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_B DATA FIRST_RESID 1 DATA SEQUENCE MKISDGNWLI QPGLNLIHPL QVFEVEQQDN EMVVYAAPRD VRERTWQLDT DATA SEQUENCE PLFTLRFFSP QEGIVGVRIE HFQGALNNGP HYPLNILQDV KVTIENTERY DATA SEQUENCE AEFKSGNLSA RVSKGEFWSL DFLRNGERIT GSQVKNNGYV QDTNNQRNYM DATA SEQUENCE FERLDLGVGE TVYGLGERFT ALVRNGQTVE TWNRDGGTST EQAYKNIPFY DATA SEQUENCE MTNRGYGVLV NHPQCVSFEV GSEKVSKVQF SVESEYLEYF VIDGPTPKAV DATA SEQUENCE LDRYTRFTGR PALPPAWSFG LWLTTSFTTN YDEATVNSFI DGMAERNLPL DATA SEQUENCE HVFHFDCFWM KAFQWCDFEW DPLTFPDPEG MIRRLKAKGL KICVWINPYI DATA SEQUENCE GQKSPVFKEL QEKGYLLKRP DGSLWQWDKW QPGLAIYDFT NPDACKWYAD DATA SEQUENCE KLKGLVAMGV DCFKTDFGER IPTDVQWFDG SDPQKMHNHY AYIYNELVWN DATA SEQUENCE VLKDTVGEEE AVLFARSASV GAQKFPVHWG GDCYANYESM AESLRGGLSI DATA SEQUENCE GLSGFGFWSH DIGGFENTAP AHVYKRWCAF GLLSSHSRLH GSKSYRVPWA DATA SEQUENCE YDDESCDVVR FFTQLKCRMM PYLYREAARA NARGTPMMRA MMMEFPDDPA DATA SEQUENCE CDYLDRQYML GDNVMVAPVF TEAGDVQFYL PEGRWTHLWH NDELDGSRWH DATA SEQUENCE KQQHGFLSLP VYVRDNTLLA LGNNDQRPDY VWHEGTAFHL FNLQDGHEAV DATA SEQUENCE CEVPAADGSV IFTLKAARTG NTITVTGAGE AKNWTLCLRN VVKVNGLQDG DATA SEQUENCE SQAESEQGLV VKPQGNALTI TLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.162 176.300 -0.230 0.000 1.140 1 M CA 0.000 55.169 55.300 -0.218 0.000 0.988 1 M CB 0.000 32.399 32.600 -0.335 0.000 1.302 2 K N 4.777 125.051 120.400 -0.210 0.000 2.312 2 K HA 0.430 4.741 4.320 -0.015 0.000 0.287 2 K C 0.175 176.628 176.600 -0.244 0.000 1.062 2 K CA 0.070 56.241 56.287 -0.193 0.000 0.934 2 K CB 0.638 33.053 32.500 -0.142 0.000 1.027 2 K HN 0.688 nan 8.250 nan 0.000 0.478 3 I N 0.117 120.522 120.570 -0.275 0.000 3.366 3 I HA -0.081 4.081 4.170 -0.015 0.000 0.267 3 I C 0.918 176.893 176.117 -0.236 0.000 1.149 3 I CA 0.165 61.266 61.300 -0.331 0.000 1.436 3 I CB 0.077 37.749 38.000 -0.547 0.000 1.379 3 I HN 0.470 nan 8.210 nan 0.000 0.460 4 S N 0.510 116.087 115.700 -0.206 0.000 2.617 4 S HA 0.175 4.636 4.470 -0.015 0.000 0.269 4 S C -0.335 174.201 174.600 -0.107 0.000 1.292 4 S CA -0.461 57.654 58.200 -0.141 0.000 1.010 4 S CB 1.580 64.698 63.200 -0.137 0.000 0.944 4 S HN 0.223 nan 8.310 nan 0.000 0.536 5 D N 0.395 120.752 120.400 -0.072 0.000 2.434 5 D HA 0.493 5.125 4.640 -0.015 0.000 0.275 5 D C 0.769 177.054 176.300 -0.025 0.000 1.172 5 D CA 0.761 54.734 54.000 -0.045 0.000 0.916 5 D CB -0.029 40.754 40.800 -0.027 0.000 1.041 5 D HN 1.102 nan 8.370 nan 0.000 0.501 6 G N 3.399 112.170 108.800 -0.049 0.000 2.697 6 G HA2 -0.369 3.582 3.960 -0.015 0.000 0.240 6 G HA3 -0.369 3.582 3.960 -0.015 0.000 0.240 6 G C 0.824 175.632 174.900 -0.154 0.000 1.346 6 G CA 0.081 45.143 45.100 -0.064 0.000 0.887 6 G HN 0.517 nan 8.290 nan 0.000 0.569 7 N N -0.818 117.690 118.700 -0.319 0.000 2.331 7 N HA 0.031 4.762 4.740 -0.015 0.000 0.180 7 N C 1.879 177.021 175.510 -0.615 0.000 1.019 7 N CA 2.325 55.008 53.050 -0.612 0.000 0.881 7 N CB -0.091 37.763 38.487 -1.055 0.000 0.972 7 N HN 0.612 nan 8.380 nan 0.000 0.435 8 W N -0.250 121.039 121.300 -0.019 0.000 2.872 8 W HA 0.404 5.056 4.660 -0.015 0.000 0.266 8 W C 0.065 176.574 176.519 -0.017 0.000 1.276 8 W CA -0.529 56.807 57.345 -0.015 0.000 1.471 8 W CB 0.424 29.876 29.460 -0.013 0.000 1.071 8 W HN -0.138 nan 8.180 nan 0.000 0.619 9 L N 0.007 121.311 121.223 0.135 0.000 2.279 9 L HA 0.606 4.937 4.340 -0.015 0.000 0.262 9 L C -0.387 176.488 176.870 0.010 0.000 1.019 9 L CA -1.298 53.589 54.840 0.077 0.000 0.823 9 L CB 2.036 44.138 42.059 0.073 0.000 1.358 9 L HN -0.323 nan 8.230 nan 0.000 0.432 10 I N 0.246 120.815 120.570 -0.002 0.000 2.603 10 I HA 0.235 4.396 4.170 -0.015 0.000 0.300 10 I C -0.247 175.842 176.117 -0.047 0.000 1.017 10 I CA -0.899 60.379 61.300 -0.038 0.000 1.098 10 I CB 1.818 39.801 38.000 -0.028 0.000 1.279 10 I HN 0.503 nan 8.210 nan 0.000 0.437 11 Q N 4.519 124.272 119.800 -0.078 0.000 2.333 11 Q HA 0.081 4.413 4.340 -0.015 0.000 0.299 11 Q C -2.243 173.721 176.000 -0.060 0.000 1.067 11 Q CA -1.140 54.617 55.803 -0.076 0.000 0.943 11 Q CB -0.150 28.523 28.738 -0.108 0.000 1.233 11 Q HN 0.229 nan 8.270 nan 0.000 0.401 12 P HA 0.014 nan 4.420 nan 0.000 0.264 12 P C 0.585 177.861 177.300 -0.041 0.000 1.193 12 P CA 0.976 64.055 63.100 -0.036 0.000 0.763 12 P CB 0.413 32.096 31.700 -0.029 0.000 0.810 13 G N 2.081 110.861 108.800 -0.035 0.000 2.199 13 G HA2 -0.224 3.727 3.960 -0.015 0.000 0.254 13 G HA3 -0.224 3.727 3.960 -0.015 0.000 0.254 13 G C -0.115 174.757 174.900 -0.046 0.000 0.982 13 G CA -0.390 44.689 45.100 -0.034 0.000 0.632 13 G HN 0.458 nan 8.290 nan 0.000 0.529 14 L N 0.937 122.123 121.223 -0.062 0.000 2.292 14 L HA 0.434 4.765 4.340 -0.015 0.000 0.284 14 L C 0.098 176.926 176.870 -0.072 0.000 1.065 14 L CA -0.578 54.213 54.840 -0.082 0.000 0.806 14 L CB 1.147 43.135 42.059 -0.118 0.000 1.175 14 L HN 0.183 nan 8.230 nan 0.000 0.431 15 N N 4.241 122.894 118.700 -0.079 0.000 2.408 15 N HA 0.589 5.320 4.740 -0.015 0.000 0.280 15 N C -1.182 174.274 175.510 -0.091 0.000 1.002 15 N CA -0.630 52.381 53.050 -0.065 0.000 0.907 15 N CB 1.791 40.250 38.487 -0.047 0.000 1.161 15 N HN 0.370 nan 8.380 nan 0.000 0.488 16 L N 3.281 124.454 121.223 -0.084 0.000 2.334 16 L HA 0.678 5.009 4.340 -0.015 0.000 0.276 16 L C -0.240 176.497 176.870 -0.222 0.000 1.014 16 L CA -1.091 53.662 54.840 -0.145 0.000 0.815 16 L CB 1.140 43.127 42.059 -0.121 0.000 1.268 16 L HN 0.500 nan 8.230 nan 0.000 0.428 17 I N -1.689 118.734 120.570 -0.245 0.000 2.828 17 I HA 0.615 4.776 4.170 -0.015 0.000 0.302 17 I C -1.153 174.830 176.117 -0.224 0.000 1.101 17 I CA -0.659 60.521 61.300 -0.200 0.000 1.031 17 I CB 2.538 40.554 38.000 0.027 0.000 1.231 17 I HN 0.494 nan 8.210 nan 0.000 0.427 18 H N 2.428 121.614 119.070 0.193 0.000 2.806 18 H HA 0.428 4.976 4.556 -0.015 0.000 0.367 18 H C -2.776 172.384 175.328 -0.280 0.000 1.136 18 H CA -1.902 54.044 56.048 -0.171 0.000 1.178 18 H CB 2.458 32.114 29.762 -0.176 0.000 1.718 18 H HN 0.422 nan 8.280 nan 0.000 0.540 19 P HA 0.119 nan 4.420 nan 0.000 0.275 19 P C 0.395 176.966 177.300 -1.215 0.000 1.276 19 P CA 0.025 62.666 63.100 -0.766 0.000 0.782 19 P CB 0.721 31.832 31.700 -0.981 0.000 0.851 20 L N 1.825 122.636 121.223 -0.687 0.000 2.749 20 L HA 0.288 4.620 4.340 -0.015 0.000 0.242 20 L C 1.096 177.909 176.870 -0.095 0.000 1.103 20 L CA 0.340 54.913 54.840 -0.445 0.000 0.906 20 L CB 0.384 42.353 42.059 -0.150 0.000 1.228 20 L HN 0.387 nan 8.230 nan 0.000 0.517 21 Q N 0.899 120.694 119.800 -0.009 0.000 2.281 21 Q HA 0.308 4.639 4.340 -0.015 0.000 0.263 21 Q C -1.359 174.871 176.000 0.384 0.000 0.989 21 Q CA -0.358 55.606 55.803 0.268 0.000 0.852 21 Q CB 3.167 31.998 28.738 0.156 0.000 1.337 21 Q HN -0.143 nan 8.270 nan 0.000 0.418 22 V N 5.398 125.613 119.914 0.502 0.000 2.540 22 V HA -0.014 4.097 4.120 -0.015 0.000 0.297 22 V C 0.538 176.839 176.094 0.346 0.000 1.024 22 V CA 0.841 63.403 62.300 0.436 0.000 1.105 22 V CB 0.238 32.232 31.823 0.285 0.000 0.938 22 V HN 0.819 nan 8.190 nan 0.000 0.482 23 F N 3.594 123.685 119.950 0.236 0.000 2.383 23 F HA 0.373 4.891 4.527 -0.015 0.000 0.287 23 F C 0.947 176.850 175.800 0.172 0.000 1.069 23 F CA 0.589 58.697 58.000 0.179 0.000 1.402 23 F CB 0.566 39.666 39.000 0.166 0.000 1.116 23 F HN 0.546 nan 8.300 nan 0.000 0.549 24 E N 0.080 120.347 120.200 0.112 0.000 2.375 24 E HA 0.498 4.840 4.350 -0.015 0.000 0.280 24 E C -1.949 174.797 176.600 0.244 0.000 0.972 24 E CA -0.712 55.701 56.400 0.021 0.000 0.782 24 E CB 2.479 32.172 29.700 -0.010 0.000 1.229 24 E HN -0.150 nan 8.360 nan 0.000 0.439 25 V N 2.532 122.534 119.914 0.146 0.000 2.656 25 V HA 0.524 4.635 4.120 -0.015 0.000 0.307 25 V C -0.607 175.572 176.094 0.142 0.000 1.051 25 V CA -0.638 61.751 62.300 0.149 0.000 0.893 25 V CB 1.822 33.699 31.823 0.089 0.000 0.999 25 V HN 0.682 nan 8.190 nan 0.000 0.426 26 E N 2.575 122.866 120.200 0.152 0.000 2.314 26 E HA 0.437 4.778 4.350 -0.015 0.000 0.272 26 E C -1.335 175.332 176.600 0.111 0.000 0.884 26 E CA -0.656 55.828 56.400 0.139 0.000 0.753 26 E CB 2.382 32.205 29.700 0.205 0.000 1.213 26 E HN 0.738 nan 8.360 nan 0.000 0.432 27 Q N 3.001 122.859 119.800 0.096 0.000 2.290 27 Q HA 0.238 4.569 4.340 -0.015 0.000 0.259 27 Q C -1.238 174.813 176.000 0.085 0.000 0.941 27 Q CA -0.434 55.427 55.803 0.096 0.000 0.912 27 Q CB 1.218 30.009 28.738 0.088 0.000 1.244 27 Q HN 0.478 nan 8.270 nan 0.000 0.441 28 Q N 4.017 123.867 119.800 0.083 0.000 2.413 28 Q HA 0.182 4.514 4.340 -0.015 0.000 0.258 28 Q C -0.777 175.265 176.000 0.070 0.000 1.037 28 Q CA -0.562 55.280 55.803 0.065 0.000 0.764 28 Q CB 1.333 30.101 28.738 0.050 0.000 1.217 28 Q HN 0.876 nan 8.270 nan 0.000 0.490 29 D N 2.556 122.995 120.400 0.065 0.000 3.996 29 D HA -0.271 4.360 4.640 -0.015 0.000 0.140 29 D C 0.262 176.620 176.300 0.097 0.000 0.829 29 D CA 2.309 56.349 54.000 0.067 0.000 1.111 29 D CB -0.685 40.148 40.800 0.055 0.000 0.516 29 D HN 0.747 nan 8.370 nan 0.000 0.517 30 N N 1.756 120.528 118.700 0.119 0.000 2.327 30 N HA 0.119 4.850 4.740 -0.015 0.000 0.231 30 N C -0.613 175.083 175.510 0.310 0.000 1.130 30 N CA 0.213 53.372 53.050 0.183 0.000 0.845 30 N CB 0.033 38.616 38.487 0.159 0.000 1.073 30 N HN 0.534 nan 8.380 nan 0.000 0.496 31 E N 0.151 120.492 120.200 0.234 0.000 2.312 31 E HA 0.337 4.679 4.350 -0.015 0.000 0.267 31 E C -1.108 175.595 176.600 0.171 0.000 0.894 31 E CA -0.738 55.780 56.400 0.197 0.000 0.773 31 E CB 2.565 32.315 29.700 0.083 0.000 1.241 31 E HN 0.095 nan 8.360 nan 0.000 0.432 32 M N 2.757 122.437 119.600 0.133 0.000 2.227 32 M HA 0.363 4.835 4.480 -0.015 0.000 0.335 32 M C -1.667 174.722 176.300 0.149 0.000 1.053 32 M CA -0.776 54.627 55.300 0.172 0.000 0.973 32 M CB 1.230 33.970 32.600 0.234 0.000 1.623 32 M HN 0.273 nan 8.290 nan 0.000 0.434 33 V N 5.603 125.567 119.914 0.083 0.000 2.435 33 V HA 0.559 4.671 4.120 -0.015 0.000 0.290 33 V C -0.602 175.473 176.094 -0.032 0.000 1.030 33 V CA -0.700 61.578 62.300 -0.037 0.000 0.881 33 V CB 1.778 33.515 31.823 -0.143 0.000 0.983 33 V HN 0.665 nan 8.190 nan 0.000 0.445 34 V N 5.000 124.886 119.914 -0.047 0.000 2.444 34 V HA 0.448 4.560 4.120 -0.015 0.000 0.294 34 V C -1.162 174.912 176.094 -0.034 0.000 1.022 34 V CA -0.794 61.549 62.300 0.073 0.000 0.850 34 V CB 1.601 33.599 31.823 0.291 0.000 0.992 34 V HN 0.739 nan 8.190 nan 0.000 0.426 35 Y N 2.944 123.407 120.300 0.272 0.000 2.341 35 Y HA 0.715 5.256 4.550 -0.014 0.000 0.340 35 Y C 0.516 176.622 175.900 0.342 0.000 0.997 35 Y CA -0.377 57.896 58.100 0.289 0.000 1.149 35 Y CB 1.639 40.291 38.460 0.319 0.000 1.171 35 Y HN 0.718 nan 8.280 nan 0.000 0.494 36 A N 2.355 125.425 122.820 0.416 0.000 2.356 36 A HA 0.885 5.196 4.320 -0.015 0.000 0.310 36 A C -0.829 176.900 177.584 0.242 0.000 1.075 36 A CA -0.656 51.575 52.037 0.323 0.000 0.746 36 A CB 0.708 19.809 19.000 0.169 0.000 1.221 36 A HN 0.794 nan 8.150 nan 0.000 0.443 37 A N 3.094 126.019 122.820 0.175 0.000 2.295 37 A HA 0.813 5.125 4.320 -0.015 0.000 0.318 37 A C -2.023 175.599 177.584 0.062 0.000 1.134 37 A CA -1.717 50.382 52.037 0.103 0.000 0.827 37 A CB 0.581 19.627 19.000 0.076 0.000 1.136 37 A HN 0.536 nan 8.150 nan 0.000 0.493 38 P HA 0.120 nan 4.420 nan 0.000 0.257 38 P C -0.185 177.116 177.300 0.002 0.000 1.281 38 P CA 0.334 63.471 63.100 0.062 0.000 0.826 38 P CB -0.087 31.668 31.700 0.092 0.000 1.237 39 R N -2.448 118.039 120.500 -0.021 0.000 2.762 39 R HA 0.450 4.781 4.340 -0.015 0.000 0.271 39 R C -1.438 174.826 176.300 -0.061 0.000 1.038 39 R CA -0.882 55.175 56.100 -0.072 0.000 0.906 39 R CB -0.455 29.764 30.300 -0.135 0.000 1.259 39 R HN -0.371 nan 8.270 nan 0.000 0.457 40 D N 1.119 121.448 120.400 -0.120 0.000 2.363 40 D HA 0.133 4.764 4.640 -0.015 0.000 0.263 40 D C 0.378 176.668 176.300 -0.017 0.000 1.258 40 D CA -0.127 53.828 54.000 -0.074 0.000 0.907 40 D CB 1.418 42.141 40.800 -0.129 0.000 1.107 40 D HN 0.509 nan 8.370 nan 0.000 0.495 41 V N 1.713 121.685 119.914 0.097 0.000 2.988 41 V HA 0.344 4.455 4.120 -0.015 0.000 0.356 41 V C 1.552 177.787 176.094 0.235 0.000 1.380 41 V CA -0.470 61.936 62.300 0.176 0.000 1.184 41 V CB -0.091 31.795 31.823 0.105 0.000 1.204 41 V HN 0.348 nan 8.190 nan 0.000 0.530 42 R N 0.980 121.598 120.500 0.197 0.000 2.115 42 R HA 0.090 4.422 4.340 -0.015 0.000 0.230 42 R C 0.471 176.881 176.300 0.184 0.000 1.111 42 R CA 1.096 57.306 56.100 0.182 0.000 0.976 42 R CB 0.138 30.510 30.300 0.120 0.000 0.870 42 R HN 0.669 nan 8.270 nan 0.000 0.445 43 E N 0.533 120.864 120.200 0.218 0.000 2.283 43 E HA 0.103 4.445 4.350 -0.015 0.000 0.278 43 E C 0.525 177.212 176.600 0.144 0.000 1.027 43 E CA -0.375 56.135 56.400 0.183 0.000 0.843 43 E CB 1.103 30.941 29.700 0.230 0.000 1.062 43 E HN 0.109 nan 8.360 nan 0.000 0.401 44 R N 1.147 121.690 120.500 0.072 0.000 2.139 44 R HA -0.166 4.165 4.340 -0.015 0.000 0.243 44 R C 2.103 178.367 176.300 -0.060 0.000 1.145 44 R CA 1.464 57.578 56.100 0.025 0.000 0.976 44 R CB -0.551 29.757 30.300 0.012 0.000 0.866 44 R HN 0.500 nan 8.270 nan 0.000 0.449 45 T N -0.504 113.953 114.554 -0.160 0.000 2.897 45 T HA -0.145 4.196 4.350 -0.015 0.000 0.271 45 T C 0.938 175.318 174.700 -0.534 0.000 1.084 45 T CA 1.123 62.986 62.100 -0.395 0.000 1.123 45 T CB -0.135 68.404 68.868 -0.549 0.000 0.865 45 T HN 0.502 nan 8.240 nan 0.000 0.496 46 W N 0.750 122.044 121.300 -0.009 0.000 3.220 46 W HA 0.340 4.991 4.660 -0.015 0.000 0.328 46 W C 1.394 177.883 176.519 -0.049 0.000 1.205 46 W CA -0.697 56.636 57.345 -0.020 0.000 1.773 46 W CB 0.389 29.845 29.460 -0.007 0.000 1.086 46 W HN 0.159 nan 8.180 nan 0.000 0.622 47 Q N 1.772 121.621 119.800 0.081 0.000 2.642 47 Q HA 0.252 4.584 4.340 -0.015 0.000 0.319 47 Q C -0.561 175.404 176.000 -0.059 0.000 1.030 47 Q CA 0.177 55.964 55.803 -0.027 0.000 0.943 47 Q CB -0.554 28.152 28.738 -0.052 0.000 1.323 47 Q HN 0.264 nan 8.270 nan 0.000 0.419 48 L N -5.482 115.731 121.223 -0.017 0.000 3.020 48 L HA 0.481 4.812 4.340 -0.015 0.000 0.273 48 L C -1.092 175.789 176.870 0.018 0.000 1.018 48 L CA -1.207 53.616 54.840 -0.028 0.000 0.950 48 L CB 1.095 43.126 42.059 -0.046 0.000 1.510 48 L HN -0.172 nan 8.230 nan 0.000 0.404 49 D N -0.293 120.113 120.400 0.010 0.000 2.689 49 D HA -0.139 4.493 4.640 -0.015 0.000 0.237 49 D C -0.219 176.116 176.300 0.058 0.000 1.148 49 D CA 1.814 55.836 54.000 0.038 0.000 0.656 49 D CB -0.787 40.046 40.800 0.054 0.000 1.050 49 D HN 1.021 nan 8.370 nan 0.000 0.426 50 T N -1.267 113.303 114.554 0.026 0.000 2.923 50 T HA 0.548 4.889 4.350 -0.015 0.000 0.311 50 T C -2.564 172.122 174.700 -0.023 0.000 1.183 50 T CA -1.335 60.773 62.100 0.013 0.000 1.020 50 T CB 1.730 70.611 68.868 0.021 0.000 1.165 50 T HN -0.246 nan 8.240 nan 0.000 0.482 51 P HA 0.589 nan 4.420 nan 0.000 0.273 51 P C -1.461 175.746 177.300 -0.155 0.000 1.250 51 P CA -0.658 62.377 63.100 -0.108 0.000 0.793 51 P CB 0.383 31.961 31.700 -0.204 0.000 1.011 52 L N 0.635 121.735 121.223 -0.205 0.000 2.493 52 L HA 0.471 4.802 4.340 -0.015 0.000 0.265 52 L C -1.488 175.277 176.870 -0.174 0.000 0.954 52 L CA -0.390 54.379 54.840 -0.120 0.000 0.844 52 L CB 1.107 43.151 42.059 -0.026 0.000 1.302 52 L HN 0.172 nan 8.230 nan 0.000 0.405 53 F N 2.118 122.104 119.950 0.060 0.000 2.384 53 F HA 0.557 5.075 4.527 -0.015 0.000 0.338 53 F C 0.651 176.502 175.800 0.086 0.000 1.103 53 F CA -0.114 57.914 58.000 0.047 0.000 1.157 53 F CB 1.781 40.774 39.000 -0.013 0.000 1.167 53 F HN 0.353 nan 8.300 nan 0.000 0.529 54 T N 5.028 119.717 114.554 0.226 0.000 2.772 54 T HA 0.539 4.880 4.350 -0.015 0.000 0.288 54 T C -0.642 174.053 174.700 -0.008 0.000 0.994 54 T CA -0.495 61.629 62.100 0.040 0.000 0.951 54 T CB 0.488 69.372 68.868 0.027 0.000 0.933 54 T HN 0.181 nan 8.240 nan 0.000 0.447 55 L N 3.646 124.823 121.223 -0.076 0.000 2.305 55 L HA 0.571 4.902 4.340 -0.015 0.000 0.284 55 L C 0.301 176.991 176.870 -0.301 0.000 1.013 55 L CA -0.452 54.285 54.840 -0.172 0.000 0.819 55 L CB 1.316 43.351 42.059 -0.040 0.000 1.227 55 L HN 0.426 nan 8.230 nan 0.000 0.417 56 R N 3.174 123.433 120.500 -0.401 0.000 2.437 56 R HA 0.622 4.954 4.340 -0.015 0.000 0.310 56 R C -1.560 174.482 176.300 -0.430 0.000 0.955 56 R CA -0.447 55.476 56.100 -0.295 0.000 0.851 56 R CB 0.847 31.023 30.300 -0.207 0.000 1.161 56 R HN 0.351 nan 8.270 nan 0.000 0.446 57 F N 5.853 125.697 119.950 -0.176 0.000 2.469 57 F HA 0.534 5.053 4.527 -0.014 0.000 0.332 57 F C -0.324 175.046 175.800 -0.716 0.000 1.103 57 F CA -0.593 57.136 58.000 -0.453 0.000 0.979 57 F CB 1.393 40.018 39.000 -0.625 0.000 1.137 57 F HN 0.450 nan 8.300 nan 0.000 0.463 58 F N -0.373 119.161 119.950 -0.693 0.000 2.711 58 F HA 0.743 5.261 4.527 -0.015 0.000 0.313 58 F C -1.105 174.739 175.800 0.073 0.000 1.141 58 F CA -1.588 56.195 58.000 -0.362 0.000 0.941 58 F CB 1.509 40.444 39.000 -0.107 0.000 1.349 58 F HN 0.239 nan 8.300 nan 0.000 0.464 59 S N 1.555 117.458 115.700 0.339 0.000 2.707 59 S HA 0.558 5.019 4.470 -0.015 0.000 0.303 59 S C -2.187 172.498 174.600 0.142 0.000 1.132 59 S CA -1.404 56.911 58.200 0.192 0.000 1.046 59 S CB 1.510 64.877 63.200 0.278 0.000 1.004 59 S HN 0.590 nan 8.310 nan 0.000 0.483 60 P HA 0.168 nan 4.420 nan 0.000 0.235 60 P C -0.470 176.752 177.300 -0.130 0.000 1.177 60 P CA 0.502 63.590 63.100 -0.021 0.000 0.785 60 P CB 0.330 31.927 31.700 -0.173 0.000 0.885 61 Q N -0.561 119.108 119.800 -0.218 0.000 2.426 61 Q HA 0.154 4.485 4.340 -0.015 0.000 0.278 61 Q C -0.526 175.389 176.000 -0.142 0.000 1.007 61 Q CA -0.631 55.057 55.803 -0.191 0.000 0.850 61 Q CB 1.861 30.417 28.738 -0.303 0.000 1.427 61 Q HN 0.013 nan 8.270 nan 0.000 0.391 62 E N 0.345 120.488 120.200 -0.095 0.000 2.608 62 E HA 0.000 4.342 4.350 -0.015 0.000 0.259 62 E C 0.583 177.132 176.600 -0.085 0.000 0.951 62 E CA 1.864 58.218 56.400 -0.076 0.000 0.945 62 E CB 0.220 29.883 29.700 -0.062 0.000 0.916 62 E HN 0.812 nan 8.360 nan 0.000 0.477 63 G N 4.308 113.070 108.800 -0.064 0.000 2.153 63 G HA2 -0.250 3.702 3.960 -0.015 0.000 0.252 63 G HA3 -0.250 3.702 3.960 -0.015 0.000 0.252 63 G C 0.275 175.145 174.900 -0.050 0.000 0.994 63 G CA 0.461 45.533 45.100 -0.046 0.000 0.698 63 G HN 0.511 nan 8.290 nan 0.000 0.521 64 I N 0.197 120.715 120.570 -0.086 0.000 2.466 64 I HA 0.461 4.622 4.170 -0.015 0.000 0.289 64 I C -0.149 175.958 176.117 -0.016 0.000 1.026 64 I CA -1.154 60.082 61.300 -0.107 0.000 1.078 64 I CB 2.233 40.010 38.000 -0.372 0.000 1.249 64 I HN -0.140 nan 8.210 nan 0.000 0.429 65 V N 4.915 124.873 119.914 0.074 0.000 2.384 65 V HA 0.521 4.632 4.120 -0.015 0.000 0.287 65 V C 0.627 176.701 176.094 -0.033 0.000 1.020 65 V CA -0.508 61.872 62.300 0.134 0.000 0.850 65 V CB 1.595 33.617 31.823 0.331 0.000 0.987 65 V HN 0.891 nan 8.190 nan 0.000 0.436 66 G N 3.598 112.149 108.800 -0.414 0.000 2.372 66 G HA2 0.551 4.502 3.960 -0.015 0.000 0.283 66 G HA3 0.551 4.502 3.960 -0.015 0.000 0.283 66 G C -0.850 173.599 174.900 -0.752 0.000 1.177 66 G CA -0.288 44.202 45.100 -1.015 0.000 0.842 66 G HN 0.573 nan 8.290 nan 0.000 0.503 67 V N 2.937 122.426 119.914 -0.708 0.000 2.443 67 V HA 0.477 4.588 4.120 -0.015 0.000 0.293 67 V C 0.113 175.892 176.094 -0.524 0.000 1.021 67 V CA -0.883 60.993 62.300 -0.707 0.000 0.848 67 V CB 1.379 32.687 31.823 -0.859 0.000 0.998 67 V HN 0.819 nan 8.190 nan 0.000 0.424 68 R N 4.658 124.972 120.500 -0.310 0.000 2.343 68 R HA 0.732 5.063 4.340 -0.015 0.000 0.320 68 R C -1.134 175.104 176.300 -0.103 0.000 0.956 68 R CA -0.623 55.421 56.100 -0.093 0.000 0.836 68 R CB 1.536 31.810 30.300 -0.042 0.000 1.151 68 R HN 0.799 nan 8.270 nan 0.000 0.450 69 I N 2.214 122.808 120.570 0.040 0.000 2.406 69 I HA 0.408 4.569 4.170 -0.015 0.000 0.290 69 I C -1.237 175.011 176.117 0.217 0.000 0.999 69 I CA -0.047 61.296 61.300 0.071 0.000 1.124 69 I CB 1.788 39.794 38.000 0.011 0.000 1.289 69 I HN 0.643 nan 8.210 nan 0.000 0.441 70 E N 5.841 126.180 120.200 0.231 0.000 2.266 70 E HA 0.288 4.629 4.350 -0.015 0.000 0.268 70 E C -0.622 176.119 176.600 0.235 0.000 0.879 70 E CA -0.662 55.889 56.400 0.253 0.000 0.762 70 E CB 2.142 31.929 29.700 0.145 0.000 1.199 70 E HN 0.727 nan 8.360 nan 0.000 0.422 71 H N 2.675 121.740 119.070 -0.009 0.000 2.431 71 H HA 0.197 4.744 4.556 -0.015 0.000 0.335 71 H C -0.247 175.002 175.328 -0.132 0.000 1.259 71 H CA 0.148 55.980 56.048 -0.361 0.000 1.907 71 H CB 0.275 29.495 29.762 -0.904 0.000 1.549 71 H HN 0.309 nan 8.280 nan 0.000 0.633 72 F N 1.681 121.407 119.950 -0.373 0.000 2.396 72 F HA 0.189 4.708 4.527 -0.015 0.000 0.343 72 F C 1.345 177.083 175.800 -0.103 0.000 1.104 72 F CA -0.221 57.586 58.000 -0.322 0.000 1.161 72 F CB 1.469 40.309 39.000 -0.267 0.000 1.146 72 F HN 0.415 nan 8.300 nan 0.000 0.522 73 Q N 1.506 121.361 119.800 0.091 0.000 2.384 73 Q HA 0.122 4.453 4.340 -0.015 0.000 0.207 73 Q C 1.891 177.901 176.000 0.017 0.000 0.904 73 Q CA 0.372 56.196 55.803 0.035 0.000 0.933 73 Q CB 0.384 29.119 28.738 -0.005 0.000 1.077 73 Q HN 1.001 nan 8.270 nan 0.000 0.522 74 G N 0.457 109.257 108.800 0.000 0.000 2.920 74 G HA2 0.217 4.168 3.960 -0.015 0.000 0.208 74 G HA3 0.217 4.168 3.960 -0.015 0.000 0.208 74 G C 0.498 175.409 174.900 0.019 0.000 1.159 74 G CA 0.339 45.423 45.100 -0.025 0.000 0.784 74 G HN 0.318 nan 8.290 nan 0.000 0.535 75 A N -0.191 122.677 122.820 0.080 0.000 2.429 75 A HA 0.469 4.780 4.320 -0.015 0.000 0.242 75 A C 1.589 179.223 177.584 0.083 0.000 1.088 75 A CA -0.372 51.727 52.037 0.104 0.000 0.784 75 A CB 0.370 19.470 19.000 0.166 0.000 1.038 75 A HN 0.174 nan 8.150 nan 0.000 0.501 76 L N 0.341 121.614 121.223 0.084 0.000 1.970 76 L HA -0.207 4.124 4.340 -0.015 0.000 0.212 76 L C 0.611 177.536 176.870 0.092 0.000 1.071 76 L CA 1.964 56.848 54.840 0.074 0.000 0.751 76 L CB -0.723 41.377 42.059 0.069 0.000 0.889 76 L HN 0.959 nan 8.230 nan 0.000 0.432 77 N N 0.590 119.369 118.700 0.131 0.000 2.708 77 N HA -0.159 4.572 4.740 -0.015 0.000 0.255 77 N C -0.641 174.961 175.510 0.154 0.000 1.046 77 N CA -0.170 52.984 53.050 0.174 0.000 0.715 77 N CB -1.123 37.464 38.487 0.168 0.000 0.895 77 N HN 0.394 nan 8.380 nan 0.000 0.545 78 N N 0.310 119.072 118.700 0.103 0.000 2.483 78 N HA 0.306 5.038 4.740 -0.015 0.000 0.269 78 N C 1.125 176.584 175.510 -0.086 0.000 1.209 78 N CA 0.207 53.285 53.050 0.047 0.000 0.969 78 N CB 0.710 39.217 38.487 0.034 0.000 1.173 78 N HN 0.345 nan 8.380 nan 0.000 0.475 79 G N 0.459 109.123 108.800 -0.226 0.000 2.570 79 G HA2 0.239 4.191 3.960 -0.015 0.000 0.276 79 G HA3 0.239 4.191 3.960 -0.015 0.000 0.276 79 G C -2.341 172.346 174.900 -0.355 0.000 1.346 79 G CA -0.539 44.197 45.100 -0.606 0.000 1.034 79 G HN 0.347 nan 8.290 nan 0.000 0.512 80 P HA 0.228 nan 4.420 nan 0.000 0.276 80 P C -0.901 175.934 177.300 -0.776 0.000 1.252 80 P CA -0.146 62.623 63.100 -0.551 0.000 0.802 80 P CB 1.066 32.465 31.700 -0.502 0.000 1.035 81 H N -0.289 118.576 119.070 -0.342 0.000 2.616 81 H HA 0.280 4.827 4.556 -0.014 0.000 0.353 81 H C 0.099 175.218 175.328 -0.348 0.000 1.170 81 H CA -0.358 55.503 56.048 -0.312 0.000 1.212 81 H CB 0.268 29.942 29.762 -0.147 0.000 1.653 81 H HN 0.347 nan 8.280 nan 0.000 0.537 82 Y N 1.995 122.224 120.300 -0.120 0.000 2.702 82 Y HA -0.002 4.539 4.550 -0.015 0.000 0.336 82 Y C -1.451 174.306 175.900 -0.239 0.000 1.235 82 Y CA -1.766 56.212 58.100 -0.204 0.000 1.492 82 Y CB -0.088 38.287 38.460 -0.141 0.000 1.308 82 Y HN 0.343 nan 8.280 nan 0.000 0.589 83 P HA 0.091 nan 4.420 nan 0.000 0.225 83 P C -0.880 176.269 177.300 -0.252 0.000 1.813 83 P CA -0.118 62.867 63.100 -0.190 0.000 1.013 83 P CB -0.166 31.367 31.700 -0.278 0.000 1.961 84 L N 2.504 123.576 121.223 -0.253 0.000 2.349 84 L HA 0.228 4.560 4.340 -0.015 0.000 0.275 84 L C 0.874 177.616 176.870 -0.213 0.000 1.115 84 L CA 0.116 54.696 54.840 -0.433 0.000 0.820 84 L CB -0.111 41.659 42.059 -0.481 0.000 1.135 84 L HN 0.107 nan 8.230 nan 0.000 0.445 85 N N 5.138 123.725 118.700 -0.187 0.000 2.415 85 N HA 0.240 4.971 4.740 -0.015 0.000 0.250 85 N C -0.452 175.135 175.510 0.129 0.000 1.127 85 N CA 0.101 53.142 53.050 -0.015 0.000 0.945 85 N CB 0.726 39.197 38.487 -0.027 0.000 1.196 85 N HN 0.440 nan 8.380 nan 0.000 0.499 86 I N 3.627 124.261 120.570 0.107 0.000 2.330 86 I HA 0.219 4.380 4.170 -0.015 0.000 0.286 86 I C 0.415 176.586 176.117 0.090 0.000 1.025 86 I CA -0.586 60.804 61.300 0.150 0.000 1.197 86 I CB 0.982 39.086 38.000 0.172 0.000 1.358 86 I HN 0.152 nan 8.210 nan 0.000 0.467 87 L N 5.959 127.224 121.223 0.070 0.000 2.439 87 L HA 0.175 4.507 4.340 -0.015 0.000 0.269 87 L C 1.199 178.108 176.870 0.065 0.000 1.179 87 L CA -0.345 54.524 54.840 0.048 0.000 0.828 87 L CB 0.602 42.674 42.059 0.023 0.000 1.106 87 L HN 0.635 nan 8.230 nan 0.000 0.467 88 Q N 1.277 121.107 119.800 0.051 0.000 2.373 88 Q HA -0.008 4.324 4.340 -0.015 0.000 0.210 88 Q C 0.175 176.210 176.000 0.058 0.000 0.913 88 Q CA 0.671 56.508 55.803 0.057 0.000 0.911 88 Q CB 0.423 29.185 28.738 0.041 0.000 1.040 88 Q HN 0.756 nan 8.270 nan 0.000 0.521 89 D N -0.335 120.092 120.400 0.044 0.000 2.957 89 D HA 0.091 4.723 4.640 -0.015 0.000 0.352 89 D C -0.266 176.053 176.300 0.031 0.000 1.352 89 D CA -0.402 53.621 54.000 0.040 0.000 0.831 89 D CB 0.118 40.934 40.800 0.027 0.000 1.147 89 D HN -0.271 nan 8.370 nan 0.000 0.467 90 V N 1.152 121.090 119.914 0.041 0.000 2.617 90 V HA -0.063 4.048 4.120 -0.015 0.000 0.304 90 V C 1.034 177.135 176.094 0.012 0.000 1.040 90 V CA 0.122 62.435 62.300 0.022 0.000 1.149 90 V CB 0.625 32.468 31.823 0.035 0.000 0.914 90 V HN 0.272 nan 8.190 nan 0.000 0.487 91 K N 4.643 125.033 120.400 -0.016 0.000 2.383 91 K HA 0.401 4.712 4.320 -0.015 0.000 0.286 91 K C -0.503 176.052 176.600 -0.076 0.000 1.051 91 K CA -0.233 56.033 56.287 -0.035 0.000 0.974 91 K CB 0.700 33.176 32.500 -0.039 0.000 0.968 91 K HN 0.657 nan 8.250 nan 0.000 0.475 92 V N 0.378 120.234 119.914 -0.098 0.000 3.040 92 V HA 0.579 4.690 4.120 -0.015 0.000 0.312 92 V C -0.714 175.254 176.094 -0.211 0.000 1.115 92 V CA -0.805 61.359 62.300 -0.227 0.000 0.998 92 V CB 2.057 33.676 31.823 -0.340 0.000 1.042 92 V HN 0.656 nan 8.190 nan 0.000 0.433 93 T N 3.888 118.260 114.554 -0.304 0.000 2.807 93 T HA 0.715 5.056 4.350 -0.015 0.000 0.279 93 T C -0.442 174.122 174.700 -0.227 0.000 0.993 93 T CA -0.080 61.895 62.100 -0.208 0.000 0.970 93 T CB 0.982 69.748 68.868 -0.170 0.000 0.950 93 T HN 0.660 nan 8.240 nan 0.000 0.441 94 I N 3.056 123.570 120.570 -0.094 0.000 2.410 94 I HA 0.355 4.516 4.170 -0.015 0.000 0.286 94 I C 0.011 176.120 176.117 -0.013 0.000 1.009 94 I CA -0.609 60.682 61.300 -0.014 0.000 1.111 94 I CB 1.617 39.667 38.000 0.084 0.000 1.262 94 I HN 0.492 nan 8.210 nan 0.000 0.443 95 E N 4.946 125.134 120.200 -0.020 0.000 2.165 95 E HA 0.282 4.623 4.350 -0.015 0.000 0.266 95 E C -1.007 175.597 176.600 0.006 0.000 0.889 95 E CA -0.712 55.681 56.400 -0.011 0.000 0.756 95 E CB 2.269 31.955 29.700 -0.024 0.000 1.131 95 E HN 0.344 nan 8.360 nan 0.000 0.411 96 N N 2.599 121.307 118.700 0.014 0.000 2.569 96 N HA 0.153 4.885 4.740 -0.015 0.000 0.254 96 N C -1.028 174.489 175.510 0.011 0.000 1.004 96 N CA -0.189 52.872 53.050 0.018 0.000 0.904 96 N CB 0.983 39.484 38.487 0.023 0.000 1.165 96 N HN 0.484 nan 8.380 nan 0.000 0.513 97 T N -0.227 114.335 114.554 0.013 0.000 2.804 97 T HA 0.357 4.698 4.350 -0.015 0.000 0.272 97 T C 0.994 175.669 174.700 -0.041 0.000 0.986 97 T CA -0.364 61.732 62.100 -0.007 0.000 0.999 97 T CB 1.094 69.967 68.868 0.007 0.000 1.307 97 T HN 0.185 nan 8.240 nan 0.000 0.586 98 E N -0.104 120.058 120.200 -0.064 0.000 2.150 98 E HA -0.011 4.331 4.350 -0.015 0.000 0.193 98 E C 2.149 178.660 176.600 -0.148 0.000 0.985 98 E CA 1.320 57.670 56.400 -0.084 0.000 0.814 98 E CB -0.087 29.568 29.700 -0.074 0.000 0.752 98 E HN 0.625 nan 8.360 nan 0.000 0.466 99 R N -2.014 118.331 120.500 -0.258 0.000 2.175 99 R HA 0.222 4.553 4.340 -0.015 0.000 0.202 99 R C -0.173 175.739 176.300 -0.646 0.000 1.018 99 R CA 0.457 56.229 56.100 -0.547 0.000 1.029 99 R CB 0.456 30.219 30.300 -0.895 0.000 0.959 99 R HN 0.094 nan 8.270 nan 0.000 0.480 100 Y N -1.740 118.519 120.300 -0.068 0.000 2.588 100 Y HA 0.625 5.166 4.550 -0.014 0.000 0.343 100 Y C -0.899 174.938 175.900 -0.105 0.000 1.065 100 Y CA -1.634 56.401 58.100 -0.109 0.000 1.038 100 Y CB 2.030 40.417 38.460 -0.122 0.000 1.297 100 Y HN -0.170 nan 8.280 nan 0.000 0.467 101 A N 1.744 124.588 122.820 0.041 0.000 2.318 101 A HA 0.684 4.995 4.320 -0.015 0.000 0.317 101 A C -1.175 176.326 177.584 -0.138 0.000 1.159 101 A CA -0.562 51.452 52.037 -0.038 0.000 0.799 101 A CB 1.284 20.254 19.000 -0.051 0.000 1.194 101 A HN 0.758 nan 8.150 nan 0.000 0.479 102 E N 2.052 122.184 120.200 -0.113 0.000 2.275 102 E HA 0.572 4.913 4.350 -0.015 0.000 0.270 102 E C -2.054 174.492 176.600 -0.091 0.000 0.882 102 E CA -0.471 55.826 56.400 -0.171 0.000 0.758 102 E CB 1.389 30.988 29.700 -0.170 0.000 1.195 102 E HN 0.553 nan 8.360 nan 0.000 0.419 103 F N 4.286 124.073 119.950 -0.272 0.000 2.467 103 F HA 0.519 5.038 4.527 -0.015 0.000 0.336 103 F C -1.095 174.636 175.800 -0.115 0.000 1.123 103 F CA -0.578 57.325 58.000 -0.162 0.000 0.964 103 F CB 1.179 40.088 39.000 -0.152 0.000 1.136 103 F HN 0.318 nan 8.300 nan 0.000 0.447 104 K N 4.227 124.236 120.400 -0.652 0.000 2.378 104 K HA 0.596 4.907 4.320 -0.015 0.000 0.252 104 K C -1.637 174.653 176.600 -0.516 0.000 0.931 104 K CA -0.665 55.367 56.287 -0.424 0.000 0.794 104 K CB 1.926 34.276 32.500 -0.250 0.000 1.181 104 K HN 0.607 nan 8.250 nan 0.000 0.425 105 S N 2.559 118.096 115.700 -0.271 0.000 2.672 105 S HA 0.599 5.060 4.470 -0.015 0.000 0.291 105 S C 0.178 174.717 174.600 -0.101 0.000 1.145 105 S CA 0.476 58.567 58.200 -0.182 0.000 1.013 105 S CB 0.912 64.064 63.200 -0.080 0.000 1.017 105 S HN 1.055 nan 8.310 nan 0.000 0.487 106 G N 5.292 114.035 108.800 -0.096 0.000 2.622 106 G HA2 -0.328 3.624 3.960 -0.015 0.000 0.307 106 G HA3 -0.328 3.624 3.960 -0.015 0.000 0.307 106 G C 0.526 175.386 174.900 -0.067 0.000 1.226 106 G CA 0.602 45.661 45.100 -0.069 0.000 0.997 106 G HN 0.702 nan 8.290 nan 0.000 0.551 107 N N 0.243 118.915 118.700 -0.047 0.000 2.336 107 N HA 0.164 4.896 4.740 -0.015 0.000 0.189 107 N C 0.430 175.920 175.510 -0.033 0.000 1.113 107 N CA 0.360 53.386 53.050 -0.041 0.000 0.858 107 N CB 0.382 38.852 38.487 -0.028 0.000 0.970 107 N HN 0.407 nan 8.380 nan 0.000 0.471 108 L N 1.335 122.543 121.223 -0.024 0.000 2.282 108 L HA 0.356 4.687 4.340 -0.015 0.000 0.288 108 L C 0.019 176.895 176.870 0.010 0.000 1.033 108 L CA -0.438 54.409 54.840 0.012 0.000 0.807 108 L CB 1.240 43.325 42.059 0.043 0.000 1.209 108 L HN -0.008 nan 8.230 nan 0.000 0.423 109 S N 3.711 119.420 115.700 0.014 0.000 2.599 109 S HA 0.975 5.436 4.470 -0.015 0.000 0.294 109 S C -0.678 173.928 174.600 0.010 0.000 1.094 109 S CA -0.454 57.738 58.200 -0.012 0.000 0.931 109 S CB 1.769 64.903 63.200 -0.109 0.000 1.093 109 S HN 0.991 nan 8.310 nan 0.000 0.488 110 A N 1.339 124.122 122.820 -0.062 0.000 2.318 110 A HA 0.814 5.126 4.320 -0.015 0.000 0.317 110 A C -0.266 177.026 177.584 -0.487 0.000 1.159 110 A CA -0.818 51.005 52.037 -0.358 0.000 0.799 110 A CB 0.933 19.759 19.000 -0.290 0.000 1.194 110 A HN 0.867 nan 8.150 nan 0.000 0.479 111 R N 2.385 122.559 120.500 -0.543 0.000 2.513 111 R HA 0.624 4.955 4.340 -0.015 0.000 0.301 111 R C -1.805 174.202 176.300 -0.487 0.000 0.968 111 R CA -0.338 55.478 56.100 -0.474 0.000 0.872 111 R CB 1.771 31.793 30.300 -0.463 0.000 1.177 111 R HN 0.502 nan 8.270 nan 0.000 0.444 112 V N 2.819 122.475 119.914 -0.429 0.000 2.513 112 V HA 0.366 4.477 4.120 -0.015 0.000 0.299 112 V C -0.163 175.779 176.094 -0.254 0.000 1.035 112 V CA -0.727 61.284 62.300 -0.481 0.000 0.889 112 V CB 1.957 33.471 31.823 -0.514 0.000 0.988 112 V HN 0.793 nan 8.190 nan 0.000 0.440 113 S N 4.286 119.820 115.700 -0.277 0.000 2.513 113 S HA 0.409 4.870 4.470 -0.015 0.000 0.276 113 S C 0.023 174.572 174.600 -0.084 0.000 1.254 113 S CA -0.733 57.451 58.200 -0.026 0.000 1.053 113 S CB 0.662 63.887 63.200 0.042 0.000 0.958 113 S HN 0.624 nan 8.310 nan 0.000 0.491 114 K N 1.448 121.815 120.400 -0.055 0.000 2.117 114 K HA 0.637 4.948 4.320 -0.015 0.000 0.240 114 K C 0.948 177.562 176.600 0.022 0.000 1.031 114 K CA -0.124 56.162 56.287 -0.002 0.000 0.909 114 K CB 0.397 32.877 32.500 -0.034 0.000 1.097 114 K HN 0.861 nan 8.250 nan 0.000 0.492 115 G N 0.634 109.464 108.800 0.050 0.000 2.545 115 G HA2 -0.280 3.672 3.960 -0.015 0.000 0.216 115 G HA3 -0.280 3.672 3.960 -0.015 0.000 0.216 115 G C 0.484 175.393 174.900 0.015 0.000 1.314 115 G CA 0.173 45.289 45.100 0.026 0.000 0.906 115 G HN 0.715 nan 8.290 nan 0.000 0.563 116 E N -0.724 119.412 120.200 -0.106 0.000 2.274 116 E HA 0.074 4.415 4.350 -0.015 0.000 0.194 116 E C 0.220 176.550 176.600 -0.450 0.000 0.996 116 E CA 0.529 56.735 56.400 -0.323 0.000 0.840 116 E CB -0.033 29.338 29.700 -0.548 0.000 0.772 116 E HN 0.291 nan 8.360 nan 0.000 0.491 117 F N 1.146 121.148 119.950 0.087 0.000 2.310 117 F HA 0.187 4.705 4.527 -0.015 0.000 0.365 117 F C 0.063 175.944 175.800 0.135 0.000 1.080 117 F CA -0.957 57.103 58.000 0.099 0.000 1.187 117 F CB 0.178 39.210 39.000 0.053 0.000 1.465 117 F HN 0.053 nan 8.300 nan 0.000 0.496 118 W N 3.202 124.576 121.300 0.123 0.000 2.223 118 W HA 0.363 5.014 4.660 -0.015 0.000 0.334 118 W C -0.704 175.868 176.519 0.089 0.000 1.334 118 W CA 0.542 57.939 57.345 0.088 0.000 1.246 118 W CB 1.235 30.725 29.460 0.050 0.000 1.184 118 W HN 0.386 nan 8.180 nan 0.000 0.563 119 S N 6.221 121.586 115.700 -0.559 0.000 2.533 119 S HA 0.510 4.972 4.470 -0.015 0.000 0.271 119 S C -1.535 172.656 174.600 -0.682 0.000 1.143 119 S CA -0.826 57.138 58.200 -0.395 0.000 0.891 119 S CB 1.147 64.251 63.200 -0.160 0.000 1.105 119 S HN 0.516 nan 8.310 nan 0.000 0.468 120 L N 3.786 124.772 121.223 -0.396 0.000 2.325 120 L HA 0.635 4.966 4.340 -0.015 0.000 0.281 120 L C -1.478 175.182 176.870 -0.349 0.000 1.004 120 L CA -0.386 54.227 54.840 -0.379 0.000 0.823 120 L CB 1.038 43.026 42.059 -0.118 0.000 1.236 120 L HN 0.637 nan 8.230 nan 0.000 0.415 121 D N 4.766 124.875 120.400 -0.484 0.000 2.646 121 D HA 0.363 4.995 4.640 -0.015 0.000 0.245 121 D C -1.154 174.802 176.300 -0.573 0.000 1.099 121 D CA -0.050 53.713 54.000 -0.394 0.000 0.849 121 D CB 2.243 42.877 40.800 -0.278 0.000 1.448 121 D HN 0.184 nan 8.370 nan 0.000 0.489 122 F N 1.727 121.620 119.950 -0.094 0.000 2.411 122 F HA 0.319 4.838 4.527 -0.014 0.000 0.352 122 F C -0.128 175.596 175.800 -0.126 0.000 1.123 122 F CA -0.768 57.172 58.000 -0.099 0.000 1.044 122 F CB 0.985 39.923 39.000 -0.103 0.000 1.135 122 F HN -0.031 nan 8.300 nan 0.000 0.461 123 L N 3.671 124.898 121.223 0.007 0.000 2.346 123 L HA 0.527 4.859 4.340 -0.015 0.000 0.274 123 L C -0.146 176.714 176.870 -0.018 0.000 1.007 123 L CA -0.967 53.849 54.840 -0.041 0.000 0.818 123 L CB 1.769 43.764 42.059 -0.107 0.000 1.284 123 L HN 0.584 nan 8.230 nan 0.000 0.424 124 R N 2.533 123.021 120.500 -0.019 0.000 2.288 124 R HA 0.307 4.638 4.340 -0.015 0.000 0.326 124 R C -0.327 175.958 176.300 -0.026 0.000 0.959 124 R CA -0.330 55.763 56.100 -0.012 0.000 0.834 124 R CB 0.089 30.393 30.300 0.007 0.000 1.157 124 R HN 0.771 nan 8.270 nan 0.000 0.470 125 N N 3.290 121.968 118.700 -0.037 0.000 2.686 125 N HA -0.258 4.473 4.740 -0.015 0.000 0.261 125 N C 0.613 176.091 175.510 -0.053 0.000 1.001 125 N CA 0.803 53.826 53.050 -0.045 0.000 0.764 125 N CB -0.591 37.875 38.487 -0.034 0.000 0.898 125 N HN 1.088 nan 8.380 nan 0.000 0.544 126 G N -1.287 107.470 108.800 -0.072 0.000 2.184 126 G HA2 -0.341 3.610 3.960 -0.015 0.000 0.264 126 G HA3 -0.341 3.610 3.960 -0.015 0.000 0.264 126 G C -0.204 174.649 174.900 -0.078 0.000 0.975 126 G CA 0.499 45.546 45.100 -0.089 0.000 0.642 126 G HN 0.465 nan 8.290 nan 0.000 0.536 127 E N 0.354 120.521 120.200 -0.055 0.000 2.156 127 E HA 0.375 4.716 4.350 -0.015 0.000 0.279 127 E C 0.438 177.015 176.600 -0.038 0.000 0.965 127 E CA -0.819 55.557 56.400 -0.040 0.000 0.789 127 E CB 1.254 30.942 29.700 -0.020 0.000 1.098 127 E HN 0.424 nan 8.360 nan 0.000 0.397 128 R N 3.505 123.981 120.500 -0.040 0.000 2.351 128 R HA 0.086 4.417 4.340 -0.015 0.000 0.318 128 R C 1.317 177.610 176.300 -0.011 0.000 1.055 128 R CA 0.102 56.181 56.100 -0.035 0.000 0.968 128 R CB -0.014 30.262 30.300 -0.040 0.000 0.974 128 R HN 0.622 nan 8.270 nan 0.000 0.439 129 I N -0.208 120.348 120.570 -0.023 0.000 3.081 129 I HA 0.242 4.403 4.170 -0.015 0.000 0.274 129 I C 0.752 176.812 176.117 -0.094 0.000 1.178 129 I CA -0.014 61.261 61.300 -0.041 0.000 1.460 129 I CB 0.552 38.497 38.000 -0.092 0.000 1.137 129 I HN 0.500 nan 8.210 nan 0.000 0.443 130 T N -1.012 113.482 114.554 -0.100 0.000 2.649 130 T HA 0.695 5.036 4.350 -0.015 0.000 0.305 130 T C -0.921 173.877 174.700 0.162 0.000 1.409 130 T CA 0.034 62.130 62.100 -0.007 0.000 1.021 130 T CB 1.178 69.958 68.868 -0.148 0.000 1.726 130 T HN 0.724 nan 8.240 nan 0.000 0.475 131 G N 0.479 109.428 108.800 0.248 0.000 2.341 131 G HA2 0.438 4.389 3.960 -0.015 0.000 0.293 131 G HA3 0.438 4.389 3.960 -0.015 0.000 0.293 131 G C -1.338 173.687 174.900 0.208 0.000 1.298 131 G CA 0.327 45.609 45.100 0.302 0.000 0.868 131 G HN 1.114 nan 8.290 nan 0.000 0.540 132 S N -0.497 115.302 115.700 0.166 0.000 2.552 132 S HA 0.601 5.063 4.470 -0.015 0.000 0.314 132 S C 0.002 174.672 174.600 0.118 0.000 1.099 132 S CA -0.326 57.956 58.200 0.137 0.000 1.070 132 S CB 1.029 64.336 63.200 0.179 0.000 0.998 132 S HN 0.595 nan 8.310 nan 0.000 0.474 133 Q N 1.981 121.835 119.800 0.090 0.000 2.312 133 Q HA 0.349 4.681 4.340 -0.015 0.000 0.236 133 Q C 0.025 176.109 176.000 0.140 0.000 0.965 133 Q CA -0.597 55.267 55.803 0.101 0.000 0.894 133 Q CB 1.124 29.894 28.738 0.053 0.000 1.225 133 Q HN 0.606 nan 8.270 nan 0.000 0.478 134 V N 2.492 122.527 119.914 0.203 0.000 2.694 134 V HA -0.136 3.975 4.120 -0.015 0.000 0.306 134 V C 0.182 176.234 176.094 -0.072 0.000 1.054 134 V CA 1.017 63.421 62.300 0.174 0.000 1.161 134 V CB -0.304 31.656 31.823 0.228 0.000 0.916 134 V HN 0.853 nan 8.190 nan 0.000 0.490 135 K N 3.302 123.540 120.400 -0.269 0.000 3.446 135 K HA -0.166 4.145 4.320 -0.015 0.000 0.312 135 K C 0.510 176.896 176.600 -0.356 0.000 1.329 135 K CA 1.186 57.066 56.287 -0.679 0.000 0.935 135 K CB -1.414 30.682 32.500 -0.674 0.000 1.281 135 K HN 0.836 nan 8.250 nan 0.000 0.457 136 N N 0.988 119.603 118.700 -0.141 0.000 2.204 136 N HA 0.021 4.753 4.740 -0.015 0.000 0.219 136 N C -0.373 174.977 175.510 -0.266 0.000 1.151 136 N CA 0.219 53.258 53.050 -0.018 0.000 0.867 136 N CB 0.372 38.858 38.487 -0.001 0.000 1.043 136 N HN 0.451 nan 8.380 nan 0.000 0.516 137 N N -0.654 117.743 118.700 -0.506 0.000 2.774 137 N HA 0.697 5.428 4.740 -0.015 0.000 0.264 137 N C 0.215 175.128 175.510 -0.995 0.000 1.415 137 N CA -0.430 51.985 53.050 -1.059 0.000 0.815 137 N CB 1.543 39.718 38.487 -0.520 0.000 1.514 137 N HN -0.014 nan 8.380 nan 0.000 0.523 138 G N -1.451 106.728 108.800 -1.035 0.000 2.247 138 G HA2 0.134 4.085 3.960 -0.015 0.000 0.229 138 G HA3 0.134 4.085 3.960 -0.015 0.000 0.229 138 G C -2.318 172.624 174.900 0.069 0.000 1.345 138 G CA -0.653 44.124 45.100 -0.538 0.000 1.100 138 G HN 0.778 nan 8.290 nan 0.000 0.473 139 Y N 0.282 120.695 120.300 0.188 0.000 2.376 139 Y HA 0.673 5.215 4.550 -0.014 0.000 0.340 139 Y C -0.281 175.684 175.900 0.109 0.000 0.965 139 Y CA -1.003 57.193 58.100 0.160 0.000 1.078 139 Y CB 2.221 40.679 38.460 -0.003 0.000 1.193 139 Y HN 0.519 nan 8.280 nan 0.000 0.452 140 V N 6.760 126.535 119.914 -0.232 0.000 2.357 140 V HA 0.294 4.405 4.120 -0.015 0.000 0.284 140 V C -0.546 175.248 176.094 -0.499 0.000 1.018 140 V CA -0.802 61.341 62.300 -0.261 0.000 0.841 140 V CB 1.334 33.086 31.823 -0.118 0.000 0.991 140 V HN 0.757 nan 8.190 nan 0.000 0.437 141 Q N 3.674 123.224 119.800 -0.418 0.000 2.390 141 Q HA 0.234 4.566 4.340 -0.015 0.000 0.249 141 Q C -0.776 175.141 176.000 -0.138 0.000 0.996 141 Q CA -0.517 55.093 55.803 -0.322 0.000 0.899 141 Q CB 1.030 29.636 28.738 -0.219 0.000 1.216 141 Q HN 0.765 nan 8.270 nan 0.000 0.465 142 D N 3.471 123.831 120.400 -0.066 0.000 2.380 142 D HA 0.035 4.667 4.640 -0.015 0.000 0.230 142 D C 0.778 177.069 176.300 -0.015 0.000 1.154 142 D CA -0.111 53.884 54.000 -0.008 0.000 0.859 142 D CB 1.364 42.231 40.800 0.113 0.000 1.045 142 D HN 0.712 nan 8.370 nan 0.000 0.495 143 T N 0.867 115.406 114.554 -0.024 0.000 3.113 143 T HA -0.018 4.323 4.350 -0.015 0.000 0.256 143 T C 1.227 175.922 174.700 -0.009 0.000 1.131 143 T CA 0.151 62.242 62.100 -0.015 0.000 1.074 143 T CB 0.122 68.981 68.868 -0.014 0.000 0.944 143 T HN 0.186 nan 8.240 nan 0.000 0.516 144 N N 3.200 121.894 118.700 -0.010 0.000 2.171 144 N HA -0.060 4.671 4.740 -0.015 0.000 0.184 144 N C 1.410 176.920 175.510 -0.000 0.000 1.021 144 N CA 1.569 54.614 53.050 -0.008 0.000 0.854 144 N CB -0.274 38.203 38.487 -0.017 0.000 0.994 144 N HN 0.732 nan 8.380 nan 0.000 0.426 145 N N 0.350 119.055 118.700 0.009 0.000 2.177 145 N HA -0.012 4.720 4.740 -0.015 0.000 0.218 145 N C -0.495 175.019 175.510 0.007 0.000 1.182 145 N CA 0.083 53.141 53.050 0.014 0.000 0.882 145 N CB 0.220 38.725 38.487 0.029 0.000 1.052 145 N HN -0.195 nan 8.380 nan 0.000 0.519 146 Q N -0.552 119.248 119.800 0.000 0.000 2.461 146 Q HA -0.243 4.088 4.340 -0.015 0.000 0.273 146 Q C -0.841 175.135 176.000 -0.041 0.000 1.163 146 Q CA 0.991 56.787 55.803 -0.011 0.000 0.929 146 Q CB -2.476 26.262 28.738 -0.001 0.000 1.334 146 Q HN 0.668 nan 8.270 nan 0.000 0.499 147 R N 0.569 121.032 120.500 -0.062 0.000 2.668 147 R HA 0.580 4.911 4.340 -0.015 0.000 0.279 147 R C 0.051 176.149 176.300 -0.337 0.000 0.976 147 R CA -0.811 55.162 56.100 -0.211 0.000 0.978 147 R CB 1.063 31.219 30.300 -0.239 0.000 1.133 147 R HN 0.041 nan 8.270 nan 0.000 0.484 148 N N 1.585 119.971 118.700 -0.523 0.000 2.314 148 N HA 0.359 5.090 4.740 -0.015 0.000 0.304 148 N C -1.361 173.715 175.510 -0.723 0.000 1.073 148 N CA -0.408 52.324 53.050 -0.529 0.000 0.822 148 N CB 1.829 40.140 38.487 -0.293 0.000 1.280 148 N HN 0.403 nan 8.380 nan 0.000 0.489 149 Y N 0.226 120.360 120.300 -0.277 0.000 2.545 149 Y HA 0.494 5.035 4.550 -0.015 0.000 0.348 149 Y C 0.158 176.045 175.900 -0.023 0.000 1.002 149 Y CA -0.994 57.029 58.100 -0.130 0.000 1.039 149 Y CB 1.745 40.126 38.460 -0.132 0.000 1.271 149 Y HN 0.158 nan 8.280 nan 0.000 0.467 150 M N 3.569 123.293 119.600 0.207 0.000 2.436 150 M HA 0.487 4.958 4.480 -0.015 0.000 0.331 150 M C -0.990 175.450 176.300 0.234 0.000 1.135 150 M CA -0.736 54.703 55.300 0.232 0.000 0.987 150 M CB 1.366 34.061 32.600 0.159 0.000 1.687 150 M HN 0.735 nan 8.290 nan 0.000 0.445 151 F N 0.202 120.142 119.950 -0.016 0.000 2.662 151 F HA 0.875 5.393 4.527 -0.015 0.000 0.312 151 F C -1.274 174.404 175.800 -0.204 0.000 1.113 151 F CA -0.971 56.952 58.000 -0.129 0.000 0.951 151 F CB 1.654 40.569 39.000 -0.141 0.000 1.344 151 F HN 0.544 nan 8.300 nan 0.000 0.462 152 E N 0.788 120.681 120.200 -0.510 0.000 2.372 152 E HA 0.530 4.871 4.350 -0.015 0.000 0.279 152 E C -1.934 174.294 176.600 -0.620 0.000 0.946 152 E CA -0.700 55.285 56.400 -0.693 0.000 0.769 152 E CB 1.962 31.167 29.700 -0.825 0.000 1.230 152 E HN 0.749 nan 8.360 nan 0.000 0.442 153 R N 3.524 123.828 120.500 -0.326 0.000 2.451 153 R HA 0.501 4.832 4.340 -0.015 0.000 0.307 153 R C -0.640 175.616 176.300 -0.073 0.000 0.965 153 R CA -0.693 55.303 56.100 -0.172 0.000 0.865 153 R CB 1.130 31.418 30.300 -0.020 0.000 1.174 153 R HN 0.398 nan 8.270 nan 0.000 0.455 154 L N 3.134 124.359 121.223 0.002 0.000 2.275 154 L HA 0.295 4.626 4.340 -0.015 0.000 0.288 154 L C -0.095 176.860 176.870 0.142 0.000 1.046 154 L CA -0.944 53.974 54.840 0.131 0.000 0.805 154 L CB 1.172 43.380 42.059 0.249 0.000 1.193 154 L HN 0.421 nan 8.230 nan 0.000 0.426 155 D N 3.585 124.060 120.400 0.125 0.000 2.449 155 D HA 0.234 4.866 4.640 -0.015 0.000 0.236 155 D C -0.225 176.157 176.300 0.137 0.000 1.149 155 D CA 0.503 54.564 54.000 0.101 0.000 0.878 155 D CB 1.021 41.870 40.800 0.082 0.000 1.198 155 D HN 0.244 nan 8.370 nan 0.000 0.446 156 L N 1.421 122.701 121.223 0.095 0.000 2.333 156 L HA 0.472 4.803 4.340 -0.015 0.000 0.280 156 L C 1.126 178.037 176.870 0.069 0.000 1.004 156 L CA -0.799 54.097 54.840 0.094 0.000 0.820 156 L CB 1.950 44.034 42.059 0.041 0.000 1.247 156 L HN 0.337 nan 8.230 nan 0.000 0.416 157 G N 1.919 110.768 108.800 0.081 0.000 2.588 157 G HA2 0.378 4.330 3.960 -0.015 0.000 0.278 157 G HA3 0.378 4.330 3.960 -0.015 0.000 0.278 157 G C -0.173 174.751 174.900 0.040 0.000 1.307 157 G CA -0.557 44.577 45.100 0.058 0.000 1.016 157 G HN 0.292 nan 8.290 nan 0.000 0.503 158 V N 0.901 120.835 119.914 0.033 0.000 2.493 158 V HA 0.364 4.476 4.120 -0.015 0.000 0.292 158 V C 1.612 177.725 176.094 0.032 0.000 1.016 158 V CA 1.685 64.001 62.300 0.027 0.000 1.097 158 V CB 0.258 32.094 31.823 0.022 0.000 0.947 158 V HN 1.769 nan 8.190 nan 0.000 0.479 159 G N 3.654 112.474 108.800 0.034 0.000 2.155 159 G HA2 -0.279 3.673 3.960 -0.015 0.000 0.257 159 G HA3 -0.279 3.673 3.960 -0.015 0.000 0.257 159 G C 0.169 175.084 174.900 0.025 0.000 0.983 159 G CA 0.449 45.573 45.100 0.041 0.000 0.676 159 G HN 0.811 nan 8.290 nan 0.000 0.528 160 E N 1.246 121.458 120.200 0.019 0.000 2.289 160 E HA 0.521 4.863 4.350 -0.015 0.000 0.278 160 E C 0.629 177.199 176.600 -0.050 0.000 1.032 160 E CA 0.259 56.663 56.400 0.007 0.000 0.854 160 E CB 0.455 30.181 29.700 0.045 0.000 1.046 160 E HN 0.388 nan 8.360 nan 0.000 0.409 161 T N 0.287 114.787 114.554 -0.091 0.000 2.887 161 T HA 0.586 4.927 4.350 -0.015 0.000 0.288 161 T C -0.450 174.039 174.700 -0.351 0.000 1.021 161 T CA -0.900 61.042 62.100 -0.264 0.000 1.000 161 T CB 1.578 70.210 68.868 -0.394 0.000 1.034 161 T HN 0.153 nan 8.240 nan 0.000 0.467 162 V N 2.341 121.899 119.914 -0.592 0.000 2.628 162 V HA 0.630 4.742 4.120 -0.015 0.000 0.306 162 V C -1.303 174.304 176.094 -0.811 0.000 1.045 162 V CA -0.856 61.141 62.300 -0.506 0.000 0.905 162 V CB 1.156 32.730 31.823 -0.415 0.000 0.997 162 V HN 0.949 nan 8.190 nan 0.000 0.436 163 Y N 1.296 121.465 120.300 -0.218 0.000 2.605 163 Y HA 0.848 5.389 4.550 -0.015 0.000 0.343 163 Y C 0.830 176.585 175.900 -0.241 0.000 1.036 163 Y CA 0.373 58.343 58.100 -0.217 0.000 1.065 163 Y CB 2.240 40.580 38.460 -0.201 0.000 1.288 163 Y HN 0.982 nan 8.280 nan 0.000 0.481 164 G N 0.206 108.967 108.800 -0.065 0.000 2.578 164 G HA2 -0.222 3.729 3.960 -0.015 0.000 0.232 164 G HA3 -0.222 3.729 3.960 -0.015 0.000 0.232 164 G C -0.085 174.707 174.900 -0.179 0.000 1.176 164 G CA -0.223 44.804 45.100 -0.120 0.000 0.968 164 G HN 1.163 nan 8.290 nan 0.000 0.583 165 L N 0.122 121.228 121.223 -0.194 0.000 4.040 165 L HA 0.031 4.362 4.340 -0.015 0.000 0.410 165 L C 1.436 178.227 176.870 -0.133 0.000 1.187 165 L CA 1.596 56.303 54.840 -0.222 0.000 0.956 165 L CB -1.668 40.169 42.059 -0.370 0.000 2.022 165 L HN 2.887 nan 8.230 nan 0.000 0.897 166 G N -0.251 108.487 108.800 -0.104 0.000 2.549 166 G HA2 -0.184 3.768 3.960 -0.015 0.000 0.404 166 G HA3 -0.184 3.768 3.960 -0.015 0.000 0.404 166 G C -0.466 174.276 174.900 -0.263 0.000 1.292 166 G CA 0.009 45.023 45.100 -0.144 0.000 0.935 166 G HN 0.319 nan 8.290 nan 0.000 0.512 167 E N 0.937 120.926 120.200 -0.351 0.000 1.944 167 E HA 0.377 4.718 4.350 -0.015 0.000 0.272 167 E C 0.594 176.802 176.600 -0.654 0.000 1.195 167 E CA -0.103 55.999 56.400 -0.497 0.000 0.926 167 E CB -0.001 29.444 29.700 -0.424 0.000 1.051 167 E HN 0.458 nan 8.360 nan 0.000 0.404 168 R N 3.179 123.289 120.500 -0.650 0.000 2.832 168 R HA 0.359 4.690 4.340 -0.015 0.000 0.271 168 R C -0.215 175.686 176.300 -0.664 0.000 0.996 168 R CA -0.693 55.059 56.100 -0.580 0.000 0.977 168 R CB 0.852 30.998 30.300 -0.257 0.000 1.168 168 R HN 0.464 nan 8.270 nan 0.000 0.482 169 F N -0.474 119.469 119.950 -0.011 0.000 2.688 169 F HA 0.082 4.601 4.527 -0.014 0.000 0.310 169 F C 1.242 177.041 175.800 -0.002 0.000 1.098 169 F CA -0.452 57.555 58.000 0.011 0.000 1.228 169 F CB 0.463 39.497 39.000 0.056 0.000 1.042 169 F HN 0.479 nan 8.300 nan 0.000 0.557 170 T N -0.828 113.782 114.554 0.094 0.000 2.729 170 T HA 0.591 4.932 4.350 -0.015 0.000 0.298 170 T C 0.777 175.480 174.700 0.006 0.000 1.013 170 T CA -0.545 61.581 62.100 0.043 0.000 0.957 170 T CB 0.651 69.523 68.868 0.008 0.000 1.130 170 T HN 0.177 nan 8.240 nan 0.000 0.526 171 A N 0.359 123.174 122.820 -0.008 0.000 2.587 171 A HA 0.228 4.540 4.320 -0.015 0.000 0.235 171 A C 1.373 178.931 177.584 -0.043 0.000 1.044 171 A CA -0.321 51.707 52.037 -0.015 0.000 0.754 171 A CB -0.607 18.387 19.000 -0.011 0.000 0.968 171 A HN 0.999 nan 8.150 nan 0.000 0.509 172 L N 4.051 125.257 121.223 -0.028 0.000 2.012 172 L HA -0.053 4.278 4.340 -0.015 0.000 0.210 172 L C 0.979 177.767 176.870 -0.137 0.000 1.073 172 L CA 1.739 56.550 54.840 -0.047 0.000 0.748 172 L CB -0.289 41.781 42.059 0.019 0.000 0.891 172 L HN 0.471 nan 8.230 nan 0.000 0.431 173 V N 0.835 120.643 119.914 -0.176 0.000 2.508 173 V HA 0.055 4.166 4.120 -0.015 0.000 0.281 173 V C 1.364 177.294 176.094 -0.273 0.000 1.041 173 V CA -0.001 62.059 62.300 -0.400 0.000 1.016 173 V CB 1.057 32.654 31.823 -0.376 0.000 0.984 173 V HN 0.318 nan 8.190 nan 0.000 0.478 174 R N 2.810 123.097 120.500 -0.354 0.000 2.275 174 R HA 0.097 4.429 4.340 -0.015 0.000 0.199 174 R C 0.460 176.642 176.300 -0.198 0.000 0.989 174 R CA 0.071 56.016 56.100 -0.258 0.000 1.016 174 R CB -0.218 29.894 30.300 -0.314 0.000 0.918 174 R HN 0.743 nan 8.270 nan 0.000 0.473 175 N N -0.002 118.583 118.700 -0.192 0.000 2.411 175 N HA 0.151 4.882 4.740 -0.015 0.000 0.261 175 N C 0.834 176.294 175.510 -0.083 0.000 1.248 175 N CA 1.452 54.424 53.050 -0.130 0.000 0.885 175 N CB 0.869 39.300 38.487 -0.094 0.000 1.062 175 N HN 0.289 nan 8.380 nan 0.000 0.471 176 G N 0.941 109.697 108.800 -0.073 0.000 2.213 176 G HA2 -0.247 3.704 3.960 -0.015 0.000 0.226 176 G HA3 -0.247 3.704 3.960 -0.015 0.000 0.226 176 G C -0.132 174.736 174.900 -0.052 0.000 0.992 176 G CA -0.357 44.711 45.100 -0.055 0.000 0.632 176 G HN 0.564 nan 8.290 nan 0.000 0.511 177 Q N 0.902 120.663 119.800 -0.064 0.000 2.245 177 Q HA 0.580 4.911 4.340 -0.015 0.000 0.256 177 Q C -0.518 175.462 176.000 -0.034 0.000 0.942 177 Q CA -0.249 55.523 55.803 -0.051 0.000 0.896 177 Q CB 1.541 30.239 28.738 -0.067 0.000 1.272 177 Q HN 0.178 nan 8.270 nan 0.000 0.442 178 T N 1.660 116.206 114.554 -0.014 0.000 2.806 178 T HA 0.401 4.743 4.350 -0.015 0.000 0.290 178 T C -0.540 174.181 174.700 0.035 0.000 0.966 178 T CA -0.396 61.713 62.100 0.014 0.000 1.060 178 T CB 0.703 69.573 68.868 0.003 0.000 0.927 178 T HN 0.235 nan 8.240 nan 0.000 0.485 179 V N 4.036 124.004 119.914 0.090 0.000 2.569 179 V HA 0.356 4.468 4.120 -0.015 0.000 0.301 179 V C -0.599 175.626 176.094 0.218 0.000 1.044 179 V CA -0.918 61.447 62.300 0.108 0.000 0.874 179 V CB 2.041 33.879 31.823 0.025 0.000 1.002 179 V HN 0.789 nan 8.190 nan 0.000 0.424 180 E N 2.491 122.802 120.200 0.186 0.000 2.133 180 E HA 0.340 4.681 4.350 -0.015 0.000 0.274 180 E C -0.015 176.765 176.600 0.300 0.000 0.930 180 E CA -0.455 56.079 56.400 0.222 0.000 0.770 180 E CB 1.954 31.741 29.700 0.145 0.000 1.104 180 E HN 0.762 nan 8.360 nan 0.000 0.403 181 T N 0.886 115.669 114.554 0.380 0.000 2.992 181 T HA 0.308 4.650 4.350 -0.015 0.000 0.299 181 T C -0.257 174.755 174.700 0.519 0.000 1.027 181 T CA -0.726 61.614 62.100 0.399 0.000 1.001 181 T CB -0.110 69.017 68.868 0.432 0.000 1.005 181 T HN 0.460 nan 8.240 nan 0.000 0.599 182 W N 4.367 125.795 121.300 0.212 0.000 2.957 182 W HA 0.245 4.896 4.660 -0.015 0.000 0.327 182 W C -1.367 175.334 176.519 0.304 0.000 1.039 182 W CA -0.917 56.580 57.345 0.253 0.000 1.257 182 W CB 1.242 30.784 29.460 0.137 0.000 1.238 182 W HN 0.429 nan 8.180 nan 0.000 0.406 183 N N 4.966 123.737 118.700 0.118 0.000 2.412 183 N HA 0.094 4.826 4.740 -0.015 0.000 0.258 183 N C -0.208 175.391 175.510 0.148 0.000 1.236 183 N CA 0.721 53.819 53.050 0.081 0.000 0.882 183 N CB 0.678 39.132 38.487 -0.055 0.000 1.066 183 N HN 0.395 nan 8.380 nan 0.000 0.465 184 R N 0.167 120.761 120.500 0.157 0.000 2.855 184 R HA 0.275 4.606 4.340 -0.015 0.000 0.266 184 R C -1.047 175.310 176.300 0.095 0.000 1.034 184 R CA -0.817 55.390 56.100 0.178 0.000 0.944 184 R CB 1.242 31.664 30.300 0.203 0.000 1.219 184 R HN 0.344 nan 8.270 nan 0.000 0.474 185 D N 0.520 121.011 120.400 0.153 0.000 2.518 185 D HA 0.225 4.856 4.640 -0.015 0.000 0.230 185 D C 0.031 176.344 176.300 0.021 0.000 1.138 185 D CA -0.084 53.988 54.000 0.121 0.000 0.964 185 D CB 0.710 41.682 40.800 0.288 0.000 1.011 185 D HN 0.725 nan 8.370 nan 0.000 0.517 186 G N 1.496 110.169 108.800 -0.211 0.000 3.651 186 G HA2 0.489 4.441 3.960 -0.015 0.000 0.279 186 G HA3 0.489 4.441 3.960 -0.015 0.000 0.279 186 G C 0.853 175.677 174.900 -0.127 0.000 1.024 186 G CA 0.122 45.162 45.100 -0.099 0.000 0.813 186 G HN 0.785 nan 8.290 nan 0.000 0.518 187 G N 0.331 109.017 108.800 -0.191 0.000 2.645 187 G HA2 -0.113 3.838 3.960 -0.015 0.000 0.246 187 G HA3 -0.113 3.838 3.960 -0.015 0.000 0.246 187 G C 0.940 175.679 174.900 -0.269 0.000 1.322 187 G CA 0.868 45.959 45.100 -0.015 0.000 0.898 187 G HN 1.172 nan 8.290 nan 0.000 0.573 188 T N -3.800 110.577 114.554 -0.296 0.000 3.092 188 T HA 0.525 4.866 4.350 -0.015 0.000 0.258 188 T C 1.588 175.966 174.700 -0.536 0.000 1.031 188 T CA 1.221 62.707 62.100 -1.025 0.000 0.925 188 T CB 0.453 68.793 68.868 -0.880 0.000 1.036 188 T HN 0.791 nan 8.240 nan 0.000 0.544 189 S N 1.478 117.079 115.700 -0.165 0.000 2.539 189 S HA 0.261 4.723 4.470 -0.015 0.000 0.221 189 S C 0.920 175.524 174.600 0.008 0.000 0.987 189 S CA 0.032 58.206 58.200 -0.043 0.000 0.929 189 S CB 0.453 63.624 63.200 -0.048 0.000 0.832 189 S HN 0.893 nan 8.310 nan 0.000 0.492 190 T N -0.656 113.920 114.554 0.036 0.000 2.693 190 T HA 0.363 4.704 4.350 -0.015 0.000 0.278 190 T C 0.765 175.532 174.700 0.111 0.000 0.994 190 T CA -0.589 61.549 62.100 0.063 0.000 1.033 190 T CB 1.142 70.037 68.868 0.045 0.000 1.342 190 T HN -0.031 nan 8.240 nan 0.000 0.538 191 E N 0.241 120.491 120.200 0.084 0.000 2.347 191 E HA -0.061 4.280 4.350 -0.015 0.000 0.196 191 E C 0.261 176.919 176.600 0.096 0.000 1.008 191 E CA 0.501 56.950 56.400 0.082 0.000 0.852 191 E CB -0.224 29.510 29.700 0.056 0.000 0.783 191 E HN 0.742 nan 8.360 nan 0.000 0.505 192 Q N 0.476 120.333 119.800 0.096 0.000 2.417 192 Q HA 0.496 4.827 4.340 -0.015 0.000 0.241 192 Q C -0.512 175.542 176.000 0.090 0.000 1.008 192 Q CA 0.122 55.978 55.803 0.089 0.000 0.901 192 Q CB 1.199 29.974 28.738 0.062 0.000 1.259 192 Q HN 0.265 nan 8.270 nan 0.000 0.489 193 A N 0.802 123.658 122.820 0.060 0.000 2.449 193 A HA 0.435 4.746 4.320 -0.015 0.000 0.302 193 A C -0.998 176.604 177.584 0.031 0.000 1.048 193 A CA -0.695 51.371 52.037 0.049 0.000 0.708 193 A CB 0.534 19.539 19.000 0.008 0.000 1.274 193 A HN 0.786 nan 8.150 nan 0.000 0.410 194 Y N 0.714 121.078 120.300 0.107 0.000 2.457 194 Y HA 0.080 4.621 4.550 -0.015 0.000 0.292 194 Y C 0.756 176.642 175.900 -0.024 0.000 1.125 194 Y CA 1.227 59.339 58.100 0.021 0.000 1.254 194 Y CB 0.185 38.612 38.460 -0.055 0.000 1.012 194 Y HN 0.489 nan 8.280 nan 0.000 0.555 195 K N 1.412 121.873 120.400 0.102 0.000 2.626 195 K HA 0.233 4.545 4.320 -0.015 0.000 0.223 195 K C -1.132 175.443 176.600 -0.043 0.000 0.992 195 K CA -0.288 55.977 56.287 -0.037 0.000 1.024 195 K CB 0.708 33.071 32.500 -0.229 0.000 1.225 195 K HN 0.065 nan 8.250 nan 0.000 0.498 196 N N 3.715 122.445 118.700 0.050 0.000 2.399 196 N HA 0.462 5.193 4.740 -0.015 0.000 0.295 196 N C -0.785 174.805 175.510 0.134 0.000 1.048 196 N CA -0.464 52.642 53.050 0.094 0.000 0.886 196 N CB 1.806 40.401 38.487 0.180 0.000 1.185 196 N HN 0.291 nan 8.380 nan 0.000 0.487 197 I N 2.828 123.470 120.570 0.120 0.000 2.548 197 I HA 0.232 4.393 4.170 -0.015 0.000 0.287 197 I C -2.305 173.910 176.117 0.163 0.000 1.103 197 I CA -1.890 59.505 61.300 0.158 0.000 1.049 197 I CB 2.276 40.373 38.000 0.162 0.000 1.232 197 I HN 0.214 nan 8.210 nan 0.000 0.429 198 P HA 0.165 nan 4.420 nan 0.000 0.220 198 P C -0.639 176.846 177.300 0.308 0.000 1.778 198 P CA 0.094 63.422 63.100 0.379 0.000 0.912 198 P CB -0.533 31.523 31.700 0.593 0.000 1.861 199 F N 2.795 122.707 119.950 -0.063 0.000 2.507 199 F HA 0.544 5.062 4.527 -0.015 0.000 0.325 199 F C -1.156 174.517 175.800 -0.211 0.000 1.116 199 F CA -1.451 56.436 58.000 -0.189 0.000 0.930 199 F CB 1.448 40.196 39.000 -0.421 0.000 1.146 199 F HN -0.022 nan 8.300 nan 0.000 0.447 200 Y N 5.131 124.784 120.300 -1.079 0.000 2.602 200 Y HA 0.832 5.373 4.550 -0.015 0.000 0.342 200 Y C -1.145 173.996 175.900 -1.264 0.000 1.029 200 Y CA -1.741 55.739 58.100 -1.033 0.000 1.080 200 Y CB 1.560 39.654 38.460 -0.611 0.000 1.284 200 Y HN 0.753 nan 8.280 nan 0.000 0.485 201 M N 1.300 120.531 119.600 -0.616 0.000 2.631 201 M HA 0.803 5.274 4.480 -0.015 0.000 0.288 201 M C -1.108 175.094 176.300 -0.163 0.000 1.260 201 M CA -0.733 54.275 55.300 -0.487 0.000 0.842 201 M CB 2.487 34.857 32.600 -0.383 0.000 1.743 201 M HN 0.875 nan 8.290 nan 0.000 0.461 202 T N -2.277 112.086 114.554 -0.319 0.000 2.910 202 T HA 0.404 4.745 4.350 -0.015 0.000 0.287 202 T C 0.485 175.113 174.700 -0.119 0.000 1.050 202 T CA -0.587 61.416 62.100 -0.162 0.000 1.011 202 T CB 1.156 69.847 68.868 -0.295 0.000 1.195 202 T HN 0.844 nan 8.240 nan 0.000 0.540 203 N N 0.152 118.858 118.700 0.011 0.000 2.515 203 N HA -0.029 4.702 4.740 -0.015 0.000 0.191 203 N C 0.885 176.381 175.510 -0.024 0.000 1.182 203 N CA -0.091 52.948 53.050 -0.019 0.000 0.879 203 N CB -0.265 38.245 38.487 0.039 0.000 0.984 203 N HN 0.429 nan 8.380 nan 0.000 0.453 204 R N 0.062 120.539 120.500 -0.039 0.000 2.334 204 R HA 0.191 4.523 4.340 -0.015 0.000 0.220 204 R C 0.624 176.971 176.300 0.078 0.000 0.917 204 R CA 0.440 56.573 56.100 0.056 0.000 1.073 204 R CB -0.629 29.787 30.300 0.193 0.000 1.056 204 R HN 0.415 nan 8.270 nan 0.000 0.506 205 G N 1.701 110.480 108.800 -0.035 0.000 2.248 205 G HA2 -0.298 3.653 3.960 -0.015 0.000 0.263 205 G HA3 -0.298 3.653 3.960 -0.015 0.000 0.263 205 G C -0.381 174.571 174.900 0.087 0.000 1.082 205 G CA 0.716 45.817 45.100 0.001 0.000 0.863 205 G HN 0.495 nan 8.290 nan 0.000 0.495 206 Y N -2.388 117.899 120.300 -0.023 0.000 2.615 206 Y HA 0.830 5.371 4.550 -0.014 0.000 0.341 206 Y C 0.299 176.138 175.900 -0.102 0.000 1.089 206 Y CA -1.306 56.770 58.100 -0.040 0.000 1.049 206 Y CB 0.891 39.327 38.460 -0.040 0.000 1.296 206 Y HN 0.701 nan 8.280 nan 0.000 0.470 207 G N 0.019 108.835 108.800 0.027 0.000 2.658 207 G HA2 0.614 4.565 3.960 -0.015 0.000 0.292 207 G HA3 0.614 4.565 3.960 -0.015 0.000 0.292 207 G C -1.977 172.840 174.900 -0.138 0.000 1.320 207 G CA -0.842 44.125 45.100 -0.222 0.000 0.933 207 G HN 1.465 nan 8.290 nan 0.000 0.476 208 V N 0.559 120.146 119.914 -0.544 0.000 2.668 208 V HA 0.735 4.846 4.120 -0.015 0.000 0.304 208 V C -1.624 174.428 176.094 -0.071 0.000 1.071 208 V CA -0.931 61.202 62.300 -0.279 0.000 0.894 208 V CB 1.449 33.035 31.823 -0.395 0.000 1.008 208 V HN 0.894 nan 8.190 nan 0.000 0.425 209 L N 7.511 128.946 121.223 0.353 0.000 2.272 209 L HA 0.714 5.046 4.340 -0.015 0.000 0.289 209 L C -0.534 176.582 176.870 0.409 0.000 1.032 209 L CA 0.069 55.194 54.840 0.474 0.000 0.810 209 L CB 1.667 44.097 42.059 0.618 0.000 1.205 209 L HN 0.597 nan 8.230 nan 0.000 0.422 210 V N 5.092 125.194 119.914 0.312 0.000 2.385 210 V HA 0.241 4.352 4.120 -0.015 0.000 0.269 210 V C 0.421 176.779 176.094 0.440 0.000 1.043 210 V CA -0.514 61.950 62.300 0.274 0.000 0.906 210 V CB 0.824 32.664 31.823 0.028 0.000 0.995 210 V HN 0.810 nan 8.190 nan 0.000 0.467 211 N N 4.502 123.409 118.700 0.345 0.000 3.245 211 N HA 0.085 4.816 4.740 -0.015 0.000 0.296 211 N C -0.466 174.942 175.510 -0.170 0.000 1.254 211 N CA 0.021 53.249 53.050 0.296 0.000 1.190 211 N CB -0.386 38.320 38.487 0.365 0.000 1.460 211 N HN 0.709 nan 8.380 nan 0.000 0.538 212 H N 0.745 119.957 119.070 0.237 0.000 3.181 212 H HA 0.222 4.770 4.556 -0.015 0.000 0.331 212 H C -2.019 173.266 175.328 -0.070 0.000 0.988 212 H CA -1.231 54.836 56.048 0.032 0.000 1.449 212 H CB 2.118 31.926 29.762 0.076 0.000 1.749 212 H HN 0.254 nan 8.280 nan 0.000 0.501 213 P HA -0.135 nan 4.420 nan 0.000 0.223 213 P C 1.031 178.430 177.300 0.165 0.000 1.151 213 P CA 0.871 63.827 63.100 -0.239 0.000 0.787 213 P CB 0.529 31.980 31.700 -0.416 0.000 0.788 214 Q N -0.243 119.679 119.800 0.203 0.000 2.527 214 Q HA 0.020 4.351 4.340 -0.015 0.000 0.189 214 Q C 0.131 176.376 176.000 0.409 0.000 1.116 214 Q CA -0.364 55.643 55.803 0.340 0.000 1.169 214 Q CB -0.672 28.212 28.738 0.244 0.000 1.211 214 Q HN -0.027 nan 8.270 nan 0.000 0.649 215 C N 1.222 120.781 119.300 0.432 0.000 2.633 215 C HA 0.313 4.764 4.460 -0.015 0.000 0.415 215 C C -0.022 175.079 174.990 0.185 0.000 1.393 215 C CA -0.302 58.910 59.018 0.324 0.000 1.700 215 C CB -1.182 26.542 27.740 -0.026 0.000 2.541 215 C HN 0.438 nan 8.230 nan 0.000 0.603 216 V N 6.906 126.951 119.914 0.220 0.000 2.459 216 V HA 0.429 4.541 4.120 -0.015 0.000 0.295 216 V C 0.247 176.376 176.094 0.058 0.000 1.029 216 V CA -0.119 62.227 62.300 0.076 0.000 0.874 216 V CB 1.844 33.710 31.823 0.071 0.000 0.985 216 V HN 0.910 nan 8.190 nan 0.000 0.438 217 S N 5.282 120.945 115.700 -0.062 0.000 2.423 217 S HA 0.633 5.095 4.470 -0.015 0.000 0.317 217 S C -0.863 173.697 174.600 -0.067 0.000 1.065 217 S CA -0.429 57.765 58.200 -0.009 0.000 1.111 217 S CB -0.180 62.981 63.200 -0.065 0.000 0.968 217 S HN 0.382 nan 8.310 nan 0.000 0.474 218 F N 3.029 123.023 119.950 0.073 0.000 2.408 218 F HA 0.427 4.946 4.527 -0.015 0.000 0.344 218 F C 0.919 176.718 175.800 -0.002 0.000 1.112 218 F CA -0.602 57.440 58.000 0.070 0.000 1.096 218 F CB 1.186 40.203 39.000 0.027 0.000 1.129 218 F HN 0.406 nan 8.300 nan 0.000 0.486 219 E N 3.416 123.699 120.200 0.138 0.000 2.121 219 E HA 0.234 4.576 4.350 -0.015 0.000 0.255 219 E C -0.943 175.672 176.600 0.026 0.000 0.906 219 E CA -0.362 56.064 56.400 0.044 0.000 0.745 219 E CB 1.766 31.455 29.700 -0.019 0.000 1.155 219 E HN 0.248 nan 8.360 nan 0.000 0.424 220 V N 1.957 121.865 119.914 -0.011 0.000 2.299 220 V HA 0.232 4.343 4.120 -0.015 0.000 0.255 220 V C 1.371 177.411 176.094 -0.091 0.000 1.100 220 V CA 0.286 62.531 62.300 -0.092 0.000 0.938 220 V CB 0.210 31.922 31.823 -0.185 0.000 1.139 220 V HN 0.937 nan 8.190 nan 0.000 0.490 221 G N 4.484 113.241 108.800 -0.071 0.000 2.187 221 G HA2 -0.312 3.640 3.960 -0.015 0.000 0.261 221 G HA3 -0.312 3.640 3.960 -0.015 0.000 0.261 221 G C 0.855 175.723 174.900 -0.054 0.000 1.000 221 G CA 0.794 45.858 45.100 -0.061 0.000 0.718 221 G HN 0.979 nan 8.290 nan 0.000 0.519 222 S N -1.800 113.870 115.700 -0.050 0.000 2.505 222 S HA 0.362 4.824 4.470 -0.015 0.000 0.216 222 S C 1.405 175.974 174.600 -0.052 0.000 1.018 222 S CA 0.906 59.078 58.200 -0.047 0.000 0.911 222 S CB 0.652 63.827 63.200 -0.040 0.000 0.818 222 S HN 0.642 nan 8.310 nan 0.000 0.497 223 E N 1.031 121.196 120.200 -0.058 0.000 2.419 223 E HA 0.182 4.523 4.350 -0.015 0.000 0.197 223 E C -0.474 176.082 176.600 -0.075 0.000 0.920 223 E CA 0.024 56.381 56.400 -0.072 0.000 1.085 223 E CB 0.497 30.143 29.700 -0.090 0.000 1.084 223 E HN 0.031 nan 8.360 nan 0.000 0.490 224 K N 2.496 122.855 120.400 -0.069 0.000 2.281 224 K HA 0.126 4.437 4.320 -0.015 0.000 0.272 224 K C 1.054 177.622 176.600 -0.053 0.000 1.048 224 K CA 0.012 56.260 56.287 -0.067 0.000 0.898 224 K CB 1.706 34.170 32.500 -0.060 0.000 1.128 224 K HN 0.219 nan 8.250 nan 0.000 0.460 225 V N 0.683 120.565 119.914 -0.053 0.000 2.568 225 V HA -0.191 3.920 4.120 -0.015 0.000 0.253 225 V C 1.079 177.152 176.094 -0.036 0.000 1.072 225 V CA 2.114 64.387 62.300 -0.044 0.000 1.084 225 V CB -0.552 31.247 31.823 -0.040 0.000 0.676 225 V HN 0.632 nan 8.190 nan 0.000 0.469 226 S N -1.121 114.561 115.700 -0.030 0.000 2.562 226 S HA 0.555 5.016 4.470 -0.015 0.000 0.246 226 S C -0.094 174.505 174.600 -0.002 0.000 1.056 226 S CA -0.708 57.483 58.200 -0.015 0.000 1.042 226 S CB -0.228 62.965 63.200 -0.010 0.000 0.822 226 S HN 0.746 nan 8.310 nan 0.000 0.465 227 K N 0.220 120.614 120.400 -0.010 0.000 2.551 227 K HA 0.549 4.860 4.320 -0.015 0.000 0.269 227 K C -1.619 174.976 176.600 -0.009 0.000 0.949 227 K CA -0.787 55.504 56.287 0.006 0.000 0.849 227 K CB 2.394 34.895 32.500 0.001 0.000 1.411 227 K HN 0.039 nan 8.250 nan 0.000 0.432 228 V N 2.375 122.299 119.914 0.017 0.000 2.348 228 V HA 0.229 4.340 4.120 -0.015 0.000 0.270 228 V C -0.226 175.913 176.094 0.076 0.000 1.037 228 V CA -0.524 61.786 62.300 0.016 0.000 0.872 228 V CB 0.987 32.765 31.823 -0.075 0.000 1.002 228 V HN 0.638 nan 8.190 nan 0.000 0.464 229 Q N 4.911 124.739 119.800 0.047 0.000 2.241 229 Q HA 0.663 4.995 4.340 -0.015 0.000 0.254 229 Q C -1.417 174.604 176.000 0.035 0.000 0.917 229 Q CA -0.537 55.242 55.803 -0.039 0.000 0.919 229 Q CB 1.407 30.123 28.738 -0.037 0.000 1.237 229 Q HN 0.730 nan 8.270 nan 0.000 0.434 230 F N 0.287 120.185 119.950 -0.085 0.000 2.591 230 F HA 0.748 5.267 4.527 -0.014 0.000 0.309 230 F C -0.912 174.792 175.800 -0.160 0.000 1.098 230 F CA -0.907 56.906 58.000 -0.312 0.000 0.937 230 F CB 1.557 40.143 39.000 -0.689 0.000 1.250 230 F HN 0.457 nan 8.300 nan 0.000 0.447 231 S N 1.543 117.234 115.700 -0.016 0.000 2.618 231 S HA 0.908 5.370 4.470 -0.015 0.000 0.277 231 S C -1.746 172.855 174.600 0.001 0.000 1.138 231 S CA -0.824 57.392 58.200 0.027 0.000 0.844 231 S CB 1.827 65.012 63.200 -0.026 0.000 1.127 231 S HN 1.607 nan 8.310 nan 0.000 0.474 232 V N 0.227 120.169 119.914 0.046 0.000 3.077 232 V HA 0.527 4.638 4.120 -0.015 0.000 0.299 232 V C -1.396 174.740 176.094 0.070 0.000 1.276 232 V CA -0.621 61.671 62.300 -0.013 0.000 0.993 232 V CB 1.992 33.633 31.823 -0.303 0.000 1.076 232 V HN 1.144 nan 8.190 nan 0.000 0.434 233 E N 3.498 123.720 120.200 0.037 0.000 2.003 233 E HA 0.578 4.920 4.350 -0.015 0.000 0.279 233 E C -0.605 175.891 176.600 -0.175 0.000 1.132 233 E CA 0.300 56.569 56.400 -0.219 0.000 0.888 233 E CB 0.511 30.062 29.700 -0.248 0.000 1.056 233 E HN 0.772 nan 8.360 nan 0.000 0.399 234 S N 3.054 118.664 115.700 -0.150 0.000 2.597 234 S HA 0.088 4.550 4.470 -0.015 0.000 0.274 234 S C -0.123 174.515 174.600 0.064 0.000 1.132 234 S CA -0.705 57.446 58.200 -0.083 0.000 0.835 234 S CB 1.235 64.254 63.200 -0.301 0.000 1.092 234 S HN 0.533 nan 8.310 nan 0.000 0.457 235 E N 0.843 121.156 120.200 0.188 0.000 2.481 235 E HA 0.143 4.484 4.350 -0.015 0.000 0.195 235 E C -0.252 176.556 176.600 0.347 0.000 1.047 235 E CA 0.642 57.217 56.400 0.291 0.000 0.867 235 E CB 0.000 29.879 29.700 0.297 0.000 0.858 235 E HN 0.607 nan 8.360 nan 0.000 0.513 236 Y N -1.921 118.490 120.300 0.184 0.000 2.597 236 Y HA 0.604 5.145 4.550 -0.014 0.000 0.340 236 Y C -1.340 174.701 175.900 0.236 0.000 1.097 236 Y CA -1.761 56.454 58.100 0.191 0.000 1.037 236 Y CB 0.977 39.529 38.460 0.155 0.000 1.305 236 Y HN -0.208 nan 8.280 nan 0.000 0.463 237 L N 2.590 123.949 121.223 0.227 0.000 2.385 237 L HA 0.631 4.962 4.340 -0.015 0.000 0.273 237 L C -1.197 175.953 176.870 0.467 0.000 0.990 237 L CA -0.650 54.358 54.840 0.280 0.000 0.821 237 L CB 1.959 44.170 42.059 0.253 0.000 1.279 237 L HN 0.914 nan 8.230 nan 0.000 0.412 238 E N 4.064 124.623 120.200 0.598 0.000 2.246 238 E HA 0.558 4.899 4.350 -0.015 0.000 0.266 238 E C -1.999 174.703 176.600 0.169 0.000 0.880 238 E CA -0.598 55.937 56.400 0.226 0.000 0.762 238 E CB 1.446 31.259 29.700 0.188 0.000 1.180 238 E HN 0.575 nan 8.360 nan 0.000 0.416 239 Y N 1.358 121.598 120.300 -0.100 0.000 2.615 239 Y HA 0.707 5.249 4.550 -0.015 0.000 0.341 239 Y C -1.734 173.936 175.900 -0.384 0.000 1.089 239 Y CA -1.486 56.549 58.100 -0.108 0.000 1.049 239 Y CB 1.093 39.631 38.460 0.131 0.000 1.296 239 Y HN 0.263 nan 8.280 nan 0.000 0.470 240 F N 1.420 121.533 119.950 0.272 0.000 2.477 240 F HA 0.597 5.115 4.527 -0.015 0.000 0.335 240 F C -0.603 175.258 175.800 0.102 0.000 1.130 240 F CA -1.224 56.836 58.000 0.101 0.000 0.948 240 F CB 2.041 41.132 39.000 0.152 0.000 1.154 240 F HN 0.350 nan 8.300 nan 0.000 0.439 241 V N 5.217 125.208 119.914 0.129 0.000 2.498 241 V HA 0.336 4.447 4.120 -0.015 0.000 0.279 241 V C 0.139 176.269 176.094 0.061 0.000 1.048 241 V CA -0.461 61.827 62.300 -0.020 0.000 0.967 241 V CB 1.228 32.797 31.823 -0.424 0.000 0.988 241 V HN 0.526 nan 8.190 nan 0.000 0.473 242 I N 3.771 124.406 120.570 0.109 0.000 2.382 242 I HA 0.334 4.495 4.170 -0.015 0.000 0.286 242 I C -0.185 176.003 176.117 0.118 0.000 1.002 242 I CA -0.515 60.851 61.300 0.111 0.000 1.135 242 I CB 1.666 39.779 38.000 0.187 0.000 1.288 242 I HN 0.523 nan 8.210 nan 0.000 0.448 243 D N 4.205 124.648 120.400 0.072 0.000 2.357 243 D HA 0.320 4.951 4.640 -0.015 0.000 0.242 243 D C 0.613 176.952 176.300 0.065 0.000 1.153 243 D CA 0.311 54.356 54.000 0.076 0.000 0.918 243 D CB 1.639 42.462 40.800 0.037 0.000 1.181 243 D HN 0.614 nan 8.370 nan 0.000 0.435 244 G N 0.872 109.712 108.800 0.067 0.000 2.766 244 G HA2 0.140 4.091 3.960 -0.015 0.000 0.206 244 G HA3 0.140 4.091 3.960 -0.015 0.000 0.206 244 G C -1.602 173.307 174.900 0.015 0.000 2.072 244 G CA -0.185 44.936 45.100 0.035 0.000 0.798 244 G HN 0.586 nan 8.290 nan 0.000 0.703 245 P HA 0.177 nan 4.420 nan 0.000 0.257 245 P C 0.096 177.402 177.300 0.009 0.000 1.325 245 P CA 0.532 63.648 63.100 0.026 0.000 0.850 245 P CB 0.077 31.790 31.700 0.023 0.000 1.324 246 T N -4.378 110.169 114.554 -0.011 0.000 2.940 246 T HA 0.443 4.784 4.350 -0.015 0.000 0.288 246 T C -2.148 172.524 174.700 -0.046 0.000 1.033 246 T CA -2.328 59.752 62.100 -0.034 0.000 1.033 246 T CB 1.801 70.642 68.868 -0.046 0.000 1.079 246 T HN -0.356 nan 8.240 nan 0.000 0.496 247 P HA -0.079 nan 4.420 nan 0.000 0.216 247 P C 1.368 178.628 177.300 -0.067 0.000 1.150 247 P CA 1.222 64.267 63.100 -0.092 0.000 0.843 247 P CB 0.102 31.712 31.700 -0.151 0.000 0.787 248 K N -0.781 119.575 120.400 -0.073 0.000 2.097 248 K HA -0.041 4.271 4.320 -0.015 0.000 0.205 248 K C 2.102 178.672 176.600 -0.050 0.000 1.050 248 K CA 1.399 57.645 56.287 -0.068 0.000 0.938 248 K CB -0.525 31.927 32.500 -0.080 0.000 0.718 248 K HN 0.052 nan 8.250 nan 0.000 0.442 249 A N 0.965 123.761 122.820 -0.040 0.000 1.930 249 A HA -0.088 4.224 4.320 -0.015 0.000 0.217 249 A C 2.315 179.894 177.584 -0.007 0.000 1.175 249 A CA 1.076 53.096 52.037 -0.028 0.000 0.627 249 A CB -0.485 18.501 19.000 -0.024 0.000 0.815 249 A HN 0.048 nan 8.150 nan 0.000 0.443 250 V N 0.116 120.036 119.914 0.011 0.000 2.287 250 V HA -0.269 3.842 4.120 -0.015 0.000 0.248 250 V C 2.542 178.677 176.094 0.069 0.000 1.053 250 V CA 2.036 64.372 62.300 0.059 0.000 1.027 250 V CB -0.738 31.133 31.823 0.081 0.000 0.646 250 V HN 0.575 nan 8.190 nan 0.000 0.447 251 L N -0.148 121.094 121.223 0.032 0.000 2.141 251 L HA -0.157 4.174 4.340 -0.015 0.000 0.209 251 L C 2.418 179.275 176.870 -0.023 0.000 1.094 251 L CA 1.573 56.417 54.840 0.006 0.000 0.763 251 L CB -0.594 41.449 42.059 -0.028 0.000 0.908 251 L HN 0.394 nan 8.230 nan 0.000 0.437 252 D N 0.500 120.877 120.400 -0.038 0.000 2.092 252 D HA -0.201 4.430 4.640 -0.015 0.000 0.193 252 D C 2.305 178.569 176.300 -0.059 0.000 0.994 252 D CA 1.500 55.465 54.000 -0.059 0.000 0.828 252 D CB 0.078 40.845 40.800 -0.055 0.000 0.963 252 D HN 0.099 nan 8.370 nan 0.000 0.450 253 R N -1.152 119.328 120.500 -0.034 0.000 2.081 253 R HA -0.185 4.146 4.340 -0.015 0.000 0.235 253 R C 2.433 178.714 176.300 -0.032 0.000 1.131 253 R CA 1.309 57.385 56.100 -0.041 0.000 0.960 253 R CB -0.571 29.711 30.300 -0.029 0.000 0.856 253 R HN 0.354 nan 8.270 nan 0.000 0.436 254 Y N 1.682 121.891 120.300 -0.152 0.000 2.145 254 Y HA -0.240 4.301 4.550 -0.015 0.000 0.286 254 Y C 2.577 178.316 175.900 -0.267 0.000 1.145 254 Y CA 2.077 60.025 58.100 -0.253 0.000 1.148 254 Y CB -0.500 37.614 38.460 -0.577 0.000 0.981 254 Y HN 0.112 nan 8.280 nan 0.000 0.507 255 T N -1.502 112.851 114.554 -0.335 0.000 2.951 255 T HA -0.122 4.219 4.350 -0.015 0.000 0.268 255 T C 2.042 176.544 174.700 -0.329 0.000 1.073 255 T CA 1.156 63.004 62.100 -0.420 0.000 1.134 255 T CB -0.446 68.256 68.868 -0.278 0.000 0.884 255 T HN 0.391 nan 8.240 nan 0.000 0.479 256 R N -0.534 119.841 120.500 -0.208 0.000 2.081 256 R HA -0.041 4.290 4.340 -0.015 0.000 0.235 256 R C 2.178 178.403 176.300 -0.124 0.000 1.131 256 R CA 1.303 57.316 56.100 -0.145 0.000 0.960 256 R CB -0.475 29.768 30.300 -0.095 0.000 0.856 256 R HN 0.410 nan 8.270 nan 0.000 0.436 257 F N 1.129 120.866 119.950 -0.356 0.000 2.146 257 F HA -0.105 4.413 4.527 -0.014 0.000 0.298 257 F C 2.178 177.701 175.800 -0.462 0.000 1.096 257 F CA 2.010 59.778 58.000 -0.388 0.000 1.275 257 F CB -0.534 38.215 39.000 -0.417 0.000 1.008 257 F HN 0.142 nan 8.300 nan 0.000 0.480 258 T N -2.456 111.669 114.554 -0.716 0.000 3.001 258 T HA 0.527 4.868 4.350 -0.015 0.000 0.251 258 T C 0.747 175.078 174.700 -0.615 0.000 1.040 258 T CA 0.338 61.937 62.100 -0.835 0.000 0.985 258 T CB -0.041 68.139 68.868 -1.147 0.000 1.011 258 T HN 0.613 nan 8.240 nan 0.000 0.509 259 G N 1.282 109.771 108.800 -0.519 0.000 2.521 259 G HA2 0.211 4.162 3.960 -0.015 0.000 0.589 259 G HA3 0.211 4.162 3.960 -0.015 0.000 0.589 259 G C -1.354 173.295 174.900 -0.418 0.000 1.501 259 G CA -1.294 43.547 45.100 -0.432 0.000 0.887 259 G HN 0.310 nan 8.290 nan 0.000 0.654 260 R N 1.615 121.923 120.500 -0.319 0.000 2.390 260 R HA 0.407 4.739 4.340 -0.015 0.000 0.291 260 R C -2.416 173.718 176.300 -0.277 0.000 1.070 260 R CA -1.793 54.151 56.100 -0.259 0.000 1.014 260 R CB 0.767 30.967 30.300 -0.167 0.000 1.007 260 R HN 0.303 nan 8.270 nan 0.000 0.466 261 P HA -0.063 nan 4.420 nan 0.000 0.262 261 P C -0.381 176.907 177.300 -0.020 0.000 1.182 261 P CA 0.416 63.443 63.100 -0.122 0.000 0.761 261 P CB 0.477 32.169 31.700 -0.013 0.000 0.795 262 A N 3.753 126.533 122.820 -0.067 0.000 2.386 262 A HA 0.274 4.585 4.320 -0.015 0.000 0.246 262 A C -0.190 177.464 177.584 0.117 0.000 1.089 262 A CA -0.138 51.923 52.037 0.040 0.000 0.790 262 A CB -0.206 18.860 19.000 0.110 0.000 1.042 262 A HN 0.579 nan 8.150 nan 0.000 0.497 263 L N 2.149 123.434 121.223 0.104 0.000 2.255 263 L HA 0.515 4.846 4.340 -0.015 0.000 0.289 263 L C -2.308 174.570 176.870 0.013 0.000 1.046 263 L CA -1.800 53.058 54.840 0.031 0.000 0.816 263 L CB 0.779 42.861 42.059 0.037 0.000 1.197 263 L HN 0.352 nan 8.230 nan 0.000 0.427 264 P HA 0.276 nan 4.420 nan 0.000 0.272 264 P C -2.642 174.726 177.300 0.113 0.000 1.223 264 P CA -1.195 61.851 63.100 -0.090 0.000 0.784 264 P CB -0.231 31.269 31.700 -0.333 0.000 0.923 265 P HA -0.064 nan 4.420 nan 0.000 0.268 265 P C 0.285 177.560 177.300 -0.041 0.000 1.208 265 P CA 0.199 63.191 63.100 -0.179 0.000 0.777 265 P CB 0.508 31.787 31.700 -0.702 0.000 0.875 266 A N 3.517 126.336 122.820 -0.001 0.000 1.969 266 A HA -0.129 4.182 4.320 -0.015 0.000 0.218 266 A C 2.052 179.783 177.584 0.246 0.000 1.169 266 A CA 1.015 53.084 52.037 0.053 0.000 0.635 266 A CB -1.515 17.373 19.000 -0.187 0.000 0.810 266 A HN 0.830 nan 8.150 nan 0.000 0.445 267 W N 0.859 122.265 121.300 0.175 0.000 2.364 267 W HA -0.176 4.476 4.660 -0.015 0.000 0.281 267 W C 1.745 178.373 176.519 0.182 0.000 1.219 267 W CA 1.322 58.738 57.345 0.118 0.000 1.220 267 W CB -1.350 28.134 29.460 0.040 0.000 1.127 267 W HN 0.508 nan 8.180 nan 0.000 0.556 268 S N 0.233 115.917 115.700 -0.027 0.000 2.507 268 S HA -0.146 4.316 4.470 -0.015 0.000 0.235 268 S C 1.379 176.169 174.600 0.318 0.000 0.988 268 S CA 0.589 58.877 58.200 0.148 0.000 0.944 268 S CB -1.325 61.759 63.200 -0.193 0.000 0.762 268 S HN 0.193 nan 8.310 nan 0.000 0.526 269 F N 2.470 122.482 119.950 0.103 0.000 2.811 269 F HA 0.345 4.864 4.527 -0.014 0.000 0.301 269 F C 1.975 177.816 175.800 0.068 0.000 1.151 269 F CA -0.114 57.853 58.000 -0.054 0.000 1.412 269 F CB -0.466 38.500 39.000 -0.056 0.000 1.113 269 F HN 0.339 nan 8.300 nan 0.000 0.579 270 G N 0.054 109.018 108.800 0.274 0.000 2.489 270 G HA2 0.276 4.227 3.960 -0.015 0.000 0.271 270 G HA3 0.276 4.227 3.960 -0.015 0.000 0.271 270 G C -1.020 174.156 174.900 0.459 0.000 1.427 270 G CA -0.527 44.675 45.100 0.171 0.000 1.057 270 G HN -0.007 nan 8.290 nan 0.000 0.532 271 L N -0.366 121.244 121.223 0.645 0.000 2.276 271 L HA 0.539 4.870 4.340 -0.015 0.000 0.286 271 L C -1.222 175.860 176.870 0.353 0.000 1.061 271 L CA -0.929 54.172 54.840 0.435 0.000 0.807 271 L CB 0.630 42.863 42.059 0.290 0.000 1.177 271 L HN 0.406 nan 8.230 nan 0.000 0.429 272 W N 6.410 127.737 121.300 0.045 0.000 2.390 272 W HA 0.542 5.193 4.660 -0.015 0.000 0.312 272 W C -0.524 175.911 176.519 -0.139 0.000 1.123 272 W CA -0.515 56.789 57.345 -0.069 0.000 1.202 272 W CB 1.019 30.350 29.460 -0.214 0.000 1.251 272 W HN 0.268 nan 8.180 nan 0.000 0.511 273 L N 4.217 125.451 121.223 0.018 0.000 2.362 273 L HA 0.628 4.959 4.340 -0.015 0.000 0.271 273 L C 0.120 176.736 176.870 -0.424 0.000 1.002 273 L CA -0.344 54.439 54.840 -0.095 0.000 0.818 273 L CB 1.935 44.022 42.059 0.048 0.000 1.298 273 L HN 0.610 nan 8.230 nan 0.000 0.420 274 T N -0.965 113.390 114.554 -0.331 0.000 2.938 274 T HA 0.287 4.629 4.350 -0.015 0.000 0.285 274 T C 1.122 175.658 174.700 -0.274 0.000 1.028 274 T CA 0.210 62.039 62.100 -0.451 0.000 1.005 274 T CB 1.436 70.304 68.868 0.001 0.000 1.157 274 T HN 0.711 nan 8.240 nan 0.000 0.550 275 T N -0.985 113.394 114.554 -0.292 0.000 3.098 275 T HA 0.211 4.552 4.350 -0.015 0.000 0.266 275 T C 0.938 175.675 174.700 0.063 0.000 1.145 275 T CA 0.403 62.436 62.100 -0.112 0.000 1.092 275 T CB -0.941 67.394 68.868 -0.888 0.000 0.908 275 T HN 1.000 nan 8.240 nan 0.000 0.526 276 S N -0.071 115.711 115.700 0.138 0.000 3.654 276 S HA -0.169 4.292 4.470 -0.015 0.000 0.640 276 S C 0.044 174.844 174.600 0.333 0.000 2.223 276 S CA 0.257 58.545 58.200 0.146 0.000 2.391 276 S CB -1.313 61.898 63.200 0.018 0.000 0.328 276 S HN 0.520 nan 8.310 nan 0.000 1.790 277 F N 1.815 121.881 119.950 0.194 0.000 2.204 277 F HA 0.188 4.709 4.527 -0.010 0.000 0.276 277 F C 2.435 178.552 175.800 0.528 0.000 1.085 277 F CA 1.970 60.219 58.000 0.415 0.000 1.160 277 F CB -1.089 38.191 39.000 0.468 0.000 1.091 277 F HN 0.698 nan 8.300 nan 0.000 0.522 278 T N -1.023 113.476 114.554 -0.091 0.000 3.145 278 T HA 0.203 4.544 4.350 -0.015 0.000 0.255 278 T C 0.708 175.271 174.700 -0.228 0.000 1.039 278 T CA 0.279 62.197 62.100 -0.302 0.000 0.928 278 T CB -1.548 67.043 68.868 -0.462 0.000 1.029 278 T HN 0.392 nan 8.240 nan 0.000 0.554 279 T N 0.804 115.339 114.554 -0.032 0.000 2.701 279 T HA 0.251 4.592 4.350 -0.015 0.000 0.303 279 T C 0.078 174.808 174.700 0.050 0.000 1.030 279 T CA -0.716 61.351 62.100 -0.056 0.000 1.010 279 T CB 0.049 68.841 68.868 -0.126 0.000 1.007 279 T HN 0.319 nan 8.240 nan 0.000 0.532 280 N N 1.011 119.757 118.700 0.076 0.000 2.529 280 N HA 0.508 5.240 4.740 -0.015 0.000 0.278 280 N C -1.231 174.484 175.510 0.343 0.000 1.146 280 N CA -0.504 52.561 53.050 0.024 0.000 0.980 280 N CB 0.420 38.911 38.487 0.006 0.000 1.124 280 N HN 0.750 nan 8.380 nan 0.000 0.458 281 Y N -1.228 119.143 120.300 0.119 0.000 2.558 281 Y HA 0.567 5.110 4.550 -0.011 0.000 0.333 281 Y C -1.359 174.570 175.900 0.049 0.000 1.125 281 Y CA -1.442 56.757 58.100 0.165 0.000 1.039 281 Y CB 1.124 39.803 38.460 0.366 0.000 1.331 281 Y HN 0.510 nan 8.280 nan 0.000 0.456 282 D N -0.650 119.808 120.400 0.096 0.000 2.921 282 D HA 0.198 4.829 4.640 -0.015 0.000 0.329 282 D C 0.461 176.810 176.300 0.080 0.000 1.293 282 D CA -0.649 53.177 54.000 -0.290 0.000 0.964 282 D CB 0.791 41.408 40.800 -0.306 0.000 1.435 282 D HN 0.633 nan 8.370 nan 0.000 0.548 283 E N -0.426 119.812 120.200 0.063 0.000 2.077 283 E HA -0.177 4.165 4.350 -0.015 0.000 0.193 283 E C 1.972 178.593 176.600 0.035 0.000 0.989 283 E CA 1.505 58.017 56.400 0.187 0.000 0.800 283 E CB -0.310 29.474 29.700 0.141 0.000 0.746 283 E HN 0.466 nan 8.360 nan 0.000 0.452 284 A N 0.232 123.034 122.820 -0.030 0.000 1.908 284 A HA -0.216 4.095 4.320 -0.015 0.000 0.218 284 A C 2.390 179.884 177.584 -0.149 0.000 1.181 284 A CA 2.206 54.197 52.037 -0.076 0.000 0.627 284 A CB -1.069 17.887 19.000 -0.074 0.000 0.818 284 A HN 0.348 nan 8.150 nan 0.000 0.445 285 T N -0.278 114.167 114.554 -0.182 0.000 2.708 285 T HA -0.126 4.216 4.350 -0.015 0.000 0.266 285 T C 1.909 176.233 174.700 -0.627 0.000 1.037 285 T CA 1.648 63.496 62.100 -0.419 0.000 1.146 285 T CB -0.534 68.168 68.868 -0.277 0.000 0.865 285 T HN 0.181 nan 8.240 nan 0.000 0.435 286 V N 2.633 122.360 119.914 -0.312 0.000 2.255 286 V HA -0.208 3.903 4.120 -0.015 0.000 0.247 286 V C 2.476 178.363 176.094 -0.345 0.000 1.051 286 V CA 1.665 63.733 62.300 -0.387 0.000 1.018 286 V CB -0.719 30.930 31.823 -0.290 0.000 0.641 286 V HN 0.426 nan 8.190 nan 0.000 0.445 287 N N 0.156 118.730 118.700 -0.211 0.000 2.104 287 N HA -0.175 4.556 4.740 -0.015 0.000 0.190 287 N C 2.142 177.597 175.510 -0.093 0.000 1.024 287 N CA 1.825 54.791 53.050 -0.139 0.000 0.853 287 N CB -0.629 37.803 38.487 -0.092 0.000 1.008 287 N HN 0.485 nan 8.380 nan 0.000 0.424 288 S N -0.296 115.327 115.700 -0.129 0.000 2.400 288 S HA -0.076 4.385 4.470 -0.015 0.000 0.232 288 S C 1.611 176.350 174.600 0.231 0.000 1.025 288 S CA 0.855 59.034 58.200 -0.035 0.000 0.993 288 S CB -0.187 62.915 63.200 -0.164 0.000 0.808 288 S HN 0.177 nan 8.310 nan 0.000 0.478 289 F N 1.163 121.135 119.950 0.037 0.000 2.179 289 F HA 0.302 4.821 4.527 -0.014 0.000 0.292 289 F C 2.123 178.010 175.800 0.146 0.000 1.089 289 F CA -0.302 57.789 58.000 0.152 0.000 1.295 289 F CB -1.154 37.881 39.000 0.059 0.000 1.041 289 F HN 0.190 nan 8.300 nan 0.000 0.487 290 I N 0.096 120.767 120.570 0.168 0.000 2.127 290 I HA -0.315 3.847 4.170 -0.015 0.000 0.241 290 I C 2.134 178.284 176.117 0.055 0.000 1.075 290 I CA 1.571 62.899 61.300 0.047 0.000 1.334 290 I CB -0.463 37.474 38.000 -0.105 0.000 1.040 290 I HN 0.001 nan 8.210 nan 0.000 0.405 291 D N 0.919 121.337 120.400 0.030 0.000 2.104 291 D HA -0.146 4.486 4.640 -0.015 0.000 0.194 291 D C 2.211 178.493 176.300 -0.030 0.000 0.994 291 D CA 1.690 55.684 54.000 -0.011 0.000 0.830 291 D CB -0.639 40.143 40.800 -0.030 0.000 0.959 291 D HN 0.414 nan 8.370 nan 0.000 0.452 292 G N 0.374 109.174 108.800 0.001 0.000 2.432 292 G HA2 -0.220 3.731 3.960 -0.015 0.000 0.219 292 G HA3 -0.220 3.731 3.960 -0.015 0.000 0.219 292 G C 1.567 176.319 174.900 -0.246 0.000 1.135 292 G CA 0.508 45.439 45.100 -0.281 0.000 0.767 292 G HN 0.114 nan 8.290 nan 0.000 0.550 293 M N 1.118 120.796 119.600 0.131 0.000 2.077 293 M HA 0.060 4.531 4.480 -0.015 0.000 0.261 293 M C 3.110 179.429 176.300 0.032 0.000 1.070 293 M CA 1.393 56.794 55.300 0.170 0.000 1.125 293 M CB -1.356 31.363 32.600 0.199 0.000 1.339 293 M HN 0.305 nan 8.290 nan 0.000 0.409 294 A N 0.415 123.235 122.820 0.000 0.000 1.884 294 A HA -0.223 4.088 4.320 -0.015 0.000 0.219 294 A C 2.014 179.568 177.584 -0.050 0.000 1.197 294 A CA 2.190 54.209 52.037 -0.029 0.000 0.637 294 A CB -0.992 17.986 19.000 -0.036 0.000 0.827 294 A HN 0.617 nan 8.150 nan 0.000 0.450 295 E N -1.031 119.118 120.200 -0.085 0.000 2.265 295 E HA -0.122 4.219 4.350 -0.015 0.000 0.196 295 E C 1.824 178.362 176.600 -0.103 0.000 0.996 295 E CA 0.801 57.138 56.400 -0.104 0.000 0.832 295 E CB -0.075 29.537 29.700 -0.147 0.000 0.756 295 E HN 0.520 nan 8.360 nan 0.000 0.491 296 R N 0.547 120.986 120.500 -0.102 0.000 2.359 296 R HA 0.121 4.452 4.340 -0.015 0.000 0.231 296 R C -0.271 176.026 176.300 -0.005 0.000 0.913 296 R CA -0.083 55.979 56.100 -0.062 0.000 1.075 296 R CB 0.278 30.538 30.300 -0.066 0.000 1.087 296 R HN 0.073 nan 8.270 nan 0.000 0.515 297 N N 1.156 119.850 118.700 -0.010 0.000 2.725 297 N HA -0.190 4.542 4.740 -0.015 0.000 0.251 297 N C -1.163 174.364 175.510 0.029 0.000 1.031 297 N CA 0.933 53.985 53.050 0.004 0.000 0.720 297 N CB -1.090 37.399 38.487 0.002 0.000 0.930 297 N HN 0.281 nan 8.380 nan 0.000 0.543 298 L N 0.286 121.534 121.223 0.042 0.000 2.295 298 L HA 0.434 4.765 4.340 -0.015 0.000 0.281 298 L C -2.083 174.802 176.870 0.026 0.000 1.018 298 L CA -1.676 53.206 54.840 0.070 0.000 0.841 298 L CB 1.403 43.542 42.059 0.134 0.000 1.218 298 L HN -0.265 nan 8.230 nan 0.000 0.424 299 P HA 0.084 nan 4.420 nan 0.000 0.265 299 P C -0.960 176.192 177.300 -0.246 0.000 1.193 299 P CA 0.058 63.099 63.100 -0.099 0.000 0.765 299 P CB 0.759 32.485 31.700 0.044 0.000 0.823 300 L N 4.138 125.070 121.223 -0.484 0.000 2.464 300 L HA 0.322 4.653 4.340 -0.015 0.000 0.266 300 L C -0.328 176.186 176.870 -0.592 0.000 0.965 300 L CA -0.420 54.183 54.840 -0.396 0.000 0.833 300 L CB 1.871 43.872 42.059 -0.098 0.000 1.296 300 L HN 0.543 nan 8.230 nan 0.000 0.405 301 H N 2.867 121.953 119.070 0.027 0.000 3.205 301 H HA 0.379 4.926 4.556 -0.014 0.000 0.252 301 H C -0.444 174.793 175.328 -0.150 0.000 1.015 301 H CA -0.023 56.013 56.048 -0.020 0.000 1.192 301 H CB 1.389 31.191 29.762 0.067 0.000 1.474 301 H HN 0.231 nan 8.280 nan 0.000 0.484 302 V N 1.103 120.921 119.914 -0.161 0.000 2.733 302 V HA 0.235 4.347 4.120 -0.015 0.000 0.306 302 V C -1.534 174.438 176.094 -0.204 0.000 1.084 302 V CA -0.928 61.122 62.300 -0.418 0.000 0.905 302 V CB 2.479 33.560 31.823 -1.237 0.000 1.010 302 V HN 0.109 nan 8.190 nan 0.000 0.424 303 F N 3.616 123.412 119.950 -0.257 0.000 2.495 303 F HA 0.752 5.270 4.527 -0.016 0.000 0.327 303 F C -0.379 175.336 175.800 -0.142 0.000 1.103 303 F CA -0.394 57.499 58.000 -0.179 0.000 0.949 303 F CB 1.551 40.434 39.000 -0.195 0.000 1.142 303 F HN 0.726 nan 8.300 nan 0.000 0.457 304 H N 4.963 123.452 119.070 -0.969 0.000 2.529 304 H HA 0.458 5.006 4.556 -0.014 0.000 0.348 304 H C -1.776 173.190 175.328 -0.603 0.000 1.079 304 H CA -0.757 54.977 56.048 -0.523 0.000 1.198 304 H CB 0.957 30.500 29.762 -0.365 0.000 1.521 304 H HN 0.494 nan 8.280 nan 0.000 0.514 305 F N 3.951 123.425 119.950 -0.794 0.000 2.391 305 F HA 0.187 4.705 4.527 -0.016 0.000 0.359 305 F C 0.641 176.115 175.800 -0.544 0.000 1.122 305 F CA -0.419 57.309 58.000 -0.453 0.000 1.120 305 F CB 0.752 39.601 39.000 -0.252 0.000 1.142 305 F HN 0.645 nan 8.300 nan 0.000 0.483 306 D N 1.230 121.580 120.400 -0.084 0.000 2.425 306 D HA 0.145 4.776 4.640 -0.015 0.000 0.274 306 D C 1.117 177.598 176.300 0.300 0.000 1.242 306 D CA -0.430 53.694 54.000 0.207 0.000 1.060 306 D CB 0.834 41.835 40.800 0.335 0.000 1.112 306 D HN 0.569 nan 8.370 nan 0.000 0.561 307 C N -0.335 118.819 119.300 -0.245 0.000 2.396 307 C HA -0.159 4.292 4.460 -0.015 0.000 0.277 307 C C 2.241 176.657 174.990 -0.956 0.000 1.231 307 C CA 0.277 58.519 59.018 -1.293 0.000 1.775 307 C CB -1.289 25.005 27.740 -2.409 0.000 2.036 307 C HN 0.460 nan 8.230 nan 0.000 0.484 308 F N 1.406 121.347 119.950 -0.014 0.000 2.754 308 F HA 0.029 4.549 4.527 -0.011 0.000 0.303 308 F C 2.025 178.028 175.800 0.339 0.000 1.196 308 F CA 0.014 58.101 58.000 0.146 0.000 1.416 308 F CB -0.772 38.171 39.000 -0.095 0.000 1.092 308 F HN 0.591 nan 8.300 nan 0.000 0.541 309 W N -0.422 121.092 121.300 0.358 0.000 2.519 309 W HA 0.077 4.728 4.660 -0.015 0.000 0.266 309 W C 0.019 176.584 176.519 0.078 0.000 1.253 309 W CA 0.231 57.684 57.345 0.180 0.000 1.274 309 W CB -0.525 28.707 29.460 -0.380 0.000 1.114 309 W HN -0.050 nan 8.180 nan 0.000 0.596 310 M N 1.720 121.041 119.600 -0.466 0.000 2.528 310 M HA 0.274 4.745 4.480 -0.015 0.000 0.318 310 M C 0.329 176.721 176.300 0.153 0.000 1.195 310 M CA -0.557 54.570 55.300 -0.289 0.000 1.000 310 M CB 1.795 34.072 32.600 -0.537 0.000 1.615 310 M HN -0.345 nan 8.290 nan 0.000 0.469 311 K N 1.391 121.863 120.400 0.119 0.000 2.448 311 K HA 0.272 4.583 4.320 -0.015 0.000 0.278 311 K C -0.113 176.392 176.600 -0.158 0.000 1.009 311 K CA -0.348 55.978 56.287 0.065 0.000 0.995 311 K CB 0.459 32.986 32.500 0.045 0.000 0.917 311 K HN 0.771 nan 8.250 nan 0.000 0.481 312 A N 2.959 125.589 122.820 -0.317 0.000 2.587 312 A HA 0.021 4.332 4.320 -0.015 0.000 0.235 312 A C 0.159 177.180 177.584 -0.938 0.000 1.044 312 A CA 0.228 51.683 52.037 -0.970 0.000 0.754 312 A CB -0.616 17.842 19.000 -0.903 0.000 0.968 312 A HN 0.774 nan 8.150 nan 0.000 0.509 313 F N -1.345 118.049 119.950 -0.926 0.000 2.656 313 F HA -0.249 4.268 4.527 -0.017 0.000 0.381 313 F C 1.277 176.832 175.800 -0.408 0.000 0.603 313 F CA 1.721 59.357 58.000 -0.607 0.000 1.335 313 F CB -1.971 36.804 39.000 -0.374 0.000 1.836 313 F HN 0.748 nan 8.300 nan 0.000 0.290 314 Q N -1.224 118.421 119.800 -0.258 0.000 2.172 314 Q HA 0.084 4.415 4.340 -0.015 0.000 0.217 314 Q C -0.012 176.062 176.000 0.123 0.000 0.832 314 Q CA -0.306 55.488 55.803 -0.015 0.000 1.010 314 Q CB 0.420 29.180 28.738 0.037 0.000 1.133 314 Q HN 0.279 nan 8.270 nan 0.000 0.489 315 W N 0.240 121.527 121.300 -0.021 0.000 2.137 315 W HA 0.062 4.712 4.660 -0.015 0.000 0.344 315 W C 0.959 177.613 176.519 0.225 0.000 1.286 315 W CA -1.790 55.592 57.345 0.061 0.000 1.240 315 W CB 0.128 29.632 29.460 0.074 0.000 1.141 315 W HN 0.126 nan 8.180 nan 0.000 0.579 316 C N 3.865 123.458 119.300 0.488 0.000 3.139 316 C HA -0.274 4.177 4.460 -0.015 0.000 0.246 316 C C 1.335 176.266 174.990 -0.098 0.000 1.420 316 C CA 1.173 60.233 59.018 0.069 0.000 2.166 316 C CB -2.209 25.491 27.740 -0.065 0.000 1.420 316 C HN 0.638 nan 8.230 nan 0.000 0.484 317 D N -1.173 119.174 120.400 -0.088 0.000 2.398 317 D HA 0.109 4.740 4.640 -0.015 0.000 0.210 317 D C 0.893 177.307 176.300 0.191 0.000 1.094 317 D CA -0.103 53.992 54.000 0.157 0.000 0.839 317 D CB -0.327 40.635 40.800 0.269 0.000 0.963 317 D HN 0.509 nan 8.370 nan 0.000 0.506 318 F N -0.422 119.575 119.950 0.079 0.000 2.840 318 F HA -0.188 4.331 4.527 -0.014 0.000 0.310 318 F C -0.034 175.866 175.800 0.166 0.000 0.688 318 F CA 0.417 58.480 58.000 0.105 0.000 1.286 318 F CB -1.887 37.166 39.000 0.088 0.000 1.612 318 F HN -0.029 nan 8.300 nan 0.000 0.335 319 E N 0.565 120.870 120.200 0.174 0.000 2.109 319 E HA 0.199 4.541 4.350 -0.015 0.000 0.278 319 E C -0.247 176.500 176.600 0.246 0.000 0.954 319 E CA -0.684 55.881 56.400 0.275 0.000 0.779 319 E CB 0.406 30.248 29.700 0.237 0.000 1.093 319 E HN 0.181 nan 8.360 nan 0.000 0.401 320 W N 1.652 123.198 121.300 0.409 0.000 2.231 320 W HA -0.046 4.604 4.660 -0.017 0.000 0.341 320 W C 1.044 177.759 176.519 0.327 0.000 1.298 320 W CA 0.179 57.804 57.345 0.467 0.000 1.266 320 W CB 0.330 30.024 29.460 0.390 0.000 1.172 320 W HN 0.309 nan 8.180 nan 0.000 0.568 321 D N 4.032 124.784 120.400 0.586 0.000 2.346 321 D HA 0.056 4.687 4.640 -0.015 0.000 0.260 321 D C -1.469 175.067 176.300 0.395 0.000 1.252 321 D CA -1.795 52.456 54.000 0.419 0.000 0.895 321 D CB 1.259 42.294 40.800 0.391 0.000 1.097 321 D HN 0.004 nan 8.370 nan 0.000 0.489 322 P HA -0.040 nan 4.420 nan 0.000 0.221 322 P C 1.339 178.719 177.300 0.134 0.000 1.150 322 P CA 0.761 63.982 63.100 0.202 0.000 0.800 322 P CB 0.253 32.043 31.700 0.151 0.000 0.787 323 L N -1.895 119.389 121.223 0.101 0.000 2.375 323 L HA 0.034 4.365 4.340 -0.015 0.000 0.215 323 L C 1.689 178.548 176.870 -0.019 0.000 1.108 323 L CA 1.197 56.059 54.840 0.036 0.000 0.830 323 L CB -0.962 41.109 42.059 0.021 0.000 0.959 323 L HN 0.014 nan 8.230 nan 0.000 0.457 324 T N -1.554 112.986 114.554 -0.022 0.000 3.034 324 T HA 0.147 4.488 4.350 -0.015 0.000 0.248 324 T C 0.193 174.582 174.700 -0.519 0.000 1.040 324 T CA 0.399 62.331 62.100 -0.281 0.000 1.107 324 T CB 0.156 68.842 68.868 -0.303 0.000 0.932 324 T HN -0.029 nan 8.240 nan 0.000 0.474 325 F N 1.615 121.696 119.950 0.219 0.000 2.809 325 F HA 0.394 4.915 4.527 -0.010 0.000 0.369 325 F C -2.405 173.455 175.800 0.100 0.000 1.225 325 F CA -2.524 55.586 58.000 0.183 0.000 1.201 325 F CB 1.760 40.973 39.000 0.355 0.000 1.527 325 F HN -0.090 nan 8.300 nan 0.000 0.565 326 P HA -0.015 nan 4.420 nan 0.000 0.236 326 P C 0.011 177.335 177.300 0.039 0.000 1.177 326 P CA 0.975 64.130 63.100 0.092 0.000 0.773 326 P CB 0.442 32.171 31.700 0.048 0.000 0.878 327 D N -0.879 119.525 120.400 0.007 0.000 2.468 327 D HA 0.173 4.804 4.640 -0.015 0.000 0.272 327 D C -1.944 174.237 176.300 -0.199 0.000 1.221 327 D CA -2.050 51.905 54.000 -0.075 0.000 0.860 327 D CB 0.551 41.320 40.800 -0.053 0.000 1.190 327 D HN -0.148 nan 8.370 nan 0.000 0.509 328 P HA -0.098 nan 4.420 nan 0.000 0.215 328 P C 1.287 178.198 177.300 -0.649 0.000 1.157 328 P CA 0.768 63.351 63.100 -0.863 0.000 0.859 328 P CB 0.410 31.211 31.700 -1.498 0.000 0.786 329 E N -0.301 119.649 120.200 -0.417 0.000 2.077 329 E HA -0.135 4.207 4.350 -0.015 0.000 0.193 329 E C 2.191 178.660 176.600 -0.219 0.000 0.989 329 E CA 1.439 57.670 56.400 -0.282 0.000 0.800 329 E CB -0.874 28.714 29.700 -0.186 0.000 0.746 329 E HN 0.158 nan 8.360 nan 0.000 0.452 330 G N 1.201 109.891 108.800 -0.182 0.000 2.402 330 G HA2 -0.296 3.655 3.960 -0.015 0.000 0.216 330 G HA3 -0.296 3.655 3.960 -0.015 0.000 0.216 330 G C 1.543 176.365 174.900 -0.130 0.000 1.162 330 G CA 0.832 45.853 45.100 -0.131 0.000 0.777 330 G HN 0.286 nan 8.290 nan 0.000 0.539 331 M N 0.806 120.313 119.600 -0.155 0.000 2.065 331 M HA -0.129 4.342 4.480 -0.015 0.000 0.259 331 M C 2.501 178.727 176.300 -0.125 0.000 1.069 331 M CA 2.196 57.428 55.300 -0.115 0.000 1.110 331 M CB -0.284 32.253 32.600 -0.104 0.000 1.328 331 M HN 0.293 nan 8.290 nan 0.000 0.405 332 I N -1.134 119.308 120.570 -0.212 0.000 2.394 332 I HA -0.149 4.012 4.170 -0.015 0.000 0.251 332 I C 2.430 178.470 176.117 -0.129 0.000 1.136 332 I CA 1.528 62.728 61.300 -0.167 0.000 1.425 332 I CB -1.041 36.815 38.000 -0.240 0.000 1.079 332 I HN 0.311 nan 8.210 nan 0.000 0.425 333 R N 1.204 121.623 120.500 -0.135 0.000 2.066 333 R HA -0.107 4.224 4.340 -0.015 0.000 0.232 333 R C 2.547 178.791 176.300 -0.092 0.000 1.131 333 R CA 1.422 57.455 56.100 -0.111 0.000 0.955 333 R CB -0.169 30.068 30.300 -0.105 0.000 0.851 333 R HN 0.286 nan 8.270 nan 0.000 0.432 334 R N 0.206 120.656 120.500 -0.084 0.000 2.083 334 R HA -0.121 4.210 4.340 -0.015 0.000 0.237 334 R C 2.347 178.603 176.300 -0.073 0.000 1.137 334 R CA 1.870 57.927 56.100 -0.071 0.000 0.951 334 R CB -0.373 29.890 30.300 -0.062 0.000 0.851 334 R HN 0.267 nan 8.270 nan 0.000 0.434 335 L N 0.015 121.195 121.223 -0.071 0.000 2.141 335 L HA -0.117 4.214 4.340 -0.015 0.000 0.209 335 L C 2.314 179.132 176.870 -0.085 0.000 1.094 335 L CA 1.105 55.899 54.840 -0.076 0.000 0.763 335 L CB -0.256 41.773 42.059 -0.049 0.000 0.908 335 L HN 0.082 nan 8.230 nan 0.000 0.437 336 K N 0.359 120.703 120.400 -0.093 0.000 2.148 336 K HA -0.069 4.242 4.320 -0.015 0.000 0.204 336 K C 2.227 178.766 176.600 -0.103 0.000 1.050 336 K CA 1.035 57.254 56.287 -0.112 0.000 0.942 336 K CB -0.129 32.297 32.500 -0.123 0.000 0.724 336 K HN 0.251 nan 8.250 nan 0.000 0.446 337 A N 1.271 124.038 122.820 -0.088 0.000 1.948 337 A HA -0.264 4.048 4.320 -0.015 0.000 0.220 337 A C 1.777 179.317 177.584 -0.073 0.000 1.177 337 A CA 1.926 53.917 52.037 -0.077 0.000 0.636 337 A CB -0.421 18.538 19.000 -0.068 0.000 0.815 337 A HN 0.252 nan 8.150 nan 0.000 0.449 338 K N -1.740 118.615 120.400 -0.074 0.000 2.360 338 K HA 0.044 4.355 4.320 -0.015 0.000 0.201 338 K C 1.295 177.853 176.600 -0.069 0.000 1.046 338 K CA 0.816 57.062 56.287 -0.069 0.000 0.940 338 K CB -0.268 32.189 32.500 -0.072 0.000 0.748 338 K HN 0.836 nan 8.250 nan 0.000 0.465 339 G N 0.230 108.979 108.800 -0.085 0.000 2.176 339 G HA2 -0.257 3.694 3.960 -0.015 0.000 0.232 339 G HA3 -0.257 3.694 3.960 -0.015 0.000 0.232 339 G C 0.029 174.856 174.900 -0.121 0.000 0.986 339 G CA -0.313 44.730 45.100 -0.094 0.000 0.643 339 G HN 0.156 nan 8.290 nan 0.000 0.522 340 L N 1.197 122.348 121.223 -0.120 0.000 2.514 340 L HA 0.220 4.551 4.340 -0.015 0.000 0.280 340 L C 0.805 177.536 176.870 -0.233 0.000 1.223 340 L CA 0.203 54.959 54.840 -0.141 0.000 0.864 340 L CB 0.403 42.401 42.059 -0.100 0.000 1.118 340 L HN 0.039 nan 8.230 nan 0.000 0.494 341 K N 4.016 124.219 120.400 -0.328 0.000 2.118 341 K HA 0.516 4.827 4.320 -0.015 0.000 0.267 341 K C -0.804 175.598 176.600 -0.330 0.000 0.991 341 K CA -0.665 55.320 56.287 -0.503 0.000 0.916 341 K CB 1.882 33.803 32.500 -0.965 0.000 1.041 341 K HN 0.274 nan 8.250 nan 0.000 0.455 342 I N 1.040 121.441 120.570 -0.282 0.000 2.436 342 I HA 0.166 4.327 4.170 -0.015 0.000 0.289 342 I C -0.337 175.704 176.117 -0.126 0.000 1.010 342 I CA -0.459 60.779 61.300 -0.103 0.000 1.098 342 I CB 1.675 39.669 38.000 -0.009 0.000 1.266 342 I HN 0.521 nan 8.210 nan 0.000 0.434 343 C N 7.118 126.407 119.300 -0.017 0.000 2.435 343 C HA 0.911 5.362 4.460 -0.015 0.000 0.333 343 C C -0.308 174.763 174.990 0.136 0.000 1.202 343 C CA -0.367 58.699 59.018 0.079 0.000 1.830 343 C CB 0.884 28.792 27.740 0.281 0.000 2.326 343 C HN 0.700 nan 8.230 nan 0.000 0.507 344 V N 3.041 123.015 119.914 0.100 0.000 2.876 344 V HA 0.662 4.773 4.120 -0.015 0.000 0.312 344 V C -0.839 175.557 176.094 0.503 0.000 1.085 344 V CA -0.858 61.476 62.300 0.056 0.000 0.945 344 V CB 1.435 32.981 31.823 -0.461 0.000 1.017 344 V HN 1.093 nan 8.190 nan 0.000 0.428 345 W N 6.241 127.803 121.300 0.437 0.000 2.253 345 W HA 0.652 5.305 4.660 -0.011 0.000 0.322 345 W C -0.162 176.670 176.519 0.521 0.000 1.342 345 W CA 0.054 57.708 57.345 0.515 0.000 1.218 345 W CB 0.648 30.334 29.460 0.377 0.000 1.205 345 W HN 0.868 nan 8.180 nan 0.000 0.551 346 I N 4.385 124.757 120.570 -0.330 0.000 3.174 346 I HA 0.664 4.825 4.170 -0.015 0.000 0.313 346 I C -0.900 174.598 176.117 -1.032 0.000 1.155 346 I CA -1.234 59.763 61.300 -0.506 0.000 0.977 346 I CB 2.271 40.298 38.000 0.046 0.000 1.248 346 I HN 0.604 nan 8.210 nan 0.000 0.453 347 N N 1.291 119.629 118.700 -0.602 0.000 3.106 347 N HA 0.500 5.231 4.740 -0.015 0.000 0.253 347 N C -2.960 172.485 175.510 -0.108 0.000 1.506 347 N CA -1.640 51.221 53.050 -0.315 0.000 0.876 347 N CB 1.484 39.736 38.487 -0.392 0.000 1.452 347 N HN 0.417 nan 8.380 nan 0.000 0.542 348 P HA 0.303 nan 4.420 nan 0.000 0.254 348 P C -1.144 176.257 177.300 0.168 0.000 1.620 348 P CA 0.222 63.197 63.100 -0.208 0.000 1.050 348 P CB -0.416 30.906 31.700 -0.629 0.000 1.539 349 Y N 0.037 120.513 120.300 0.294 0.000 2.602 349 Y HA 0.654 5.195 4.550 -0.015 0.000 0.342 349 Y C 0.110 176.161 175.900 0.251 0.000 1.029 349 Y CA -2.426 55.794 58.100 0.200 0.000 1.080 349 Y CB 1.203 39.801 38.460 0.229 0.000 1.284 349 Y HN -0.272 nan 8.280 nan 0.000 0.485 350 I N 0.730 121.487 120.570 0.312 0.000 2.548 350 I HA 0.694 4.856 4.170 -0.015 0.000 0.287 350 I C -0.208 176.117 176.117 0.346 0.000 1.103 350 I CA -0.269 61.203 61.300 0.286 0.000 1.049 350 I CB 1.569 39.613 38.000 0.074 0.000 1.232 350 I HN 0.656 nan 8.210 nan 0.000 0.429 351 G N 4.933 113.899 108.800 0.276 0.000 2.483 351 G HA2 0.170 4.121 3.960 -0.015 0.000 0.248 351 G HA3 0.170 4.121 3.960 -0.015 0.000 0.248 351 G C 0.245 175.144 174.900 -0.002 0.000 1.248 351 G CA -0.235 44.934 45.100 0.116 0.000 0.838 351 G HN 0.818 nan 8.290 nan 0.000 0.566 352 Q N 1.111 120.698 119.800 -0.356 0.000 2.224 352 Q HA -0.102 4.229 4.340 -0.015 0.000 0.203 352 Q C 2.246 177.971 176.000 -0.458 0.000 0.970 352 Q CA 1.282 56.499 55.803 -0.975 0.000 0.865 352 Q CB -0.046 28.110 28.738 -0.971 0.000 0.922 352 Q HN 0.713 nan 8.270 nan 0.000 0.445 353 K N 0.295 120.563 120.400 -0.220 0.000 2.147 353 K HA -0.073 4.238 4.320 -0.015 0.000 0.205 353 K C 0.622 177.222 176.600 -0.000 0.000 1.049 353 K CA 0.681 56.908 56.287 -0.100 0.000 0.936 353 K CB -0.113 32.362 32.500 -0.042 0.000 0.722 353 K HN 0.032 nan 8.250 nan 0.000 0.446 354 S N 1.224 116.961 115.700 0.062 0.000 2.544 354 S HA 0.046 4.507 4.470 -0.015 0.000 0.290 354 S C -1.841 172.862 174.600 0.171 0.000 1.276 354 S CA -1.326 56.959 58.200 0.143 0.000 1.075 354 S CB 0.859 64.189 63.200 0.217 0.000 0.849 354 S HN 0.094 nan 8.310 nan 0.000 0.494 355 P HA -0.103 nan 4.420 nan 0.000 0.218 355 P C 1.232 178.653 177.300 0.201 0.000 1.146 355 P CA 0.736 63.930 63.100 0.156 0.000 0.813 355 P CB 0.003 31.790 31.700 0.146 0.000 0.778 356 V N -1.775 118.292 119.914 0.255 0.000 2.871 356 V HA -0.163 3.949 4.120 -0.015 0.000 0.256 356 V C 2.043 178.263 176.094 0.211 0.000 1.082 356 V CA 0.971 63.447 62.300 0.294 0.000 1.105 356 V CB -1.292 30.797 31.823 0.444 0.000 0.713 356 V HN 0.014 nan 8.190 nan 0.000 0.473 357 F N 1.603 121.596 119.950 0.071 0.000 2.065 357 F HA -0.258 4.261 4.527 -0.013 0.000 0.298 357 F C 2.510 178.291 175.800 -0.031 0.000 1.112 357 F CA 2.416 60.416 58.000 -0.000 0.000 1.212 357 F CB -0.179 38.819 39.000 -0.002 0.000 0.975 357 F HN -0.008 nan 8.300 nan 0.000 0.476 358 K N 0.282 120.838 120.400 0.259 0.000 2.113 358 K HA -0.289 4.022 4.320 -0.015 0.000 0.208 358 K C 2.236 178.826 176.600 -0.016 0.000 1.047 358 K CA 1.922 58.287 56.287 0.129 0.000 0.928 358 K CB -0.385 32.191 32.500 0.127 0.000 0.716 358 K HN 0.511 nan 8.250 nan 0.000 0.446 359 E N 0.538 120.730 120.200 -0.014 0.000 2.072 359 E HA -0.183 4.158 4.350 -0.015 0.000 0.191 359 E C 2.084 178.531 176.600 -0.255 0.000 0.985 359 E CA 0.921 57.279 56.400 -0.071 0.000 0.801 359 E CB -0.032 29.695 29.700 0.045 0.000 0.750 359 E HN 0.323 nan 8.360 nan 0.000 0.452 360 L N 0.731 121.755 121.223 -0.332 0.000 2.083 360 L HA -0.196 4.136 4.340 -0.015 0.000 0.209 360 L C 2.938 179.542 176.870 -0.443 0.000 1.083 360 L CA 1.439 55.988 54.840 -0.485 0.000 0.752 360 L CB -0.481 41.273 42.059 -0.507 0.000 0.899 360 L HN 0.282 nan 8.230 nan 0.000 0.433 361 Q N 0.474 120.031 119.800 -0.403 0.000 2.020 361 Q HA -0.240 4.092 4.340 -0.015 0.000 0.202 361 Q C 2.065 177.941 176.000 -0.207 0.000 0.982 361 Q CA 1.756 57.379 55.803 -0.300 0.000 0.838 361 Q CB 0.013 28.618 28.738 -0.221 0.000 0.899 361 Q HN 0.494 nan 8.270 nan 0.000 0.423 362 E N 0.282 120.375 120.200 -0.178 0.000 2.085 362 E HA -0.210 4.131 4.350 -0.015 0.000 0.194 362 E C 1.963 178.438 176.600 -0.209 0.000 0.994 362 E CA 1.344 57.657 56.400 -0.145 0.000 0.801 362 E CB 0.042 29.679 29.700 -0.106 0.000 0.743 362 E HN 0.296 nan 8.360 nan 0.000 0.453 363 K N -0.894 119.281 120.400 -0.376 0.000 2.296 363 K HA 0.013 4.324 4.320 -0.015 0.000 0.200 363 K C 1.022 177.340 176.600 -0.470 0.000 1.048 363 K CA 0.564 56.502 56.287 -0.581 0.000 0.966 363 K CB 0.430 32.204 32.500 -1.210 0.000 0.754 363 K HN 0.258 nan 8.250 nan 0.000 0.466 364 G N 0.818 109.435 108.800 -0.305 0.000 2.142 364 G HA2 -0.222 3.730 3.960 -0.015 0.000 0.225 364 G HA3 -0.222 3.730 3.960 -0.015 0.000 0.225 364 G C 0.142 175.096 174.900 0.090 0.000 1.015 364 G CA -0.200 44.859 45.100 -0.068 0.000 0.716 364 G HN 0.207 nan 8.290 nan 0.000 0.508 365 Y N -0.406 119.807 120.300 -0.146 0.000 2.511 365 Y HA 0.434 4.976 4.550 -0.015 0.000 0.279 365 Y C 1.745 177.560 175.900 -0.141 0.000 1.157 365 Y CA -0.433 57.584 58.100 -0.139 0.000 1.300 365 Y CB 0.060 38.399 38.460 -0.202 0.000 1.052 365 Y HN 0.339 nan 8.280 nan 0.000 0.529 366 L N 0.037 121.225 121.223 -0.059 0.000 2.334 366 L HA 0.322 4.653 4.340 -0.015 0.000 0.272 366 L C -0.311 176.490 176.870 -0.115 0.000 1.020 366 L CA -1.361 53.385 54.840 -0.156 0.000 0.812 366 L CB 1.219 43.098 42.059 -0.301 0.000 1.264 366 L HN -0.201 nan 8.230 nan 0.000 0.439 367 L N 2.913 124.036 121.223 -0.167 0.000 2.559 367 L HA 0.059 4.391 4.340 -0.015 0.000 0.274 367 L C -0.187 176.582 176.870 -0.169 0.000 1.205 367 L CA 0.815 55.487 54.840 -0.279 0.000 0.907 367 L CB -0.325 41.423 42.059 -0.518 0.000 1.153 367 L HN 0.465 nan 8.230 nan 0.000 0.490 368 K N 5.237 125.536 120.400 -0.169 0.000 2.156 368 K HA 0.505 4.816 4.320 -0.015 0.000 0.250 368 K C -0.200 176.352 176.600 -0.081 0.000 0.955 368 K CA -0.921 55.322 56.287 -0.074 0.000 0.855 368 K CB 1.598 34.075 32.500 -0.039 0.000 1.101 368 K HN 0.576 nan 8.250 nan 0.000 0.434 369 R N 1.206 121.706 120.500 0.000 0.000 2.707 369 R HA 0.062 4.393 4.340 -0.015 0.000 0.270 369 R C -1.699 174.595 176.300 -0.009 0.000 1.083 369 R CA -1.552 54.556 56.100 0.013 0.000 1.182 369 R CB -0.052 30.277 30.300 0.048 0.000 1.084 369 R HN 0.329 nan 8.270 nan 0.000 0.528 370 P HA -0.157 nan 4.420 nan 0.000 0.221 370 P C 0.133 177.435 177.300 0.004 0.000 1.145 370 P CA 1.204 64.305 63.100 0.001 0.000 0.795 370 P CB 0.078 31.785 31.700 0.012 0.000 0.775 371 D N -2.053 118.350 120.400 0.006 0.000 2.340 371 D HA 0.073 4.705 4.640 -0.015 0.000 0.220 371 D C 1.498 177.800 176.300 0.002 0.000 1.039 371 D CA 0.707 54.710 54.000 0.004 0.000 0.866 371 D CB -0.759 40.044 40.800 0.004 0.000 0.913 371 D HN 0.222 nan 8.370 nan 0.000 0.523 372 G N 0.072 108.872 108.800 0.000 0.000 2.213 372 G HA2 -0.276 3.675 3.960 -0.015 0.000 0.236 372 G HA3 -0.276 3.675 3.960 -0.015 0.000 0.236 372 G C 0.480 175.379 174.900 -0.002 0.000 0.991 372 G CA 0.325 45.425 45.100 0.001 0.000 0.629 372 G HN 0.811 nan 8.290 nan 0.000 0.517 373 S N 0.619 116.318 115.700 -0.002 0.000 2.608 373 S HA 0.683 5.144 4.470 -0.015 0.000 0.261 373 S C 0.662 175.261 174.600 -0.002 0.000 1.314 373 S CA -0.673 57.525 58.200 -0.004 0.000 0.992 373 S CB 1.177 64.372 63.200 -0.008 0.000 0.935 373 S HN 0.671 nan 8.310 nan 0.000 0.564 374 L N 0.893 122.116 121.223 0.000 0.000 2.426 374 L HA 0.205 4.537 4.340 -0.015 0.000 0.271 374 L C 0.082 176.968 176.870 0.025 0.000 1.169 374 L CA -0.489 54.358 54.840 0.012 0.000 0.836 374 L CB 0.254 42.332 42.059 0.032 0.000 1.112 374 L HN 0.834 nan 8.230 nan 0.000 0.465 375 W N 4.473 125.692 121.300 -0.135 0.000 2.304 375 W HA 0.277 4.929 4.660 -0.014 0.000 0.313 375 W C -0.389 176.048 176.519 -0.136 0.000 1.323 375 W CA -0.021 57.225 57.345 -0.165 0.000 1.223 375 W CB 0.519 29.820 29.460 -0.265 0.000 1.237 375 W HN 0.441 nan 8.180 nan 0.000 0.535 376 Q N 5.486 124.792 119.800 -0.823 0.000 2.377 376 Q HA 0.366 4.697 4.340 -0.015 0.000 0.279 376 Q C -1.032 174.417 176.000 -0.919 0.000 1.049 376 Q CA -0.886 54.538 55.803 -0.631 0.000 0.825 376 Q CB 2.448 31.053 28.738 -0.221 0.000 1.401 376 Q HN 0.564 nan 8.270 nan 0.000 0.404 377 W N 0.278 121.151 121.300 -0.712 0.000 3.018 377 W HA 0.532 5.184 4.660 -0.014 0.000 0.382 377 W C -0.844 175.548 176.519 -0.212 0.000 1.161 377 W CA -0.918 56.163 57.345 -0.440 0.000 1.144 377 W CB -0.130 29.100 29.460 -0.384 0.000 1.499 377 W HN 0.471 nan 8.180 nan 0.000 0.596 378 D N 0.290 120.690 120.400 -0.000 0.000 2.395 378 D HA 0.111 4.742 4.640 -0.015 0.000 0.213 378 D C -0.163 175.999 176.300 -0.229 0.000 1.110 378 D CA 0.153 54.084 54.000 -0.115 0.000 0.835 378 D CB 0.510 41.235 40.800 -0.124 0.000 0.965 378 D HN 0.159 nan 8.370 nan 0.000 0.505 379 K N 0.138 120.174 120.400 -0.607 0.000 2.237 379 K HA 0.026 4.337 4.320 -0.015 0.000 0.270 379 K C 0.715 177.366 176.600 0.084 0.000 1.015 379 K CA -0.477 55.546 56.287 -0.439 0.000 0.949 379 K CB 1.638 33.581 32.500 -0.928 0.000 0.976 379 K HN 0.089 nan 8.250 nan 0.000 0.472 380 W N 0.104 121.422 121.300 0.030 0.000 0.764 380 W HA -0.378 4.275 4.660 -0.011 0.000 0.224 380 W C -0.691 175.915 176.519 0.146 0.000 1.033 380 W CA 1.718 59.165 57.345 0.170 0.000 0.992 380 W CB -0.451 29.117 29.460 0.180 0.000 1.776 380 W HN 0.578 nan 8.180 nan 0.000 0.507 381 Q N 0.327 120.179 119.800 0.087 0.000 2.423 381 Q HA 0.421 4.752 4.340 -0.015 0.000 0.278 381 Q C -2.319 173.661 176.000 -0.033 0.000 1.097 381 Q CA -1.796 53.972 55.803 -0.059 0.000 0.809 381 Q CB 1.511 30.257 28.738 0.013 0.000 1.391 381 Q HN -0.116 nan 8.270 nan 0.000 0.428 382 P HA 0.063 nan 4.420 nan 0.000 0.271 382 P C 0.414 177.612 177.300 -0.169 0.000 1.220 382 P CA 0.599 63.577 63.100 -0.203 0.000 0.768 382 P CB 0.262 31.733 31.700 -0.382 0.000 0.848 383 G N 2.947 111.664 108.800 -0.139 0.000 2.305 383 G HA2 -0.290 3.662 3.960 -0.015 0.000 0.287 383 G HA3 -0.290 3.662 3.960 -0.015 0.000 0.287 383 G C 0.003 174.871 174.900 -0.054 0.000 1.036 383 G CA -0.165 44.842 45.100 -0.154 0.000 0.887 383 G HN 0.626 nan 8.290 nan 0.000 0.505 384 L N 0.038 121.316 121.223 0.092 0.000 2.540 384 L HA 0.503 4.835 4.340 -0.015 0.000 0.276 384 L C 0.724 177.741 176.870 0.245 0.000 1.212 384 L CA 0.507 55.486 54.840 0.232 0.000 0.893 384 L CB 0.443 42.717 42.059 0.357 0.000 1.138 384 L HN 0.594 nan 8.230 nan 0.000 0.491 385 A N 6.327 129.331 122.820 0.306 0.000 2.350 385 A HA 0.782 5.094 4.320 -0.015 0.000 0.318 385 A C -0.794 176.837 177.584 0.077 0.000 1.132 385 A CA -0.755 51.403 52.037 0.201 0.000 0.811 385 A CB 1.125 20.191 19.000 0.108 0.000 1.313 385 A HN 0.696 nan 8.150 nan 0.000 0.454 386 I N 0.690 121.249 120.570 -0.019 0.000 2.404 386 I HA 0.238 4.400 4.170 -0.015 0.000 0.293 386 I C -1.127 174.883 176.117 -0.177 0.000 0.992 386 I CA -0.477 60.792 61.300 -0.050 0.000 1.149 386 I CB 1.413 39.309 38.000 -0.172 0.000 1.315 386 I HN 0.631 nan 8.210 nan 0.000 0.446 387 Y N 3.746 123.963 120.300 -0.138 0.000 2.650 387 Y HA -0.062 4.479 4.550 -0.015 0.000 0.331 387 Y C 0.814 176.447 175.900 -0.444 0.000 1.165 387 Y CA 0.083 57.971 58.100 -0.353 0.000 1.473 387 Y CB 0.018 38.109 38.460 -0.614 0.000 1.224 387 Y HN 0.446 nan 8.280 nan 0.000 0.533 388 D N 4.568 124.947 120.400 -0.035 0.000 2.383 388 D HA 0.009 4.641 4.640 -0.015 0.000 0.245 388 D C 0.069 176.475 176.300 0.176 0.000 1.263 388 D CA 0.196 54.302 54.000 0.177 0.000 0.936 388 D CB -0.205 40.699 40.800 0.172 0.000 1.053 388 D HN 0.538 nan 8.370 nan 0.000 0.507 389 F N 1.074 121.180 119.950 0.260 0.000 2.802 389 F HA -0.052 4.466 4.527 -0.015 0.000 0.300 389 F C 2.417 178.236 175.800 0.031 0.000 1.168 389 F CA 0.204 58.210 58.000 0.009 0.000 1.433 389 F CB 0.264 39.131 39.000 -0.222 0.000 1.115 389 F HN 0.335 nan 8.300 nan 0.000 0.582 390 T N -3.376 111.372 114.554 0.324 0.000 3.100 390 T HA -0.042 4.299 4.350 -0.015 0.000 0.253 390 T C 0.761 175.605 174.700 0.240 0.000 1.118 390 T CA -0.070 62.199 62.100 0.282 0.000 1.058 390 T CB -0.300 68.780 68.868 0.353 0.000 0.953 390 T HN -0.022 nan 8.240 nan 0.000 0.515 391 N N 2.648 121.380 118.700 0.053 0.000 2.406 391 N HA 0.255 4.986 4.740 -0.015 0.000 0.251 391 N C -2.098 173.236 175.510 -0.293 0.000 1.069 391 N CA -2.257 50.509 53.050 -0.472 0.000 0.947 391 N CB 1.812 39.986 38.487 -0.521 0.000 1.111 391 N HN 0.009 nan 8.380 nan 0.000 0.497 392 P HA -0.084 nan 4.420 nan 0.000 0.218 392 P C 0.445 177.647 177.300 -0.165 0.000 1.148 392 P CA 1.056 64.085 63.100 -0.118 0.000 0.822 392 P CB 0.472 32.145 31.700 -0.045 0.000 0.784 393 D N -0.800 119.440 120.400 -0.266 0.000 2.117 393 D HA -0.078 4.553 4.640 -0.015 0.000 0.198 393 D C 2.029 177.922 176.300 -0.678 0.000 0.982 393 D CA 1.443 55.257 54.000 -0.311 0.000 0.828 393 D CB -0.751 39.973 40.800 -0.127 0.000 0.967 393 D HN 0.053 nan 8.370 nan 0.000 0.464 394 A N 0.336 122.677 122.820 -0.799 0.000 1.898 394 A HA -0.167 4.144 4.320 -0.015 0.000 0.216 394 A C 2.524 180.071 177.584 -0.062 0.000 1.181 394 A CA 1.151 52.801 52.037 -0.645 0.000 0.620 394 A CB -0.927 17.931 19.000 -0.236 0.000 0.819 394 A HN 0.329 nan 8.150 nan 0.000 0.442 395 C N -0.679 118.620 119.300 -0.002 0.000 2.413 395 C HA -0.096 4.356 4.460 -0.015 0.000 0.276 395 C C 2.705 177.718 174.990 0.037 0.000 1.236 395 C CA 1.440 60.495 59.018 0.061 0.000 1.735 395 C CB -0.974 26.750 27.740 -0.027 0.000 2.031 395 C HN 0.723 nan 8.230 nan 0.000 0.474 396 K N -0.852 119.541 120.400 -0.011 0.000 2.057 396 K HA -0.230 4.081 4.320 -0.015 0.000 0.207 396 K C 2.011 178.646 176.600 0.059 0.000 1.049 396 K CA 1.786 58.074 56.287 0.001 0.000 0.931 396 K CB -0.333 32.163 32.500 -0.007 0.000 0.714 396 K HN 0.709 nan 8.250 nan 0.000 0.440 397 W N 0.302 121.542 121.300 -0.100 0.000 2.358 397 W HA -0.259 4.392 4.660 -0.015 0.000 0.303 397 W C 1.910 178.410 176.519 -0.031 0.000 1.208 397 W CA 1.642 58.980 57.345 -0.013 0.000 1.274 397 W CB -0.286 29.216 29.460 0.069 0.000 1.138 397 W HN 0.176 nan 8.180 nan 0.000 0.515 398 Y N 0.698 121.137 120.300 0.232 0.000 2.184 398 Y HA -0.130 4.411 4.550 -0.015 0.000 0.290 398 Y C 2.431 178.129 175.900 -0.336 0.000 1.129 398 Y CA 2.549 60.636 58.100 -0.022 0.000 1.144 398 Y CB -0.893 37.621 38.460 0.089 0.000 0.995 398 Y HN -0.024 nan 8.280 nan 0.000 0.513 399 A N 0.205 123.002 122.820 -0.039 0.000 1.917 399 A HA -0.248 4.063 4.320 -0.015 0.000 0.219 399 A C 1.880 179.293 177.584 -0.286 0.000 1.182 399 A CA 2.220 54.155 52.037 -0.170 0.000 0.633 399 A CB -0.895 18.041 19.000 -0.107 0.000 0.819 399 A HN 0.535 nan 8.150 nan 0.000 0.448 400 D N -0.239 119.984 120.400 -0.296 0.000 2.117 400 D HA -0.111 4.520 4.640 -0.015 0.000 0.197 400 D C 1.944 177.972 176.300 -0.452 0.000 0.987 400 D CA 1.092 54.898 54.000 -0.323 0.000 0.829 400 D CB -0.180 40.447 40.800 -0.289 0.000 0.961 400 D HN 0.255 nan 8.370 nan 0.000 0.460 401 K N 0.442 120.399 120.400 -0.738 0.000 2.063 401 K HA -0.087 4.225 4.320 -0.015 0.000 0.208 401 K C 2.359 178.507 176.600 -0.753 0.000 1.048 401 K CA 0.486 56.226 56.287 -0.911 0.000 0.928 401 K CB -0.551 30.942 32.500 -1.680 0.000 0.713 401 K HN 0.279 nan 8.250 nan 0.000 0.442 402 L N 0.835 121.587 121.223 -0.785 0.000 2.056 402 L HA -0.160 4.171 4.340 -0.015 0.000 0.207 402 L C 2.420 179.209 176.870 -0.136 0.000 1.078 402 L CA 1.265 55.807 54.840 -0.497 0.000 0.749 402 L CB -0.409 41.282 42.059 -0.613 0.000 0.901 402 L HN 0.135 nan 8.230 nan 0.000 0.433 403 K N 0.246 120.545 120.400 -0.169 0.000 2.113 403 K HA -0.161 4.150 4.320 -0.015 0.000 0.208 403 K C 2.141 178.700 176.600 -0.068 0.000 1.047 403 K CA 1.385 57.619 56.287 -0.088 0.000 0.928 403 K CB -0.557 31.876 32.500 -0.112 0.000 0.716 403 K HN 0.429 nan 8.250 nan 0.000 0.446 404 G N 1.321 110.055 108.800 -0.111 0.000 2.440 404 G HA2 -0.230 3.722 3.960 -0.015 0.000 0.218 404 G HA3 -0.230 3.722 3.960 -0.015 0.000 0.218 404 G C 1.462 176.365 174.900 0.004 0.000 1.154 404 G CA 0.650 45.712 45.100 -0.064 0.000 0.767 404 G HN 0.111 nan 8.290 nan 0.000 0.552 405 L N 0.105 121.359 121.223 0.051 0.000 2.109 405 L HA -0.031 4.301 4.340 -0.015 0.000 0.207 405 L C 2.976 179.874 176.870 0.046 0.000 1.086 405 L CA 0.235 55.150 54.840 0.123 0.000 0.760 405 L CB -0.423 41.799 42.059 0.271 0.000 0.910 405 L HN 0.075 nan 8.230 nan 0.000 0.437 406 V N 0.314 120.264 119.914 0.060 0.000 2.295 406 V HA -0.298 3.813 4.120 -0.015 0.000 0.246 406 V C 2.740 178.802 176.094 -0.052 0.000 1.049 406 V CA 1.872 64.159 62.300 -0.022 0.000 1.024 406 V CB -0.908 30.919 31.823 0.006 0.000 0.648 406 V HN 0.488 nan 8.190 nan 0.000 0.447 407 A N 0.383 123.179 122.820 -0.040 0.000 2.070 407 A HA -0.198 4.113 4.320 -0.015 0.000 0.220 407 A C 2.172 179.718 177.584 -0.063 0.000 1.159 407 A CA 2.022 54.028 52.037 -0.052 0.000 0.656 407 A CB -0.554 18.418 19.000 -0.046 0.000 0.800 407 A HN 0.716 nan 8.150 nan 0.000 0.453 408 M N -2.772 116.791 119.600 -0.062 0.000 2.561 408 M HA 0.386 4.857 4.480 -0.015 0.000 0.238 408 M C 1.028 177.254 176.300 -0.123 0.000 1.131 408 M CA 1.279 56.523 55.300 -0.093 0.000 1.046 408 M CB 0.359 32.902 32.600 -0.095 0.000 1.532 408 M HN 0.557 nan 8.290 nan 0.000 0.497 409 G N 0.636 109.365 108.800 -0.119 0.000 2.192 409 G HA2 -0.147 3.805 3.960 -0.015 0.000 0.193 409 G HA3 -0.147 3.805 3.960 -0.015 0.000 0.193 409 G C -0.179 174.618 174.900 -0.171 0.000 0.999 409 G CA -0.110 44.904 45.100 -0.144 0.000 0.659 409 G HN 0.337 nan 8.290 nan 0.000 0.503 410 V N 2.132 121.939 119.914 -0.178 0.000 2.529 410 V HA 0.217 4.328 4.120 -0.015 0.000 0.292 410 V C 1.100 177.010 176.094 -0.307 0.000 1.028 410 V CA 0.791 62.938 62.300 -0.254 0.000 1.074 410 V CB 1.292 32.928 31.823 -0.311 0.000 0.958 410 V HN 0.320 nan 8.190 nan 0.000 0.481 411 D N 2.457 122.670 120.400 -0.311 0.000 2.301 411 D HA 0.097 4.728 4.640 -0.015 0.000 0.206 411 D C 0.539 176.722 176.300 -0.194 0.000 0.979 411 D CA 0.877 54.721 54.000 -0.259 0.000 0.874 411 D CB 0.625 41.204 40.800 -0.368 0.000 0.968 411 D HN 0.762 nan 8.370 nan 0.000 0.510 412 C N -1.608 117.505 119.300 -0.311 0.000 3.336 412 C HA 0.767 5.218 4.460 -0.015 0.000 0.339 412 C C -1.429 173.278 174.990 -0.472 0.000 1.468 412 C CA -1.355 57.532 59.018 -0.218 0.000 1.287 412 C CB 0.886 28.758 27.740 0.219 0.000 1.682 412 C HN -0.007 nan 8.230 nan 0.000 0.451 413 F N 0.623 120.680 119.950 0.178 0.000 2.569 413 F HA 0.563 5.081 4.527 -0.015 0.000 0.312 413 F C 0.034 175.930 175.800 0.160 0.000 1.109 413 F CA -0.595 57.499 58.000 0.157 0.000 0.919 413 F CB 1.764 40.828 39.000 0.105 0.000 1.211 413 F HN 0.755 nan 8.300 nan 0.000 0.446 414 K N 2.425 123.037 120.400 0.354 0.000 2.250 414 K HA 0.229 4.540 4.320 -0.015 0.000 0.280 414 K C -0.371 176.312 176.600 0.139 0.000 1.098 414 K CA -0.317 56.075 56.287 0.174 0.000 0.916 414 K CB 0.507 32.996 32.500 -0.017 0.000 1.209 414 K HN 0.714 nan 8.250 nan 0.000 0.461 415 T N 1.361 115.991 114.554 0.128 0.000 2.987 415 T HA 0.078 4.419 4.350 -0.015 0.000 0.288 415 T C -0.069 174.719 174.700 0.146 0.000 0.981 415 T CA -0.844 61.278 62.100 0.038 0.000 1.031 415 T CB 0.340 69.033 68.868 -0.292 0.000 0.976 415 T HN 0.443 nan 8.240 nan 0.000 0.612 416 D N 1.600 122.084 120.400 0.140 0.000 2.340 416 D HA 0.542 5.173 4.640 -0.015 0.000 0.251 416 D C 0.522 176.989 176.300 0.277 0.000 1.080 416 D CA -0.820 53.307 54.000 0.211 0.000 0.971 416 D CB 0.297 41.260 40.800 0.271 0.000 1.137 416 D HN 0.462 nan 8.370 nan 0.000 0.475 417 F N -0.193 119.764 119.950 0.012 0.000 2.183 417 F HA -0.134 4.384 4.527 -0.015 0.000 0.318 417 F C 1.727 177.591 175.800 0.107 0.000 0.129 417 F CA 1.294 59.293 58.000 -0.003 0.000 0.912 417 F CB -1.313 37.575 39.000 -0.187 0.000 4.135 417 F HN 0.604 nan 8.300 nan 0.000 0.137 418 G N -1.067 107.922 108.800 0.313 0.000 2.179 418 G HA2 -0.205 3.747 3.960 -0.015 0.000 0.220 418 G HA3 -0.205 3.747 3.960 -0.015 0.000 0.220 418 G C 0.437 175.492 174.900 0.258 0.000 0.990 418 G CA 0.679 45.981 45.100 0.337 0.000 0.646 418 G HN 0.719 nan 8.290 nan 0.000 0.517 419 E N 0.190 120.544 120.200 0.257 0.000 2.075 419 E HA 0.211 4.552 4.350 -0.015 0.000 0.190 419 E C 1.674 178.274 176.600 -0.000 0.000 0.969 419 E CA 0.371 56.828 56.400 0.095 0.000 0.815 419 E CB -0.026 29.790 29.700 0.192 0.000 0.776 419 E HN 0.438 nan 8.360 nan 0.000 0.457 420 R N 1.563 122.194 120.500 0.218 0.000 4.138 420 R HA 0.165 4.496 4.340 -0.015 0.000 0.206 420 R C -0.536 175.739 176.300 -0.041 0.000 1.667 420 R CA -0.099 56.136 56.100 0.225 0.000 1.481 420 R CB -0.085 30.504 30.300 0.481 0.000 1.388 420 R HN 0.078 nan 8.270 nan 0.000 0.776 421 I N 4.153 124.622 120.570 -0.168 0.000 2.325 421 I HA 0.228 4.389 4.170 -0.015 0.000 0.291 421 I C -1.686 174.353 176.117 -0.131 0.000 1.019 421 I CA -3.271 57.850 61.300 -0.299 0.000 1.302 421 I CB 0.841 38.632 38.000 -0.349 0.000 1.401 421 I HN 0.108 nan 8.210 nan 0.000 0.485 422 P HA 0.169 nan 4.420 nan 0.000 0.274 422 P C 0.467 177.669 177.300 -0.164 0.000 1.231 422 P CA -0.083 62.756 63.100 -0.436 0.000 0.790 422 P CB 0.922 31.920 31.700 -1.169 0.000 0.951 423 T N -3.621 110.945 114.554 0.020 0.000 3.022 423 T HA 0.007 4.349 4.350 -0.015 0.000 0.250 423 T C 0.557 175.287 174.700 0.051 0.000 1.060 423 T CA -0.041 62.128 62.100 0.114 0.000 1.013 423 T CB -0.543 68.455 68.868 0.217 0.000 0.982 423 T HN 0.390 nan 8.240 nan 0.000 0.508 424 D N 2.935 123.344 120.400 0.014 0.000 2.994 424 D HA 0.288 4.919 4.640 -0.015 0.000 0.240 424 D C 0.430 176.730 176.300 0.000 0.000 1.195 424 D CA -0.437 53.590 54.000 0.046 0.000 0.957 424 D CB -0.206 40.662 40.800 0.114 0.000 1.105 424 D HN 0.497 nan 8.370 nan 0.000 0.477 425 V N -3.711 116.150 119.914 -0.088 0.000 3.202 425 V HA 0.596 4.707 4.120 -0.015 0.000 0.306 425 V C -1.242 174.740 176.094 -0.186 0.000 1.283 425 V CA -1.225 60.946 62.300 -0.215 0.000 1.065 425 V CB 2.017 33.506 31.823 -0.556 0.000 1.079 425 V HN 0.135 nan 8.190 nan 0.000 0.448 426 Q N 0.366 120.023 119.800 -0.238 0.000 2.290 426 Q HA 0.437 4.769 4.340 -0.015 0.000 0.269 426 Q C -1.896 174.007 176.000 -0.161 0.000 1.016 426 Q CA -0.470 55.269 55.803 -0.107 0.000 0.754 426 Q CB 1.710 30.429 28.738 -0.031 0.000 1.247 426 Q HN 0.801 nan 8.270 nan 0.000 0.451 427 W N 3.229 124.562 121.300 0.054 0.000 2.170 427 W HA 0.121 4.772 4.660 -0.015 0.000 0.336 427 W C 1.146 177.747 176.519 0.136 0.000 1.283 427 W CA -0.454 56.952 57.345 0.102 0.000 1.224 427 W CB 0.341 29.866 29.460 0.108 0.000 1.132 427 W HN 0.744 nan 8.180 nan 0.000 0.571 428 F N 2.675 122.792 119.950 0.279 0.000 2.085 428 F HA -0.380 4.138 4.527 -0.014 0.000 0.299 428 F C 2.159 178.067 175.800 0.179 0.000 1.096 428 F CA 2.509 60.623 58.000 0.191 0.000 1.227 428 F CB -0.088 39.024 39.000 0.185 0.000 0.983 428 F HN 0.395 nan 8.300 nan 0.000 0.482 429 D N -0.982 119.618 120.400 0.333 0.000 2.325 429 D HA 0.128 4.760 4.640 -0.015 0.000 0.225 429 D C 1.619 177.985 176.300 0.109 0.000 1.096 429 D CA 0.705 54.810 54.000 0.175 0.000 0.844 429 D CB -0.644 40.302 40.800 0.243 0.000 0.925 429 D HN 0.445 nan 8.370 nan 0.000 0.513 430 G N 0.059 108.945 108.800 0.142 0.000 2.168 430 G HA2 -0.309 3.642 3.960 -0.015 0.000 0.257 430 G HA3 -0.309 3.642 3.960 -0.015 0.000 0.257 430 G C 0.376 175.357 174.900 0.135 0.000 0.997 430 G CA 0.388 45.561 45.100 0.121 0.000 0.708 430 G HN 0.435 nan 8.290 nan 0.000 0.520 431 S N 0.092 115.884 115.700 0.155 0.000 2.566 431 S HA 0.260 4.721 4.470 -0.015 0.000 0.280 431 S C 0.548 175.211 174.600 0.105 0.000 1.343 431 S CA 0.115 58.344 58.200 0.049 0.000 1.036 431 S CB 0.806 63.941 63.200 -0.108 0.000 0.866 431 S HN 0.469 nan 8.310 nan 0.000 0.526 432 D N 1.930 122.357 120.400 0.044 0.000 2.412 432 D HA 0.115 4.746 4.640 -0.015 0.000 0.257 432 D C -1.637 174.746 176.300 0.138 0.000 1.217 432 D CA -1.820 52.235 54.000 0.092 0.000 0.897 432 D CB 0.975 41.807 40.800 0.053 0.000 1.132 432 D HN 0.087 nan 8.370 nan 0.000 0.493 433 P HA -0.125 nan 4.420 nan 0.000 0.220 433 P C 1.170 178.656 177.300 0.309 0.000 1.148 433 P CA 0.854 64.183 63.100 0.382 0.000 0.803 433 P CB 0.310 32.229 31.700 0.364 0.000 0.782 434 Q N -0.088 119.867 119.800 0.258 0.000 2.167 434 Q HA -0.089 4.242 4.340 -0.015 0.000 0.202 434 Q C 1.862 178.055 176.000 0.322 0.000 0.970 434 Q CA 1.339 57.341 55.803 0.332 0.000 0.855 434 Q CB -0.381 28.495 28.738 0.229 0.000 0.911 434 Q HN 0.419 nan 8.270 nan 0.000 0.438 435 K N -0.394 120.110 120.400 0.173 0.000 2.186 435 K HA 0.086 4.398 4.320 -0.015 0.000 0.202 435 K C 1.989 178.625 176.600 0.061 0.000 1.052 435 K CA 0.380 56.719 56.287 0.086 0.000 0.965 435 K CB 0.085 32.560 32.500 -0.041 0.000 0.746 435 K HN 0.086 nan 8.250 nan 0.000 0.457 436 M N 0.293 119.894 119.600 0.002 0.000 2.374 436 M HA -0.122 4.349 4.480 -0.015 0.000 0.264 436 M C 1.957 178.267 176.300 0.016 0.000 1.067 436 M CA 1.529 56.757 55.300 -0.120 0.000 1.103 436 M CB -0.858 31.388 32.600 -0.590 0.000 1.402 436 M HN 0.240 nan 8.290 nan 0.000 0.444 437 H N 1.057 120.112 119.070 -0.025 0.000 2.290 437 H HA -0.135 4.412 4.556 -0.015 0.000 0.298 437 H C 1.761 176.984 175.328 -0.175 0.000 1.087 437 H CA 2.409 58.341 56.048 -0.194 0.000 1.291 437 H CB 0.159 29.547 29.762 -0.622 0.000 1.369 437 H HN 0.299 nan 8.280 nan 0.000 0.492 438 N N -0.905 117.761 118.700 -0.055 0.000 2.250 438 N HA -0.117 4.614 4.740 -0.015 0.000 0.181 438 N C 1.757 177.361 175.510 0.156 0.000 1.017 438 N CA 1.189 54.258 53.050 0.031 0.000 0.866 438 N CB -0.453 38.158 38.487 0.207 0.000 0.985 438 N HN 0.518 nan 8.380 nan 0.000 0.429 439 H N -0.456 118.670 119.070 0.093 0.000 2.495 439 H HA -0.008 4.540 4.556 -0.014 0.000 0.287 439 H C 1.777 177.201 175.328 0.160 0.000 1.033 439 H CA 0.869 56.995 56.048 0.129 0.000 1.307 439 H CB -0.206 29.576 29.762 0.033 0.000 1.401 439 H HN 0.222 nan 8.280 nan 0.000 0.555 440 Y N 0.425 120.691 120.300 -0.057 0.000 2.151 440 Y HA -0.331 4.210 4.550 -0.015 0.000 0.284 440 Y C 2.579 178.523 175.900 0.074 0.000 1.166 440 Y CA 1.922 60.001 58.100 -0.036 0.000 1.163 440 Y CB -0.637 37.804 38.460 -0.032 0.000 0.974 440 Y HN 0.340 nan 8.280 nan 0.000 0.511 441 A N -0.513 122.469 122.820 0.271 0.000 1.917 441 A HA -0.313 3.999 4.320 -0.015 0.000 0.219 441 A C 2.117 179.763 177.584 0.104 0.000 1.182 441 A CA 2.011 54.196 52.037 0.246 0.000 0.633 441 A CB -1.602 17.517 19.000 0.198 0.000 0.819 441 A HN 0.761 nan 8.150 nan 0.000 0.448 442 Y N 0.525 120.770 120.300 -0.093 0.000 2.133 442 Y HA -0.180 4.362 4.550 -0.014 0.000 0.287 442 Y C 2.136 177.893 175.900 -0.239 0.000 1.134 442 Y CA 1.757 59.780 58.100 -0.128 0.000 1.133 442 Y CB -0.130 38.199 38.460 -0.219 0.000 0.987 442 Y HN 0.236 nan 8.280 nan 0.000 0.502 443 I N 0.173 120.599 120.570 -0.240 0.000 2.194 443 I HA -0.371 3.791 4.170 -0.015 0.000 0.246 443 I C 2.416 178.261 176.117 -0.453 0.000 1.093 443 I CA 2.156 63.275 61.300 -0.301 0.000 1.355 443 I CB -1.553 36.310 38.000 -0.229 0.000 1.046 443 I HN 0.463 nan 8.210 nan 0.000 0.413 444 Y N 2.201 122.162 120.300 -0.565 0.000 2.114 444 Y HA -0.243 4.298 4.550 -0.015 0.000 0.284 444 Y C 2.584 178.157 175.900 -0.544 0.000 1.143 444 Y CA 1.626 59.347 58.100 -0.631 0.000 1.135 444 Y CB -0.166 38.119 38.460 -0.291 0.000 0.980 444 Y HN 0.168 nan 8.280 nan 0.000 0.499 445 N N 0.632 118.935 118.700 -0.662 0.000 2.188 445 N HA -0.209 4.522 4.740 -0.015 0.000 0.184 445 N C 1.809 176.757 175.510 -0.936 0.000 1.018 445 N CA 1.476 54.086 53.050 -0.734 0.000 0.858 445 N CB -0.322 37.897 38.487 -0.448 0.000 0.989 445 N HN 0.625 nan 8.380 nan 0.000 0.426 446 E N 1.480 120.957 120.200 -1.205 0.000 2.077 446 E HA -0.158 4.183 4.350 -0.015 0.000 0.193 446 E C 2.212 178.373 176.600 -0.732 0.000 0.989 446 E CA 0.564 56.078 56.400 -1.477 0.000 0.800 446 E CB -0.103 28.921 29.700 -1.127 0.000 0.746 446 E HN 0.248 nan 8.360 nan 0.000 0.452 447 L N 0.601 121.468 121.223 -0.593 0.000 1.989 447 L HA -0.212 4.120 4.340 -0.015 0.000 0.211 447 L C 2.461 179.129 176.870 -0.337 0.000 1.071 447 L CA 1.466 56.033 54.840 -0.454 0.000 0.749 447 L CB -0.239 41.435 42.059 -0.641 0.000 0.890 447 L HN 0.092 nan 8.230 nan 0.000 0.431 448 V N -0.785 118.924 119.914 -0.342 0.000 2.261 448 V HA -0.352 3.759 4.120 -0.015 0.000 0.246 448 V C 2.141 178.172 176.094 -0.104 0.000 1.047 448 V CA 2.308 64.490 62.300 -0.197 0.000 1.015 448 V CB -1.134 30.584 31.823 -0.174 0.000 0.642 448 V HN 0.734 nan 8.190 nan 0.000 0.446 449 W N 1.445 122.527 121.300 -0.363 0.000 2.304 449 W HA -0.297 4.354 4.660 -0.015 0.000 0.315 449 W C 2.322 178.736 176.519 -0.175 0.000 1.233 449 W CA 2.420 59.603 57.345 -0.270 0.000 1.261 449 W CB -0.467 28.699 29.460 -0.490 0.000 1.150 449 W HN 0.352 nan 8.180 nan 0.000 0.494 450 N N 0.253 118.917 118.700 -0.060 0.000 2.223 450 N HA -0.151 4.580 4.740 -0.015 0.000 0.185 450 N C 1.713 177.148 175.510 -0.125 0.000 1.016 450 N CA 1.708 54.713 53.050 -0.075 0.000 0.863 450 N CB -0.867 37.580 38.487 -0.067 0.000 0.983 450 N HN 0.037 nan 8.380 nan 0.000 0.429 451 V N 0.984 120.821 119.914 -0.129 0.000 2.295 451 V HA -0.181 3.930 4.120 -0.015 0.000 0.246 451 V C 2.198 178.234 176.094 -0.096 0.000 1.049 451 V CA 1.121 63.360 62.300 -0.101 0.000 1.024 451 V CB -0.382 31.385 31.823 -0.094 0.000 0.648 451 V HN 0.197 nan 8.190 nan 0.000 0.447 452 L N 0.170 121.316 121.223 -0.129 0.000 2.017 452 L HA -0.182 4.150 4.340 -0.015 0.000 0.208 452 L C 2.400 179.127 176.870 -0.239 0.000 1.073 452 L CA 2.047 56.785 54.840 -0.171 0.000 0.745 452 L CB -1.513 40.399 42.059 -0.245 0.000 0.894 452 L HN 0.396 nan 8.230 nan 0.000 0.432 453 K N -0.183 120.005 120.400 -0.353 0.000 2.089 453 K HA -0.241 4.071 4.320 -0.015 0.000 0.210 453 K C 1.373 177.896 176.600 -0.129 0.000 1.048 453 K CA 2.053 58.184 56.287 -0.261 0.000 0.926 453 K CB -0.016 32.352 32.500 -0.220 0.000 0.714 453 K HN 0.274 nan 8.250 nan 0.000 0.448 454 D N -0.807 119.530 120.400 -0.106 0.000 2.323 454 D HA -0.057 4.574 4.640 -0.015 0.000 0.209 454 D C 1.600 177.864 176.300 -0.061 0.000 0.973 454 D CA 1.444 55.404 54.000 -0.067 0.000 0.874 454 D CB 0.409 41.173 40.800 -0.059 0.000 0.930 454 D HN 0.539 nan 8.370 nan 0.000 0.521 455 T N -2.748 111.764 114.554 -0.071 0.000 3.098 455 T HA 0.020 4.361 4.350 -0.015 0.000 0.246 455 T C 1.870 176.536 174.700 -0.056 0.000 0.983 455 T CA 0.539 62.605 62.100 -0.057 0.000 1.094 455 T CB -0.426 68.413 68.868 -0.048 0.000 1.035 455 T HN 0.015 nan 8.240 nan 0.000 0.456 456 V N -0.740 119.135 119.914 -0.066 0.000 3.471 456 V HA 0.651 4.762 4.120 -0.015 0.000 0.258 456 V C 1.202 177.272 176.094 -0.041 0.000 1.192 456 V CA 0.071 62.341 62.300 -0.050 0.000 1.116 456 V CB -1.046 30.754 31.823 -0.038 0.000 0.792 456 V HN 1.079 nan 8.190 nan 0.000 0.459 457 G N 0.425 109.186 108.800 -0.065 0.000 2.712 457 G HA2 -0.163 3.789 3.960 -0.015 0.000 0.686 457 G HA3 -0.163 3.789 3.960 -0.015 0.000 0.686 457 G C 0.068 174.914 174.900 -0.089 0.000 1.181 457 G CA 0.156 45.224 45.100 -0.054 0.000 0.762 457 G HN 0.370 nan 8.290 nan 0.000 0.641 458 E N 0.325 120.482 120.200 -0.071 0.000 2.086 458 E HA -0.253 4.088 4.350 -0.015 0.000 0.200 458 E C 2.208 178.788 176.600 -0.033 0.000 1.012 458 E CA 2.294 58.654 56.400 -0.066 0.000 0.812 458 E CB 0.013 29.738 29.700 0.042 0.000 0.743 458 E HN 0.661 nan 8.360 nan 0.000 0.453 459 E N 0.428 120.638 120.200 0.017 0.000 2.209 459 E HA -0.178 4.163 4.350 -0.015 0.000 0.196 459 E C 1.560 178.183 176.600 0.040 0.000 0.993 459 E CA 1.092 57.524 56.400 0.053 0.000 0.819 459 E CB -0.012 29.729 29.700 0.067 0.000 0.745 459 E HN 0.269 nan 8.360 nan 0.000 0.477 460 E N -0.127 120.086 120.200 0.022 0.000 2.476 460 E HA 0.226 4.567 4.350 -0.015 0.000 0.199 460 E C 0.082 176.686 176.600 0.006 0.000 1.021 460 E CA 0.211 56.670 56.400 0.098 0.000 0.907 460 E CB 0.387 30.183 29.700 0.161 0.000 0.974 460 E HN 0.173 nan 8.360 nan 0.000 0.489 461 A N 1.560 124.250 122.820 -0.216 0.000 2.454 461 A HA 0.339 4.650 4.320 -0.015 0.000 0.260 461 A C -0.005 177.377 177.584 -0.337 0.000 1.106 461 A CA 0.005 51.746 52.037 -0.493 0.000 0.780 461 A CB 0.526 18.764 19.000 -1.270 0.000 1.044 461 A HN 0.024 nan 8.150 nan 0.000 0.498 462 V N 4.288 124.138 119.914 -0.108 0.000 3.012 462 V HA 0.667 4.778 4.120 -0.015 0.000 0.307 462 V C -0.956 175.263 176.094 0.208 0.000 1.166 462 V CA -0.613 61.745 62.300 0.097 0.000 0.974 462 V CB 1.983 33.789 31.823 -0.027 0.000 1.040 462 V HN 0.876 nan 8.190 nan 0.000 0.428 463 L N 4.101 125.458 121.223 0.223 0.000 2.279 463 L HA 0.660 4.991 4.340 -0.015 0.000 0.262 463 L C -1.469 175.448 176.870 0.078 0.000 1.019 463 L CA -0.662 54.288 54.840 0.183 0.000 0.823 463 L CB 2.303 44.445 42.059 0.139 0.000 1.358 463 L HN 0.613 nan 8.230 nan 0.000 0.432 464 F N 1.163 121.055 119.950 -0.096 0.000 2.532 464 F HA 0.613 5.131 4.527 -0.014 0.000 0.365 464 F C 0.039 175.876 175.800 0.061 0.000 1.112 464 F CA -0.479 57.400 58.000 -0.201 0.000 1.082 464 F CB 1.327 40.038 39.000 -0.482 0.000 1.319 464 F HN 0.362 nan 8.300 nan 0.000 0.457 465 A N 4.654 127.462 122.820 -0.019 0.000 2.304 465 A HA 0.566 4.877 4.320 -0.015 0.000 0.323 465 A C 0.872 178.355 177.584 -0.168 0.000 1.195 465 A CA -0.586 51.402 52.037 -0.082 0.000 0.826 465 A CB 1.109 19.858 19.000 -0.417 0.000 1.184 465 A HN 0.882 nan 8.150 nan 0.000 0.496 466 R N 1.028 121.326 120.500 -0.335 0.000 2.156 466 R HA 0.161 4.492 4.340 -0.015 0.000 0.207 466 R C 0.572 176.619 176.300 -0.421 0.000 1.040 466 R CA 0.965 56.537 56.100 -0.882 0.000 1.013 466 R CB 0.210 29.847 30.300 -1.105 0.000 0.931 466 R HN 0.651 nan 8.270 nan 0.000 0.465 467 S N -1.043 114.583 115.700 -0.124 0.000 2.607 467 S HA 0.822 5.284 4.470 -0.015 0.000 0.303 467 S C -1.499 173.156 174.600 0.092 0.000 1.086 467 S CA -0.392 57.820 58.200 0.020 0.000 0.995 467 S CB 1.929 65.192 63.200 0.105 0.000 1.084 467 S HN 0.324 nan 8.310 nan 0.000 0.507 468 A N 1.402 124.269 122.820 0.078 0.000 2.601 468 A HA 0.841 5.152 4.320 -0.015 0.000 0.291 468 A C -0.763 176.910 177.584 0.150 0.000 1.075 468 A CA -0.510 51.600 52.037 0.122 0.000 0.671 468 A CB 1.295 20.247 19.000 -0.080 0.000 1.277 468 A HN 0.962 nan 8.150 nan 0.000 0.417 469 S N -0.822 115.021 115.700 0.238 0.000 2.656 469 S HA 0.598 5.059 4.470 -0.015 0.000 0.273 469 S C -0.922 173.784 174.600 0.177 0.000 1.168 469 S CA -0.237 58.105 58.200 0.237 0.000 0.817 469 S CB 1.269 64.640 63.200 0.285 0.000 1.146 469 S HN 1.569 nan 8.310 nan 0.000 0.475 470 V N 2.855 122.748 119.914 -0.035 0.000 2.584 470 V HA 0.387 4.498 4.120 -0.015 0.000 0.303 470 V C 1.781 177.700 176.094 -0.292 0.000 1.035 470 V CA 2.114 64.207 62.300 -0.344 0.000 1.172 470 V CB -0.121 31.046 31.823 -1.094 0.000 0.896 470 V HN 1.552 nan 8.190 nan 0.000 0.486 471 G N 4.361 112.969 108.800 -0.321 0.000 2.284 471 G HA2 -0.200 3.751 3.960 -0.015 0.000 0.216 471 G HA3 -0.200 3.751 3.960 -0.015 0.000 0.216 471 G C 0.985 175.784 174.900 -0.167 0.000 1.009 471 G CA 0.255 45.194 45.100 -0.269 0.000 0.625 471 G HN 1.354 nan 8.290 nan 0.000 0.501 472 A N 1.157 124.004 122.820 0.045 0.000 2.172 472 A HA 0.127 4.438 4.320 -0.015 0.000 0.216 472 A C 2.225 179.698 177.584 -0.183 0.000 1.154 472 A CA 2.161 54.247 52.037 0.083 0.000 0.701 472 A CB -0.402 18.838 19.000 0.401 0.000 0.789 472 A HN 0.958 nan 8.150 nan 0.000 0.465 473 Q N 0.702 120.094 119.800 -0.680 0.000 2.364 473 Q HA -0.177 4.154 4.340 -0.015 0.000 0.209 473 Q C 1.124 176.777 176.000 -0.578 0.000 0.977 473 Q CA 1.694 56.979 55.803 -0.864 0.000 0.885 473 Q CB -0.523 27.345 28.738 -1.449 0.000 0.941 473 Q HN 0.660 nan 8.270 nan 0.000 0.464 474 K N 0.101 119.992 120.400 -0.848 0.000 2.442 474 K HA -0.011 4.300 4.320 -0.015 0.000 0.198 474 K C -0.294 175.536 176.600 -1.282 0.000 1.042 474 K CA 0.505 56.166 56.287 -1.043 0.000 0.958 474 K CB 0.070 31.783 32.500 -1.311 0.000 0.766 474 K HN 0.161 nan 8.250 nan 0.000 0.474 475 F N 1.462 121.014 119.950 -0.663 0.000 2.438 475 F HA 0.281 4.799 4.527 -0.014 0.000 0.315 475 F C -2.260 173.291 175.800 -0.415 0.000 1.258 475 F CA -3.624 53.800 58.000 -0.959 0.000 1.180 475 F CB 0.069 38.691 39.000 -0.630 0.000 1.412 475 F HN -0.157 nan 8.300 nan 0.000 0.544 476 P HA 0.229 nan 4.420 nan 0.000 0.273 476 P C -0.142 177.082 177.300 -0.128 0.000 1.250 476 P CA 0.007 63.098 63.100 -0.015 0.000 0.793 476 P CB 1.698 33.421 31.700 0.039 0.000 1.011 477 V N -1.224 118.536 119.914 -0.256 0.000 3.434 477 V HA -0.176 3.935 4.120 -0.015 0.000 0.459 477 V C -0.598 175.110 176.094 -0.645 0.000 0.681 477 V CA 0.497 62.474 62.300 -0.538 0.000 1.967 477 V CB -2.753 28.532 31.823 -0.898 0.000 2.417 477 V HN 0.739 nan 8.190 nan 0.000 0.495 478 H N 3.170 122.089 119.070 -0.252 0.000 2.457 478 H HA 0.701 5.249 4.556 -0.014 0.000 0.335 478 H C -0.036 175.099 175.328 -0.322 0.000 1.115 478 H CA 0.156 56.084 56.048 -0.200 0.000 1.219 478 H CB 1.316 31.030 29.762 -0.079 0.000 1.471 478 H HN 0.847 nan 8.280 nan 0.000 0.491 479 W N 2.260 123.286 121.300 -0.456 0.000 2.689 479 W HA 0.527 5.179 4.660 -0.015 0.000 0.340 479 W C 0.413 176.807 176.519 -0.208 0.000 1.060 479 W CA -1.348 55.666 57.345 -0.551 0.000 1.218 479 W CB 1.064 30.211 29.460 -0.521 0.000 1.410 479 W HN 0.649 nan 8.180 nan 0.000 0.528 480 G N 2.196 110.885 108.800 -0.184 0.000 2.807 480 G HA2 0.315 4.266 3.960 -0.015 0.000 0.207 480 G HA3 0.315 4.266 3.960 -0.015 0.000 0.207 480 G C 0.829 175.709 174.900 -0.035 0.000 1.151 480 G CA 0.575 45.832 45.100 0.262 0.000 0.800 480 G HN 1.598 nan 8.290 nan 0.000 0.523 481 G N 0.402 108.737 108.800 -0.775 0.000 2.539 481 G HA2 -0.258 3.693 3.960 -0.015 0.000 0.256 481 G HA3 -0.258 3.693 3.960 -0.015 0.000 0.256 481 G C -0.507 174.364 174.900 -0.049 0.000 1.233 481 G CA -0.001 44.681 45.100 -0.697 0.000 0.936 481 G HN 0.240 nan 8.290 nan 0.000 0.571 482 D N 1.699 122.084 120.400 -0.024 0.000 2.563 482 D HA 0.434 5.065 4.640 -0.015 0.000 0.222 482 D C 1.338 177.811 176.300 0.287 0.000 1.145 482 D CA 0.446 54.442 54.000 -0.006 0.000 1.001 482 D CB -0.739 40.036 40.800 -0.042 0.000 1.049 482 D HN 0.843 nan 8.370 nan 0.000 0.515 483 C N 0.172 119.680 119.300 0.347 0.000 2.480 483 C HA 0.559 5.010 4.460 -0.015 0.000 0.344 483 C C 0.462 175.716 174.990 0.439 0.000 1.380 483 C CA -0.891 58.388 59.018 0.434 0.000 2.386 483 C CB -0.171 27.885 27.740 0.527 0.000 2.210 483 C HN 0.408 nan 8.230 nan 0.000 0.640 484 Y N -1.054 119.452 120.300 0.344 0.000 2.528 484 Y HA 0.532 5.073 4.550 -0.014 0.000 0.335 484 Y C 0.770 176.871 175.900 0.335 0.000 1.093 484 Y CA -0.467 57.798 58.100 0.275 0.000 1.134 484 Y CB 1.607 40.194 38.460 0.212 0.000 1.253 484 Y HN 0.891 nan 8.280 nan 0.000 0.478 485 A N 2.997 126.007 122.820 0.317 0.000 3.077 485 A HA 0.259 4.570 4.320 -0.015 0.000 0.255 485 A C -0.732 177.028 177.584 0.292 0.000 1.728 485 A CA -0.073 52.129 52.037 0.275 0.000 1.383 485 A CB -1.773 17.286 19.000 0.098 0.000 1.097 485 A HN 0.759 nan 8.150 nan 0.000 0.634 486 N N -2.765 116.166 118.700 0.385 0.000 2.853 486 N HA 0.397 5.128 4.740 -0.015 0.000 0.258 486 N C -0.068 175.564 175.510 0.203 0.000 1.444 486 N CA -0.807 52.356 53.050 0.189 0.000 0.837 486 N CB 0.287 38.893 38.487 0.199 0.000 1.489 486 N HN -0.093 nan 8.380 nan 0.000 0.529 487 Y N -0.254 120.205 120.300 0.266 0.000 2.242 487 Y HA -0.002 4.540 4.550 -0.014 0.000 0.291 487 Y C 1.642 177.639 175.900 0.162 0.000 1.137 487 Y CA 1.280 59.524 58.100 0.240 0.000 1.181 487 Y CB -0.326 38.301 38.460 0.279 0.000 0.989 487 Y HN 0.655 nan 8.280 nan 0.000 0.527 488 E N -0.841 119.525 120.200 0.276 0.000 2.110 488 E HA -0.161 4.180 4.350 -0.015 0.000 0.193 488 E C 2.456 179.137 176.600 0.135 0.000 0.988 488 E CA 1.429 57.915 56.400 0.144 0.000 0.804 488 E CB -0.391 29.379 29.700 0.116 0.000 0.745 488 E HN 0.160 nan 8.360 nan 0.000 0.458 489 S N -0.560 115.262 115.700 0.203 0.000 2.414 489 S HA -0.005 4.457 4.470 -0.015 0.000 0.227 489 S C 1.822 176.547 174.600 0.209 0.000 1.022 489 S CA 0.709 59.063 58.200 0.256 0.000 0.958 489 S CB -0.123 63.325 63.200 0.412 0.000 0.797 489 S HN 0.279 nan 8.310 nan 0.000 0.493 490 M N 1.051 120.628 119.600 -0.038 0.000 2.117 490 M HA -0.078 4.393 4.480 -0.015 0.000 0.262 490 M C 2.028 178.334 176.300 0.010 0.000 1.065 490 M CA 1.784 56.776 55.300 -0.514 0.000 1.114 490 M CB -0.398 31.719 32.600 -0.806 0.000 1.361 490 M HN 0.418 nan 8.290 nan 0.000 0.408 491 A N 0.816 123.699 122.820 0.104 0.000 1.898 491 A HA -0.204 4.107 4.320 -0.015 0.000 0.216 491 A C 1.937 179.538 177.584 0.027 0.000 1.181 491 A CA 1.734 53.731 52.037 -0.068 0.000 0.620 491 A CB -0.956 17.765 19.000 -0.466 0.000 0.819 491 A HN 0.791 nan 8.150 nan 0.000 0.442 492 E N -0.128 120.135 120.200 0.105 0.000 2.150 492 E HA -0.134 4.207 4.350 -0.015 0.000 0.193 492 E C 1.870 178.696 176.600 0.376 0.000 0.985 492 E CA 1.502 58.023 56.400 0.202 0.000 0.814 492 E CB -0.411 29.403 29.700 0.190 0.000 0.752 492 E HN 0.422 nan 8.360 nan 0.000 0.466 493 S N 1.111 117.048 115.700 0.395 0.000 2.368 493 S HA -0.134 4.327 4.470 -0.015 0.000 0.225 493 S C 1.848 176.784 174.600 0.560 0.000 1.030 493 S CA 1.143 59.718 58.200 0.625 0.000 0.999 493 S CB -0.380 63.219 63.200 0.665 0.000 0.844 493 S HN 0.268 nan 8.310 nan 0.000 0.459 494 L N 2.423 123.865 121.223 0.365 0.000 2.042 494 L HA -0.074 4.257 4.340 -0.015 0.000 0.210 494 L C 2.187 179.025 176.870 -0.052 0.000 1.076 494 L CA 1.686 56.625 54.840 0.166 0.000 0.749 494 L CB -0.568 41.508 42.059 0.029 0.000 0.893 494 L HN 0.152 nan 8.230 nan 0.000 0.432 495 R N -0.615 119.893 120.500 0.014 0.000 2.091 495 R HA -0.125 4.206 4.340 -0.015 0.000 0.238 495 R C 2.194 178.376 176.300 -0.197 0.000 1.136 495 R CA 1.256 57.322 56.100 -0.056 0.000 0.959 495 R CB -1.057 29.249 30.300 0.009 0.000 0.856 495 R HN 0.588 nan 8.270 nan 0.000 0.437 496 G N 0.395 109.086 108.800 -0.181 0.000 2.402 496 G HA2 -0.203 3.748 3.960 -0.015 0.000 0.216 496 G HA3 -0.203 3.748 3.960 -0.015 0.000 0.216 496 G C 1.536 175.973 174.900 -0.771 0.000 1.162 496 G CA 0.793 45.590 45.100 -0.505 0.000 0.777 496 G HN 0.445 nan 8.290 nan 0.000 0.539 497 G N 1.158 109.206 108.800 -1.253 0.000 2.491 497 G HA2 -0.220 3.731 3.960 -0.015 0.000 0.218 497 G HA3 -0.220 3.731 3.960 -0.015 0.000 0.218 497 G C 1.824 176.164 174.900 -0.933 0.000 1.180 497 G CA 0.953 44.793 45.100 -2.101 0.000 0.774 497 G HN 0.413 nan 8.290 nan 0.000 0.562 498 L N 0.580 121.472 121.223 -0.552 0.000 1.990 498 L HA -0.161 4.170 4.340 -0.015 0.000 0.213 498 L C 3.247 179.947 176.870 -0.283 0.000 1.072 498 L CA 1.603 56.257 54.840 -0.310 0.000 0.755 498 L CB -0.679 41.279 42.059 -0.169 0.000 0.889 498 L HN 0.198 nan 8.230 nan 0.000 0.432 499 S N -0.151 115.365 115.700 -0.306 0.000 2.374 499 S HA -0.215 4.246 4.470 -0.015 0.000 0.227 499 S C 1.965 176.410 174.600 -0.259 0.000 1.037 499 S CA 1.513 59.562 58.200 -0.253 0.000 1.024 499 S CB -0.358 62.666 63.200 -0.292 0.000 0.861 499 S HN 0.338 nan 8.310 nan 0.000 0.456 500 I N 1.096 121.439 120.570 -0.379 0.000 2.394 500 I HA -0.134 4.027 4.170 -0.015 0.000 0.251 500 I C 2.231 178.287 176.117 -0.101 0.000 1.136 500 I CA 1.137 62.251 61.300 -0.310 0.000 1.425 500 I CB -0.504 37.211 38.000 -0.475 0.000 1.079 500 I HN 0.393 nan 8.210 nan 0.000 0.425 501 G N 0.527 109.234 108.800 -0.155 0.000 2.421 501 G HA2 -0.147 3.804 3.960 -0.015 0.000 0.217 501 G HA3 -0.147 3.804 3.960 -0.015 0.000 0.217 501 G C 1.515 176.377 174.900 -0.063 0.000 1.143 501 G CA 0.102 45.150 45.100 -0.086 0.000 0.784 501 G HN 0.367 nan 8.290 nan 0.000 0.541 502 L N 1.198 122.373 121.223 -0.080 0.000 2.633 502 L HA 0.070 4.402 4.340 -0.015 0.000 0.235 502 L C 1.701 178.601 176.870 0.050 0.000 1.163 502 L CA 0.440 55.255 54.840 -0.042 0.000 0.859 502 L CB 0.279 42.299 42.059 -0.064 0.000 0.973 502 L HN 0.090 nan 8.230 nan 0.000 0.451 503 S N -0.864 114.872 115.700 0.061 0.000 2.650 503 S HA 0.371 4.833 4.470 -0.015 0.000 0.240 503 S C 1.218 175.877 174.600 0.098 0.000 1.007 503 S CA 0.383 58.664 58.200 0.135 0.000 0.984 503 S CB 1.118 64.394 63.200 0.127 0.000 0.910 503 S HN 0.518 nan 8.310 nan 0.000 0.509 504 G N 1.286 110.103 108.800 0.029 0.000 2.179 504 G HA2 -0.216 3.736 3.960 -0.015 0.000 0.220 504 G HA3 -0.216 3.736 3.960 -0.015 0.000 0.220 504 G C -0.161 174.582 174.900 -0.263 0.000 0.990 504 G CA -0.675 44.377 45.100 -0.081 0.000 0.646 504 G HN 0.445 nan 8.290 nan 0.000 0.517 505 F N 1.072 120.928 119.950 -0.157 0.000 2.405 505 F HA 0.555 5.074 4.527 -0.014 0.000 0.355 505 F C 1.596 177.272 175.800 -0.207 0.000 1.121 505 F CA 0.202 58.100 58.000 -0.171 0.000 1.112 505 F CB 1.892 40.781 39.000 -0.186 0.000 1.126 505 F HN 0.008 nan 8.300 nan 0.000 0.481 506 G N 3.030 111.715 108.800 -0.191 0.000 2.603 506 G HA2 0.059 4.010 3.960 -0.015 0.000 0.214 506 G HA3 0.059 4.010 3.960 -0.015 0.000 0.214 506 G C -0.184 174.156 174.900 -0.934 0.000 1.140 506 G CA 0.320 45.030 45.100 -0.649 0.000 0.800 506 G HN 0.378 nan 8.290 nan 0.000 0.533 507 F N -1.670 118.366 119.950 0.145 0.000 2.547 507 F HA 0.637 5.155 4.527 -0.015 0.000 0.316 507 F C -0.988 174.920 175.800 0.180 0.000 1.121 507 F CA -1.612 56.468 58.000 0.133 0.000 0.911 507 F CB 1.878 40.855 39.000 -0.037 0.000 1.179 507 F HN 0.036 nan 8.300 nan 0.000 0.443 508 W N 2.653 124.015 121.300 0.103 0.000 3.425 508 W HA 0.671 5.323 4.660 -0.014 0.000 0.318 508 W C -1.345 175.178 176.519 0.007 0.000 1.201 508 W CA -0.644 56.709 57.345 0.015 0.000 1.212 508 W CB 2.046 31.522 29.460 0.026 0.000 1.355 508 W HN 0.537 nan 8.180 nan 0.000 0.515 509 S N 2.428 117.636 115.700 -0.821 0.000 2.751 509 S HA 0.854 5.316 4.470 -0.015 0.000 0.310 509 S C -1.355 172.570 174.600 -1.125 0.000 1.128 509 S CA -0.383 57.310 58.200 -0.846 0.000 0.931 509 S CB 0.992 63.809 63.200 -0.638 0.000 1.177 509 S HN 0.679 nan 8.310 nan 0.000 0.530 510 H N -1.074 117.621 119.070 -0.626 0.000 3.064 510 H HA 0.462 5.010 4.556 -0.015 0.000 0.352 510 H C -2.027 173.261 175.328 -0.067 0.000 1.260 510 H CA -0.986 54.890 56.048 -0.285 0.000 1.160 510 H CB -0.083 29.541 29.762 -0.230 0.000 1.879 510 H HN 0.276 nan 8.280 nan 0.000 0.544 511 D N 2.156 122.630 120.400 0.123 0.000 2.349 511 D HA 0.127 4.758 4.640 -0.015 0.000 0.266 511 D C 0.251 176.334 176.300 -0.361 0.000 1.293 511 D CA 0.199 54.167 54.000 -0.052 0.000 0.926 511 D CB 0.281 41.146 40.800 0.109 0.000 1.090 511 D HN 0.413 nan 8.370 nan 0.000 0.502 512 I N 1.418 121.727 120.570 -0.434 0.000 2.618 512 I HA 0.122 4.283 4.170 -0.015 0.000 0.284 512 I C 1.732 177.353 176.117 -0.828 0.000 1.146 512 I CA 0.530 61.412 61.300 -0.696 0.000 1.425 512 I CB 0.655 38.421 38.000 -0.389 0.000 1.383 512 I HN 0.646 nan 8.210 nan 0.000 0.562 513 G N 3.900 111.958 108.800 -1.236 0.000 2.199 513 G HA2 -0.083 3.868 3.960 -0.015 0.000 0.254 513 G HA3 -0.083 3.868 3.960 -0.015 0.000 0.254 513 G C 0.610 175.050 174.900 -0.768 0.000 0.982 513 G CA -0.027 44.678 45.100 -0.658 0.000 0.632 513 G HN 1.640 nan 8.290 nan 0.000 0.529 514 G N -1.705 106.299 108.800 -1.328 0.000 2.767 514 G HA2 0.149 4.101 3.960 -0.015 0.000 0.686 514 G HA3 0.149 4.101 3.960 -0.015 0.000 0.686 514 G C 0.240 175.011 174.900 -0.215 0.000 1.213 514 G CA 0.218 44.910 45.100 -0.680 0.000 0.803 514 G HN 1.517 nan 8.290 nan 0.000 0.603 515 F N 1.297 121.148 119.950 -0.164 0.000 2.053 515 F HA 0.232 4.751 4.527 -0.014 0.000 0.292 515 F C 1.469 177.163 175.800 -0.176 0.000 1.125 515 F CA 1.708 59.627 58.000 -0.136 0.000 1.193 515 F CB 0.139 39.134 39.000 -0.008 0.000 0.996 515 F HN 0.524 nan 8.300 nan 0.000 0.470 516 E N 1.744 121.674 120.200 -0.450 0.000 2.313 516 E HA 0.204 4.545 4.350 -0.015 0.000 0.272 516 E C -0.608 175.741 176.600 -0.418 0.000 1.038 516 E CA -0.227 55.760 56.400 -0.690 0.000 0.863 516 E CB 0.837 29.878 29.700 -1.098 0.000 1.060 516 E HN 0.501 nan 8.360 nan 0.000 0.402 517 N N -0.121 118.408 118.700 -0.285 0.000 5.488 517 N HA -0.145 4.586 4.740 -0.015 0.000 0.373 517 N C -1.074 174.377 175.510 -0.098 0.000 1.258 517 N CA 0.565 53.552 53.050 -0.106 0.000 2.561 517 N CB -0.375 38.139 38.487 0.046 0.000 0.565 517 N HN 0.343 nan 8.380 nan 0.000 0.714 518 T N 0.861 115.382 114.554 -0.054 0.000 2.733 518 T HA 0.541 4.883 4.350 -0.015 0.000 0.294 518 T C 0.362 175.090 174.700 0.046 0.000 0.956 518 T CA -0.220 61.862 62.100 -0.030 0.000 0.987 518 T CB 1.049 69.855 68.868 -0.103 0.000 0.920 518 T HN 0.619 nan 8.240 nan 0.000 0.470 519 A N 5.951 128.852 122.820 0.136 0.000 2.445 519 A HA 0.513 4.824 4.320 -0.015 0.000 0.242 519 A C -2.083 175.568 177.584 0.111 0.000 1.075 519 A CA -1.158 50.949 52.037 0.117 0.000 0.777 519 A CB -0.355 18.719 19.000 0.124 0.000 1.013 519 A HN 0.488 nan 8.150 nan 0.000 0.493 520 P HA 0.211 nan 4.420 nan 0.000 0.269 520 P C 0.880 178.134 177.300 -0.078 0.000 1.215 520 P CA 0.527 63.578 63.100 -0.080 0.000 0.780 520 P CB 0.643 32.167 31.700 -0.295 0.000 0.898 521 A N 2.476 125.324 122.820 0.046 0.000 1.908 521 A HA -0.270 4.041 4.320 -0.015 0.000 0.218 521 A C 1.932 179.498 177.584 -0.030 0.000 1.181 521 A CA 2.370 54.449 52.037 0.069 0.000 0.627 521 A CB -1.994 17.047 19.000 0.070 0.000 0.818 521 A HN 0.843 nan 8.150 nan 0.000 0.445 522 H N -1.554 117.540 119.070 0.039 0.000 2.352 522 H HA -0.065 4.483 4.556 -0.014 0.000 0.299 522 H C 1.624 177.112 175.328 0.266 0.000 1.097 522 H CA 1.556 57.671 56.048 0.112 0.000 1.311 522 H CB -0.900 29.124 29.762 0.436 0.000 1.377 522 H HN 0.133 nan 8.280 nan 0.000 0.504 523 V N 0.602 120.417 119.914 -0.166 0.000 2.307 523 V HA -0.275 3.836 4.120 -0.015 0.000 0.245 523 V C 2.346 178.534 176.094 0.158 0.000 1.045 523 V CA 2.021 64.253 62.300 -0.113 0.000 1.024 523 V CB -0.932 30.661 31.823 -0.385 0.000 0.651 523 V HN 0.487 nan 8.190 nan 0.000 0.449 524 Y N 1.202 121.445 120.300 -0.096 0.000 2.165 524 Y HA -0.319 4.223 4.550 -0.014 0.000 0.286 524 Y C 2.492 178.357 175.900 -0.058 0.000 1.155 524 Y CA 2.207 60.178 58.100 -0.215 0.000 1.164 524 Y CB -0.166 37.843 38.460 -0.751 0.000 0.978 524 Y HN 0.145 nan 8.280 nan 0.000 0.513 525 K N -0.175 120.264 120.400 0.065 0.000 2.002 525 K HA -0.165 4.146 4.320 -0.015 0.000 0.209 525 K C 2.144 178.851 176.600 0.178 0.000 1.048 525 K CA 1.634 57.963 56.287 0.070 0.000 0.930 525 K CB -0.142 32.310 32.500 -0.079 0.000 0.714 525 K HN 0.094 nan 8.250 nan 0.000 0.438 526 R N -0.073 120.627 120.500 0.334 0.000 2.103 526 R HA -0.182 4.149 4.340 -0.015 0.000 0.242 526 R C 2.035 178.470 176.300 0.225 0.000 1.142 526 R CA 1.187 57.472 56.100 0.308 0.000 0.960 526 R CB -0.758 29.810 30.300 0.448 0.000 0.858 526 R HN 0.469 nan 8.270 nan 0.000 0.439 527 W N 0.790 122.135 121.300 0.074 0.000 2.436 527 W HA -0.106 4.546 4.660 -0.013 0.000 0.284 527 W C 2.069 178.564 176.519 -0.040 0.000 1.225 527 W CA -0.087 57.323 57.345 0.108 0.000 1.271 527 W CB -0.618 28.884 29.460 0.069 0.000 1.114 527 W HN 0.048 nan 8.180 nan 0.000 0.559 528 C N 0.457 119.757 119.300 0.000 0.000 2.398 528 C HA -0.203 4.248 4.460 -0.015 0.000 0.276 528 C C 3.094 178.023 174.990 -0.101 0.000 1.222 528 C CA 2.033 60.973 59.018 -0.129 0.000 1.746 528 C CB -1.540 26.078 27.740 -0.204 0.000 2.039 528 C HN 0.369 nan 8.230 nan 0.000 0.470 529 A N -0.173 122.477 122.820 -0.283 0.000 1.908 529 A HA -0.209 4.102 4.320 -0.015 0.000 0.218 529 A C 1.958 179.453 177.584 -0.149 0.000 1.181 529 A CA 1.914 53.504 52.037 -0.744 0.000 0.627 529 A CB -0.831 17.625 19.000 -0.907 0.000 0.818 529 A HN 0.559 nan 8.150 nan 0.000 0.445 530 F N 1.318 121.228 119.950 -0.066 0.000 2.102 530 F HA -0.008 4.510 4.527 -0.015 0.000 0.298 530 F C 2.262 178.251 175.800 0.315 0.000 1.105 530 F CA 1.378 59.459 58.000 0.134 0.000 1.239 530 F CB -1.060 37.973 39.000 0.055 0.000 0.991 530 F HN 0.165 nan 8.300 nan 0.000 0.474 531 G N 0.835 109.702 108.800 0.113 0.000 2.422 531 G HA2 -0.179 3.772 3.960 -0.015 0.000 0.218 531 G HA3 -0.179 3.772 3.960 -0.015 0.000 0.218 531 G C 1.543 176.426 174.900 -0.029 0.000 1.146 531 G CA 0.745 45.781 45.100 -0.107 0.000 0.769 531 G HN 0.352 nan 8.290 nan 0.000 0.547 532 L N -0.080 121.184 121.223 0.068 0.000 2.492 532 L HA 0.241 4.572 4.340 -0.015 0.000 0.223 532 L C 1.496 178.493 176.870 0.212 0.000 1.132 532 L CA 0.603 55.530 54.840 0.145 0.000 0.850 532 L CB -0.327 41.859 42.059 0.211 0.000 0.966 532 L HN 0.138 nan 8.230 nan 0.000 0.454 533 L N -1.019 120.353 121.223 0.248 0.000 2.848 533 L HA 0.242 4.573 4.340 -0.015 0.000 0.240 533 L C 0.624 177.758 176.870 0.441 0.000 1.232 533 L CA 0.237 55.285 54.840 0.346 0.000 1.031 533 L CB -0.516 41.759 42.059 0.360 0.000 1.338 533 L HN 0.008 nan 8.230 nan 0.000 0.509 534 S N -1.695 114.187 115.700 0.303 0.000 2.664 534 S HA 0.323 4.785 4.470 -0.015 0.000 0.304 534 S C 1.278 176.024 174.600 0.243 0.000 1.099 534 S CA 0.059 58.428 58.200 0.281 0.000 1.003 534 S CB 1.921 65.222 63.200 0.168 0.000 1.092 534 S HN 0.370 nan 8.310 nan 0.000 0.525 535 S N 0.773 116.646 115.700 0.288 0.000 2.370 535 S HA -0.140 4.322 4.470 -0.015 0.000 0.226 535 S C 0.174 174.740 174.600 -0.056 0.000 1.033 535 S CA 1.252 59.645 58.200 0.322 0.000 1.011 535 S CB -0.494 63.035 63.200 0.549 0.000 0.852 535 S HN 0.756 nan 8.310 nan 0.000 0.457 536 H N 0.158 119.190 119.070 -0.063 0.000 2.538 536 H HA 0.701 5.248 4.556 -0.015 0.000 0.353 536 H C -1.067 174.123 175.328 -0.229 0.000 1.109 536 H CA -0.458 55.460 56.048 -0.216 0.000 1.192 536 H CB 2.025 31.534 29.762 -0.423 0.000 1.555 536 H HN 0.144 nan 8.280 nan 0.000 0.518 537 S N 2.969 118.623 115.700 -0.076 0.000 2.640 537 S HA 0.469 4.930 4.470 -0.015 0.000 0.320 537 S C -0.418 174.153 174.600 -0.049 0.000 1.097 537 S CA -0.835 57.315 58.200 -0.084 0.000 1.092 537 S CB 0.975 64.199 63.200 0.040 0.000 0.988 537 S HN 0.513 nan 8.310 nan 0.000 0.470 538 R N 2.988 123.378 120.500 -0.183 0.000 2.532 538 R HA 0.510 4.842 4.340 -0.015 0.000 0.297 538 R C -1.569 174.625 176.300 -0.176 0.000 0.984 538 R CA -0.669 55.319 56.100 -0.185 0.000 0.884 538 R CB 0.867 30.909 30.300 -0.429 0.000 1.182 538 R HN 0.564 nan 8.270 nan 0.000 0.442 539 L N 4.637 125.799 121.223 -0.101 0.000 2.261 539 L HA 0.379 4.710 4.340 -0.015 0.000 0.289 539 L C -0.580 176.269 176.870 -0.036 0.000 1.059 539 L CA -0.371 54.418 54.840 -0.086 0.000 0.816 539 L CB 0.756 42.788 42.059 -0.045 0.000 1.191 539 L HN 0.609 nan 8.230 nan 0.000 0.431 540 H N 2.316 121.297 119.070 -0.148 0.000 2.974 540 H HA 0.739 5.286 4.556 -0.014 0.000 0.366 540 H C -0.743 174.603 175.328 0.029 0.000 1.155 540 H CA -0.468 55.531 56.048 -0.081 0.000 1.186 540 H CB 2.048 31.713 29.762 -0.161 0.000 1.799 540 H HN 0.543 nan 8.280 nan 0.000 0.541 541 G N 1.239 109.750 108.800 -0.481 0.000 2.642 541 G HA2 0.375 4.326 3.960 -0.015 0.000 0.293 541 G HA3 0.375 4.326 3.960 -0.015 0.000 0.293 541 G C -0.098 174.468 174.900 -0.556 0.000 1.341 541 G CA -0.039 44.815 45.100 -0.409 0.000 0.916 541 G HN 0.623 nan 8.290 nan 0.000 0.474 542 S N -0.499 114.691 115.700 -0.850 0.000 2.327 542 S HA 0.053 4.515 4.470 -0.015 0.000 0.213 542 S C 1.731 176.173 174.600 -0.263 0.000 1.032 542 S CA 1.306 59.057 58.200 -0.747 0.000 0.960 542 S CB -0.158 62.262 63.200 -1.299 0.000 0.900 542 S HN 0.469 nan 8.310 nan 0.000 0.469 543 K N 0.695 120.904 120.400 -0.318 0.000 2.402 543 K HA 0.279 4.590 4.320 -0.015 0.000 0.204 543 K C -0.249 176.161 176.600 -0.316 0.000 1.056 543 K CA -0.078 56.057 56.287 -0.255 0.000 1.069 543 K CB 1.222 33.599 32.500 -0.206 0.000 0.888 543 K HN 0.396 nan 8.250 nan 0.000 0.546 544 S N -0.684 114.812 115.700 -0.341 0.000 2.599 544 S HA 0.478 4.939 4.470 -0.015 0.000 0.287 544 S C -0.742 173.643 174.600 -0.359 0.000 1.105 544 S CA -1.017 56.941 58.200 -0.404 0.000 0.899 544 S CB 0.666 63.687 63.200 -0.299 0.000 1.100 544 S HN -0.025 nan 8.310 nan 0.000 0.482 545 Y N 0.707 120.919 120.300 -0.146 0.000 2.314 545 Y HA 0.466 5.006 4.550 -0.017 0.000 0.334 545 Y C 1.762 177.528 175.900 -0.224 0.000 1.266 545 Y CA -0.843 57.143 58.100 -0.190 0.000 1.391 545 Y CB 0.547 38.863 38.460 -0.240 0.000 1.306 545 Y HN 0.553 nan 8.280 nan 0.000 0.558 546 R N 0.845 121.316 120.500 -0.048 0.000 2.472 546 R HA 0.158 4.490 4.340 -0.015 0.000 0.279 546 R C -0.588 175.653 176.300 -0.097 0.000 0.953 546 R CA -0.108 56.008 56.100 0.026 0.000 1.088 546 R CB -0.431 29.886 30.300 0.027 0.000 1.197 546 R HN 0.551 nan 8.270 nan 0.000 0.536 547 V N 0.480 120.106 119.914 -0.479 0.000 2.788 547 V HA 0.080 4.191 4.120 -0.015 0.000 0.307 547 V C -1.283 174.495 176.094 -0.526 0.000 1.069 547 V CA -1.084 60.748 62.300 -0.779 0.000 1.173 547 V CB 0.538 31.251 31.823 -1.850 0.000 0.925 547 V HN -0.039 nan 8.190 nan 0.000 0.492 548 P HA -0.109 nan 4.420 nan 0.000 0.218 548 P C 1.285 178.649 177.300 0.107 0.000 1.148 548 P CA 1.988 65.141 63.100 0.089 0.000 0.822 548 P CB -0.190 31.695 31.700 0.307 0.000 0.784 549 W N -0.410 120.906 121.300 0.027 0.000 2.825 549 W HA 0.389 5.040 4.660 -0.016 0.000 0.243 549 W C 1.598 178.085 176.519 -0.053 0.000 1.293 549 W CA 0.429 57.775 57.345 0.002 0.000 1.403 549 W CB -1.479 27.984 29.460 0.004 0.000 1.134 549 W HN -0.129 nan 8.180 nan 0.000 0.666 550 A N -0.328 122.296 122.820 -0.327 0.000 2.167 550 A HA 0.044 4.355 4.320 -0.015 0.000 0.214 550 A C 1.255 178.480 177.584 -0.598 0.000 1.151 550 A CA 0.801 52.576 52.037 -0.437 0.000 0.735 550 A CB -0.664 17.986 19.000 -0.584 0.000 0.802 550 A HN 0.486 nan 8.150 nan 0.000 0.467 551 Y N 0.238 120.368 120.300 -0.284 0.000 2.351 551 Y HA 0.287 4.829 4.550 -0.013 0.000 0.291 551 Y C 0.552 176.389 175.900 -0.104 0.000 1.153 551 Y CA 0.419 58.363 58.100 -0.260 0.000 1.193 551 Y CB 0.363 38.531 38.460 -0.487 0.000 1.187 551 Y HN 0.516 nan 8.280 nan 0.000 0.524 552 D N -3.148 117.319 120.400 0.112 0.000 2.808 552 D HA 0.028 4.660 4.640 -0.015 0.000 0.294 552 D C -0.567 175.814 176.300 0.134 0.000 1.278 552 D CA -0.394 53.668 54.000 0.103 0.000 0.756 552 D CB 0.086 40.935 40.800 0.082 0.000 1.271 552 D HN -0.114 nan 8.370 nan 0.000 0.425 553 D N -0.198 120.274 120.400 0.120 0.000 2.183 553 D HA -0.097 4.535 4.640 -0.015 0.000 0.203 553 D C 1.410 177.791 176.300 0.134 0.000 0.969 553 D CA 1.036 55.113 54.000 0.129 0.000 0.842 553 D CB 0.140 40.999 40.800 0.099 0.000 0.957 553 D HN 0.674 nan 8.370 nan 0.000 0.484 554 E N 0.932 121.204 120.200 0.119 0.000 2.153 554 E HA -0.141 4.200 4.350 -0.015 0.000 0.194 554 E C 1.737 178.426 176.600 0.149 0.000 0.988 554 E CA 0.878 57.355 56.400 0.128 0.000 0.811 554 E CB 0.210 29.980 29.700 0.118 0.000 0.746 554 E HN -0.006 nan 8.360 nan 0.000 0.466 555 S N 0.045 115.835 115.700 0.151 0.000 2.370 555 S HA -0.205 4.256 4.470 -0.015 0.000 0.226 555 S C 2.120 176.882 174.600 0.270 0.000 1.033 555 S CA 1.206 59.543 58.200 0.227 0.000 1.011 555 S CB -0.454 62.883 63.200 0.228 0.000 0.852 555 S HN 0.484 nan 8.310 nan 0.000 0.457 556 C N 2.138 121.585 119.300 0.246 0.000 2.413 556 C HA -0.097 4.355 4.460 -0.015 0.000 0.276 556 C C 2.417 177.535 174.990 0.213 0.000 1.248 556 C CA 0.444 59.610 59.018 0.247 0.000 1.742 556 C CB -1.329 26.548 27.740 0.228 0.000 2.017 556 C HN 0.546 nan 8.230 nan 0.000 0.481 557 D N 0.702 121.216 120.400 0.190 0.000 2.178 557 D HA -0.093 4.538 4.640 -0.015 0.000 0.201 557 D C 2.147 178.588 176.300 0.236 0.000 0.980 557 D CA 1.015 55.125 54.000 0.183 0.000 0.842 557 D CB -0.343 40.550 40.800 0.155 0.000 0.948 557 D HN 0.341 nan 8.370 nan 0.000 0.472 558 V N 0.476 120.555 119.914 0.275 0.000 2.323 558 V HA -0.160 3.951 4.120 -0.015 0.000 0.244 558 V C 2.667 179.026 176.094 0.443 0.000 1.041 558 V CA 0.805 63.339 62.300 0.390 0.000 1.025 558 V CB -0.375 31.667 31.823 0.364 0.000 0.656 558 V HN 0.041 nan 8.190 nan 0.000 0.451 559 V N 0.285 120.389 119.914 0.318 0.000 2.332 559 V HA -0.278 3.833 4.120 -0.015 0.000 0.248 559 V C 2.605 178.849 176.094 0.251 0.000 1.055 559 V CA 2.456 64.918 62.300 0.270 0.000 1.038 559 V CB -0.785 31.175 31.823 0.229 0.000 0.651 559 V HN 0.502 nan 8.190 nan 0.000 0.450 560 R N -0.709 119.922 120.500 0.219 0.000 2.066 560 R HA -0.191 4.140 4.340 -0.015 0.000 0.232 560 R C 2.347 178.708 176.300 0.101 0.000 1.131 560 R CA 2.116 58.305 56.100 0.148 0.000 0.955 560 R CB -0.474 29.904 30.300 0.131 0.000 0.851 560 R HN 0.465 nan 8.270 nan 0.000 0.432 561 F N 0.468 120.394 119.950 -0.041 0.000 2.095 561 F HA -0.207 4.311 4.527 -0.015 0.000 0.298 561 F C 1.593 177.186 175.800 -0.345 0.000 1.104 561 F CA 1.737 59.576 58.000 -0.268 0.000 1.232 561 F CB -0.262 38.471 39.000 -0.445 0.000 0.987 561 F HN -0.016 nan 8.300 nan 0.000 0.475 562 F N -0.370 119.663 119.950 0.140 0.000 2.416 562 F HA -0.036 4.482 4.527 -0.015 0.000 0.296 562 F C 2.429 178.234 175.800 0.009 0.000 1.099 562 F CA 1.296 59.334 58.000 0.063 0.000 1.427 562 F CB -1.124 37.995 39.000 0.197 0.000 1.079 562 F HN -0.177 nan 8.300 nan 0.000 0.536 563 T N -0.488 114.180 114.554 0.189 0.000 2.821 563 T HA -0.190 4.152 4.350 -0.015 0.000 0.267 563 T C 1.920 176.662 174.700 0.071 0.000 1.046 563 T CA 1.316 63.511 62.100 0.159 0.000 1.139 563 T CB -0.240 68.734 68.868 0.177 0.000 0.871 563 T HN 0.310 nan 8.240 nan 0.000 0.454 564 Q N 0.193 119.962 119.800 -0.052 0.000 2.084 564 Q HA -0.048 4.283 4.340 -0.015 0.000 0.202 564 Q C 2.359 178.252 176.000 -0.178 0.000 0.978 564 Q CA 1.040 56.765 55.803 -0.131 0.000 0.844 564 Q CB -0.359 28.238 28.738 -0.234 0.000 0.898 564 Q HN 0.321 nan 8.270 nan 0.000 0.426 565 L N 1.403 122.438 121.223 -0.312 0.000 2.017 565 L HA -0.189 4.142 4.340 -0.015 0.000 0.208 565 L C 2.203 179.046 176.870 -0.046 0.000 1.073 565 L CA 1.908 56.580 54.840 -0.281 0.000 0.745 565 L CB -0.429 41.369 42.059 -0.436 0.000 0.894 565 L HN 0.021 nan 8.230 nan 0.000 0.432 566 K N -1.328 119.100 120.400 0.048 0.000 2.057 566 K HA -0.183 4.128 4.320 -0.015 0.000 0.207 566 K C 2.127 178.796 176.600 0.116 0.000 1.049 566 K CA 1.769 58.129 56.287 0.121 0.000 0.931 566 K CB -0.314 32.290 32.500 0.173 0.000 0.714 566 K HN 0.515 nan 8.250 nan 0.000 0.440 567 C N 0.626 119.996 119.300 0.116 0.000 2.440 567 C HA 0.017 4.468 4.460 -0.015 0.000 0.278 567 C C 2.461 177.598 174.990 0.246 0.000 1.295 567 C CA 0.497 59.627 59.018 0.186 0.000 1.738 567 C CB -0.790 27.041 27.740 0.151 0.000 1.987 567 C HN 0.472 nan 8.230 nan 0.000 0.492 568 R N 0.038 120.610 120.500 0.120 0.000 2.235 568 R HA 0.055 4.386 4.340 -0.015 0.000 0.213 568 R C 1.804 178.172 176.300 0.112 0.000 1.059 568 R CA 0.853 57.028 56.100 0.124 0.000 0.997 568 R CB -0.224 30.083 30.300 0.012 0.000 0.884 568 R HN 0.568 nan 8.270 nan 0.000 0.462 569 M N -0.163 119.485 119.600 0.081 0.000 2.495 569 M HA 0.061 4.532 4.480 -0.015 0.000 0.237 569 M C 1.488 177.787 176.300 -0.001 0.000 1.131 569 M CA 0.277 55.621 55.300 0.074 0.000 1.032 569 M CB 0.289 32.959 32.600 0.117 0.000 1.513 569 M HN 0.009 nan 8.290 nan 0.000 0.488 570 M N 0.228 119.772 119.600 -0.093 0.000 2.202 570 M HA -0.105 4.367 4.480 -0.015 0.000 0.262 570 M C -0.819 174.955 176.300 -0.876 0.000 1.063 570 M CA 1.732 56.772 55.300 -0.433 0.000 1.097 570 M CB -2.110 30.269 32.600 -0.369 0.000 1.382 570 M HN 0.018 nan 8.290 nan 0.000 0.413 571 P HA -0.160 nan 4.420 nan 0.000 0.217 571 P C 1.575 178.706 177.300 -0.283 0.000 1.151 571 P CA 1.146 63.884 63.100 -0.604 0.000 0.828 571 P CB -0.337 31.236 31.700 -0.211 0.000 0.788 572 Y N 0.343 120.508 120.300 -0.225 0.000 2.133 572 Y HA -0.148 4.393 4.550 -0.015 0.000 0.287 572 Y C 1.985 177.791 175.900 -0.157 0.000 1.134 572 Y CA 1.316 59.343 58.100 -0.122 0.000 1.133 572 Y CB -1.182 37.249 38.460 -0.048 0.000 0.987 572 Y HN -0.278 nan 8.280 nan 0.000 0.502 573 L N -0.312 120.741 121.223 -0.284 0.000 2.013 573 L HA -0.269 4.062 4.340 -0.015 0.000 0.212 573 L C 2.308 178.914 176.870 -0.440 0.000 1.073 573 L CA 1.911 56.540 54.840 -0.352 0.000 0.753 573 L CB -1.839 40.121 42.059 -0.166 0.000 0.890 573 L HN 0.414 nan 8.230 nan 0.000 0.432 574 Y N -0.171 119.710 120.300 -0.699 0.000 2.373 574 Y HA -0.205 4.336 4.550 -0.015 0.000 0.293 574 Y C 2.736 178.398 175.900 -0.397 0.000 1.129 574 Y CA 1.230 58.918 58.100 -0.687 0.000 1.226 574 Y CB -0.066 37.818 38.460 -0.960 0.000 1.000 574 Y HN 0.089 nan 8.280 nan 0.000 0.549 575 R N 0.893 121.205 120.500 -0.314 0.000 2.081 575 R HA -0.128 4.204 4.340 -0.015 0.000 0.235 575 R C 1.851 177.985 176.300 -0.276 0.000 1.131 575 R CA 1.897 57.855 56.100 -0.237 0.000 0.960 575 R CB -0.492 29.707 30.300 -0.168 0.000 0.856 575 R HN 0.171 nan 8.270 nan 0.000 0.436 576 E N 0.320 120.300 120.200 -0.366 0.000 2.153 576 E HA -0.118 4.223 4.350 -0.015 0.000 0.194 576 E C 1.849 178.338 176.600 -0.185 0.000 0.988 576 E CA 1.404 57.618 56.400 -0.309 0.000 0.811 576 E CB -0.475 28.970 29.700 -0.426 0.000 0.746 576 E HN 0.460 nan 8.360 nan 0.000 0.466 577 A N 1.382 124.092 122.820 -0.183 0.000 1.902 577 A HA -0.070 4.242 4.320 -0.015 0.000 0.217 577 A C 2.418 179.980 177.584 -0.035 0.000 1.181 577 A CA 2.012 54.069 52.037 0.033 0.000 0.623 577 A CB -0.582 18.357 19.000 -0.101 0.000 0.818 577 A HN 0.267 nan 8.150 nan 0.000 0.443 578 A N -0.613 122.065 122.820 -0.237 0.000 1.972 578 A HA -0.153 4.159 4.320 -0.015 0.000 0.219 578 A C 2.229 179.759 177.584 -0.089 0.000 1.169 578 A CA 1.589 53.533 52.037 -0.155 0.000 0.635 578 A CB -0.475 18.430 19.000 -0.157 0.000 0.810 578 A HN 0.532 nan 8.150 nan 0.000 0.446 579 R N -0.523 119.912 120.500 -0.109 0.000 2.096 579 R HA -0.091 4.240 4.340 -0.015 0.000 0.235 579 R C 2.356 178.595 176.300 -0.102 0.000 1.127 579 R CA 1.216 57.255 56.100 -0.101 0.000 0.968 579 R CB -0.351 29.879 30.300 -0.116 0.000 0.861 579 R HN 0.479 nan 8.270 nan 0.000 0.440 580 A N 1.336 124.087 122.820 -0.116 0.000 1.908 580 A HA -0.238 4.073 4.320 -0.015 0.000 0.218 580 A C 1.953 179.484 177.584 -0.088 0.000 1.181 580 A CA 1.755 53.690 52.037 -0.170 0.000 0.627 580 A CB -0.911 17.846 19.000 -0.405 0.000 0.818 580 A HN 0.547 nan 8.150 nan 0.000 0.445 581 N N 0.093 118.796 118.700 0.006 0.000 2.188 581 N HA -0.088 4.643 4.740 -0.015 0.000 0.184 581 N C 1.808 177.292 175.510 -0.043 0.000 1.018 581 N CA 1.391 54.446 53.050 0.009 0.000 0.858 581 N CB -0.159 38.358 38.487 0.049 0.000 0.989 581 N HN 0.385 nan 8.380 nan 0.000 0.426 582 A N 0.678 123.466 122.820 -0.052 0.000 1.911 582 A HA 0.124 4.435 4.320 -0.015 0.000 0.212 582 A C 2.019 179.559 177.584 -0.073 0.000 1.189 582 A CA 0.553 52.555 52.037 -0.058 0.000 0.639 582 A CB 0.125 19.093 19.000 -0.053 0.000 0.839 582 A HN 0.232 nan 8.150 nan 0.000 0.449 583 R N -1.970 118.479 120.500 -0.084 0.000 2.509 583 R HA 0.222 4.553 4.340 -0.015 0.000 0.297 583 R C 0.931 177.168 176.300 -0.105 0.000 0.951 583 R CA 0.623 56.669 56.100 -0.089 0.000 1.103 583 R CB 0.588 30.840 30.300 -0.081 0.000 1.283 583 R HN 0.687 nan 8.270 nan 0.000 0.534 584 G N 1.975 110.700 108.800 -0.126 0.000 2.153 584 G HA2 -0.266 3.686 3.960 -0.015 0.000 0.252 584 G HA3 -0.266 3.686 3.960 -0.015 0.000 0.252 584 G C 0.087 174.900 174.900 -0.145 0.000 0.994 584 G CA 0.732 45.741 45.100 -0.151 0.000 0.698 584 G HN 0.235 nan 8.290 nan 0.000 0.521 585 T N 3.522 117.993 114.554 -0.139 0.000 2.723 585 T HA 0.490 4.831 4.350 -0.015 0.000 0.297 585 T C -1.625 172.972 174.700 -0.172 0.000 0.925 585 T CA -0.596 61.425 62.100 -0.132 0.000 1.030 585 T CB 1.973 70.774 68.868 -0.112 0.000 0.905 585 T HN 0.285 nan 8.240 nan 0.000 0.502 586 P HA 0.190 nan 4.420 nan 0.000 0.272 586 P C 0.836 178.039 177.300 -0.162 0.000 1.230 586 P CA -0.417 62.550 63.100 -0.221 0.000 0.788 586 P CB 0.879 32.486 31.700 -0.155 0.000 0.949 587 M N 0.309 119.803 119.600 -0.176 0.000 2.132 587 M HA -0.025 4.446 4.480 -0.015 0.000 0.263 587 M C 1.433 177.780 176.300 0.078 0.000 1.065 587 M CA 1.676 56.961 55.300 -0.025 0.000 1.122 587 M CB -0.078 32.565 32.600 0.072 0.000 1.365 587 M HN 0.364 nan 8.290 nan 0.000 0.411 588 M N 1.419 121.054 119.600 0.059 0.000 2.094 588 M HA 0.237 4.709 4.480 -0.015 0.000 0.348 588 M C -1.006 175.302 176.300 0.014 0.000 1.267 588 M CA 0.029 55.362 55.300 0.055 0.000 1.125 588 M CB 0.358 32.914 32.600 -0.074 0.000 1.527 588 M HN 0.007 nan 8.290 nan 0.000 0.447 589 R N 3.728 124.296 120.500 0.114 0.000 2.445 589 R HA 0.648 4.979 4.340 -0.015 0.000 0.308 589 R C -0.256 176.105 176.300 0.103 0.000 0.961 589 R CA -0.647 55.491 56.100 0.063 0.000 0.862 589 R CB 1.593 31.927 30.300 0.056 0.000 1.144 589 R HN 0.810 nan 8.270 nan 0.000 0.447 590 A N 3.471 126.300 122.820 0.014 0.000 2.520 590 A HA 0.015 4.326 4.320 -0.015 0.000 0.235 590 A C 1.240 178.854 177.584 0.049 0.000 1.065 590 A CA -0.126 51.919 52.037 0.013 0.000 0.764 590 A CB 0.200 19.147 19.000 -0.088 0.000 1.002 590 A HN 0.774 nan 8.150 nan 0.000 0.502 591 M N 1.769 121.420 119.600 0.086 0.000 2.108 591 M HA -0.205 4.266 4.480 -0.015 0.000 0.261 591 M C 2.100 178.476 176.300 0.127 0.000 1.066 591 M CA 2.418 57.810 55.300 0.154 0.000 1.107 591 M CB -1.482 31.178 32.600 0.100 0.000 1.356 591 M HN 1.009 nan 8.290 nan 0.000 0.406 592 M N -0.934 118.650 119.600 -0.025 0.000 2.267 592 M HA -0.165 4.307 4.480 -0.015 0.000 0.263 592 M C 2.060 178.279 176.300 -0.135 0.000 1.063 592 M CA 1.842 57.069 55.300 -0.120 0.000 1.090 592 M CB -1.018 31.368 32.600 -0.357 0.000 1.392 592 M HN 0.265 nan 8.290 nan 0.000 0.422 593 M N -0.372 119.145 119.600 -0.139 0.000 2.200 593 M HA -0.098 4.373 4.480 -0.015 0.000 0.265 593 M C 1.876 178.111 176.300 -0.108 0.000 1.066 593 M CA 1.915 57.131 55.300 -0.140 0.000 1.127 593 M CB -0.035 32.485 32.600 -0.134 0.000 1.379 593 M HN 0.448 nan 8.290 nan 0.000 0.420 594 E N 0.002 120.162 120.200 -0.068 0.000 2.230 594 E HA -0.005 4.336 4.350 -0.015 0.000 0.192 594 E C -0.405 175.864 176.600 -0.552 0.000 0.987 594 E CA 0.925 57.170 56.400 -0.258 0.000 0.841 594 E CB 0.203 29.798 29.700 -0.174 0.000 0.783 594 E HN 0.505 nan 8.360 nan 0.000 0.481 595 F N 0.521 120.481 119.950 0.016 0.000 2.523 595 F HA 0.332 4.850 4.527 -0.015 0.000 0.322 595 F C -1.802 173.997 175.800 -0.001 0.000 1.361 595 F CA -1.912 56.109 58.000 0.035 0.000 1.151 595 F CB 1.640 40.694 39.000 0.090 0.000 1.391 595 F HN -0.023 nan 8.300 nan 0.000 0.566 596 P HA -0.112 nan 4.420 nan 0.000 0.223 596 P C 0.657 177.979 177.300 0.037 0.000 1.151 596 P CA 1.312 64.417 63.100 0.008 0.000 0.787 596 P CB 0.448 32.125 31.700 -0.039 0.000 0.788 597 D N -0.547 119.897 120.400 0.073 0.000 2.355 597 D HA -0.029 4.602 4.640 -0.015 0.000 0.218 597 D C 0.309 176.662 176.300 0.089 0.000 1.004 597 D CA 0.775 54.819 54.000 0.073 0.000 0.880 597 D CB -0.213 40.633 40.800 0.077 0.000 0.911 597 D HN 0.175 nan 8.370 nan 0.000 0.528 598 D N 0.953 121.423 120.400 0.116 0.000 2.396 598 D HA 0.082 4.713 4.640 -0.015 0.000 0.225 598 D C -1.528 174.791 176.300 0.031 0.000 1.121 598 D CA -2.134 51.926 54.000 0.100 0.000 0.853 598 D CB 1.896 42.791 40.800 0.157 0.000 1.043 598 D HN -0.071 nan 8.370 nan 0.000 0.500 599 P HA -0.079 nan 4.420 nan 0.000 0.225 599 P C 0.886 178.165 177.300 -0.035 0.000 1.148 599 P CA 0.439 63.544 63.100 0.008 0.000 0.779 599 P CB 0.285 31.999 31.700 0.025 0.000 0.780 600 A N -0.792 121.942 122.820 -0.144 0.000 2.119 600 A HA -0.055 4.256 4.320 -0.015 0.000 0.216 600 A C 2.128 179.475 177.584 -0.394 0.000 1.152 600 A CA 0.871 52.695 52.037 -0.355 0.000 0.708 600 A CB -1.382 17.125 19.000 -0.822 0.000 0.805 600 A HN 0.252 nan 8.150 nan 0.000 0.460 601 C N -0.191 118.967 119.300 -0.236 0.000 2.618 601 C HA 0.065 4.516 4.460 -0.015 0.000 0.264 601 C C 1.781 176.749 174.990 -0.037 0.000 1.334 601 C CA 0.025 58.966 59.018 -0.129 0.000 1.731 601 C CB -0.971 26.760 27.740 -0.014 0.000 1.852 601 C HN 0.551 nan 8.230 nan 0.000 0.566 602 D N 0.716 121.103 120.400 -0.022 0.000 2.123 602 D HA -0.123 4.508 4.640 -0.015 0.000 0.196 602 D C 0.975 177.156 176.300 -0.198 0.000 0.992 602 D CA 1.633 55.573 54.000 -0.101 0.000 0.833 602 D CB -0.135 40.547 40.800 -0.197 0.000 0.954 602 D HN 0.591 nan 8.370 nan 0.000 0.455 603 Y N -0.318 120.024 120.300 0.070 0.000 2.584 603 Y HA 0.304 4.845 4.550 -0.015 0.000 0.254 603 Y C 0.344 176.288 175.900 0.073 0.000 1.177 603 Y CA -0.407 57.733 58.100 0.066 0.000 1.216 603 Y CB 0.256 38.732 38.460 0.028 0.000 1.172 603 Y HN -0.226 nan 8.280 nan 0.000 0.529 604 L N 2.744 124.063 121.223 0.161 0.000 2.361 604 L HA 0.117 4.448 4.340 -0.015 0.000 0.278 604 L C 0.333 177.269 176.870 0.110 0.000 1.113 604 L CA 0.259 55.176 54.840 0.128 0.000 0.849 604 L CB 0.565 42.649 42.059 0.041 0.000 1.155 604 L HN 0.320 nan 8.230 nan 0.000 0.452 605 D N 1.575 122.040 120.400 0.109 0.000 2.516 605 D HA 0.005 4.636 4.640 -0.015 0.000 0.241 605 D C 1.097 177.432 176.300 0.058 0.000 1.246 605 D CA -0.211 53.831 54.000 0.071 0.000 0.808 605 D CB 0.332 41.157 40.800 0.043 0.000 1.147 605 D HN 0.389 nan 8.370 nan 0.000 0.527 606 R N 0.394 120.949 120.500 0.092 0.000 2.397 606 R HA 0.207 4.538 4.340 -0.015 0.000 0.241 606 R C 0.473 176.905 176.300 0.220 0.000 0.914 606 R CA 0.123 56.297 56.100 0.124 0.000 1.071 606 R CB 0.642 30.992 30.300 0.084 0.000 1.116 606 R HN 0.404 nan 8.270 nan 0.000 0.524 607 Q N -0.244 119.659 119.800 0.171 0.000 2.565 607 Q HA 0.435 4.766 4.340 -0.015 0.000 0.294 607 Q C -1.418 174.712 176.000 0.216 0.000 1.005 607 Q CA -1.170 54.695 55.803 0.103 0.000 0.771 607 Q CB 1.681 30.411 28.738 -0.012 0.000 1.486 607 Q HN 0.058 nan 8.270 nan 0.000 0.422 608 Y N -2.198 118.122 120.300 0.034 0.000 2.750 608 Y HA 0.671 5.212 4.550 -0.015 0.000 0.335 608 Y C -1.486 174.472 175.900 0.096 0.000 1.252 608 Y CA -1.609 56.532 58.100 0.068 0.000 1.064 608 Y CB 1.236 39.751 38.460 0.092 0.000 1.321 608 Y HN 0.506 nan 8.280 nan 0.000 0.451 609 M N 2.780 122.566 119.600 0.309 0.000 2.238 609 M HA 0.358 4.830 4.480 -0.015 0.000 0.350 609 M C -1.212 175.309 176.300 0.369 0.000 1.138 609 M CA -0.723 54.734 55.300 0.261 0.000 1.040 609 M CB 1.450 34.207 32.600 0.262 0.000 1.639 609 M HN 0.747 nan 8.290 nan 0.000 0.451 610 L N 3.758 125.176 121.223 0.325 0.000 2.321 610 L HA 0.629 4.961 4.340 -0.015 0.000 0.272 610 L C 0.388 177.453 176.870 0.325 0.000 1.050 610 L CA 0.680 55.749 54.840 0.381 0.000 0.893 610 L CB -0.087 42.218 42.059 0.411 0.000 1.272 610 L HN 0.956 nan 8.230 nan 0.000 0.435 611 G N 3.349 112.263 108.800 0.189 0.000 2.760 611 G HA2 -0.268 3.683 3.960 -0.015 0.000 0.246 611 G HA3 -0.268 3.683 3.960 -0.015 0.000 0.246 611 G C 0.315 175.315 174.900 0.167 0.000 1.359 611 G CA -0.103 45.048 45.100 0.085 0.000 0.861 611 G HN 0.487 nan 8.290 nan 0.000 0.541 612 D N 0.309 120.783 120.400 0.123 0.000 2.182 612 D HA -0.079 4.552 4.640 -0.015 0.000 0.201 612 D C 2.037 178.422 176.300 0.142 0.000 0.986 612 D CA 1.762 55.819 54.000 0.094 0.000 0.847 612 D CB 0.033 40.870 40.800 0.061 0.000 0.942 612 D HN 0.391 nan 8.370 nan 0.000 0.467 613 N N -0.559 118.284 118.700 0.238 0.000 2.210 613 N HA 0.028 4.759 4.740 -0.015 0.000 0.203 613 N C -0.007 175.522 175.510 0.033 0.000 1.175 613 N CA 0.010 53.105 53.050 0.075 0.000 0.894 613 N CB 2.105 40.575 38.487 -0.028 0.000 1.041 613 N HN 0.064 nan 8.380 nan 0.000 0.506 614 V N 1.993 121.972 119.914 0.108 0.000 2.448 614 V HA 0.497 4.608 4.120 -0.015 0.000 0.295 614 V C -0.526 175.641 176.094 0.122 0.000 1.025 614 V CA -0.707 61.627 62.300 0.057 0.000 0.859 614 V CB 1.874 33.648 31.823 -0.082 0.000 0.988 614 V HN -0.055 nan 8.190 nan 0.000 0.431 615 M N 8.045 127.708 119.600 0.105 0.000 2.113 615 M HA 0.484 4.955 4.480 -0.015 0.000 0.352 615 M C -1.062 175.088 176.300 -0.250 0.000 1.170 615 M CA -0.206 55.056 55.300 -0.064 0.000 1.053 615 M CB 1.027 33.504 32.600 -0.205 0.000 1.601 615 M HN 0.810 nan 8.290 nan 0.000 0.459 616 V N 5.317 124.964 119.914 -0.446 0.000 2.483 616 V HA 0.908 5.020 4.120 -0.015 0.000 0.295 616 V C -0.838 174.903 176.094 -0.589 0.000 1.035 616 V CA -0.309 61.654 62.300 -0.563 0.000 0.896 616 V CB 1.431 32.975 31.823 -0.466 0.000 0.986 616 V HN 0.968 nan 8.190 nan 0.000 0.447 617 A N 7.448 130.016 122.820 -0.420 0.000 2.586 617 A HA 0.822 5.133 4.320 -0.015 0.000 0.320 617 A C -2.747 174.690 177.584 -0.245 0.000 1.281 617 A CA -1.670 50.200 52.037 -0.278 0.000 0.775 617 A CB 0.647 19.474 19.000 -0.288 0.000 1.122 617 A HN 0.756 nan 8.150 nan 0.000 0.470 618 P HA 0.178 nan 4.420 nan 0.000 0.269 618 P C -0.277 176.692 177.300 -0.553 0.000 1.217 618 P CA 0.046 62.870 63.100 -0.460 0.000 0.783 618 P CB 0.746 31.958 31.700 -0.813 0.000 0.898 619 V N 3.079 122.707 119.914 -0.477 0.000 2.370 619 V HA 0.226 4.337 4.120 -0.015 0.000 0.279 619 V C 0.269 176.098 176.094 -0.441 0.000 1.029 619 V CA 0.118 62.245 62.300 -0.287 0.000 0.870 619 V CB 0.365 32.126 31.823 -0.104 0.000 0.984 619 V HN 0.429 nan 8.190 nan 0.000 0.451 620 F N 2.647 122.458 119.950 -0.233 0.000 2.750 620 F HA 0.282 4.800 4.527 -0.015 0.000 0.297 620 F C 1.041 176.202 175.800 -1.066 0.000 1.138 620 F CA -0.241 57.449 58.000 -0.516 0.000 1.346 620 F CB 0.577 39.420 39.000 -0.262 0.000 0.965 620 F HN 0.566 nan 8.300 nan 0.000 0.514 621 T N -4.618 109.559 114.554 -0.630 0.000 2.909 621 T HA 0.272 4.613 4.350 -0.015 0.000 0.299 621 T C 0.691 175.353 174.700 -0.063 0.000 1.073 621 T CA -0.715 61.142 62.100 -0.405 0.000 0.999 621 T CB 2.360 71.154 68.868 -0.123 0.000 1.098 621 T HN 0.186 nan 8.240 nan 0.000 0.477 622 E N 1.556 121.829 120.200 0.122 0.000 2.031 622 E HA -0.122 4.219 4.350 -0.015 0.000 0.193 622 E C 2.234 178.864 176.600 0.050 0.000 0.994 622 E CA 1.454 57.953 56.400 0.165 0.000 0.800 622 E CB -0.506 29.080 29.700 -0.189 0.000 0.752 622 E HN 0.823 nan 8.360 nan 0.000 0.447 623 A N -0.208 122.609 122.820 -0.004 0.000 2.125 623 A HA 0.044 4.356 4.320 -0.015 0.000 0.219 623 A C 1.896 179.441 177.584 -0.065 0.000 1.156 623 A CA 1.510 53.527 52.037 -0.035 0.000 0.671 623 A CB -0.655 18.337 19.000 -0.012 0.000 0.794 623 A HN 0.635 nan 8.150 nan 0.000 0.459 624 G N -1.014 107.759 108.800 -0.046 0.000 2.159 624 G HA2 -0.184 3.768 3.960 -0.015 0.000 0.227 624 G HA3 -0.184 3.768 3.960 -0.015 0.000 0.227 624 G C -0.309 174.624 174.900 0.055 0.000 0.986 624 G CA 0.103 45.189 45.100 -0.024 0.000 0.651 624 G HN 0.524 nan 8.290 nan 0.000 0.523 625 D N -0.033 120.391 120.400 0.041 0.000 2.443 625 D HA 0.418 5.049 4.640 -0.015 0.000 0.239 625 D C 0.078 176.443 176.300 0.109 0.000 1.136 625 D CA 0.942 54.988 54.000 0.076 0.000 0.879 625 D CB 2.320 43.146 40.800 0.043 0.000 1.195 625 D HN 0.497 nan 8.370 nan 0.000 0.443 626 V N 1.627 121.646 119.914 0.176 0.000 2.924 626 V HA 0.181 4.292 4.120 -0.015 0.000 0.300 626 V C -1.753 174.524 176.094 0.305 0.000 1.227 626 V CA -0.568 61.871 62.300 0.231 0.000 0.954 626 V CB 2.226 34.179 31.823 0.217 0.000 1.055 626 V HN 0.486 nan 8.190 nan 0.000 0.429 627 Q N 5.378 125.373 119.800 0.325 0.000 2.353 627 Q HA 0.778 5.109 4.340 -0.015 0.000 0.268 627 Q C -1.499 174.828 176.000 0.544 0.000 1.045 627 Q CA -0.499 55.514 55.803 0.350 0.000 0.811 627 Q CB 2.725 31.612 28.738 0.248 0.000 1.305 627 Q HN 0.739 nan 8.270 nan 0.000 0.447 628 F N -0.914 119.213 119.950 0.295 0.000 2.668 628 F HA 0.591 5.109 4.527 -0.014 0.000 0.309 628 F C -1.840 173.676 175.800 -0.474 0.000 1.117 628 F CA -1.364 56.572 58.000 -0.107 0.000 0.951 628 F CB 1.013 39.925 39.000 -0.146 0.000 1.323 628 F HN 0.473 nan 8.300 nan 0.000 0.451 629 Y N 2.506 122.226 120.300 -0.966 0.000 2.387 629 Y HA 0.773 5.314 4.550 -0.015 0.000 0.336 629 Y C -1.828 173.683 175.900 -0.649 0.000 1.067 629 Y CA -1.345 56.076 58.100 -1.133 0.000 1.114 629 Y CB 1.564 39.112 38.460 -1.520 0.000 1.208 629 Y HN 0.733 nan 8.280 nan 0.000 0.458 630 L N 8.482 128.814 121.223 -1.484 0.000 2.349 630 L HA 0.565 4.896 4.340 -0.015 0.000 0.278 630 L C -2.419 173.545 176.870 -1.510 0.000 0.996 630 L CA -2.849 51.152 54.840 -1.399 0.000 0.825 630 L CB 1.485 42.861 42.059 -1.139 0.000 1.243 630 L HN 0.591 nan 8.230 nan 0.000 0.412 631 P HA 0.054 nan 4.420 nan 0.000 0.272 631 P C -0.518 176.763 177.300 -0.032 0.000 1.230 631 P CA -0.495 62.322 63.100 -0.472 0.000 0.788 631 P CB 0.461 31.618 31.700 -0.905 0.000 0.949 632 E N 0.711 120.940 120.200 0.048 0.000 2.708 632 E HA 0.206 4.548 4.350 -0.015 0.000 0.260 632 E C 0.319 177.025 176.600 0.175 0.000 0.937 632 E CA 0.840 57.309 56.400 0.116 0.000 0.953 632 E CB -0.483 29.283 29.700 0.110 0.000 0.915 632 E HN 0.674 nan 8.360 nan 0.000 0.487 633 G N 3.227 112.110 108.800 0.137 0.000 2.359 633 G HA2 -0.058 3.893 3.960 -0.015 0.000 0.303 633 G HA3 -0.058 3.893 3.960 -0.015 0.000 0.303 633 G C -1.339 173.600 174.900 0.064 0.000 1.293 633 G CA -0.661 44.444 45.100 0.009 0.000 0.964 633 G HN 0.600 nan 8.290 nan 0.000 0.531 634 R N -0.214 120.246 120.500 -0.067 0.000 2.246 634 R HA 0.556 4.887 4.340 -0.015 0.000 0.332 634 R C -0.963 175.320 176.300 -0.029 0.000 0.974 634 R CA -0.669 55.452 56.100 0.034 0.000 0.837 634 R CB 0.589 30.903 30.300 0.022 0.000 1.145 634 R HN 0.458 nan 8.270 nan 0.000 0.467 635 W N 1.864 123.160 121.300 -0.007 0.000 2.509 635 W HA 0.424 5.075 4.660 -0.014 0.000 0.351 635 W C -0.132 176.497 176.519 0.183 0.000 1.107 635 W CA -0.353 57.019 57.345 0.046 0.000 1.264 635 W CB 1.889 31.333 29.460 -0.027 0.000 1.312 635 W HN 0.304 nan 8.180 nan 0.000 0.608 636 T N 1.326 116.139 114.554 0.432 0.000 2.881 636 T HA 0.101 4.442 4.350 -0.015 0.000 0.290 636 T C -0.748 174.029 174.700 0.128 0.000 1.000 636 T CA -0.655 61.659 62.100 0.357 0.000 0.978 636 T CB 0.965 70.101 68.868 0.447 0.000 0.997 636 T HN 0.288 nan 8.240 nan 0.000 0.443 637 H N 2.894 121.852 119.070 -0.187 0.000 2.964 637 H HA 0.061 4.608 4.556 -0.015 0.000 0.328 637 H C 0.904 176.026 175.328 -0.344 0.000 1.030 637 H CA -0.271 55.352 56.048 -0.709 0.000 1.445 637 H CB 0.855 30.175 29.762 -0.737 0.000 1.449 637 H HN 0.523 nan 8.280 nan 0.000 0.581 638 L N 6.029 126.921 121.223 -0.552 0.000 2.079 638 L HA -0.161 4.170 4.340 -0.015 0.000 0.210 638 L C 1.710 178.714 176.870 0.222 0.000 1.081 638 L CA 2.125 56.895 54.840 -0.117 0.000 0.752 638 L CB -0.430 41.561 42.059 -0.113 0.000 0.896 638 L HN 0.823 nan 8.230 nan 0.000 0.433 639 W N -4.594 116.843 121.300 0.227 0.000 2.942 639 W HA 0.262 4.913 4.660 -0.014 0.000 0.260 639 W C 1.822 178.393 176.519 0.086 0.000 1.101 639 W CA -0.022 57.389 57.345 0.110 0.000 1.436 639 W CB -0.694 28.803 29.460 0.062 0.000 0.883 639 W HN -0.075 nan 8.180 nan 0.000 0.646 640 H N 1.147 120.063 119.070 -0.257 0.000 2.502 640 H HA 0.032 4.579 4.556 -0.015 0.000 0.283 640 H C 0.750 176.042 175.328 -0.061 0.000 1.015 640 H CA 1.117 56.990 56.048 -0.292 0.000 1.298 640 H CB -0.404 28.940 29.762 -0.698 0.000 1.411 640 H HN 0.198 nan 8.280 nan 0.000 0.556 641 N N 1.018 119.803 118.700 0.141 0.000 2.815 641 N HA -0.172 4.559 4.740 -0.015 0.000 0.247 641 N C -0.560 175.047 175.510 0.161 0.000 1.030 641 N CA 1.084 54.235 53.050 0.168 0.000 0.881 641 N CB -0.906 37.667 38.487 0.144 0.000 1.134 641 N HN 0.702 nan 8.380 nan 0.000 0.582 642 D N -0.009 120.484 120.400 0.155 0.000 2.362 642 D HA 0.125 4.756 4.640 -0.015 0.000 0.242 642 D C -0.223 176.234 176.300 0.262 0.000 1.132 642 D CA 0.283 54.384 54.000 0.168 0.000 0.907 642 D CB 0.934 41.814 40.800 0.134 0.000 1.195 642 D HN 0.268 nan 8.370 nan 0.000 0.429 643 E N 0.410 120.736 120.200 0.210 0.000 2.212 643 E HA 0.530 4.871 4.350 -0.015 0.000 0.268 643 E C -0.736 175.948 176.600 0.139 0.000 0.902 643 E CA -0.841 55.686 56.400 0.213 0.000 0.779 643 E CB 2.322 32.115 29.700 0.154 0.000 1.172 643 E HN 0.356 nan 8.360 nan 0.000 0.409 644 L N 2.252 123.534 121.223 0.098 0.000 2.408 644 L HA 0.389 4.720 4.340 -0.015 0.000 0.268 644 L C -0.767 176.114 176.870 0.019 0.000 0.986 644 L CA -1.016 53.770 54.840 -0.090 0.000 0.820 644 L CB 2.026 43.764 42.059 -0.535 0.000 1.303 644 L HN 0.408 nan 8.230 nan 0.000 0.411 645 D N 1.802 122.235 120.400 0.055 0.000 2.256 645 D HA 0.338 4.970 4.640 -0.015 0.000 0.250 645 D C 0.270 176.641 176.300 0.118 0.000 1.093 645 D CA 0.142 54.206 54.000 0.107 0.000 0.882 645 D CB 2.300 43.151 40.800 0.084 0.000 1.185 645 D HN 0.665 nan 8.370 nan 0.000 0.437 646 G N -0.305 108.564 108.800 0.115 0.000 2.509 646 G HA2 0.300 4.251 3.960 -0.015 0.000 0.269 646 G HA3 0.300 4.251 3.960 -0.015 0.000 0.269 646 G C 0.224 175.075 174.900 -0.082 0.000 1.416 646 G CA -0.295 44.788 45.100 -0.029 0.000 1.052 646 G HN 0.485 nan 8.290 nan 0.000 0.542 647 S N -1.740 113.845 115.700 -0.192 0.000 3.490 647 S HA -0.177 4.284 4.470 -0.015 0.000 0.301 647 S C 0.408 175.011 174.600 0.004 0.000 1.233 647 S CA 1.727 59.899 58.200 -0.047 0.000 0.914 647 S CB -1.436 61.794 63.200 0.049 0.000 1.047 647 S HN 1.166 nan 8.310 nan 0.000 0.602 648 R N -1.760 118.594 120.500 -0.244 0.000 2.733 648 R HA 0.575 4.907 4.340 -0.015 0.000 0.272 648 R C -1.408 174.711 176.300 -0.301 0.000 1.029 648 R CA -1.098 54.938 56.100 -0.106 0.000 0.888 648 R CB 0.356 30.562 30.300 -0.157 0.000 1.251 648 R HN 0.112 nan 8.270 nan 0.000 0.464 649 W N 0.960 122.105 121.300 -0.258 0.000 2.237 649 W HA 0.407 5.058 4.660 -0.015 0.000 0.335 649 W C 0.442 176.478 176.519 -0.804 0.000 1.230 649 W CA 0.501 57.627 57.345 -0.364 0.000 1.253 649 W CB 0.726 30.072 29.460 -0.190 0.000 1.129 649 W HN 0.299 nan 8.180 nan 0.000 0.590 650 H N 1.380 120.194 119.070 -0.426 0.000 2.768 650 H HA 0.341 4.889 4.556 -0.015 0.000 0.371 650 H C -0.987 174.076 175.328 -0.442 0.000 1.151 650 H CA -1.104 54.607 56.048 -0.562 0.000 1.165 650 H CB 2.485 31.668 29.762 -0.966 0.000 1.722 650 H HN 0.214 nan 8.280 nan 0.000 0.543 651 K N 2.291 122.646 120.400 -0.075 0.000 2.345 651 K HA 0.363 4.674 4.320 -0.015 0.000 0.255 651 K C -1.067 175.606 176.600 0.122 0.000 0.934 651 K CA -0.389 55.919 56.287 0.036 0.000 0.801 651 K CB 1.674 34.182 32.500 0.014 0.000 1.137 651 K HN 0.674 nan 8.250 nan 0.000 0.424 652 Q N 1.765 121.701 119.800 0.227 0.000 2.615 652 Q HA 0.276 4.607 4.340 -0.015 0.000 0.298 652 Q C -1.584 174.534 176.000 0.196 0.000 1.023 652 Q CA -1.012 54.928 55.803 0.230 0.000 0.768 652 Q CB 2.856 31.845 28.738 0.418 0.000 1.500 652 Q HN 0.537 nan 8.270 nan 0.000 0.441 653 Q N 0.674 120.511 119.800 0.062 0.000 2.304 653 Q HA 0.364 4.695 4.340 -0.015 0.000 0.270 653 Q C -1.727 174.210 176.000 -0.104 0.000 1.035 653 Q CA -0.347 55.480 55.803 0.039 0.000 0.781 653 Q CB 1.462 30.189 28.738 -0.020 0.000 1.261 653 Q HN 0.592 nan 8.270 nan 0.000 0.444 654 H N 1.751 120.821 119.070 -0.001 0.000 2.637 654 H HA 0.414 4.961 4.556 -0.015 0.000 0.363 654 H C -0.071 175.208 175.328 -0.081 0.000 1.131 654 H CA -0.564 55.487 56.048 0.006 0.000 1.183 654 H CB 2.109 31.915 29.762 0.074 0.000 1.637 654 H HN 0.876 nan 8.280 nan 0.000 0.531 655 G N 0.452 109.269 108.800 0.028 0.000 2.588 655 G HA2 0.091 4.042 3.960 -0.015 0.000 0.278 655 G HA3 0.091 4.042 3.960 -0.015 0.000 0.278 655 G C 0.202 175.103 174.900 0.001 0.000 1.307 655 G CA -0.353 44.694 45.100 -0.088 0.000 1.016 655 G HN 0.479 nan 8.290 nan 0.000 0.503 656 F N -1.207 118.861 119.950 0.197 0.000 2.604 656 F HA 0.115 4.634 4.527 -0.014 0.000 0.298 656 F C 2.042 178.015 175.800 0.288 0.000 1.131 656 F CA 0.222 58.362 58.000 0.234 0.000 1.457 656 F CB 0.065 39.196 39.000 0.218 0.000 1.095 656 F HN 0.052 nan 8.300 nan 0.000 0.574 657 L N -1.440 119.969 121.223 0.309 0.000 2.653 657 L HA 0.224 4.556 4.340 -0.015 0.000 0.231 657 L C 0.530 177.490 176.870 0.150 0.000 1.153 657 L CA 0.154 55.003 54.840 0.016 0.000 0.933 657 L CB -0.426 41.406 42.059 -0.378 0.000 1.175 657 L HN -0.052 nan 8.230 nan 0.000 0.473 658 S N -0.183 115.834 115.700 0.528 0.000 2.618 658 S HA 0.912 5.373 4.470 -0.015 0.000 0.277 658 S C -1.317 173.581 174.600 0.497 0.000 1.138 658 S CA -0.587 58.033 58.200 0.700 0.000 0.844 658 S CB 1.304 64.905 63.200 0.668 0.000 1.127 658 S HN 0.119 nan 8.310 nan 0.000 0.474 659 L N -0.660 120.709 121.223 0.244 0.000 2.866 659 L HA 0.667 4.998 4.340 -0.015 0.000 0.262 659 L C -3.228 173.355 176.870 -0.478 0.000 0.986 659 L CA -2.087 52.540 54.840 -0.355 0.000 0.925 659 L CB 1.497 43.499 42.059 -0.095 0.000 1.484 659 L HN 0.361 nan 8.230 nan 0.000 0.414 660 P HA 0.235 nan 4.420 nan 0.000 0.265 660 P C -0.960 176.045 177.300 -0.493 0.000 1.222 660 P CA 0.054 62.877 63.100 -0.462 0.000 0.767 660 P CB 0.892 32.034 31.700 -0.930 0.000 0.801 661 V N 5.826 125.260 119.914 -0.801 0.000 2.439 661 V HA 0.298 4.409 4.120 -0.015 0.000 0.277 661 V C -0.887 174.640 176.094 -0.945 0.000 1.008 661 V CA -0.493 61.382 62.300 -0.708 0.000 0.846 661 V CB 0.212 31.731 31.823 -0.507 0.000 1.031 661 V HN 0.390 nan 8.190 nan 0.000 0.441 662 Y N 2.361 122.409 120.300 -0.421 0.000 2.393 662 Y HA 0.662 5.203 4.550 -0.015 0.000 0.341 662 Y C 0.117 176.030 175.900 0.022 0.000 0.988 662 Y CA -0.830 57.148 58.100 -0.203 0.000 1.078 662 Y CB 2.325 40.697 38.460 -0.146 0.000 1.203 662 Y HN 0.361 nan 8.280 nan 0.000 0.453 663 V N 4.529 124.441 119.914 -0.002 0.000 2.439 663 V HA 0.385 4.496 4.120 -0.015 0.000 0.282 663 V C 0.248 176.150 176.094 -0.320 0.000 1.039 663 V CA -1.179 60.923 62.300 -0.329 0.000 0.913 663 V CB 1.289 32.444 31.823 -1.113 0.000 0.983 663 V HN 0.691 nan 8.190 nan 0.000 0.460 664 R N 2.553 122.725 120.500 -0.545 0.000 2.698 664 R HA 0.061 4.392 4.340 -0.015 0.000 0.266 664 R C 0.197 176.141 176.300 -0.593 0.000 1.026 664 R CA -0.305 55.200 56.100 -0.992 0.000 1.102 664 R CB 0.362 30.310 30.300 -0.587 0.000 0.978 664 R HN 0.972 nan 8.270 nan 0.000 0.436 665 D N 2.450 122.490 120.400 -0.599 0.000 2.352 665 D HA -0.129 4.503 4.640 -0.015 0.000 0.238 665 D C -0.293 175.898 176.300 -0.181 0.000 1.286 665 D CA -0.133 53.700 54.000 -0.279 0.000 0.923 665 D CB 0.246 40.891 40.800 -0.259 0.000 1.146 665 D HN 0.581 nan 8.370 nan 0.000 0.471 666 N N -1.152 117.487 118.700 -0.101 0.000 2.714 666 N HA -0.167 4.564 4.740 -0.015 0.000 0.252 666 N C -0.878 174.634 175.510 0.004 0.000 1.014 666 N CA 1.063 54.084 53.050 -0.047 0.000 0.735 666 N CB -1.593 36.856 38.487 -0.063 0.000 0.924 666 N HN 0.527 nan 8.380 nan 0.000 0.540 667 T N 0.832 115.423 114.554 0.061 0.000 2.841 667 T HA 0.571 4.912 4.350 -0.015 0.000 0.283 667 T C -0.133 174.702 174.700 0.225 0.000 1.000 667 T CA -0.573 61.585 62.100 0.097 0.000 0.977 667 T CB 2.302 71.170 68.868 -0.001 0.000 0.979 667 T HN 0.167 nan 8.240 nan 0.000 0.446 668 L N 4.443 125.775 121.223 0.182 0.000 2.343 668 L HA 0.734 5.066 4.340 -0.015 0.000 0.278 668 L C -1.694 175.337 176.870 0.269 0.000 0.996 668 L CA -0.789 54.185 54.840 0.223 0.000 0.831 668 L CB 1.161 43.288 42.059 0.115 0.000 1.232 668 L HN 0.467 nan 8.230 nan 0.000 0.413 669 L N 5.010 126.450 121.223 0.361 0.000 2.356 669 L HA 0.846 5.178 4.340 -0.015 0.000 0.277 669 L C -0.380 176.694 176.870 0.341 0.000 0.996 669 L CA -0.466 54.548 54.840 0.291 0.000 0.822 669 L CB 1.684 43.870 42.059 0.212 0.000 1.256 669 L HN 0.720 nan 8.230 nan 0.000 0.413 670 A N 5.245 128.223 122.820 0.263 0.000 2.276 670 A HA 0.682 4.994 4.320 -0.015 0.000 0.300 670 A C -1.076 176.547 177.584 0.066 0.000 1.235 670 A CA -0.337 51.743 52.037 0.071 0.000 0.867 670 A CB 0.101 19.092 19.000 -0.015 0.000 1.137 670 A HN 0.539 nan 8.150 nan 0.000 0.527 671 L N 2.384 123.649 121.223 0.071 0.000 2.334 671 L HA 0.667 4.998 4.340 -0.015 0.000 0.276 671 L C 0.964 177.885 176.870 0.085 0.000 1.014 671 L CA 0.048 54.939 54.840 0.086 0.000 0.815 671 L CB 1.594 43.717 42.059 0.107 0.000 1.268 671 L HN 0.804 nan 8.230 nan 0.000 0.428 672 G N 0.794 109.695 108.800 0.168 0.000 2.522 672 G HA2 0.335 4.286 3.960 -0.015 0.000 0.304 672 G HA3 0.335 4.286 3.960 -0.015 0.000 0.304 672 G C 0.335 175.354 174.900 0.199 0.000 1.210 672 G CA -0.353 44.936 45.100 0.315 0.000 0.960 672 G HN 0.734 nan 8.290 nan 0.000 0.497 673 N N -0.744 118.044 118.700 0.146 0.000 2.238 673 N HA 0.031 4.762 4.740 -0.015 0.000 0.222 673 N C -0.279 175.117 175.510 -0.191 0.000 1.133 673 N CA -0.476 52.566 53.050 -0.013 0.000 0.854 673 N CB 0.413 38.903 38.487 0.005 0.000 1.041 673 N HN 0.304 nan 8.380 nan 0.000 0.510 674 N N 1.236 119.666 118.700 -0.450 0.000 2.448 674 N HA 0.101 4.832 4.740 -0.015 0.000 0.279 674 N C -1.159 174.127 175.510 -0.372 0.000 1.025 674 N CA -0.340 52.327 53.050 -0.638 0.000 0.898 674 N CB 1.502 39.184 38.487 -1.341 0.000 1.303 674 N HN 0.164 nan 8.380 nan 0.000 0.495 675 D N 1.799 122.089 120.400 -0.184 0.000 2.525 675 D HA 0.113 4.744 4.640 -0.015 0.000 0.229 675 D C 0.228 176.517 176.300 -0.020 0.000 1.202 675 D CA 0.192 54.143 54.000 -0.081 0.000 0.828 675 D CB 0.522 41.266 40.800 -0.094 0.000 1.008 675 D HN 0.302 nan 8.370 nan 0.000 0.493 676 Q N 0.263 120.052 119.800 -0.018 0.000 2.280 676 Q HA 0.204 4.535 4.340 -0.015 0.000 0.244 676 Q C 0.297 176.440 176.000 0.238 0.000 0.847 676 Q CA 0.354 56.199 55.803 0.070 0.000 0.945 676 Q CB 1.493 30.235 28.738 0.007 0.000 1.115 676 Q HN 0.544 nan 8.270 nan 0.000 0.513 677 R N -0.812 119.790 120.500 0.171 0.000 2.680 677 R HA 0.383 4.714 4.340 -0.015 0.000 0.269 677 R C -2.614 173.806 176.300 0.201 0.000 1.026 677 R CA -1.275 54.925 56.100 0.167 0.000 0.889 677 R CB 1.173 31.587 30.300 0.191 0.000 1.241 677 R HN -0.311 nan 8.270 nan 0.000 0.463 678 P HA -0.041 nan 4.420 nan 0.000 0.227 678 P C -0.689 176.841 177.300 0.383 0.000 1.161 678 P CA 0.870 64.118 63.100 0.247 0.000 0.788 678 P CB 0.057 31.821 31.700 0.107 0.000 0.822 679 D N 0.853 121.407 120.400 0.257 0.000 2.467 679 D HA 0.213 4.844 4.640 -0.015 0.000 0.220 679 D C -0.169 176.108 176.300 -0.038 0.000 1.103 679 D CA -0.877 53.147 54.000 0.041 0.000 0.886 679 D CB -0.131 40.699 40.800 0.050 0.000 1.025 679 D HN 0.268 nan 8.370 nan 0.000 0.514 680 Y N -1.950 118.057 120.300 -0.488 0.000 2.705 680 Y HA 0.500 5.041 4.550 -0.015 0.000 0.332 680 Y C -0.839 174.568 175.900 -0.822 0.000 1.221 680 Y CA -1.724 56.098 58.100 -0.462 0.000 1.059 680 Y CB 0.692 39.046 38.460 -0.176 0.000 1.298 680 Y HN -0.106 nan 8.280 nan 0.000 0.459 681 V N 3.079 122.821 119.914 -0.287 0.000 2.266 681 V HA -0.095 4.016 4.120 -0.015 0.000 0.240 681 V C 0.353 176.318 176.094 -0.214 0.000 1.225 681 V CA -0.146 61.953 62.300 -0.336 0.000 1.237 681 V CB -1.190 30.482 31.823 -0.252 0.000 1.343 681 V HN 0.823 nan 8.190 nan 0.000 0.496 682 W N 2.957 124.176 121.300 -0.135 0.000 2.387 682 W HA -0.117 4.535 4.660 -0.015 0.000 0.272 682 W C 2.104 178.622 176.519 -0.003 0.000 1.224 682 W CA 1.454 58.709 57.345 -0.150 0.000 1.210 682 W CB -0.606 28.724 29.460 -0.217 0.000 1.125 682 W HN 0.848 nan 8.180 nan 0.000 0.572 683 H N -1.263 117.893 119.070 0.144 0.000 2.539 683 H HA 0.287 4.835 4.556 -0.015 0.000 0.269 683 H C -0.497 174.857 175.328 0.044 0.000 0.980 683 H CA 0.234 56.331 56.048 0.083 0.000 1.152 683 H CB -0.316 29.492 29.762 0.077 0.000 1.407 683 H HN 0.091 nan 8.280 nan 0.000 0.564 684 E N 0.416 120.486 120.200 -0.217 0.000 2.133 684 E HA 0.399 4.741 4.350 -0.015 0.000 0.274 684 E C 0.168 176.770 176.600 0.003 0.000 0.930 684 E CA -0.180 56.147 56.400 -0.123 0.000 0.770 684 E CB 1.378 30.953 29.700 -0.209 0.000 1.104 684 E HN 0.532 nan 8.360 nan 0.000 0.403 685 G N 2.992 111.820 108.800 0.048 0.000 2.143 685 G HA2 -0.275 3.677 3.960 -0.015 0.000 0.249 685 G HA3 -0.275 3.677 3.960 -0.015 0.000 0.249 685 G C 0.352 175.296 174.900 0.073 0.000 0.981 685 G CA 0.177 45.312 45.100 0.059 0.000 0.665 685 G HN 0.525 nan 8.290 nan 0.000 0.528 686 T N 0.967 115.557 114.554 0.060 0.000 2.908 686 T HA 0.461 4.803 4.350 -0.015 0.000 0.301 686 T C 0.664 175.301 174.700 -0.106 0.000 1.019 686 T CA 0.814 62.846 62.100 -0.114 0.000 1.152 686 T CB 1.541 70.153 68.868 -0.426 0.000 0.966 686 T HN 1.481 nan 8.240 nan 0.000 0.540 687 A N 3.968 126.717 122.820 -0.118 0.000 2.322 687 A HA 0.620 4.931 4.320 -0.015 0.000 0.327 687 A C -0.339 177.211 177.584 -0.056 0.000 1.394 687 A CA -0.725 51.296 52.037 -0.027 0.000 0.921 687 A CB -0.232 18.828 19.000 0.100 0.000 1.153 687 A HN 0.691 nan 8.150 nan 0.000 0.523 688 F N 2.042 122.053 119.950 0.101 0.000 2.399 688 F HA 0.338 4.856 4.527 -0.014 0.000 0.342 688 F C 1.013 176.776 175.800 -0.062 0.000 1.106 688 F CA 0.605 58.670 58.000 0.109 0.000 1.196 688 F CB 0.885 39.944 39.000 0.099 0.000 1.163 688 F HN 0.491 nan 8.300 nan 0.000 0.547 689 H N 3.866 123.086 119.070 0.250 0.000 2.744 689 H HA 0.323 4.870 4.556 -0.014 0.000 0.339 689 H C -1.242 174.067 175.328 -0.032 0.000 1.004 689 H CA -0.914 55.149 56.048 0.026 0.000 1.257 689 H CB 2.353 32.092 29.762 -0.038 0.000 1.552 689 H HN 0.399 nan 8.280 nan 0.000 0.522 690 L N 3.908 125.088 121.223 -0.071 0.000 2.289 690 L HA 0.393 4.724 4.340 -0.015 0.000 0.285 690 L C -1.378 175.366 176.870 -0.210 0.000 1.049 690 L CA -0.186 54.640 54.840 -0.024 0.000 0.804 690 L CB 0.214 42.275 42.059 0.003 0.000 1.195 690 L HN 0.359 nan 8.230 nan 0.000 0.428 691 F N 3.796 123.768 119.950 0.036 0.000 2.477 691 F HA 0.382 4.901 4.527 -0.015 0.000 0.335 691 F C 0.768 176.548 175.800 -0.033 0.000 1.130 691 F CA -0.808 57.197 58.000 0.007 0.000 0.948 691 F CB 0.895 39.884 39.000 -0.019 0.000 1.154 691 F HN 0.628 nan 8.300 nan 0.000 0.439 692 N N 2.517 121.283 118.700 0.110 0.000 2.689 692 N HA -0.240 4.491 4.740 -0.015 0.000 0.263 692 N C -0.745 174.754 175.510 -0.018 0.000 0.987 692 N CA -0.066 53.004 53.050 0.033 0.000 0.782 692 N CB -0.508 37.990 38.487 0.019 0.000 0.903 692 N HN 0.500 nan 8.380 nan 0.000 0.547 693 L N 1.200 122.420 121.223 -0.004 0.000 2.500 693 L HA 0.023 4.355 4.340 -0.015 0.000 0.272 693 L C 0.823 177.666 176.870 -0.044 0.000 1.149 693 L CA 0.486 55.314 54.840 -0.020 0.000 0.897 693 L CB 0.378 42.445 42.059 0.014 0.000 1.178 693 L HN 0.379 nan 8.230 nan 0.000 0.473 694 Q N 2.418 122.141 119.800 -0.128 0.000 2.260 694 Q HA 0.118 4.449 4.340 -0.015 0.000 0.238 694 Q C -0.491 175.549 176.000 0.068 0.000 0.948 694 Q CA -0.785 54.953 55.803 -0.109 0.000 0.895 694 Q CB 1.200 29.735 28.738 -0.338 0.000 1.218 694 Q HN 0.451 nan 8.270 nan 0.000 0.470 695 D N -0.187 120.269 120.400 0.092 0.000 2.434 695 D HA 0.121 4.752 4.640 -0.015 0.000 0.252 695 D C 0.681 177.090 176.300 0.182 0.000 1.185 695 D CA 1.634 55.700 54.000 0.109 0.000 0.886 695 D CB 0.393 41.233 40.800 0.067 0.000 1.148 695 D HN 0.737 nan 8.370 nan 0.000 0.483 696 G N 3.323 112.193 108.800 0.118 0.000 2.176 696 G HA2 -0.192 3.759 3.960 -0.015 0.000 0.232 696 G HA3 -0.192 3.759 3.960 -0.015 0.000 0.232 696 G C 0.337 175.212 174.900 -0.042 0.000 0.986 696 G CA -0.000 45.120 45.100 0.034 0.000 0.643 696 G HN 0.701 nan 8.290 nan 0.000 0.522 697 H N 0.236 119.302 119.070 -0.007 0.000 2.533 697 H HA 0.606 5.153 4.556 -0.014 0.000 0.343 697 H C -0.592 174.728 175.328 -0.013 0.000 1.160 697 H CA -0.366 55.676 56.048 -0.010 0.000 1.218 697 H CB 2.050 31.807 29.762 -0.009 0.000 1.566 697 H HN 0.336 nan 8.280 nan 0.000 0.522 698 E N 1.231 121.484 120.200 0.087 0.000 2.191 698 E HA 0.514 4.855 4.350 -0.015 0.000 0.263 698 E C -1.523 175.099 176.600 0.035 0.000 0.881 698 E CA -0.968 55.455 56.400 0.038 0.000 0.757 698 E CB 1.379 31.077 29.700 -0.003 0.000 1.147 698 E HN 0.707 nan 8.360 nan 0.000 0.414 699 A N 3.882 126.718 122.820 0.026 0.000 2.276 699 A HA 0.579 4.891 4.320 -0.015 0.000 0.316 699 A C -0.813 176.766 177.584 -0.009 0.000 1.229 699 A CA -0.564 51.486 52.037 0.021 0.000 0.851 699 A CB 1.090 20.115 19.000 0.041 0.000 1.165 699 A HN 0.392 nan 8.150 nan 0.000 0.513 700 V N 1.164 121.071 119.914 -0.011 0.000 2.628 700 V HA 0.605 4.716 4.120 -0.015 0.000 0.306 700 V C -0.285 175.805 176.094 -0.008 0.000 1.045 700 V CA -0.620 61.655 62.300 -0.042 0.000 0.905 700 V CB 1.528 33.322 31.823 -0.050 0.000 0.997 700 V HN 1.076 nan 8.190 nan 0.000 0.436 701 C N 4.003 123.283 119.300 -0.034 0.000 2.446 701 C HA 0.609 5.060 4.460 -0.015 0.000 0.329 701 C C -0.491 174.513 174.990 0.023 0.000 1.166 701 C CA -0.385 58.666 59.018 0.056 0.000 1.341 701 C CB 0.496 28.332 27.740 0.161 0.000 1.970 701 C HN 1.019 nan 8.230 nan 0.000 0.452 702 E N 4.273 124.505 120.200 0.053 0.000 2.113 702 E HA 0.433 4.775 4.350 -0.015 0.000 0.273 702 E C -0.771 175.898 176.600 0.114 0.000 0.924 702 E CA -0.447 55.978 56.400 0.042 0.000 0.764 702 E CB 1.839 31.539 29.700 -0.001 0.000 1.104 702 E HN 0.579 nan 8.360 nan 0.000 0.406 703 V N 5.937 125.969 119.914 0.198 0.000 2.432 703 V HA 0.235 4.346 4.120 -0.015 0.000 0.271 703 V C -1.840 174.372 176.094 0.196 0.000 1.046 703 V CA -1.549 60.894 62.300 0.238 0.000 0.945 703 V CB 0.553 32.605 31.823 0.382 0.000 0.992 703 V HN 0.590 nan 8.190 nan 0.000 0.471 704 P HA 0.498 nan 4.420 nan 0.000 0.282 704 P C -0.623 176.883 177.300 0.343 0.000 1.259 704 P CA -0.472 62.765 63.100 0.228 0.000 0.826 704 P CB 1.653 33.494 31.700 0.235 0.000 1.064 705 A N 1.270 124.232 122.820 0.237 0.000 2.246 705 A HA 0.543 4.854 4.320 -0.015 0.000 0.291 705 A C 1.712 179.447 177.584 0.253 0.000 1.103 705 A CA 0.096 52.235 52.037 0.170 0.000 0.844 705 A CB -0.415 18.611 19.000 0.043 0.000 1.136 705 A HN 0.514 nan 8.150 nan 0.000 0.500 706 A N 0.091 122.923 122.820 0.020 0.000 1.997 706 A HA -0.207 4.105 4.320 -0.015 0.000 0.221 706 A C 1.318 179.011 177.584 0.182 0.000 1.172 706 A CA 2.400 54.407 52.037 -0.051 0.000 0.645 706 A CB -0.800 18.101 19.000 -0.165 0.000 0.813 706 A HN 0.905 nan 8.150 nan 0.000 0.454 707 D N -2.702 117.811 120.400 0.188 0.000 2.340 707 D HA 0.299 4.931 4.640 -0.015 0.000 0.220 707 D C 1.189 177.633 176.300 0.240 0.000 1.039 707 D CA 0.962 55.084 54.000 0.202 0.000 0.866 707 D CB -0.548 40.319 40.800 0.111 0.000 0.913 707 D HN 0.801 nan 8.370 nan 0.000 0.523 708 G N 0.210 109.217 108.800 0.345 0.000 2.225 708 G HA2 -0.316 3.635 3.960 -0.015 0.000 0.254 708 G HA3 -0.316 3.635 3.960 -0.015 0.000 0.254 708 G C 0.514 175.474 174.900 0.101 0.000 0.988 708 G CA 0.502 45.721 45.100 0.198 0.000 0.625 708 G HN 0.857 nan 8.290 nan 0.000 0.527 709 S N -0.440 115.319 115.700 0.098 0.000 2.584 709 S HA 0.567 5.028 4.470 -0.015 0.000 0.270 709 S C 0.475 175.113 174.600 0.063 0.000 1.346 709 S CA -0.076 58.158 58.200 0.057 0.000 1.018 709 S CB 2.023 65.249 63.200 0.043 0.000 0.899 709 S HN 1.112 nan 8.310 nan 0.000 0.542 710 V N 2.808 122.744 119.914 0.037 0.000 2.488 710 V HA 0.223 4.334 4.120 -0.015 0.000 0.277 710 V C 1.039 177.155 176.094 0.036 0.000 1.046 710 V CA -0.154 62.169 62.300 0.038 0.000 0.986 710 V CB 0.526 32.355 31.823 0.010 0.000 0.989 710 V HN 0.981 nan 8.190 nan 0.000 0.475 711 I N 3.877 124.479 120.570 0.052 0.000 4.035 711 I HA 0.350 4.511 4.170 -0.015 0.000 0.321 711 I C -0.191 176.011 176.117 0.143 0.000 1.289 711 I CA 0.473 61.786 61.300 0.022 0.000 1.236 711 I CB 0.589 38.506 38.000 -0.139 0.000 1.076 711 I HN 0.568 nan 8.210 nan 0.000 0.418 712 F N 0.106 120.045 119.950 -0.018 0.000 2.604 712 F HA 0.398 4.916 4.527 -0.015 0.000 0.316 712 F C -1.142 174.642 175.800 -0.027 0.000 1.136 712 F CA -0.441 57.553 58.000 -0.011 0.000 0.989 712 F CB 1.681 40.700 39.000 0.032 0.000 1.258 712 F HN -0.390 nan 8.300 nan 0.000 0.451 713 T N 6.811 120.917 114.554 -0.747 0.000 2.809 713 T HA 0.505 4.846 4.350 -0.015 0.000 0.284 713 T C -1.247 172.860 174.700 -0.988 0.000 0.992 713 T CA -0.539 61.189 62.100 -0.620 0.000 0.957 713 T CB 1.275 69.937 68.868 -0.343 0.000 0.942 713 T HN 0.497 nan 8.240 nan 0.000 0.439 714 L N 3.720 124.473 121.223 -0.784 0.000 2.322 714 L HA 0.619 4.950 4.340 -0.015 0.000 0.281 714 L C -0.568 176.055 176.870 -0.411 0.000 1.014 714 L CA -0.711 53.680 54.840 -0.748 0.000 0.815 714 L CB 1.594 43.026 42.059 -1.046 0.000 1.247 714 L HN 0.588 nan 8.230 nan 0.000 0.421 715 K N 3.297 123.519 120.400 -0.297 0.000 2.371 715 K HA 0.738 5.050 4.320 -0.015 0.000 0.251 715 K C -1.118 175.415 176.600 -0.113 0.000 0.934 715 K CA -0.598 55.588 56.287 -0.168 0.000 0.798 715 K CB 2.566 34.985 32.500 -0.134 0.000 1.204 715 K HN 0.610 nan 8.250 nan 0.000 0.427 716 A N 1.576 124.357 122.820 -0.065 0.000 2.332 716 A HA 0.728 5.039 4.320 -0.015 0.000 0.300 716 A C -1.134 176.447 177.584 -0.005 0.000 1.153 716 A CA -0.651 51.369 52.037 -0.028 0.000 0.764 716 A CB 1.192 20.185 19.000 -0.013 0.000 1.174 716 A HN 0.690 nan 8.150 nan 0.000 0.467 717 A N 2.706 125.525 122.820 -0.002 0.000 2.287 717 A HA 0.719 5.031 4.320 -0.015 0.000 0.317 717 A C 0.041 177.636 177.584 0.019 0.000 1.220 717 A CA -0.644 51.399 52.037 0.009 0.000 0.835 717 A CB 0.517 19.514 19.000 -0.004 0.000 1.180 717 A HN 0.903 nan 8.150 nan 0.000 0.500 718 R N 1.809 122.330 120.500 0.035 0.000 2.265 718 R HA 0.475 4.806 4.340 -0.015 0.000 0.319 718 R C 0.553 176.873 176.300 0.034 0.000 1.006 718 R CA 0.386 56.508 56.100 0.036 0.000 0.880 718 R CB 1.083 31.412 30.300 0.048 0.000 1.077 718 R HN 0.701 nan 8.270 nan 0.000 0.454 719 T N 1.040 115.608 114.554 0.023 0.000 3.026 719 T HA 0.342 4.684 4.350 -0.015 0.000 0.245 719 T C 0.597 175.308 174.700 0.018 0.000 1.004 719 T CA 0.821 62.931 62.100 0.017 0.000 1.069 719 T CB 0.366 69.240 68.868 0.009 0.000 1.005 719 T HN 0.735 nan 8.240 nan 0.000 0.472 720 G N 0.596 109.407 108.800 0.019 0.000 2.861 720 G HA2 0.201 4.153 3.960 -0.015 0.000 0.160 720 G HA3 0.201 4.153 3.960 -0.015 0.000 0.160 720 G C 0.152 175.064 174.900 0.019 0.000 1.570 720 G CA -0.099 45.012 45.100 0.019 0.000 0.925 720 G HN 0.244 nan 8.290 nan 0.000 0.754 721 N N 1.039 119.748 118.700 0.016 0.000 2.214 721 N HA 0.267 4.998 4.740 -0.015 0.000 0.214 721 N C -0.520 174.998 175.510 0.014 0.000 1.132 721 N CA 0.096 53.155 53.050 0.015 0.000 0.856 721 N CB 1.129 39.624 38.487 0.013 0.000 1.020 721 N HN 0.193 nan 8.380 nan 0.000 0.509 722 T N 1.984 116.546 114.554 0.014 0.000 2.795 722 T HA 0.489 4.830 4.350 -0.015 0.000 0.282 722 T C 0.420 175.130 174.700 0.015 0.000 0.980 722 T CA -0.553 61.555 62.100 0.014 0.000 1.012 722 T CB 1.150 70.025 68.868 0.011 0.000 0.936 722 T HN 0.067 nan 8.240 nan 0.000 0.457 723 I N 0.462 121.042 120.570 0.016 0.000 2.355 723 I HA 0.505 4.666 4.170 -0.015 0.000 0.288 723 I C -0.407 175.720 176.117 0.016 0.000 0.999 723 I CA -0.765 60.545 61.300 0.017 0.000 1.163 723 I CB 1.344 39.355 38.000 0.018 0.000 1.316 723 I HN 0.342 nan 8.210 nan 0.000 0.454 724 T N 5.965 120.526 114.554 0.012 0.000 2.771 724 T HA 0.424 4.765 4.350 -0.015 0.000 0.291 724 T C 0.074 174.779 174.700 0.007 0.000 0.954 724 T CA -0.301 61.806 62.100 0.011 0.000 1.045 724 T CB 1.677 70.548 68.868 0.005 0.000 0.917 724 T HN 0.436 nan 8.240 nan 0.000 0.484 725 V N 4.735 124.661 119.914 0.020 0.000 2.357 725 V HA 0.589 4.700 4.120 -0.015 0.000 0.284 725 V C 0.416 176.524 176.094 0.024 0.000 1.018 725 V CA -0.830 61.481 62.300 0.019 0.000 0.841 725 V CB 1.465 33.327 31.823 0.065 0.000 0.991 725 V HN 1.078 nan 8.190 nan 0.000 0.437 726 T N 1.649 116.183 114.554 -0.033 0.000 2.848 726 T HA 0.792 5.133 4.350 -0.015 0.000 0.285 726 T C 0.020 174.636 174.700 -0.141 0.000 0.995 726 T CA -0.401 61.675 62.100 -0.039 0.000 0.970 726 T CB 1.717 70.557 68.868 -0.046 0.000 0.976 726 T HN 0.826 nan 8.240 nan 0.000 0.441 727 G N 0.818 109.566 108.800 -0.087 0.000 2.471 727 G HA2 0.789 4.740 3.960 -0.015 0.000 0.332 727 G HA3 0.789 4.740 3.960 -0.015 0.000 0.332 727 G C -0.927 173.843 174.900 -0.217 0.000 1.176 727 G CA -0.929 43.991 45.100 -0.299 0.000 0.949 727 G HN 1.367 nan 8.290 nan 0.000 0.488 728 A N -0.297 122.258 122.820 -0.443 0.000 2.480 728 A HA 0.876 5.187 4.320 -0.015 0.000 0.289 728 A C 0.295 177.825 177.584 -0.091 0.000 1.044 728 A CA 0.580 52.517 52.037 -0.166 0.000 0.761 728 A CB 0.889 19.790 19.000 -0.166 0.000 1.289 728 A HN 2.552 nan 8.150 nan 0.000 0.401 729 G N 1.233 110.131 108.800 0.163 0.000 2.246 729 G HA2 0.291 4.242 3.960 -0.015 0.000 0.196 729 G HA3 0.291 4.242 3.960 -0.015 0.000 0.196 729 G C -0.368 174.725 174.900 0.323 0.000 1.180 729 G CA 0.254 45.493 45.100 0.232 0.000 1.291 729 G HN 1.506 nan 8.290 nan 0.000 0.508 730 E N 0.283 120.701 120.200 0.364 0.000 2.302 730 E HA 0.671 5.013 4.350 -0.015 0.000 0.263 730 E C -0.541 176.095 176.600 0.059 0.000 0.897 730 E CA -0.055 56.461 56.400 0.192 0.000 0.809 730 E CB 1.237 30.997 29.700 0.101 0.000 1.270 730 E HN 1.611 nan 8.360 nan 0.000 0.410 731 A N 3.637 126.372 122.820 -0.140 0.000 2.574 731 A HA 0.771 5.082 4.320 -0.015 0.000 0.297 731 A C -1.633 175.991 177.584 0.067 0.000 1.062 731 A CA -0.918 50.981 52.037 -0.229 0.000 0.686 731 A CB 1.721 19.994 19.000 -1.213 0.000 1.285 731 A HN 0.355 nan 8.150 nan 0.000 0.403 732 K N 0.887 121.366 120.400 0.131 0.000 2.378 732 K HA 0.606 4.917 4.320 -0.015 0.000 0.252 732 K C -0.267 176.405 176.600 0.119 0.000 0.931 732 K CA -0.413 55.934 56.287 0.100 0.000 0.794 732 K CB 1.059 33.575 32.500 0.027 0.000 1.181 732 K HN 0.757 nan 8.250 nan 0.000 0.425 733 N N 0.738 119.446 118.700 0.014 0.000 2.754 733 N HA -0.170 4.561 4.740 -0.015 0.000 0.248 733 N C -0.673 174.870 175.510 0.056 0.000 1.093 733 N CA 0.867 53.902 53.050 -0.025 0.000 0.699 733 N CB -0.678 37.805 38.487 -0.007 0.000 1.016 733 N HN 0.650 nan 8.380 nan 0.000 0.552 734 W N -0.799 120.519 121.300 0.031 0.000 2.225 734 W HA 0.774 5.425 4.660 -0.015 0.000 0.377 734 W C -0.021 176.572 176.519 0.123 0.000 1.418 734 W CA -0.289 57.115 57.345 0.098 0.000 1.562 734 W CB 0.505 30.127 29.460 0.269 0.000 1.297 734 W HN -0.133 nan 8.180 nan 0.000 0.686 735 T N 2.186 117.088 114.554 0.579 0.000 2.889 735 T HA 0.409 4.751 4.350 -0.015 0.000 0.315 735 T C -1.539 173.443 174.700 0.470 0.000 1.291 735 T CA -0.706 61.573 62.100 0.299 0.000 1.028 735 T CB 1.857 70.804 68.868 0.132 0.000 1.235 735 T HN 0.424 nan 8.240 nan 0.000 0.491 736 L N 2.641 124.025 121.223 0.267 0.000 2.446 736 L HA 0.577 4.909 4.340 -0.015 0.000 0.268 736 L C -0.922 175.967 176.870 0.032 0.000 0.975 736 L CA -0.480 54.498 54.840 0.229 0.000 0.848 736 L CB 0.814 43.064 42.059 0.318 0.000 1.225 736 L HN 0.884 nan 8.230 nan 0.000 0.410 737 C N 6.703 125.932 119.300 -0.119 0.000 2.325 737 C HA 0.441 4.893 4.460 -0.015 0.000 0.347 737 C C 0.542 175.470 174.990 -0.103 0.000 1.263 737 C CA -0.641 58.284 59.018 -0.155 0.000 1.806 737 C CB -0.390 27.159 27.740 -0.318 0.000 2.405 737 C HN 0.718 nan 8.230 nan 0.000 0.537 738 L N 6.724 127.910 121.223 -0.061 0.000 2.328 738 L HA 0.344 4.676 4.340 -0.015 0.000 0.280 738 L C 0.638 177.462 176.870 -0.077 0.000 1.111 738 L CA -0.278 54.526 54.840 -0.060 0.000 0.909 738 L CB -0.430 41.615 42.059 -0.023 0.000 1.277 738 L HN 0.625 nan 8.230 nan 0.000 0.433 739 R N 3.206 123.610 120.500 -0.161 0.000 2.502 739 R HA -0.014 4.317 4.340 -0.015 0.000 0.292 739 R C 0.779 177.041 176.300 -0.062 0.000 0.998 739 R CA 0.482 56.478 56.100 -0.172 0.000 1.056 739 R CB -0.170 29.841 30.300 -0.482 0.000 0.939 739 R HN 0.523 nan 8.270 nan 0.000 0.411 740 N N 1.135 119.829 118.700 -0.010 0.000 2.714 740 N HA -0.186 4.546 4.740 -0.015 0.000 0.250 740 N C -1.345 174.174 175.510 0.014 0.000 1.117 740 N CA 1.139 54.202 53.050 0.021 0.000 0.719 740 N CB -0.702 37.813 38.487 0.046 0.000 1.081 740 N HN 0.195 nan 8.380 nan 0.000 0.557 741 V N 1.443 121.358 119.914 0.003 0.000 2.313 741 V HA 0.192 4.303 4.120 -0.015 0.000 0.278 741 V C 1.593 177.692 176.094 0.008 0.000 1.017 741 V CA -0.364 61.939 62.300 0.005 0.000 0.823 741 V CB 1.600 33.421 31.823 -0.002 0.000 1.010 741 V HN 0.127 nan 8.190 nan 0.000 0.443 742 V N 1.751 121.673 119.914 0.013 0.000 2.649 742 V HA 0.320 4.431 4.120 -0.015 0.000 0.248 742 V C 0.735 176.835 176.094 0.011 0.000 1.054 742 V CA 1.018 63.327 62.300 0.014 0.000 1.073 742 V CB -0.159 31.674 31.823 0.017 0.000 0.699 742 V HN 0.665 nan 8.190 nan 0.000 0.463 743 K N -0.603 119.803 120.400 0.010 0.000 2.523 743 K HA 0.677 4.988 4.320 -0.015 0.000 0.257 743 K C -2.068 174.537 176.600 0.008 0.000 0.932 743 K CA -0.469 55.823 56.287 0.009 0.000 0.812 743 K CB 3.222 35.727 32.500 0.009 0.000 1.326 743 K HN 0.064 nan 8.250 nan 0.000 0.433 744 V N 2.594 122.512 119.914 0.007 0.000 2.914 744 V HA 0.225 4.336 4.120 -0.015 0.000 0.314 744 V C 0.251 176.349 176.094 0.006 0.000 1.084 744 V CA -0.530 61.774 62.300 0.007 0.000 0.963 744 V CB 1.926 33.753 31.823 0.006 0.000 1.025 744 V HN 0.876 nan 8.190 nan 0.000 0.432 745 N N 2.101 120.805 118.700 0.007 0.000 2.415 745 N HA 0.278 5.009 4.740 -0.015 0.000 0.176 745 N C 0.144 175.658 175.510 0.005 0.000 1.042 745 N CA 1.099 54.152 53.050 0.006 0.000 0.902 745 N CB 0.501 38.993 38.487 0.007 0.000 0.986 745 N HN 0.897 nan 8.380 nan 0.000 0.447 746 G N -0.751 108.052 108.800 0.006 0.000 2.632 746 G HA2 0.528 4.479 3.960 -0.015 0.000 0.292 746 G HA3 0.528 4.479 3.960 -0.015 0.000 0.292 746 G C -2.143 172.760 174.900 0.006 0.000 1.465 746 G CA -0.577 44.526 45.100 0.005 0.000 0.824 746 G HN 0.101 nan 8.290 nan 0.000 0.509 747 L N 0.997 122.222 121.223 0.004 0.000 2.845 747 L HA 0.316 4.648 4.340 -0.015 0.000 0.253 747 L C -0.914 175.958 176.870 0.002 0.000 0.959 747 L CA -0.710 54.133 54.840 0.004 0.000 1.001 747 L CB 1.687 43.747 42.059 0.001 0.000 1.374 747 L HN 0.561 nan 8.230 nan 0.000 0.469 748 Q N 2.449 122.252 119.800 0.005 0.000 2.235 748 Q HA 0.317 4.648 4.340 -0.015 0.000 0.250 748 Q C -0.317 175.685 176.000 0.002 0.000 0.909 748 Q CA -0.247 55.558 55.803 0.004 0.000 0.910 748 Q CB 1.624 30.366 28.738 0.007 0.000 1.223 748 Q HN 0.688 nan 8.270 nan 0.000 0.432 749 D N -0.336 120.062 120.400 -0.003 0.000 3.099 749 D HA -0.127 4.504 4.640 -0.015 0.000 0.213 749 D C -0.000 176.284 176.300 -0.026 0.000 1.121 749 D CA 1.523 55.518 54.000 -0.008 0.000 0.951 749 D CB -1.034 39.768 40.800 0.004 0.000 1.102 749 D HN 0.877 nan 8.370 nan 0.000 0.423 750 G N -1.547 107.236 108.800 -0.028 0.000 2.441 750 G HA2 0.549 4.500 3.960 -0.015 0.000 0.294 750 G HA3 0.549 4.500 3.960 -0.015 0.000 0.294 750 G C -0.973 173.906 174.900 -0.035 0.000 1.393 750 G CA -0.118 44.955 45.100 -0.045 0.000 0.796 750 G HN 0.533 nan 8.290 nan 0.000 0.494 751 S N -0.923 114.750 115.700 -0.044 0.000 2.638 751 S HA 0.782 5.243 4.470 -0.015 0.000 0.298 751 S C -0.257 174.328 174.600 -0.026 0.000 1.111 751 S CA -0.570 57.611 58.200 -0.032 0.000 1.027 751 S CB 1.864 65.043 63.200 -0.036 0.000 1.064 751 S HN 1.081 nan 8.310 nan 0.000 0.525 752 Q N 0.135 119.925 119.800 -0.017 0.000 2.399 752 Q HA 0.838 5.169 4.340 -0.015 0.000 0.276 752 Q C -1.289 174.706 176.000 -0.009 0.000 1.098 752 Q CA -1.518 54.278 55.803 -0.011 0.000 0.827 752 Q CB 2.081 30.816 28.738 -0.006 0.000 1.386 752 Q HN 0.986 nan 8.270 nan 0.000 0.443 753 A N 1.227 124.044 122.820 -0.005 0.000 2.594 753 A HA 0.504 4.815 4.320 -0.015 0.000 0.295 753 A C -1.442 176.145 177.584 0.005 0.000 1.071 753 A CA -0.820 51.217 52.037 -0.001 0.000 0.685 753 A CB 1.815 20.814 19.000 -0.002 0.000 1.285 753 A HN 0.790 nan 8.150 nan 0.000 0.405 754 E N 0.676 120.881 120.200 0.009 0.000 2.301 754 E HA 0.520 4.862 4.350 -0.015 0.000 0.275 754 E C 0.158 176.770 176.600 0.020 0.000 1.030 754 E CA -0.031 56.377 56.400 0.014 0.000 0.852 754 E CB 1.314 31.023 29.700 0.015 0.000 1.060 754 E HN 0.746 nan 8.360 nan 0.000 0.401 755 S N 0.662 116.378 115.700 0.027 0.000 2.667 755 S HA 0.163 4.625 4.470 -0.015 0.000 0.292 755 S C 0.863 175.492 174.600 0.049 0.000 1.126 755 S CA -0.823 57.401 58.200 0.040 0.000 0.881 755 S CB 1.687 64.916 63.200 0.048 0.000 1.132 755 S HN 0.728 nan 8.310 nan 0.000 0.492 756 E N 0.472 120.708 120.200 0.061 0.000 2.160 756 E HA -0.217 4.124 4.350 -0.015 0.000 0.195 756 E C 1.469 178.115 176.600 0.076 0.000 0.991 756 E CA 1.506 57.947 56.400 0.068 0.000 0.810 756 E CB -0.220 29.528 29.700 0.079 0.000 0.742 756 E HN 0.749 nan 8.360 nan 0.000 0.466 757 Q N -0.190 119.663 119.800 0.088 0.000 2.424 757 Q HA 0.212 4.543 4.340 -0.015 0.000 0.204 757 Q C 0.592 176.627 176.000 0.058 0.000 0.933 757 Q CA 0.482 56.343 55.803 0.095 0.000 0.929 757 Q CB 1.207 30.030 28.738 0.142 0.000 1.037 757 Q HN 0.325 nan 8.270 nan 0.000 0.511 758 G N 0.640 109.466 108.800 0.044 0.000 2.353 758 G HA2 -0.023 3.928 3.960 -0.015 0.000 0.424 758 G HA3 -0.023 3.928 3.960 -0.015 0.000 0.424 758 G C -1.708 173.199 174.900 0.012 0.000 1.320 758 G CA -1.178 43.934 45.100 0.020 0.000 0.995 758 G HN 0.014 nan 8.290 nan 0.000 0.580 759 L N -0.058 121.167 121.223 0.003 0.000 2.578 759 L HA 0.400 4.731 4.340 -0.015 0.000 0.279 759 L C 0.670 177.536 176.870 -0.007 0.000 1.227 759 L CA 0.357 55.197 54.840 0.001 0.000 0.900 759 L CB 0.907 42.966 42.059 0.001 0.000 1.144 759 L HN 0.543 nan 8.230 nan 0.000 0.496 760 V N 6.230 126.142 119.914 -0.005 0.000 2.334 760 V HA 0.302 4.413 4.120 -0.015 0.000 0.281 760 V C -0.242 175.849 176.094 -0.005 0.000 1.016 760 V CA -0.732 61.562 62.300 -0.010 0.000 0.832 760 V CB 1.564 33.382 31.823 -0.008 0.000 0.999 760 V HN 0.444 nan 8.190 nan 0.000 0.439 761 V N 5.195 125.112 119.914 0.005 0.000 2.383 761 V HA 0.391 4.502 4.120 -0.015 0.000 0.275 761 V C 0.130 176.213 176.094 -0.018 0.000 1.036 761 V CA -0.752 61.548 62.300 0.001 0.000 0.889 761 V CB 1.439 33.273 31.823 0.019 0.000 0.985 761 V HN 0.840 nan 8.190 nan 0.000 0.459 762 K N 8.781 129.143 120.400 -0.063 0.000 2.240 762 K HA 0.507 4.819 4.320 -0.015 0.000 0.271 762 K C -2.513 173.969 176.600 -0.197 0.000 1.018 762 K CA -1.784 54.420 56.287 -0.138 0.000 0.874 762 K CB 1.515 33.948 32.500 -0.112 0.000 1.098 762 K HN 0.387 nan 8.250 nan 0.000 0.458 763 P HA 0.091 nan 4.420 nan 0.000 0.276 763 P C -0.535 176.609 177.300 -0.260 0.000 1.244 763 P CA -0.242 62.657 63.100 -0.335 0.000 0.801 763 P CB 1.281 32.593 31.700 -0.647 0.000 1.006 764 Q N 0.566 120.276 119.800 -0.150 0.000 2.200 764 Q HA 0.173 4.505 4.340 -0.015 0.000 0.197 764 Q C 1.442 177.395 176.000 -0.079 0.000 0.953 764 Q CA 1.302 57.042 55.803 -0.105 0.000 0.851 764 Q CB -0.613 28.090 28.738 -0.058 0.000 0.938 764 Q HN 0.672 nan 8.270 nan 0.000 0.488 765 G N 1.367 110.145 108.800 -0.035 0.000 3.414 765 G HA2 0.218 4.169 3.960 -0.015 0.000 0.189 765 G HA3 0.218 4.169 3.960 -0.015 0.000 0.189 765 G C -0.195 174.782 174.900 0.128 0.000 1.329 765 G CA -0.114 45.006 45.100 0.034 0.000 0.851 765 G HN 0.348 nan 8.290 nan 0.000 0.671 766 N N -0.391 118.430 118.700 0.201 0.000 2.517 766 N HA 0.519 5.250 4.740 -0.015 0.000 0.285 766 N C -0.237 175.390 175.510 0.196 0.000 1.528 766 N CA 0.062 53.310 53.050 0.329 0.000 0.892 766 N CB 1.285 40.036 38.487 0.440 0.000 1.356 766 N HN 0.537 nan 8.380 nan 0.000 0.495 767 A N 0.367 123.266 122.820 0.131 0.000 3.234 767 A HA 0.459 4.770 4.320 -0.015 0.000 0.247 767 A C -0.925 176.695 177.584 0.060 0.000 0.938 767 A CA -0.444 51.640 52.037 0.079 0.000 1.039 767 A CB -0.102 18.932 19.000 0.057 0.000 1.197 767 A HN 0.116 nan 8.150 nan 0.000 0.498 768 L N -0.282 120.986 121.223 0.075 0.000 2.416 768 L HA 0.872 5.203 4.340 -0.015 0.000 0.262 768 L C 0.665 177.560 176.870 0.043 0.000 1.093 768 L CA -0.307 54.564 54.840 0.052 0.000 0.801 768 L CB 0.662 42.755 42.059 0.058 0.000 1.191 768 L HN 0.311 nan 8.230 nan 0.000 0.459 769 T N 0.629 115.201 114.554 0.030 0.000 3.105 769 T HA 0.727 5.068 4.350 -0.015 0.000 0.321 769 T C -1.004 173.707 174.700 0.019 0.000 1.135 769 T CA -0.345 61.769 62.100 0.024 0.000 1.053 769 T CB 0.544 69.422 68.868 0.018 0.000 1.133 769 T HN 0.354 nan 8.240 nan 0.000 0.463 770 I N 3.304 123.886 120.570 0.020 0.000 2.525 770 I HA 0.544 4.706 4.170 -0.015 0.000 0.301 770 I C 0.143 176.268 176.117 0.013 0.000 0.992 770 I CA -0.681 60.628 61.300 0.016 0.000 1.162 770 I CB 2.490 40.501 38.000 0.018 0.000 1.332 770 I HN 0.595 nan 8.210 nan 0.000 0.458 771 T N 5.946 120.506 114.554 0.011 0.000 2.840 771 T HA 0.557 4.898 4.350 -0.015 0.000 0.287 771 T C -0.197 174.509 174.700 0.010 0.000 0.991 771 T CA -0.563 61.543 62.100 0.010 0.000 0.964 771 T CB 0.767 69.641 68.868 0.009 0.000 0.954 771 T HN 0.236 nan 8.240 nan 0.000 0.438 772 L N 2.191 123.420 121.223 0.010 0.000 2.456 772 L HA 0.595 4.926 4.340 -0.015 0.000 0.257 772 L C 1.700 178.576 176.870 0.010 0.000 1.162 772 L CA -1.039 53.807 54.840 0.010 0.000 0.808 772 L CB 0.014 42.080 42.059 0.011 0.000 1.136 772 L HN 0.929 nan 8.230 nan 0.000 0.466 773 H N 0.000 119.076 119.070 0.009 0.000 2.539 773 H HA 0.000 4.547 4.556 -0.015 0.000 0.296 773 H CA 0.000 56.054 56.048 0.009 0.000 1.023 773 H CB 0.000 29.767 29.762 0.009 0.000 1.292 773 H HN 0.000 nan 8.280 nan 0.000 0.496