 0.765 30.119 29.460 -0.176 0.000 1.131 649 W HN 0.314 nan 8.180 nan 0.000 0.606 650 H N 0.995 119.813 119.070 -0.420 0.000 2.928 650 H HA 0.384 4.940 4.556 -0.000 0.000 0.371 650 H C -1.156 173.879 175.328 -0.488 0.000 1.186 650 H CA -1.169 54.550 56.048 -0.547 0.000 1.134 650 H CB 2.614 31.849 29.762 -0.878 0.000 1.824 650 H HN 0.260 nan 8.280 nan 0.000 0.554 651 K N 1.775 122.111 120.400 -0.108 0.000 2.443 651 K HA 0.401 4.721 4.320 0.000 0.000 0.252 651 K C -1.266 175.384 176.600 0.082 0.000 0.933 651 K CA -0.426 55.863 56.287 0.004 0.000 0.792 651 K CB 2.001 34.500 32.500 -0.000 0.000 1.185 651 K HN 0.632 nan 8.250 nan 0.000 0.425 652 Q N 1.793 121.702 119.800 0.181 0.000 2.565 652 Q HA 0.236 4.576 4.340 0.000 0.000 0.294 652 Q C -1.736 174.357 176.000 0.156 0.000 1.005 652 Q CA -1.033 54.885 55.803 0.191 0.000 0.771 652 Q CB 2.904 31.879 28.738 0.395 0.000 1.486 652 Q HN 0.581 nan 8.270 nan 0.000 0.422 653 Q N 0.956 120.763 119.800 0.012 0.000 2.321 653 Q HA 0.371 4.711 4.340 0.000 0.000 0.270 653 Q C -1.654 174.233 176.000 -0.190 0.000 1.032 653 Q CA -0.388 55.403 55.803 -0.019 0.000 0.784 653 Q CB 1.379 30.089 28.738 -0.047 0.000 1.264 653 Q HN 0.583 nan 8.270 nan 0.000 0.448 654 H N 1.738 120.793 119.070 -0.025 0.000 2.600 654 H HA 0.377 4.933 4.556 0.000 0.000 0.357 654 H C -0.190 175.070 175.328 -0.113 0.000 1.106 654 H CA -0.422 55.611 56.048 -0.025 0.000 1.193 654 H CB 2.112 31.899 29.762 0.041 0.000 1.594 654 H HN 0.887 nan 8.280 nan 0.000 0.526 655 G N 0.664 109.457 108.800 -0.012 0.000 2.621 655 G HA2 0.118 4.078 3.960 0.000 0.000 0.271 655 G HA3 0.118 4.078 3.960 0.000 0.000 0.271 655 G C 0.344 175.213 174.900 -0.050 0.000 1.236 655 G CA -0.399 44.630 45.100 -0.118 0.000 0.958 655 G HN 0.489 nan 8.290 nan 0.000 0.512 656 F N -1.029 119.034 119.950 0.188 0.000 2.494 656 F HA 0.040 4.567 4.527 -0.000 0.000 0.298 656 F C 2.080 178.045 175.800 0.276 0.000 1.106 656 F CA 0.303 58.439 58.000 0.227 0.000 1.452 656 F CB 0.040 39.169 39.000 0.215 0.000 1.085 656 F HN 0.067 nan 8.300 nan 0.000 0.569 657 L N -1.419 119.974 121.223 0.284 0.000 2.653 657 L HA 0.237 4.577 4.340 0.000 0.000 0.231 657 L C 0.550 177.511 176.870 0.152 0.000 1.153 657 L CA 0.093 54.934 54.840 0.001 0.000 0.933 657 L CB -0.822 41.044 42.059 -0.322 0.000 1.175 657 L HN -0.035 nan 8.230 nan 0.000 0.473 658 S N -0.385 115.611 115.700 0.493 0.000 2.651 658 S HA 0.917 5.387 4.470 0.000 0.000 0.279 658 S C -1.275 173.594 174.600 0.450 0.000 1.148 658 S CA -0.560 58.051 58.200 0.685 0.000 0.837 658 S CB 1.383 65.029 63.200 0.743 0.000 1.138 658 S HN 0.113 nan 8.310 nan 0.000 0.478 659 L N -1.244 120.079 121.223 0.167 0.000 2.947 659 L HA 0.668 5.008 4.340 0.000 0.000 0.267 659 L C -3.180 173.367 176.870 -0.537 0.000 1.004 659 L CA -2.240 52.343 54.840 -0.429 0.000 0.937 659 L CB 1.454 43.423 42.059 -0.150 0.000 1.496 659 L HN 0.347 nan 8.230 nan 0.000 0.409 660 P HA 0.198 nan 4.420 nan 0.000 0.264 660 P C -0.942 176.041 177.300 -0.528 0.000 1.229 660 P CA 0.145 62.950 63.100 -0.491 0.000 0.780 660 P CB 0.703 31.818 31.700 -0.974 0.000 0.808 661 V N 5.935 125.345 119.914 -0.841 0.000 2.398 661 V HA 0.313 4.433 4.120 0.000 0.000 0.282 661 V C -0.758 174.721 176.094 -1.025 0.000 1.014 661 V CA -0.540 61.319 62.300 -0.736 0.000 0.838 661 V CB 0.396 31.901 31.823 -0.530 0.000 1.018 661 V HN 0.369 nan 8.190 nan 0.000 0.432 662 Y N 2.575 122.607 120.300 -0.446 0.000 2.393 662 Y HA 0.661 5.211 4.550 -0.000 0.000 0.341 662 Y C 0.116 176.027 175.900 0.018 0.000 0.988 662 Y CA -0.853 57.118 58.100 -0.215 0.000 1.078 662 Y CB 2.323 40.694 38.460 -0.147 0.000 1.203 662 Y HN 0.392 nan 8.280 nan 0.000 0.453 663 V N 4.860 124.767 119.914 -0.012 0.000 2.427 663 V HA 0.442 4.562 4.120 0.000 0.000 0.286 663 V C 0.066 175.972 176.094 -0.313 0.000 1.034 663 V CA -1.156 60.949 62.300 -0.326 0.000 0.893 663 V CB 1.075 32.204 31.823 -1.157 0.000 0.982 663 V HN 0.772 nan 8.190 nan 0.000 0.452 664 R N 2.373 122.500 120.500 -0.621 0.000 2.637 664 R HA 0.326 4.666 4.340 0.000 0.000 0.269 664 R C -0.354 175.565 176.300 -0.634 0.000 1.089 664 R CA -0.677 54.675 56.100 -1.247 0.000 1.177 664 R CB 0.362 29.876 30.300 -1.309 0.000 1.091 664 R HN 0.759 nan 8.270 nan 0.000 0.540 665 D N 0.196 120.240 120.400 -0.593 0.000 2.369 665 D HA -0.061 4.579 4.640 0.000 0.000 0.241 665 D C -0.232 175.958 176.300 -0.184 0.000 1.271 665 D CA -0.412 53.424 54.000 -0.273 0.000 0.942 665 D CB 0.032 40.681 40.800 -0.251 0.000 1.129 665 D HN 0.672 nan 8.370 nan 0.000 0.476 666 N N -1.413 117.231 118.700 -0.093 0.000 2.727 666 N HA -0.158 4.582 4.740 0.000 0.000 0.249 666 N C -0.906 174.605 175.510 0.001 0.000 1.048 666 N CA 1.027 54.052 53.050 -0.042 0.000 0.714 666 N CB -1.676 36.775 38.487 -0.060 0.000 0.959 666 N HN 0.537 nan 8.380 nan 0.000 0.544 667 T N 0.834 115.418 114.554 0.050 0.000 2.841 667 T HA 0.539 4.889 4.350 0.000 0.000 0.283 667 T C -0.197 174.630 174.700 0.211 0.000 1.000 667 T CA -0.581 61.566 62.100 0.078 0.000 0.977 667 T CB 2.292 71.141 68.868 -0.032 0.000 0.979 667 T HN 0.125 nan 8.240 nan 0.000 0.446 668 L N 4.422 125.748 121.223 0.172 0.000 2.319 668 L HA 0.716 5.056 4.340 0.000 0.000 0.281 668 L C -1.455 175.574 176.870 0.265 0.000 1.005 668 L CA -0.885 54.089 54.840 0.223 0.000 0.828 668 L CB 0.989 43.120 42.059 0.121 0.000 1.227 668 L HN 0.525 nan 8.230 nan 0.000 0.415 669 L N 4.632 126.064 121.223 0.348 0.000 2.346 669 L HA 0.887 5.227 4.340 0.000 0.000 0.274 669 L C -0.373 176.676 176.870 0.299 0.000 1.007 669 L CA -0.241 54.752 54.840 0.255 0.000 0.818 669 L CB 1.874 44.035 42.059 0.170 0.000 1.284 669 L HN 0.737 nan 8.230 nan 0.000 0.424 670 A N 6.049 128.986 122.820 0.195 0.000 2.260 670 A HA 0.706 5.026 4.320 0.000 0.000 0.314 670 A C -1.031 176.560 177.584 0.011 0.000 1.257 670 A CA -0.483 51.546 52.037 -0.012 0.000 0.871 670 A CB 0.101 19.044 19.000 -0.095 0.000 1.166 670 A HN 0.674 nan 8.150 nan 0.000 0.522 671 L N 2.714 123.948 121.223 0.019 0.000 2.325 671 L HA 0.665 5.005 4.340 0.000 0.000 0.278 671 L C 0.946 177.849 176.870 0.054 0.000 1.023 671 L CA -0.743 54.128 54.840 0.052 0.000 0.811 671 L CB 1.936 44.042 42.059 0.078 0.000 1.249 671 L HN 0.790 nan 8.230 nan 0.000 0.431 672 G N 0.228 109.113 108.800 0.142 0.000 2.502 672 G HA2 0.188 4.148 3.960 0.000 0.000 0.305 672 G HA3 0.188 4.148 3.960 0.000 0.000 0.305 672 G C 0.345 175.367 174.900 0.204 0.000 1.190 672 G CA -0.500 44.775 45.100 0.291 0.000 0.933 672 G HN 0.775 nan 8.290 nan 0.000 0.503 673 N N -0.573 118.242 118.700 0.192 0.000 2.235 673 N HA 0.011 4.751 4.740 0.000 0.000 0.209 673 N C -0.179 175.244 175.510 -0.145 0.000 1.122 673 N CA -0.427 52.636 53.050 0.023 0.000 0.845 673 N CB 0.342 38.849 38.487 0.032 0.000 1.004 673 N HN 0.312 nan 8.380 nan 0.000 0.499 674 N N 1.151 119.614 118.700 -0.396 0.000 2.399 674 N HA 0.100 4.840 4.740 0.000 0.000 0.280 674 N C -1.012 174.253 175.510 -0.409 0.000 1.008 674 N CA -0.315 52.351 53.050 -0.640 0.000 0.894 674 N CB 1.578 39.239 38.487 -1.378 0.000 1.273 674 N HN 0.164 nan 8.380 nan 0.000 0.486 675 D N 1.818 122.087 120.400 -0.218 0.000 2.462 675 D HA 0.084 4.724 4.640 0.000 0.000 0.221 675 D C 0.253 176.524 176.300 -0.049 0.000 1.173 675 D CA 0.256 54.188 54.000 -0.114 0.000 0.831 675 D CB 0.503 41.235 40.800 -0.114 0.000 1.001 675 D HN 0.313 nan 8.370 nan 0.000 0.499 676 Q N 0.339 120.106 119.800 -0.056 0.000 2.378 676 Q HA 0.203 4.543 4.340 0.000 0.000 0.229 676 Q C 0.506 176.631 176.000 0.208 0.000 0.882 676 Q CA 0.479 56.312 55.803 0.049 0.000 0.936 676 Q CB 1.346 30.082 28.738 -0.003 0.000 1.092 676 Q HN 0.542 nan 8.270 nan 0.000 0.535 677 R N -0.730 119.829 120.500 0.099 0.000 2.739 677 R HA 0.415 4.755 4.340 0.000 0.000 0.271 677 R C -2.589 173.789 176.300 0.129 0.000 1.010 677 R CA -1.406 54.741 56.100 0.078 0.000 0.897 677 R CB 1.229 31.598 30.300 0.116 0.000 1.236 677 R HN -0.305 nan 8.270 nan 0.000 0.466 678 P HA -0.003 nan 4.420 nan 0.000 0.234 678 P C -0.768 176.790 177.300 0.429 0.000 1.175 678 P CA 0.731 63.992 63.100 0.268 0.000 0.801 678 P CB 0.159 31.933 31.700 0.123 0.000 0.891 679 D N 0.840 121.410 120.400 0.283 0.000 2.473 679 D HA 0.214 4.854 4.640 0.000 0.000 0.226 679 D C -0.171 176.119 176.300 -0.018 0.000 1.089 679 D CA -0.831 53.204 54.000 0.058 0.000 0.883 679 D CB 0.143 40.976 40.800 0.055 0.000 1.029 679 D HN 0.234 nan 8.370 nan 0.000 0.517 680 Y N -1.571 118.445 120.300 -0.473 0.000 2.840 680 Y HA 0.531 5.081 4.550 -0.000 0.000 0.324 680 Y C -0.803 174.635 175.900 -0.769 0.000 1.378 680 Y CA -1.733 56.099 58.100 -0.447 0.000 1.077 680 Y CB 0.487 38.837 38.460 -0.184 0.000 1.361 680 Y HN -0.097 nan 8.280 nan 0.000 0.459 681 V N 2.733 122.460 119.914 -0.311 0.000 2.302 681 V HA -0.063 4.057 4.120 0.000 0.000 0.244 681 V C 0.298 176.196 176.094 -0.326 0.000 1.160 681 V CA -0.376 61.671 62.300 -0.421 0.000 1.127 681 V CB -1.094 30.544 31.823 -0.310 0.000 1.253 681 V HN 0.798 nan 8.190 nan 0.000 0.496 682 W N 3.126 124.248 121.300 -0.296 0.000 2.374 682 W HA -0.122 4.538 4.660 -0.000 0.000 0.288 682 W C 2.230 178.693 176.519 -0.094 0.000 1.218 682 W CA 1.627 58.812 57.345 -0.266 0.000 1.245 682 W CB -0.682 28.619 29.460 -0.265 0.000 1.126 682 W HN 0.857 nan 8.180 nan 0.000 0.545 683 H N -0.708 118.444 119.070 0.138 0.000 2.547 683 H HA 0.241 4.797 4.556 -0.000 0.000 0.266 683 H C -0.566 174.787 175.328 0.042 0.000 0.988 683 H CA 0.459 56.553 56.048 0.076 0.000 1.147 683 H CB -0.385 29.423 29.762 0.076 0.000 1.365 683 H HN 0.110 nan 8.280 nan 0.000 0.589 684 E N 0.456 120.525 120.200 -0.218 0.000 2.145 684 E HA 0.383 4.733 4.350 0.000 0.000 0.270 684 E C 0.161 176.770 176.600 0.016 0.000 0.906 684 E CA -0.351 55.992 56.400 -0.094 0.000 0.761 684 E CB 1.628 31.227 29.700 -0.168 0.000 1.116 684 E HN 0.492 nan 8.360 nan 0.000 0.408 685 G N 3.075 111.914 108.800 0.066 0.000 2.143 685 G HA2 -0.279 3.681 3.960 0.000 0.000 0.248 685 G HA3 -0.279 3.681 3.960 0.000 0.000 0.248 685 G C 0.372 175.324 174.900 0.086 0.000 0.991 685 G CA 0.217 45.361 45.100 0.074 0.000 0.689 685 G HN 0.508 nan 8.290 nan 0.000 0.522 686 T N 0.750 115.349 114.554 0.076 0.000 2.946 686 T HA 0.473 4.823 4.350 0.000 0.000 0.311 686 T C 0.642 175.289 174.700 -0.089 0.000 1.063 686 T CA 0.780 62.827 62.100 -0.088 0.000 1.139 686 T CB 1.603 70.257 68.868 -0.357 0.000 0.994 686 T HN 1.513 nan 8.240 nan 0.000 0.547 687 A N 3.406 126.151 122.820 -0.124 0.000 2.267 687 A HA 0.657 4.977 4.320 0.000 0.000 0.315 687 A C -0.429 177.094 177.584 -0.102 0.000 1.297 687 A CA -0.759 51.259 52.037 -0.032 0.000 0.865 687 A CB -0.030 19.032 19.000 0.104 0.000 1.165 687 A HN 0.690 nan 8.150 nan 0.000 0.513 688 F N 1.823 121.827 119.950 0.091 0.000 2.375 688 F HA 0.401 4.928 4.527 -0.000 0.000 0.333 688 F C 0.981 176.714 175.800 -0.113 0.000 1.104 688 F CA 0.437 58.490 58.000 0.089 0.000 1.149 688 F CB 1.047 40.089 39.000 0.070 0.000 1.190 688 F HN 0.495 nan 8.300 nan 0.000 0.533 689 H N 3.233 122.442 119.070 0.232 0.000 2.744 689 H HA 0.332 4.888 4.556 0.000 0.000 0.339 689 H C -1.356 173.944 175.328 -0.046 0.000 1.004 689 H CA -0.876 55.169 56.048 -0.005 0.000 1.257 689 H CB 2.394 32.100 29.762 -0.094 0.000 1.552 689 H HN 0.393 nan 8.280 nan 0.000 0.522 690 L N 3.935 125.108 121.223 -0.083 0.000 2.282 690 L HA 0.398 4.738 4.340 0.000 0.000 0.288 690 L C -1.408 175.359 176.870 -0.172 0.000 1.033 690 L CA -0.209 54.621 54.840 -0.017 0.000 0.807 690 L CB 0.238 42.298 42.059 0.003 0.000 1.209 690 L HN 0.356 nan 8.230 nan 0.000 0.423 691 F N 4.215 124.187 119.950 0.038 0.000 2.477 691 F HA 0.397 4.924 4.527 0.000 0.000 0.335 691 F C 0.389 176.172 175.800 -0.027 0.000 1.130 691 F CA -0.960 57.047 58.000 0.012 0.000 0.948 691 F CB 1.026 40.016 39.000 -0.016 0.000 1.154 691 F HN 0.500 nan 8.300 nan 0.000 0.439 692 N N 2.777 121.551 118.700 0.123 0.000 2.676 692 N HA -0.235 4.505 4.740 0.000 0.000 0.290 692 N C -0.978 174.532 175.510 -0.000 0.000 1.109 692 N CA 0.421 53.498 53.050 0.046 0.000 0.779 692 N CB -0.618 37.889 38.487 0.034 0.000 0.947 692 N HN 0.490 nan 8.380 nan 0.000 0.566 693 L N 1.303 122.528 121.223 0.004 0.000 2.260 693 L HA 0.206 4.546 4.340 0.000 0.000 0.289 693 L C 0.536 177.389 176.870 -0.028 0.000 1.057 693 L CA -0.110 54.725 54.840 -0.008 0.000 0.811 693 L CB 0.765 42.836 42.059 0.021 0.000 1.184 693 L HN 0.245 nan 8.230 nan 0.000 0.429 694 Q N 2.506 122.248 119.800 -0.097 0.000 2.306 694 Q HA 0.170 4.510 4.340 0.000 0.000 0.241 694 Q C -0.526 175.511 176.000 0.062 0.000 0.948 694 Q CA -0.713 55.033 55.803 -0.095 0.000 0.886 694 Q CB 0.932 29.473 28.738 -0.328 0.000 1.227 694 Q HN 0.568 nan 8.270 nan 0.000 0.457 695 D N 0.122 120.569 120.400 0.078 0.000 2.533 695 D HA 0.029 4.669 4.640 0.000 0.000 0.236 695 D C 0.821 177.234 176.300 0.187 0.000 1.137 695 D CA 1.879 55.940 54.000 0.101 0.000 0.867 695 D CB 0.343 41.183 40.800 0.067 0.000 1.170 695 D HN 0.735 nan 8.370 nan 0.000 0.474 696 G N 3.114 111.983 108.800 0.115 0.000 2.179 696 G HA2 -0.219 3.741 3.960 0.000 0.000 0.260 696 G HA3 -0.219 3.741 3.960 0.000 0.000 0.260 696 G C 0.375 175.251 174.900 -0.040 0.000 0.977 696 G CA 0.380 45.506 45.100 0.043 0.000 0.641 696 G HN 0.736 nan 8.290 nan 0.000 0.533 697 H N 0.044 119.111 119.070 -0.006 0.000 2.567 697 H HA 0.615 5.171 4.556 -0.000 0.000 0.345 697 H C -0.492 174.829 175.328 -0.011 0.000 1.169 697 H CA -0.381 55.662 56.048 -0.009 0.000 1.227 697 H CB 2.020 31.777 29.762 -0.008 0.000 1.607 697 H HN 0.350 nan 8.280 nan 0.000 0.534 698 E N 1.039 121.293 120.200 0.090 0.000 2.224 698 E HA 0.528 4.878 4.350 0.000 0.000 0.265 698 E C -1.527 175.097 176.600 0.040 0.000 0.878 698 E CA -0.963 55.461 56.400 0.040 0.000 0.759 698 E CB 1.539 31.238 29.700 -0.002 0.000 1.164 698 E HN 0.702 nan 8.360 nan 0.000 0.414 699 A N 3.528 126.365 122.820 0.028 0.000 2.305 699 A HA 0.613 4.933 4.320 0.000 0.000 0.322 699 A C -0.917 176.664 177.584 -0.005 0.000 1.187 699 A CA -0.558 51.494 52.037 0.024 0.000 0.825 699 A CB 1.326 20.352 19.000 0.043 0.000 1.164 699 A HN 0.399 nan 8.150 nan 0.000 0.498 700 V N 1.298 121.211 119.914 -0.003 0.000 2.656 700 V HA 0.509 4.629 4.120 0.000 0.000 0.307 700 V C -0.574 175.522 176.094 0.003 0.000 1.051 700 V CA -0.553 61.728 62.300 -0.032 0.000 0.893 700 V CB 1.553 33.352 31.823 -0.040 0.000 0.999 700 V HN 1.086 nan 8.190 nan 0.000 0.426 701 C N 4.623 123.911 119.300 -0.019 0.000 2.396 701 C HA 0.664 5.124 4.460 0.000 0.000 0.321 701 C C -0.374 174.644 174.990 0.046 0.000 1.233 701 C CA -0.348 58.716 59.018 0.077 0.000 1.440 701 C CB 0.590 28.442 27.740 0.186 0.000 2.110 701 C HN 0.997 nan 8.230 nan 0.000 0.473 702 E N 4.123 124.373 120.200 0.083 0.000 2.129 702 E HA 0.443 4.793 4.350 0.000 0.000 0.268 702 E C -0.931 175.750 176.600 0.136 0.000 0.900 702 E CA -0.429 56.009 56.400 0.064 0.000 0.755 702 E CB 1.939 31.649 29.700 0.017 0.000 1.117 702 E HN 0.582 nan 8.360 nan 0.000 0.410 703 V N 5.660 125.703 119.914 0.214 0.000 2.432 703 V HA 0.265 4.385 4.120 0.000 0.000 0.275 703 V C -1.894 174.326 176.094 0.210 0.000 1.043 703 V CA -1.669 60.779 62.300 0.247 0.000 0.925 703 V CB 0.785 32.837 31.823 0.382 0.000 0.985 703 V HN 0.581 nan 8.190 nan 0.000 0.466 704 P HA 0.453 nan 4.420 nan 0.000 0.279 704 P C -0.521 177.004 177.300 0.376 0.000 1.252 704 P CA -0.349 62.900 63.100 0.249 0.000 0.811 704 P CB 1.476 33.328 31.700 0.254 0.000 1.035 705 A N 1.304 124.293 122.820 0.283 0.000 2.257 705 A HA 0.557 4.877 4.320 0.000 0.000 0.290 705 A C 1.668 179.432 177.584 0.300 0.000 1.201 705 A CA 0.153 52.325 52.037 0.225 0.000 0.863 705 A CB -0.549 18.507 19.000 0.094 0.000 1.256 705 A HN 0.482 nan 8.150 nan 0.000 0.506 706 A N -0.430 122.431 122.820 0.068 0.000 2.070 706 A HA -0.085 4.235 4.320 0.000 0.000 0.220 706 A C 1.228 178.936 177.584 0.207 0.000 1.159 706 A CA 2.034 54.060 52.037 -0.019 0.000 0.656 706 A CB -0.661 18.230 19.000 -0.182 0.000 0.800 706 A HN 0.835 nan 8.150 nan 0.000 0.453 707 D N -2.611 117.916 120.400 0.211 0.000 2.328 707 D HA 0.299 4.939 4.640 0.000 0.000 0.221 707 D C 1.162 177.615 176.300 0.255 0.000 1.072 707 D CA 0.852 54.982 54.000 0.217 0.000 0.850 707 D CB -0.436 40.436 40.800 0.120 0.000 0.922 707 D HN 0.658 nan 8.370 nan 0.000 0.516 708 G N 0.309 109.331 108.800 0.371 0.000 2.253 708 G HA2 -0.322 3.638 3.960 0.000 0.000 0.251 708 G HA3 -0.322 3.638 3.960 0.000 0.000 0.251 708 G C 0.550 175.520 174.900 0.118 0.000 0.998 708 G CA 0.489 45.720 45.100 0.217 0.000 0.621 708 G HN 0.880 nan 8.290 nan 0.000 0.524 709 S N -0.420 115.347 115.700 0.111 0.000 2.589 709 S HA 0.531 5.001 4.470 0.000 0.000 0.265 709 S C 0.464 175.112 174.600 0.079 0.000 1.342 709 S CA 0.035 58.277 58.200 0.069 0.000 1.005 709 S CB 1.871 65.103 63.200 0.053 0.000 0.909 709 S HN 1.121 nan 8.310 nan 0.000 0.555 710 V N 2.759 122.702 119.914 0.049 0.000 2.408 710 V HA 0.240 4.360 4.120 0.000 0.000 0.267 710 V C 1.007 177.130 176.094 0.047 0.000 1.047 710 V CA -0.139 62.191 62.300 0.051 0.000 0.937 710 V CB 0.460 32.293 31.823 0.017 0.000 0.999 710 V HN 0.958 nan 8.190 nan 0.000 0.472 711 I N 4.382 124.994 120.570 0.069 0.000 3.645 711 I HA 0.322 4.492 4.170 0.000 0.000 0.300 711 I C -0.011 176.186 176.117 0.134 0.000 1.260 711 I CA 0.535 61.852 61.300 0.028 0.000 1.365 711 I CB 0.452 38.376 38.000 -0.126 0.000 1.077 711 I HN 0.564 nan 8.210 nan 0.000 0.439 712 F N -0.324 119.615 119.950 -0.019 0.000 2.635 712 F HA 0.401 4.928 4.527 -0.000 0.000 0.314 712 F C -1.216 174.568 175.800 -0.026 0.000 1.119 712 F CA -0.446 57.544 58.000 -0.018 0.000 1.000 712 F CB 1.456 40.466 39.000 0.016 0.000 1.278 712 F HN -0.412 nan 8.300 nan 0.000 0.446 713 T N 6.607 120.703 114.554 -0.763 0.000 2.824 713 T HA 0.633 4.983 4.350 0.000 0.000 0.282 713 T C -1.708 172.417 174.700 -0.958 0.000 0.993 713 T CA -0.454 61.293 62.100 -0.588 0.000 0.967 713 T CB 1.539 70.199 68.868 -0.347 0.000 0.960 713 T HN 0.556 nan 8.240 nan 0.000 0.441 714 L N 3.751 124.558 121.223 -0.693 0.000 2.341 714 L HA 0.642 4.982 4.340 0.000 0.000 0.278 714 L C -0.920 175.725 176.870 -0.375 0.000 1.005 714 L CA -0.349 54.082 54.840 -0.682 0.000 0.818 714 L CB 1.097 42.579 42.059 -0.963 0.000 1.259 714 L HN 0.521 nan 8.230 nan 0.000 0.418 715 K N 4.189 124.422 120.400 -0.278 0.000 2.316 715 K HA 0.888 5.208 4.320 0.000 0.000 0.251 715 K C -1.251 175.285 176.600 -0.107 0.000 0.934 715 K CA -0.800 55.393 56.287 -0.158 0.000 0.802 715 K CB 2.146 34.571 32.500 -0.126 0.000 1.171 715 K HN 0.617 nan 8.250 nan 0.000 0.426 716 A N 1.607 124.390 122.820 -0.061 0.000 2.340 716 A HA 0.717 5.037 4.320 0.000 0.000 0.297 716 A C -1.081 176.500 177.584 -0.005 0.000 1.195 716 A CA -0.645 51.377 52.037 -0.026 0.000 0.769 716 A CB 1.097 20.091 19.000 -0.010 0.000 1.163 716 A HN 0.707 nan 8.150 nan 0.000 0.472 717 A N 2.697 125.515 122.820 -0.002 0.000 2.331 717 A HA 0.790 5.110 4.320 0.000 0.000 0.320 717 A C -0.036 177.558 177.584 0.017 0.000 1.138 717 A CA -0.665 51.376 52.037 0.007 0.000 0.790 717 A CB 0.778 19.774 19.000 -0.006 0.000 1.206 717 A HN 0.910 nan 8.150 nan 0.000 0.470 718 R N 1.494 122.013 120.500 0.032 0.000 2.437 718 R HA 0.598 4.938 4.340 0.000 0.000 0.310 718 R C -0.969 175.350 176.300 0.033 0.000 0.955 718 R CA 0.031 56.151 56.100 0.034 0.000 0.851 718 R CB 1.418 31.744 30.300 0.043 0.000 1.161 718 R HN 0.728 nan 8.270 nan 0.000 0.446 719 T N 2.826 117.393 114.554 0.022 0.000 2.841 719 T HA 0.560 4.910 4.350 0.000 0.000 0.285 719 T C 0.597 175.308 174.700 0.018 0.000 0.991 719 T CA 0.592 62.703 62.100 0.019 0.000 0.966 719 T CB 1.285 70.158 68.868 0.009 0.000 0.962 719 T HN 0.934 nan 8.240 nan 0.000 0.438 720 G N 5.406 114.218 108.800 0.021 0.000 2.591 720 G HA2 -0.325 3.635 3.960 0.000 0.000 0.298 720 G HA3 -0.325 3.635 3.960 0.000 0.000 0.298 720 G C 0.556 175.467 174.900 0.020 0.000 1.195 720 G CA 0.679 45.790 45.100 0.019 0.000 0.989 720 G HN 0.859 nan 8.290 nan 0.000 0.551 721 N N 0.807 119.516 118.700 0.016 0.000 2.235 721 N HA 0.348 5.088 4.740 0.000 0.000 0.209 721 N C -0.367 175.152 175.510 0.014 0.000 1.122 721 N CA 0.545 53.604 53.050 0.015 0.000 0.845 721 N CB 0.627 39.122 38.487 0.013 0.000 1.004 721 N HN 0.451 nan 8.380 nan 0.000 0.499 722 T N 0.987 115.549 114.554 0.014 0.000 2.771 722 T HA 0.437 4.787 4.350 0.000 0.000 0.281 722 T C -0.081 174.628 174.700 0.015 0.000 0.982 722 T CA -0.306 61.802 62.100 0.013 0.000 0.978 722 T CB 1.363 70.238 68.868 0.011 0.000 0.930 722 T HN -0.011 nan 8.240 nan 0.000 0.447 723 I N 3.198 123.778 120.570 0.015 0.000 2.355 723 I HA 0.267 4.437 4.170 0.000 0.000 0.288 723 I C 0.220 176.346 176.117 0.015 0.000 0.999 723 I CA -0.601 60.709 61.300 0.016 0.000 1.163 723 I CB 1.506 39.517 38.000 0.018 0.000 1.316 723 I HN 0.508 nan 8.210 nan 0.000 0.454 724 T N 5.915 120.476 114.554 0.011 0.000 2.744 724 T HA 0.396 4.746 4.350 0.000 0.000 0.291 724 T C -0.059 174.644 174.700 0.006 0.000 0.957 724 T CA -0.434 61.672 62.100 0.010 0.000 1.002 724 T CB 1.371 70.241 68.868 0.003 0.000 0.919 724 T HN 0.157 nan 8.240 nan 0.000 0.468 725 V N 4.760 124.685 119.914 0.019 0.000 2.370 725 V HA 0.608 4.728 4.120 0.000 0.000 0.283 725 V C 0.520 176.627 176.094 0.021 0.000 1.023 725 V CA -0.806 61.504 62.300 0.016 0.000 0.857 725 V CB 1.266 33.127 31.823 0.063 0.000 0.985 725 V HN 1.081 nan 8.190 nan 0.000 0.443 726 T N 1.493 116.027 114.554 -0.035 0.000 2.861 726 T HA 0.815 5.165 4.350 0.000 0.000 0.287 726 T C -0.113 174.502 174.700 -0.141 0.000 1.003 726 T CA -0.513 61.564 62.100 -0.039 0.000 0.977 726 T CB 1.863 70.701 68.868 -0.050 0.000 0.996 726 T HN 0.889 nan 8.240 nan 0.000 0.448 727 G N 0.497 109.244 108.800 -0.088 0.000 2.482 727 G HA2 0.790 4.750 3.960 0.000 0.000 0.317 727 G HA3 0.790 4.750 3.960 0.000 0.000 0.317 727 G C -1.134 173.636 174.900 -0.215 0.000 1.241 727 G CA -0.932 43.976 45.100 -0.320 0.000 0.967 727 G HN 1.230 nan 8.290 nan 0.000 0.482 728 A N 0.332 122.846 122.820 -0.510 0.000 2.459 728 A HA 1.028 5.348 4.320 0.000 0.000 0.296 728 A C 0.301 177.799 177.584 -0.144 0.000 1.039 728 A CA 0.402 52.329 52.037 -0.184 0.000 0.698 728 A CB 1.349 20.250 19.000 -0.165 0.000 1.261 728 A HN 2.620 nan 8.150 nan 0.000 0.405 729 G N 0.588 109.472 108.800 0.140 0.000 2.337 729 G HA2 0.212 4.172 3.960 0.000 0.000 0.197 729 G HA3 0.212 4.172 3.960 0.000 0.000 0.197 729 G C -0.566 174.560 174.900 0.377 0.000 1.238 729 G CA -0.058 45.184 45.100 0.236 0.000 1.119 729 G HN 1.185 nan 8.290 nan 0.000 0.514 730 E N 0.454 120.831 120.200 0.296 0.000 2.102 730 E HA 0.629 4.979 4.350 0.000 0.000 0.263 730 E C -0.178 176.459 176.600 0.062 0.000 0.894 730 E CA -0.147 56.342 56.400 0.149 0.000 0.746 730 E CB 0.783 30.492 29.700 0.016 0.000 1.129 730 E HN 1.443 nan 8.360 nan 0.000 0.416 731 A N 4.064 126.838 122.820 -0.077 0.000 2.572 731 A HA 0.723 5.043 4.320 0.000 0.000 0.295 731 A C -1.475 176.167 177.584 0.096 0.000 1.072 731 A CA -0.881 51.049 52.037 -0.179 0.000 0.691 731 A CB 1.786 20.082 19.000 -1.174 0.000 1.291 731 A HN 0.461 nan 8.150 nan 0.000 0.404 732 K N 0.544 121.051 120.400 0.179 0.000 2.464 732 K HA 0.591 4.911 4.320 0.000 0.000 0.253 732 K C -0.411 176.274 176.600 0.142 0.000 0.933 732 K CA -0.342 56.029 56.287 0.141 0.000 0.801 732 K CB 1.293 33.834 32.500 0.069 0.000 1.271 732 K HN 0.763 nan 8.250 nan 0.000 0.430 733 N N 1.084 119.795 118.700 0.018 0.000 2.727 733 N HA -0.178 4.562 4.740 0.000 0.000 0.249 733 N C -1.024 174.522 175.510 0.061 0.000 1.048 733 N CA 0.787 53.822 53.050 -0.027 0.000 0.714 733 N CB -0.607 37.877 38.487 -0.006 0.000 0.959 733 N HN 0.553 nan 8.380 nan 0.000 0.544 734 W N 0.177 121.494 121.300 0.029 0.000 2.436 734 W HA 0.695 5.355 4.660 0.000 0.000 0.347 734 W C 0.305 176.893 176.519 0.114 0.000 1.136 734 W CA -0.301 57.098 57.345 0.090 0.000 1.286 734 W CB 0.405 30.005 29.460 0.233 0.000 1.253 734 W HN 0.021 nan 8.180 nan 0.000 0.617 735 T N -0.002 114.832 114.554 0.467 0.000 2.907 735 T HA 0.662 5.012 4.350 0.000 0.000 0.290 735 T C -1.153 173.847 174.700 0.500 0.000 1.066 735 T CA -1.027 61.266 62.100 0.321 0.000 1.012 735 T CB 2.151 71.087 68.868 0.113 0.000 1.184 735 T HN 0.568 nan 8.240 nan 0.000 0.522 736 L N 1.312 122.714 121.223 0.297 0.000 2.404 736 L HA 0.586 4.926 4.340 0.000 0.000 0.272 736 L C -1.071 175.814 176.870 0.025 0.000 0.980 736 L CA -0.662 54.317 54.840 0.232 0.000 0.836 736 L CB 0.926 43.168 42.059 0.304 0.000 1.238 736 L HN 1.119 nan 8.230 nan 0.000 0.408 737 C N 6.694 125.912 119.300 -0.137 0.000 2.307 737 C HA 0.490 4.950 4.460 0.000 0.000 0.340 737 C C 0.447 175.365 174.990 -0.120 0.000 1.275 737 C CA -0.737 58.181 59.018 -0.167 0.000 1.811 737 C CB -0.095 27.454 27.740 -0.319 0.000 2.372 737 C HN 0.734 nan 8.230 nan 0.000 0.531 738 L N 7.848 129.029 121.223 -0.069 0.000 2.375 738 L HA 0.340 4.680 4.340 0.000 0.000 0.276 738 L C 0.668 177.488 176.870 -0.083 0.000 1.162 738 L CA -0.244 54.557 54.840 -0.065 0.000 0.991 738 L CB -0.486 41.558 42.059 -0.025 0.000 1.315 738 L HN 0.601 nan 8.230 nan 0.000 0.431 739 R N 3.522 123.919 120.500 -0.171 0.000 2.537 739 R HA -0.060 4.280 4.340 0.000 0.000 0.281 739 R C 0.734 177.001 176.300 -0.055 0.000 0.988 739 R CA 0.226 56.226 56.100 -0.166 0.000 1.077 739 R CB -0.055 29.980 30.300 -0.442 0.000 0.932 739 R HN 0.627 nan 8.270 nan 0.000 0.409 740 N N -0.129 118.569 118.700 -0.003 0.000 2.741 740 N HA -0.183 4.557 4.740 0.000 0.000 0.251 740 N C -0.948 174.572 175.510 0.017 0.000 1.112 740 N CA 0.974 54.039 53.050 0.025 0.000 0.750 740 N CB -0.703 37.813 38.487 0.049 0.000 1.119 740 N HN 0.230 nan 8.380 nan 0.000 0.561 741 V N 1.585 121.502 119.914 0.005 0.000 2.334 741 V HA 0.224 4.344 4.120 0.000 0.000 0.281 741 V C 1.556 177.655 176.094 0.009 0.000 1.016 741 V CA -0.379 61.925 62.300 0.007 0.000 0.832 741 V CB 1.698 33.521 31.823 0.000 0.000 0.999 741 V HN 0.099 nan 8.190 nan 0.000 0.439 742 V N 1.924 121.846 119.914 0.014 0.000 2.992 742 V HA 0.352 4.472 4.120 0.000 0.000 0.250 742 V C 0.647 176.748 176.094 0.012 0.000 1.090 742 V CA 0.797 63.106 62.300 0.015 0.000 1.101 742 V CB -0.220 31.614 31.823 0.017 0.000 0.743 742 V HN 0.688 nan 8.190 nan 0.000 0.468 743 K N -0.383 120.023 120.400 0.011 0.000 2.525 743 K HA 0.650 4.970 4.320 0.000 0.000 0.254 743 K C -1.822 174.783 176.600 0.009 0.000 0.934 743 K CA -0.462 55.831 56.287 0.009 0.000 0.802 743 K CB 3.001 35.507 32.500 0.010 0.000 1.295 743 K HN 0.040 nan 8.250 nan 0.000 0.433 744 V N 3.279 123.198 119.914 0.008 0.000 2.769 744 V HA 0.240 4.360 4.120 0.000 0.000 0.312 744 V C 0.673 176.771 176.094 0.007 0.000 1.058 744 V CA -0.417 61.887 62.300 0.008 0.000 0.952 744 V CB 1.782 33.609 31.823 0.008 0.000 1.019 744 V HN 0.975 nan 8.190 nan 0.000 0.445 745 N N 2.661 121.366 118.700 0.008 0.000 2.106 745 N HA 0.167 4.907 4.740 0.000 0.000 0.188 745 N C 0.405 175.918 175.510 0.006 0.000 1.029 745 N CA 1.565 54.619 53.050 0.007 0.000 0.848 745 N CB -0.020 38.472 38.487 0.008 0.000 1.007 745 N HN 0.889 nan 8.380 nan 0.000 0.423 746 G N -1.214 107.590 108.800 0.007 0.000 2.682 746 G HA2 0.582 4.542 3.960 0.000 0.000 0.290 746 G HA3 0.582 4.542 3.960 0.000 0.000 0.290 746 G C -2.069 172.835 174.900 0.006 0.000 1.425 746 G CA -0.561 44.543 45.100 0.006 0.000 0.807 746 G HN 0.166 nan 8.290 nan 0.000 0.482 747 L N 0.367 121.593 121.223 0.005 0.000 2.639 747 L HA 0.497 4.837 4.340 0.000 0.000 0.264 747 L C -1.129 175.743 176.870 0.004 0.000 0.948 747 L CA -0.542 54.301 54.840 0.005 0.000 0.912 747 L CB 2.066 44.127 42.059 0.003 0.000 1.294 747 L HN 0.671 nan 8.230 nan 0.000 0.412 748 Q N 4.703 124.507 119.800 0.006 0.000 2.347 748 Q HA 0.294 4.634 4.340 0.000 0.000 0.262 748 Q C -0.907 175.096 176.000 0.006 0.000 0.980 748 Q CA -0.160 55.647 55.803 0.005 0.000 0.867 748 Q CB 0.913 29.655 28.738 0.007 0.000 1.242 748 Q HN 0.696 nan 8.270 nan 0.000 0.453 749 D N 2.256 122.655 120.400 -0.002 0.000 3.027 749 D HA -0.112 4.528 4.640 0.000 0.000 0.219 749 D C -0.534 175.754 176.300 -0.019 0.000 1.110 749 D CA 1.260 55.256 54.000 -0.006 0.000 0.841 749 D CB -1.202 39.601 40.800 0.005 0.000 1.096 749 D HN 0.733 nan 8.370 nan 0.000 0.435 750 G N -1.052 107.734 108.800 -0.023 0.000 2.677 750 G HA2 0.637 4.597 3.960 0.000 0.000 0.291 750 G HA3 0.637 4.597 3.960 0.000 0.000 0.291 750 G C -0.497 174.383 174.900 -0.034 0.000 1.435 750 G CA 0.133 45.207 45.100 -0.043 0.000 0.826 750 G HN 0.316 nan 8.290 nan 0.000 0.491 751 S N -0.933 114.741 115.700 -0.044 0.000 2.718 751 S HA 0.810 5.280 4.470 0.000 0.000 0.300 751 S C -0.410 174.175 174.600 -0.025 0.000 1.117 751 S CA -0.638 57.543 58.200 -0.031 0.000 1.002 751 S CB 1.858 65.037 63.200 -0.035 0.000 1.092 751 S HN 1.069 nan 8.310 nan 0.000 0.542 752 Q N -0.194 119.596 119.800 -0.016 0.000 2.397 752 Q HA 0.796 5.136 4.340 0.000 0.000 0.275 752 Q C -1.484 174.511 176.000 -0.008 0.000 1.090 752 Q CA -1.460 54.337 55.803 -0.010 0.000 0.809 752 Q CB 2.097 30.832 28.738 -0.004 0.000 1.362 752 Q HN 1.001 nan 8.270 nan 0.000 0.431 753 A N 1.895 124.712 122.820 -0.004 0.000 2.549 753 A HA 0.508 4.828 4.320 0.000 0.000 0.297 753 A C -1.132 176.454 177.584 0.004 0.000 1.061 753 A CA -0.818 51.219 52.037 -0.001 0.000 0.690 753 A CB 1.628 20.627 19.000 -0.002 0.000 1.287 753 A HN 0.812 nan 8.150 nan 0.000 0.402 754 E N 0.686 120.891 120.200 0.008 0.000 2.404 754 E HA 0.442 4.792 4.350 0.000 0.000 0.261 754 E C 0.330 176.941 176.600 0.018 0.000 1.074 754 E CA 0.471 56.879 56.400 0.013 0.000 0.917 754 E CB 0.813 30.522 29.700 0.015 0.000 0.965 754 E HN 0.770 nan 8.360 nan 0.000 0.433 755 S N 0.509 116.224 115.700 0.025 0.000 2.579 755 S HA 0.205 4.675 4.470 0.000 0.000 0.272 755 S C 0.528 175.155 174.600 0.045 0.000 1.141 755 S CA -0.864 57.358 58.200 0.036 0.000 0.843 755 S CB 1.678 64.903 63.200 0.042 0.000 1.122 755 S HN 0.587 nan 8.310 nan 0.000 0.468 756 E N 0.574 120.808 120.200 0.056 0.000 2.130 756 E HA -0.208 4.142 4.350 0.000 0.000 0.196 756 E C 1.599 178.242 176.600 0.072 0.000 0.998 756 E CA 1.864 58.302 56.400 0.064 0.000 0.806 756 E CB -0.147 29.598 29.700 0.075 0.000 0.738 756 E HN 0.711 nan 8.360 nan 0.000 0.459 757 Q N -0.946 118.904 119.800 0.083 0.000 2.451 757 Q HA 0.167 4.507 4.340 0.000 0.000 0.206 757 Q C 0.447 176.480 176.000 0.054 0.000 0.947 757 Q CA 0.317 56.174 55.803 0.090 0.000 0.937 757 Q CB 1.151 29.968 28.738 0.133 0.000 1.025 757 Q HN 0.227 nan 8.270 nan 0.000 0.511 758 G N 0.433 109.256 108.800 0.039 0.000 2.355 758 G HA2 -0.069 3.891 3.960 0.000 0.000 0.619 758 G HA3 -0.069 3.891 3.960 0.000 0.000 0.619 758 G C -1.752 173.153 174.900 0.009 0.000 1.337 758 G CA -1.210 43.901 45.100 0.017 0.000 0.993 758 G HN 0.010 nan 8.290 nan 0.000 0.599 759 L N 0.283 121.507 121.223 0.001 0.000 2.534 759 L HA 0.448 4.788 4.340 0.000 0.000 0.271 759 L C 0.742 177.607 176.870 -0.008 0.000 1.178 759 L CA 0.221 55.061 54.840 -0.000 0.000 0.907 759 L CB 0.884 42.944 42.059 0.001 0.000 1.164 759 L HN 0.533 nan 8.230 nan 0.000 0.482 760 V N 6.204 126.115 119.914 -0.005 0.000 2.407 760 V HA 0.368 4.489 4.120 0.000 0.000 0.278 760 V C -0.073 176.020 176.094 -0.002 0.000 1.037 760 V CA -0.668 61.627 62.300 -0.009 0.000 0.900 760 V CB 1.621 33.440 31.823 -0.006 0.000 0.983 760 V HN 0.441 nan 8.190 nan 0.000 0.459 761 V N 5.082 125.002 119.914 0.010 0.000 2.417 761 V HA 0.432 4.552 4.120 0.000 0.000 0.291 761 V C -0.021 176.064 176.094 -0.014 0.000 1.024 761 V CA -0.872 61.431 62.300 0.006 0.000 0.861 761 V CB 1.769 33.609 31.823 0.028 0.000 0.985 761 V HN 0.860 nan 8.190 nan 0.000 0.436 762 K N 7.941 128.306 120.400 -0.060 0.000 2.240 762 K HA 0.483 4.803 4.320 0.000 0.000 0.271 762 K C -2.544 173.939 176.600 -0.195 0.000 1.018 762 K CA -1.908 54.299 56.287 -0.134 0.000 0.874 762 K CB 1.503 33.937 32.500 -0.110 0.000 1.098 762 K HN 0.374 nan 8.250 nan 0.000 0.458 763 P HA 0.027 nan 4.420 nan 0.000 0.275 763 P C -0.613 176.523 177.300 -0.273 0.000 1.227 763 P CA -0.057 62.816 63.100 -0.379 0.000 0.781 763 P CB 1.296 32.469 31.700 -0.877 0.000 0.906 764 Q N 0.922 120.634 119.800 -0.147 0.000 2.384 764 Q HA 0.275 4.615 4.340 0.000 0.000 0.207 764 Q C 1.029 176.987 176.000 -0.071 0.000 0.904 764 Q CA 0.457 56.199 55.803 -0.101 0.000 0.933 764 Q CB 0.861 29.564 28.738 -0.058 0.000 1.077 764 Q HN 0.719 nan 8.270 nan 0.000 0.522 765 G N 0.119 108.888 108.800 -0.053 0.000 2.495 765 G HA2 0.149 4.109 3.960 0.000 0.000 0.294 765 G HA3 0.149 4.109 3.960 0.000 0.000 0.294 765 G C -0.602 174.365 174.900 0.111 0.000 1.397 765 G CA -0.800 44.313 45.100 0.022 0.000 0.790 765 G HN -0.121 nan 8.290 nan 0.000 0.486 766 N N -0.162 118.644 118.700 0.177 0.000 2.609 766 N HA 0.346 5.086 4.740 0.000 0.000 0.190 766 N C 0.410 176.044 175.510 0.207 0.000 1.157 766 N CA 1.178 54.397 53.050 0.281 0.000 0.918 766 N CB 0.370 39.006 38.487 0.249 0.000 0.978 766 N HN 0.840 nan 8.380 nan 0.000 0.448 767 A N 0.062 122.964 122.820 0.136 0.000 2.408 767 A HA 0.676 4.996 4.320 0.000 0.000 0.295 767 A C -1.355 176.273 177.584 0.074 0.000 1.040 767 A CA -0.556 51.536 52.037 0.092 0.000 0.707 767 A CB 0.987 20.020 19.000 0.056 0.000 1.235 767 A HN 0.050 nan 8.150 nan 0.000 0.418 768 L N 0.687 121.954 121.223 0.075 0.000 2.350 768 L HA 0.896 5.236 4.340 0.000 0.000 0.260 768 L C 0.182 177.077 176.870 0.042 0.000 1.015 768 L CA -0.305 54.569 54.840 0.057 0.000 0.821 768 L CB 2.495 44.600 42.059 0.078 0.000 1.370 768 L HN 0.741 nan 8.230 nan 0.000 0.416 769 T N 1.465 116.037 114.554 0.029 0.000 2.952 769 T HA 0.787 5.137 4.350 0.000 0.000 0.305 769 T C -1.289 173.423 174.700 0.019 0.000 1.064 769 T CA -0.284 61.829 62.100 0.023 0.000 1.008 769 T CB 0.710 69.589 68.868 0.017 0.000 1.078 769 T HN 0.393 nan 8.240 nan 0.000 0.459 770 I N 3.548 124.130 120.570 0.019 0.000 2.465 770 I HA 0.413 4.583 4.170 0.000 0.000 0.291 770 I C -0.031 176.094 176.117 0.014 0.000 1.014 770 I CA -0.783 60.527 61.300 0.016 0.000 1.093 770 I CB 2.533 40.544 38.000 0.019 0.000 1.267 770 I HN 0.577 nan 8.210 nan 0.000 0.431 771 T N 6.863 121.424 114.554 0.011 0.000 2.788 771 T HA 0.514 4.864 4.350 0.000 0.000 0.296 771 T C 0.023 174.729 174.700 0.010 0.000 1.009 771 T CA -0.517 61.589 62.100 0.011 0.000 0.949 771 T CB 0.458 69.332 68.868 0.009 0.000 0.946 771 T HN 0.250 nan 8.240 nan 0.000 0.453 772 L N 2.619 123.849 121.223 0.011 0.000 2.464 772 L HA 0.439 4.779 4.340 0.000 0.000 0.264 772 L C 1.854 178.730 176.870 0.010 0.000 1.199 772 L CA -0.742 54.104 54.840 0.011 0.000 0.818 772 L CB -0.163 41.903 42.059 0.012 0.000 1.102 772 L HN 0.892 nan 8.230 nan 0.000 0.473 773 H N 0.000 119.076 119.070 0.010 0.000 2.539 773 H HA 0.000 4.556 4.556 0.000 0.000 0.296 773 H CA 0.000 56.054 56.048 0.010 0.000 1.023 773 H CB 0.000 29.768 29.762 0.010 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496