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 2o61_1_A DATA FIRST_RESID 19 DATA SEQUENCE GYVEIIEQPK QRGMRFRYKC EGRSAGSIPG ERSTDTTKTH PTIKINGYTG DATA SEQUENCE PGTVRISLVT KDPPHRPHPH ELVGKDCRDG FYEAELCPDR CIHSFQNLGI DATA SEQUENCE QCVKKRDLEQ AISQRIQTNN NPFQVPIEEQ RGDYDLNAVR LCFQVTVRDP DATA SEQUENCE SGRPLRLPPV LSHPIFDNRA PNTAELKICR VNRNSGSCLG GDEIFLLCDK DATA SEQUENCE VQKEDIEVYF TGPGWEARGS FSQADVHRQV AIVFRTPPYA DPSLQAPVRV DATA SEQUENCE SMQLRRPSDR ELSEPMEFQY LPDXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 G HA2 0.000 nan 3.960 nan 0.000 0.244 19 G HA3 0.000 4.050 3.960 0.151 0.000 0.244 19 G C 0.000 175.010 174.900 0.184 0.000 0.946 19 G CA 0.000 45.162 45.100 0.103 0.000 0.502 20 Y N -2.166 118.140 120.300 0.010 0.000 2.573 20 Y HA 0.653 5.293 4.550 0.150 0.000 0.328 20 Y C -0.965 174.930 175.900 -0.009 0.000 1.170 20 Y CA -1.488 56.608 58.100 -0.006 0.000 1.078 20 Y CB 0.661 39.120 38.460 -0.001 0.000 1.341 20 Y HN 0.613 nan 8.280 nan 0.000 0.459 21 V N 3.074 123.074 119.914 0.143 0.000 2.649 21 V HA 0.373 4.583 4.120 0.151 0.000 0.292 21 V C -0.156 176.012 176.094 0.123 0.000 1.055 21 V CA -0.175 62.150 62.300 0.042 0.000 1.023 21 V CB 1.328 33.156 31.823 0.007 0.000 0.992 21 V HN 0.822 nan 8.190 nan 0.000 0.480 22 E N 3.884 124.088 120.200 0.007 0.000 2.275 22 E HA 0.453 4.893 4.350 0.151 0.000 0.270 22 E C -1.377 175.170 176.600 -0.088 0.000 0.882 22 E CA -0.768 55.651 56.400 0.031 0.000 0.758 22 E CB 1.787 31.537 29.700 0.082 0.000 1.195 22 E HN 0.619 nan 8.360 nan 0.000 0.419 23 I N 5.887 126.387 120.570 -0.117 0.000 2.416 23 I HA 0.061 4.321 4.170 0.151 0.000 0.288 23 I C 0.889 176.947 176.117 -0.097 0.000 1.051 23 I CA -0.309 60.881 61.300 -0.183 0.000 1.375 23 I CB 0.793 38.676 38.000 -0.194 0.000 1.407 23 I HN 0.649 nan 8.210 nan 0.000 0.516 24 I N 3.639 124.161 120.570 -0.080 0.000 3.526 24 I HA 0.150 4.411 4.170 0.151 0.000 0.294 24 I C 0.680 176.778 176.117 -0.031 0.000 1.229 24 I CA 0.720 61.995 61.300 -0.041 0.000 1.408 24 I CB -0.668 37.315 38.000 -0.029 0.000 1.127 24 I HN 0.512 nan 8.210 nan 0.000 0.439 25 E N 2.001 122.182 120.200 -0.031 0.000 2.279 25 E HA 0.284 4.724 4.350 0.151 0.000 0.252 25 E C -0.558 176.035 176.600 -0.011 0.000 0.894 25 E CA -0.330 56.064 56.400 -0.009 0.000 0.785 25 E CB 1.009 30.719 29.700 0.016 0.000 1.237 25 E HN 0.006 nan 8.360 nan 0.000 0.418 26 Q N 4.112 123.889 119.800 -0.040 0.000 2.368 26 Q HA 0.334 4.764 4.340 0.151 0.000 0.237 26 Q C -2.020 173.995 176.000 0.025 0.000 0.987 26 Q CA -1.707 54.061 55.803 -0.059 0.000 0.896 26 Q CB 0.710 29.346 28.738 -0.170 0.000 1.241 26 Q HN 0.490 nan 8.270 nan 0.000 0.485 27 P HA 0.112 nan 4.420 nan 0.000 0.282 27 P C -0.326 177.026 177.300 0.087 0.000 1.249 27 P CA -0.409 62.734 63.100 0.073 0.000 0.806 27 P CB 0.922 32.664 31.700 0.069 0.000 0.984 28 K N 2.654 123.102 120.400 0.080 0.000 2.484 28 K HA -0.055 4.356 4.320 0.151 0.000 0.280 28 K C 1.470 178.146 176.600 0.127 0.000 1.013 28 K CA 0.594 56.938 56.287 0.095 0.000 1.029 28 K CB 0.468 33.011 32.500 0.072 0.000 0.902 28 K HN 0.468 nan 8.250 nan 0.000 0.481 29 Q N 2.330 122.228 119.800 0.164 0.000 2.033 29 Q HA -0.094 4.337 4.340 0.151 0.000 0.196 29 Q C 0.293 176.462 176.000 0.282 0.000 0.970 29 Q CA 1.264 57.207 55.803 0.234 0.000 0.828 29 Q CB 0.130 29.047 28.738 0.299 0.000 0.895 29 Q HN 0.315 nan 8.270 nan 0.000 0.440 30 R N -1.842 118.778 120.500 0.200 0.000 2.758 30 R HA 0.465 4.895 4.340 0.151 0.000 0.265 30 R C 0.382 176.739 176.300 0.096 0.000 1.016 30 R CA 0.599 56.789 56.100 0.149 0.000 1.040 30 R CB 1.484 31.826 30.300 0.070 0.000 1.152 30 R HN 0.314 nan 8.270 nan 0.000 0.503 31 G N 0.026 108.866 108.800 0.068 0.000 2.284 31 G HA2 -0.233 3.818 3.960 0.151 0.000 0.216 31 G HA3 -0.233 3.818 3.960 0.151 0.000 0.216 31 G C -0.110 174.823 174.900 0.055 0.000 1.009 31 G CA 0.091 45.221 45.100 0.050 0.000 0.625 31 G HN 0.462 nan 8.290 nan 0.000 0.501 32 M N 2.718 122.366 119.600 0.080 0.000 2.268 32 M HA 0.603 5.173 4.480 0.151 0.000 0.344 32 M C 0.591 176.954 176.300 0.105 0.000 1.106 32 M CA -0.884 54.472 55.300 0.093 0.000 1.010 32 M CB 0.948 33.616 32.600 0.113 0.000 1.649 32 M HN 0.427 nan 8.290 nan 0.000 0.443 33 R N 4.338 124.890 120.500 0.088 0.000 2.500 33 R HA 0.507 4.937 4.340 0.151 0.000 0.277 33 R C -1.176 175.252 176.300 0.213 0.000 1.026 33 R CA -0.566 55.576 56.100 0.069 0.000 1.058 33 R CB 0.788 31.110 30.300 0.037 0.000 1.078 33 R HN 0.610 nan 8.270 nan 0.000 0.509 34 F N 0.711 120.612 119.950 -0.083 0.000 2.403 34 F HA 0.339 4.954 4.527 0.147 0.000 0.320 34 F C 1.130 176.827 175.800 -0.172 0.000 1.176 34 F CA -0.952 56.941 58.000 -0.178 0.000 1.206 34 F CB 0.914 39.722 39.000 -0.320 0.000 1.235 34 F HN 0.224 nan 8.300 nan 0.000 0.565 35 R N 1.181 121.669 120.500 -0.020 0.000 2.670 35 R HA 0.330 4.760 4.340 0.151 0.000 0.289 35 R C -1.510 174.723 176.300 -0.111 0.000 0.965 35 R CA -1.041 55.050 56.100 -0.015 0.000 0.899 35 R CB 1.818 32.131 30.300 0.023 0.000 1.173 35 R HN 0.506 nan 8.270 nan 0.000 0.456 36 Y N 1.335 121.639 120.300 0.006 0.000 2.301 36 Y HA 0.113 4.755 4.550 0.152 0.000 0.325 36 Y C 1.889 177.787 175.900 -0.003 0.000 1.203 36 Y CA -0.027 58.073 58.100 0.001 0.000 1.255 36 Y CB 1.196 39.664 38.460 0.013 0.000 1.232 36 Y HN 0.534 nan 8.280 nan 0.000 0.501 37 K N 1.194 121.681 120.400 0.144 0.000 2.127 37 K HA -0.271 4.140 4.320 0.151 0.000 0.208 37 K C 1.949 178.599 176.600 0.083 0.000 1.047 37 K CA 2.217 58.552 56.287 0.080 0.000 0.927 37 K CB -0.427 32.112 32.500 0.065 0.000 0.716 37 K HN 0.983 nan 8.250 nan 0.000 0.450 38 C N 0.198 119.562 119.300 0.107 0.000 2.410 38 C HA -0.043 4.507 4.460 0.151 0.000 0.281 38 C C 1.941 176.966 174.990 0.057 0.000 1.318 38 C CA 0.920 59.975 59.018 0.063 0.000 1.776 38 C CB -0.861 26.898 27.740 0.032 0.000 1.942 38 C HN 0.457 nan 8.230 nan 0.000 0.508 39 E N 0.938 121.190 120.200 0.087 0.000 2.170 39 E HA 0.243 4.683 4.350 0.151 0.000 0.191 39 E C 2.248 178.877 176.600 0.049 0.000 0.981 39 E CA 0.541 56.982 56.400 0.068 0.000 0.830 39 E CB -0.382 29.375 29.700 0.095 0.000 0.775 39 E HN 0.781 nan 8.360 nan 0.000 0.470 40 G N 2.439 111.268 108.800 0.048 0.000 2.693 40 G HA2 -0.503 3.548 3.960 0.151 0.000 0.354 40 G HA3 -0.503 3.548 3.960 0.151 0.000 0.354 40 G C 0.427 175.342 174.900 0.024 0.000 1.207 40 G CA 1.201 46.318 45.100 0.028 0.000 0.958 40 G HN 0.469 nan 8.290 nan 0.000 0.560 41 R N -1.273 119.238 120.500 0.019 0.000 3.465 41 R HA -0.170 4.260 4.340 0.151 0.000 0.615 41 R C 0.410 176.720 176.300 0.017 0.000 0.241 41 R CA 1.276 57.387 56.100 0.018 0.000 1.893 41 R CB -1.332 28.981 30.300 0.021 0.000 0.874 41 R HN 1.427 nan 8.270 nan 0.000 0.619 42 S N -0.265 115.445 115.700 0.018 0.000 2.400 42 S HA 0.560 5.121 4.470 0.151 0.000 0.295 42 S C -0.241 174.373 174.600 0.024 0.000 1.113 42 S CA 0.149 58.360 58.200 0.019 0.000 1.064 42 S CB 0.808 64.019 63.200 0.018 0.000 0.990 42 S HN 0.657 nan 8.310 nan 0.000 0.502 43 A N 4.642 127.476 122.820 0.024 0.000 3.113 43 A HA 0.669 5.079 4.320 0.151 0.000 0.307 43 A C 1.019 178.622 177.584 0.032 0.000 1.025 43 A CA -0.114 51.940 52.037 0.029 0.000 1.012 43 A CB -0.754 18.263 19.000 0.028 0.000 1.085 43 A HN 1.526 nan 8.150 nan 0.000 0.519 44 G N 0.828 109.650 108.800 0.036 0.000 2.625 44 G HA2 0.053 4.103 3.960 0.151 0.000 0.311 44 G HA3 0.053 4.103 3.960 0.151 0.000 0.311 44 G C 0.269 175.196 174.900 0.046 0.000 1.324 44 G CA 0.402 45.529 45.100 0.046 0.000 0.918 44 G HN 2.198 nan 8.290 nan 0.000 0.556 45 S N -1.923 113.817 115.700 0.066 0.000 2.607 45 S HA 0.663 5.224 4.470 0.151 0.000 0.273 45 S C -0.133 174.521 174.600 0.089 0.000 1.148 45 S CA -0.564 57.678 58.200 0.069 0.000 0.833 45 S CB 1.519 64.768 63.200 0.081 0.000 1.130 45 S HN 1.159 nan 8.310 nan 0.000 0.470 46 I N 2.247 122.861 120.570 0.073 0.000 2.769 46 I HA 0.149 4.410 4.170 0.151 0.000 0.285 46 I C -2.194 173.988 176.117 0.110 0.000 1.173 46 I CA -1.035 60.309 61.300 0.075 0.000 1.389 46 I CB -0.430 37.594 38.000 0.041 0.000 1.404 46 I HN 0.427 nan 8.210 nan 0.000 0.544 47 P HA 0.181 nan 4.420 nan 0.000 0.274 47 P C 0.070 177.380 177.300 0.016 0.000 1.256 47 P CA -0.360 62.753 63.100 0.021 0.000 0.795 47 P CB 0.687 32.392 31.700 0.009 0.000 1.038 48 G N -0.469 108.303 108.800 -0.047 0.000 2.389 48 G HA2 0.134 4.184 3.960 0.151 0.000 0.317 48 G HA3 0.134 4.184 3.960 0.151 0.000 0.317 48 G C 0.675 175.576 174.900 0.002 0.000 1.137 48 G CA -0.318 44.777 45.100 -0.009 0.000 0.870 48 G HN 0.558 nan 8.290 nan 0.000 0.496 49 E N 0.705 120.923 120.200 0.030 0.000 2.257 49 E HA -0.297 4.144 4.350 0.151 0.000 0.229 49 E C 1.861 178.480 176.600 0.032 0.000 1.089 49 E CA 1.680 58.109 56.400 0.048 0.000 0.947 49 E CB 0.023 29.755 29.700 0.054 0.000 0.808 49 E HN 0.526 nan 8.360 nan 0.000 0.471 50 R N 0.372 120.879 120.500 0.012 0.000 2.335 50 R HA 0.153 4.583 4.340 0.151 0.000 0.223 50 R C 0.082 176.375 176.300 -0.011 0.000 0.940 50 R CA -0.320 55.783 56.100 0.005 0.000 1.086 50 R CB 0.482 30.784 30.300 0.003 0.000 1.073 50 R HN -0.045 nan 8.270 nan 0.000 0.504 51 S N 1.170 116.857 115.700 -0.022 0.000 2.562 51 S HA 0.086 4.646 4.470 0.151 0.000 0.281 51 S C 0.713 175.305 174.600 -0.014 0.000 1.333 51 S CA -0.094 58.084 58.200 -0.037 0.000 1.052 51 S CB 1.199 64.365 63.200 -0.056 0.000 0.884 51 S HN 0.361 nan 8.310 nan 0.000 0.506 52 T N -0.951 113.595 114.554 -0.014 0.000 2.883 52 T HA 0.404 4.845 4.350 0.151 0.000 0.284 52 T C 0.408 175.107 174.700 -0.000 0.000 1.041 52 T CA -0.839 61.259 62.100 -0.002 0.000 1.007 52 T CB 0.879 69.746 68.868 -0.000 0.000 1.220 52 T HN 0.336 nan 8.240 nan 0.000 0.552 53 D N 0.731 121.134 120.400 0.005 0.000 2.178 53 D HA -0.070 4.660 4.640 0.151 0.000 0.202 53 D C 2.197 178.501 176.300 0.007 0.000 0.974 53 D CA 2.078 56.083 54.000 0.008 0.000 0.841 53 D CB -0.163 40.643 40.800 0.010 0.000 0.953 53 D HN 0.831 nan 8.370 nan 0.000 0.478 54 T N -2.614 111.943 114.554 0.005 0.000 3.035 54 T HA 0.029 4.469 4.350 0.151 0.000 0.259 54 T C 0.837 175.539 174.700 0.003 0.000 1.078 54 T CA 0.304 62.408 62.100 0.006 0.000 1.132 54 T CB 0.368 69.239 68.868 0.006 0.000 0.900 54 T HN -0.205 nan 8.240 nan 0.000 0.480 55 T N 1.832 116.384 114.554 -0.004 0.000 2.965 55 T HA 0.453 4.893 4.350 0.151 0.000 0.306 55 T C -1.039 173.639 174.700 -0.037 0.000 0.991 55 T CA -0.766 61.326 62.100 -0.012 0.000 1.001 55 T CB 2.106 70.968 68.868 -0.010 0.000 0.984 55 T HN 0.261 nan 8.240 nan 0.000 0.446 56 K N 2.756 123.124 120.400 -0.053 0.000 2.172 56 K HA 0.620 5.030 4.320 0.151 0.000 0.276 56 K C 0.338 176.771 176.600 -0.279 0.000 1.013 56 K CA -0.436 55.768 56.287 -0.138 0.000 0.913 56 K CB 0.745 33.184 32.500 -0.101 0.000 1.055 56 K HN 0.721 nan 8.250 nan 0.000 0.461 57 T N 0.308 114.636 114.554 -0.376 0.000 2.927 57 T HA 0.501 4.941 4.350 0.151 0.000 0.286 57 T C -0.699 173.575 174.700 -0.710 0.000 1.040 57 T CA -0.763 61.099 62.100 -0.398 0.000 1.010 57 T CB 1.127 69.909 68.868 -0.144 0.000 1.177 57 T HN 0.706 nan 8.240 nan 0.000 0.546 58 H N -0.958 118.134 119.070 0.037 0.000 2.928 58 H HA 0.548 5.194 4.556 0.150 0.000 0.371 58 H C -2.900 172.479 175.328 0.085 0.000 1.186 58 H CA -2.002 54.082 56.048 0.060 0.000 1.134 58 H CB 1.385 31.183 29.762 0.059 0.000 1.824 58 H HN 0.433 nan 8.280 nan 0.000 0.554 59 P HA 0.034 nan 4.420 nan 0.000 0.262 59 P C -0.889 176.594 177.300 0.305 0.000 1.182 59 P CA 0.484 63.734 63.100 0.249 0.000 0.761 59 P CB 0.482 32.357 31.700 0.291 0.000 0.795 60 T N 3.804 118.458 114.554 0.167 0.000 2.971 60 T HA 0.628 5.069 4.350 0.151 0.000 0.304 60 T C -0.042 174.654 174.700 -0.006 0.000 1.038 60 T CA -0.576 61.591 62.100 0.111 0.000 1.007 60 T CB 0.723 69.614 68.868 0.038 0.000 1.055 60 T HN 0.293 nan 8.240 nan 0.000 0.451 61 I N -0.591 119.993 120.570 0.024 0.000 2.797 61 I HA 0.843 5.103 4.170 0.151 0.000 0.307 61 I C -0.724 175.403 176.117 0.016 0.000 1.033 61 I CA -1.109 60.135 61.300 -0.094 0.000 1.071 61 I CB 2.141 40.007 38.000 -0.224 0.000 1.255 61 I HN 0.459 nan 8.210 nan 0.000 0.445 62 K N 4.752 125.140 120.400 -0.020 0.000 2.397 62 K HA 0.590 5.000 4.320 0.151 0.000 0.253 62 K C -1.520 175.064 176.600 -0.027 0.000 0.932 62 K CA -0.670 55.621 56.287 0.006 0.000 0.795 62 K CB 1.965 34.441 32.500 -0.039 0.000 1.159 62 K HN 0.769 nan 8.250 nan 0.000 0.424 63 I N 4.556 125.141 120.570 0.024 0.000 2.313 63 I HA 0.134 4.394 4.170 0.151 0.000 0.286 63 I C -0.134 175.921 176.117 -0.103 0.000 1.091 63 I CA -0.731 60.547 61.300 -0.037 0.000 1.216 63 I CB 0.656 38.688 38.000 0.053 0.000 1.434 63 I HN 0.504 nan 8.210 nan 0.000 0.487 64 N N 4.911 123.414 118.700 -0.329 0.000 2.454 64 N HA 0.045 4.876 4.740 0.151 0.000 0.260 64 N C 1.062 176.433 175.510 -0.232 0.000 1.218 64 N CA 0.936 53.748 53.050 -0.397 0.000 0.904 64 N CB 1.210 39.145 38.487 -0.921 0.000 1.065 64 N HN 0.926 nan 8.380 nan 0.000 0.462 65 G N 1.318 110.066 108.800 -0.085 0.000 2.182 65 G HA2 -0.289 3.762 3.960 0.151 0.000 0.248 65 G HA3 -0.289 3.762 3.960 0.151 0.000 0.248 65 G C -0.644 174.333 174.900 0.129 0.000 1.042 65 G CA 0.421 45.529 45.100 0.012 0.000 0.775 65 G HN 0.731 nan 8.290 nan 0.000 0.501 66 Y N -1.033 119.240 120.300 -0.045 0.000 2.527 66 Y HA 0.465 5.106 4.550 0.153 0.000 0.328 66 Y C -0.974 174.927 175.900 0.001 0.000 1.216 66 Y CA -0.132 57.957 58.100 -0.018 0.000 1.152 66 Y CB 1.021 39.471 38.460 -0.016 0.000 1.342 66 Y HN 0.421 nan 8.280 nan 0.000 0.465 67 T N 4.272 118.530 114.554 -0.493 0.000 3.355 67 T HA 0.730 5.171 4.350 0.151 0.000 0.324 67 T C -0.437 174.008 174.700 -0.426 0.000 0.932 67 T CA -0.197 61.773 62.100 -0.218 0.000 1.032 67 T CB 0.882 69.671 68.868 -0.130 0.000 1.027 67 T HN 1.217 nan 8.240 nan 0.000 0.456 68 G N 3.622 112.344 108.800 -0.131 0.000 2.321 68 G HA2 0.627 4.677 3.960 0.151 0.000 0.296 68 G HA3 0.627 4.677 3.960 0.151 0.000 0.296 68 G C -3.193 171.857 174.900 0.250 0.000 1.287 68 G CA -0.864 44.210 45.100 -0.044 0.000 0.846 68 G HN 0.458 nan 8.290 nan 0.000 0.508 69 P HA 0.440 nan 4.420 nan 0.000 0.270 69 P C 0.472 177.896 177.300 0.207 0.000 1.221 69 P CA 1.356 64.558 63.100 0.170 0.000 0.788 69 P CB 1.111 32.880 31.700 0.116 0.000 0.904 70 G N -0.721 108.143 108.800 0.107 0.000 2.327 70 G HA2 0.423 4.473 3.960 0.151 0.000 0.291 70 G HA3 0.423 4.473 3.960 0.151 0.000 0.291 70 G C -1.707 173.206 174.900 0.022 0.000 1.290 70 G CA -0.467 44.652 45.100 0.032 0.000 0.857 70 G HN 0.612 nan 8.290 nan 0.000 0.520 71 T N -0.975 113.573 114.554 -0.010 0.000 2.883 71 T HA 0.684 5.125 4.350 0.151 0.000 0.301 71 T C -1.262 173.454 174.700 0.027 0.000 1.158 71 T CA -0.409 61.702 62.100 0.019 0.000 1.007 71 T CB 2.131 71.005 68.868 0.011 0.000 1.186 71 T HN 1.062 nan 8.240 nan 0.000 0.499 72 V N 2.282 122.258 119.914 0.103 0.000 2.569 72 V HA 0.582 4.792 4.120 0.151 0.000 0.301 72 V C -0.384 175.838 176.094 0.213 0.000 1.044 72 V CA -0.886 61.510 62.300 0.161 0.000 0.874 72 V CB 1.850 33.846 31.823 0.289 0.000 1.002 72 V HN 0.757 nan 8.190 nan 0.000 0.424 73 R N 5.253 125.816 120.500 0.106 0.000 2.387 73 R HA 0.757 5.187 4.340 0.151 0.000 0.314 73 R C -1.477 174.814 176.300 -0.015 0.000 0.958 73 R CA -0.567 55.587 56.100 0.090 0.000 0.846 73 R CB 1.327 31.574 30.300 -0.088 0.000 1.147 73 R HN 0.720 nan 8.270 nan 0.000 0.447 74 I N 4.288 124.859 120.570 0.002 0.000 2.382 74 I HA 0.264 4.525 4.170 0.151 0.000 0.286 74 I C -0.162 175.850 176.117 -0.174 0.000 1.002 74 I CA -0.546 60.546 61.300 -0.347 0.000 1.135 74 I CB 1.894 39.471 38.000 -0.705 0.000 1.288 74 I HN 0.764 nan 8.210 nan 0.000 0.448 75 S N 6.378 121.947 115.700 -0.219 0.000 2.751 75 S HA 0.756 5.316 4.470 0.151 0.000 0.310 75 S C -0.933 173.588 174.600 -0.132 0.000 1.128 75 S CA -0.872 57.272 58.200 -0.093 0.000 0.931 75 S CB 2.026 65.175 63.200 -0.084 0.000 1.177 75 S HN 0.293 nan 8.310 nan 0.000 0.530 76 L N 1.699 122.886 121.223 -0.060 0.000 2.317 76 L HA 0.772 5.202 4.340 0.151 0.000 0.281 76 L C -0.252 176.640 176.870 0.037 0.000 1.024 76 L CA -0.453 54.349 54.840 -0.063 0.000 0.810 76 L CB 1.370 43.374 42.059 -0.092 0.000 1.240 76 L HN 0.841 nan 8.230 nan 0.000 0.427 77 V N -0.841 119.111 119.914 0.062 0.000 3.130 77 V HA 0.651 4.862 4.120 0.151 0.000 0.310 77 V C 0.123 176.343 176.094 0.210 0.000 1.158 77 V CA -0.834 61.559 62.300 0.156 0.000 1.029 77 V CB 1.553 33.483 31.823 0.177 0.000 1.057 77 V HN 0.658 nan 8.190 nan 0.000 0.436 78 T N 1.747 116.446 114.554 0.241 0.000 2.946 78 T HA 0.058 4.499 4.350 0.151 0.000 0.312 78 T C 1.098 175.943 174.700 0.242 0.000 1.066 78 T CA 1.013 63.258 62.100 0.242 0.000 1.138 78 T CB 0.612 69.554 68.868 0.123 0.000 1.014 78 T HN 1.008 nan 8.240 nan 0.000 0.544 79 K N 1.591 122.100 120.400 0.182 0.000 2.097 79 K HA -0.094 4.317 4.320 0.151 0.000 0.205 79 K C 0.126 176.825 176.600 0.165 0.000 1.050 79 K CA 1.139 57.514 56.287 0.146 0.000 0.938 79 K CB 0.214 32.766 32.500 0.086 0.000 0.718 79 K HN 0.522 nan 8.250 nan 0.000 0.442 80 D N -0.072 120.339 120.400 0.018 0.000 2.253 80 D HA 0.133 4.863 4.640 0.151 0.000 0.249 80 D C -1.798 174.180 176.300 -0.536 0.000 1.049 80 D CA -2.212 51.710 54.000 -0.130 0.000 0.929 80 D CB 1.207 41.958 40.800 -0.083 0.000 1.176 80 D HN -0.181 nan 8.370 nan 0.000 0.437 81 P HA -0.220 nan 4.420 nan 0.000 0.229 81 P C -1.961 174.907 177.300 -0.719 0.000 1.073 81 P CA 2.014 64.724 63.100 -0.650 0.000 1.022 81 P CB -0.856 30.685 31.700 -0.265 0.000 0.752 82 P HA 0.012 nan 4.420 nan 0.000 0.256 82 P C -0.537 176.558 177.300 -0.341 0.000 1.688 82 P CA 0.358 63.275 63.100 -0.305 0.000 1.162 82 P CB -0.811 30.777 31.700 -0.186 0.000 1.870 83 H N 3.445 122.356 119.070 -0.266 0.000 4.417 83 H HA 0.044 4.690 4.556 0.150 0.000 0.193 83 H C 0.832 176.088 175.328 -0.120 0.000 1.400 83 H CA 0.453 56.314 56.048 -0.311 0.000 1.460 83 H CB -0.501 28.785 29.762 -0.794 0.000 1.732 83 H HN 0.246 nan 8.280 nan 0.000 0.807 84 R N 1.436 121.965 120.500 0.048 0.000 2.679 84 R HA 0.160 4.591 4.340 0.151 0.000 0.269 84 R C -2.338 174.052 176.300 0.150 0.000 1.076 84 R CA -1.659 54.511 56.100 0.118 0.000 1.160 84 R CB -0.161 30.221 30.300 0.138 0.000 1.054 84 R HN 0.186 nan 8.270 nan 0.000 0.507 85 P HA -0.060 nan 4.420 nan 0.000 0.271 85 P C -0.752 176.560 177.300 0.021 0.000 1.233 85 P CA 0.407 63.557 63.100 0.085 0.000 0.764 85 P CB 0.362 32.093 31.700 0.053 0.000 0.825 86 H N 7.188 126.223 119.070 -0.058 0.000 2.707 86 H HA 0.061 4.722 4.556 0.175 0.000 0.359 86 H C -1.286 173.875 175.328 -0.278 0.000 1.113 86 H CA -1.491 54.451 56.048 -0.177 0.000 1.422 86 H CB 0.909 30.598 29.762 -0.122 0.000 1.443 86 H HN 0.322 nan 8.280 nan 0.000 0.591 87 P HA -0.093 nan 4.420 nan 0.000 0.221 87 P C 0.279 177.594 177.300 0.026 0.000 1.150 87 P CA 0.867 63.806 63.100 -0.269 0.000 0.800 87 P CB 0.463 31.858 31.700 -0.508 0.000 0.787 88 H N 1.370 120.581 119.070 0.234 0.000 2.703 88 H HA 0.192 4.848 4.556 0.166 0.000 0.377 88 H C 1.030 176.313 175.328 -0.075 0.000 1.392 88 H CA 0.186 56.223 56.048 -0.019 0.000 1.458 88 H CB 0.217 29.846 29.762 -0.221 0.000 1.529 88 H HN 0.303 nan 8.280 nan 0.000 0.619 89 E N 0.452 120.659 120.200 0.012 0.000 2.340 89 E HA 0.329 4.770 4.350 0.151 0.000 0.273 89 E C -1.184 175.360 176.600 -0.094 0.000 0.891 89 E CA -1.068 55.310 56.400 -0.035 0.000 0.757 89 E CB 1.749 31.436 29.700 -0.021 0.000 1.231 89 E HN 0.047 nan 8.360 nan 0.000 0.439 90 L N 2.059 123.238 121.223 -0.072 0.000 2.397 90 L HA 0.359 4.790 4.340 0.151 0.000 0.271 90 L C -0.060 176.776 176.870 -0.057 0.000 1.148 90 L CA -0.410 54.385 54.840 -0.075 0.000 0.825 90 L CB 1.131 43.172 42.059 -0.030 0.000 1.117 90 L HN 0.596 nan 8.230 nan 0.000 0.456 91 V N 0.299 120.183 119.914 -0.050 0.000 2.888 91 V HA 1.088 5.298 4.120 0.151 0.000 0.309 91 V C -0.156 175.936 176.094 -0.002 0.000 1.114 91 V CA -0.024 62.255 62.300 -0.036 0.000 0.940 91 V CB 1.341 33.135 31.823 -0.047 0.000 1.021 91 V HN 1.105 nan 8.190 nan 0.000 0.426 92 G N 1.801 110.607 108.800 0.009 0.000 2.359 92 G HA2 0.164 4.214 3.960 0.151 0.000 0.303 92 G HA3 0.164 4.214 3.960 0.151 0.000 0.303 92 G C -0.744 174.186 174.900 0.049 0.000 1.293 92 G CA -0.520 44.601 45.100 0.035 0.000 0.964 92 G HN 1.267 nan 8.290 nan 0.000 0.531 93 K N 0.503 120.942 120.400 0.066 0.000 2.511 93 K HA 0.169 4.579 4.320 0.151 0.000 0.277 93 K C 0.103 176.729 176.600 0.043 0.000 1.025 93 K CA 1.463 57.783 56.287 0.056 0.000 1.112 93 K CB -0.080 32.468 32.500 0.080 0.000 0.859 93 K HN 0.589 nan 8.250 nan 0.000 0.485 94 D N 1.403 121.760 120.400 -0.072 0.000 2.981 94 D HA -0.178 4.553 4.640 0.151 0.000 0.223 94 D C -0.923 175.208 176.300 -0.282 0.000 1.151 94 D CA 0.830 54.691 54.000 -0.231 0.000 0.827 94 D CB -1.682 38.858 40.800 -0.433 0.000 1.101 94 D HN 0.405 nan 8.370 nan 0.000 0.426 95 C N 0.729 119.943 119.300 -0.144 0.000 2.355 95 C HA 0.799 5.350 4.460 0.151 0.000 0.332 95 C C 0.756 175.607 174.990 -0.232 0.000 1.255 95 C CA -0.649 58.276 59.018 -0.156 0.000 1.792 95 C CB 1.236 28.948 27.740 -0.047 0.000 2.300 95 C HN 0.392 nan 8.230 nan 0.000 0.515 96 R N 1.076 121.338 120.500 -0.398 0.000 2.680 96 R HA 0.476 4.906 4.340 0.151 0.000 0.269 96 R C -0.724 175.239 176.300 -0.562 0.000 1.026 96 R CA -0.514 55.348 56.100 -0.397 0.000 0.889 96 R CB 0.445 30.525 30.300 -0.367 0.000 1.241 96 R HN 0.602 nan 8.270 nan 0.000 0.463 97 D N 1.032 121.234 120.400 -0.330 0.000 2.782 97 D HA -0.249 4.481 4.640 0.151 0.000 0.231 97 D C 0.858 177.046 176.300 -0.185 0.000 1.163 97 D CA 2.244 56.105 54.000 -0.231 0.000 0.680 97 D CB -0.962 39.734 40.800 -0.173 0.000 1.062 97 D HN 1.123 nan 8.370 nan 0.000 0.425 98 G N -0.782 107.910 108.800 -0.181 0.000 2.217 98 G HA2 -0.291 3.759 3.960 0.151 0.000 0.246 98 G HA3 -0.291 3.759 3.960 0.151 0.000 0.246 98 G C 0.218 175.134 174.900 0.026 0.000 0.990 98 G CA 0.490 45.560 45.100 -0.050 0.000 0.627 98 G HN 0.640 nan 8.290 nan 0.000 0.522 99 F N -1.487 118.446 119.950 -0.029 0.000 2.691 99 F HA 0.859 5.474 4.527 0.148 0.000 0.334 99 F C -0.466 175.347 175.800 0.022 0.000 1.107 99 F CA -2.673 55.315 58.000 -0.020 0.000 0.991 99 F CB 0.934 39.915 39.000 -0.032 0.000 1.400 99 F HN 0.172 nan 8.300 nan 0.000 0.503 100 Y N 0.925 121.360 120.300 0.225 0.000 2.377 100 Y HA 0.619 5.257 4.550 0.148 0.000 0.339 100 Y C -1.087 174.957 175.900 0.240 0.000 1.011 100 Y CA -0.971 57.192 58.100 0.106 0.000 1.093 100 Y CB 1.517 39.972 38.460 -0.008 0.000 1.201 100 Y HN 0.862 nan 8.280 nan 0.000 0.455 101 E N 4.395 124.428 120.200 -0.278 0.000 2.311 101 E HA 0.714 5.155 4.350 0.151 0.000 0.281 101 E C -2.013 174.383 176.600 -0.339 0.000 0.905 101 E CA -0.633 55.710 56.400 -0.094 0.000 0.778 101 E CB 1.302 31.114 29.700 0.186 0.000 1.240 101 E HN 0.896 nan 8.360 nan 0.000 0.410 102 A N 3.419 126.153 122.820 -0.144 0.000 2.593 102 A HA 0.641 5.051 4.320 0.151 0.000 0.290 102 A C -1.209 176.417 177.584 0.071 0.000 1.126 102 A CA -0.775 51.222 52.037 -0.067 0.000 0.695 102 A CB 1.707 20.681 19.000 -0.044 0.000 1.290 102 A HN 0.565 nan 8.150 nan 0.000 0.414 103 E N 0.074 120.312 120.200 0.063 0.000 2.301 103 E HA 0.565 5.006 4.350 0.151 0.000 0.275 103 E C -0.650 176.020 176.600 0.117 0.000 1.030 103 E CA -0.128 56.317 56.400 0.074 0.000 0.852 103 E CB 0.722 30.453 29.700 0.051 0.000 1.060 103 E HN 0.484 nan 8.360 nan 0.000 0.401 104 L N 1.907 123.200 121.223 0.117 0.000 2.453 104 L HA 0.220 4.651 4.340 0.151 0.000 0.261 104 L C 0.116 177.101 176.870 0.191 0.000 1.179 104 L CA -0.713 54.232 54.840 0.175 0.000 0.813 104 L CB 0.860 42.998 42.059 0.132 0.000 1.110 104 L HN 0.560 nan 8.230 nan 0.000 0.466 105 C N 3.529 122.976 119.300 0.246 0.000 2.373 105 C HA 0.288 4.839 4.460 0.151 0.000 0.354 105 C C -0.944 174.117 174.990 0.119 0.000 1.249 105 C CA -1.482 57.604 59.018 0.113 0.000 1.784 105 C CB 0.086 27.835 27.740 0.016 0.000 2.408 105 C HN 0.603 nan 8.230 nan 0.000 0.542 106 P HA -0.066 nan 4.420 nan 0.000 0.223 106 P C 0.373 177.681 177.300 0.014 0.000 1.144 106 P CA 1.544 64.680 63.100 0.060 0.000 0.783 106 P CB 0.019 31.741 31.700 0.037 0.000 0.771 107 D N -1.996 118.400 120.400 -0.007 0.000 2.501 107 D HA 0.154 4.885 4.640 0.151 0.000 0.224 107 D C 0.461 176.724 176.300 -0.062 0.000 1.202 107 D CA -0.025 53.953 54.000 -0.036 0.000 0.829 107 D CB 0.917 41.696 40.800 -0.035 0.000 1.023 107 D HN 0.127 nan 8.370 nan 0.000 0.499 108 R N 0.489 120.939 120.500 -0.082 0.000 2.673 108 R HA 0.298 4.728 4.340 0.151 0.000 0.281 108 R C 0.460 176.646 176.300 -0.189 0.000 0.991 108 R CA -0.509 55.490 56.100 -0.168 0.000 0.896 108 R CB 1.736 31.884 30.300 -0.253 0.000 1.201 108 R HN 0.122 nan 8.270 nan 0.000 0.457 109 C N 2.143 121.352 119.300 -0.151 0.000 3.183 109 C HA 0.569 5.120 4.460 0.151 0.000 0.285 109 C C 0.399 175.362 174.990 -0.046 0.000 1.313 109 C CA -0.635 58.384 59.018 0.001 0.000 1.711 109 C CB -0.793 26.959 27.740 0.020 0.000 2.135 109 C HN 0.520 nan 8.230 nan 0.000 0.651 110 I N 2.441 122.843 120.570 -0.281 0.000 2.404 110 I HA 0.421 4.682 4.170 0.151 0.000 0.293 110 I C -0.569 175.256 176.117 -0.487 0.000 0.992 110 I CA -0.185 60.996 61.300 -0.199 0.000 1.149 110 I CB 1.031 38.949 38.000 -0.135 0.000 1.315 110 I HN 0.360 nan 8.210 nan 0.000 0.446 111 H N 3.888 122.878 119.070 -0.133 0.000 2.589 111 H HA 0.344 4.992 4.556 0.152 0.000 0.351 111 H C -0.830 174.206 175.328 -0.487 0.000 1.074 111 H CA -0.588 55.288 56.048 -0.286 0.000 1.203 111 H CB 2.389 32.012 29.762 -0.232 0.000 1.558 111 H HN 0.449 nan 8.280 nan 0.000 0.522 112 S N 3.155 118.554 115.700 -0.503 0.000 2.472 112 S HA 0.576 5.136 4.470 0.151 0.000 0.303 112 S C -1.209 172.974 174.600 -0.696 0.000 1.099 112 S CA -0.669 57.269 58.200 -0.437 0.000 1.077 112 S CB 0.257 63.352 63.200 -0.174 0.000 1.031 112 S HN 0.391 nan 8.310 nan 0.000 0.487 113 F N 2.911 122.875 119.950 0.024 0.000 2.445 113 F HA 0.446 5.066 4.527 0.156 0.000 0.348 113 F C 0.960 176.726 175.800 -0.057 0.000 1.125 113 F CA -0.561 57.411 58.000 -0.047 0.000 0.983 113 F CB 1.886 40.797 39.000 -0.148 0.000 1.198 113 F HN 0.614 nan 8.300 nan 0.000 0.436 114 Q N 1.266 121.047 119.800 -0.032 0.000 2.194 114 Q HA 0.251 4.682 4.340 0.151 0.000 0.214 114 Q C 0.018 175.950 176.000 -0.113 0.000 0.838 114 Q CA 0.042 55.677 55.803 -0.280 0.000 0.972 114 Q CB 0.553 28.926 28.738 -0.609 0.000 1.131 114 Q HN 0.524 nan 8.270 nan 0.000 0.498 115 N N 0.857 119.568 118.700 0.019 0.000 2.497 115 N HA 0.214 5.044 4.740 0.151 0.000 0.284 115 N C -0.962 174.586 175.510 0.063 0.000 1.459 115 N CA 0.036 53.115 53.050 0.047 0.000 0.899 115 N CB 1.207 39.737 38.487 0.072 0.000 1.316 115 N HN 0.138 nan 8.380 nan 0.000 0.500 116 L N 0.877 122.124 121.223 0.039 0.000 2.260 116 L HA 0.543 4.974 4.340 0.151 0.000 0.289 116 L C 0.810 177.670 176.870 -0.016 0.000 1.057 116 L CA -0.563 54.273 54.840 -0.006 0.000 0.811 116 L CB 1.335 43.354 42.059 -0.067 0.000 1.184 116 L HN 0.036 nan 8.230 nan 0.000 0.429 117 G N 4.243 113.022 108.800 -0.035 0.000 2.482 117 G HA2 0.707 4.758 3.960 0.151 0.000 0.317 117 G HA3 0.707 4.758 3.960 0.151 0.000 0.317 117 G C -0.863 173.960 174.900 -0.128 0.000 1.241 117 G CA -0.530 44.534 45.100 -0.059 0.000 0.967 117 G HN 0.437 nan 8.290 nan 0.000 0.482 118 I N 1.058 121.507 120.570 -0.202 0.000 2.330 118 I HA 0.263 4.524 4.170 0.151 0.000 0.289 118 I C 0.036 175.941 176.117 -0.354 0.000 1.001 118 I CA -0.452 60.629 61.300 -0.365 0.000 1.193 118 I CB 1.866 39.446 38.000 -0.700 0.000 1.345 118 I HN 0.398 nan 8.210 nan 0.000 0.461 119 Q N 6.868 126.496 119.800 -0.287 0.000 2.340 119 Q HA 0.369 4.799 4.340 0.151 0.000 0.259 119 Q C -0.665 175.129 176.000 -0.344 0.000 0.964 119 Q CA -0.824 54.833 55.803 -0.243 0.000 0.900 119 Q CB 1.319 29.981 28.738 -0.127 0.000 1.228 119 Q HN 0.871 nan 8.270 nan 0.000 0.449 120 C N 1.893 120.889 119.300 -0.507 0.000 2.452 120 C HA 0.701 5.251 4.460 0.151 0.000 0.379 120 C C 0.516 175.346 174.990 -0.267 0.000 1.275 120 C CA -1.052 57.516 59.018 -0.749 0.000 2.056 120 C CB 0.214 27.372 27.740 -0.969 0.000 2.506 120 C HN 0.713 nan 8.230 nan 0.000 0.560 121 V N 3.892 123.874 119.914 0.112 0.000 2.743 121 V HA 0.376 4.586 4.120 0.151 0.000 0.301 121 V C 0.321 176.538 176.094 0.206 0.000 1.057 121 V CA -0.292 62.099 62.300 0.152 0.000 1.006 121 V CB 1.161 33.077 31.823 0.155 0.000 1.024 121 V HN 1.016 nan 8.190 nan 0.000 0.473 122 K N 4.133 124.665 120.400 0.220 0.000 2.202 122 K HA 0.243 4.653 4.320 0.151 0.000 0.264 122 K C 0.869 177.570 176.600 0.169 0.000 1.010 122 K CA -0.367 56.069 56.287 0.249 0.000 0.940 122 K CB 0.869 33.489 32.500 0.200 0.000 0.983 122 K HN 0.563 nan 8.250 nan 0.000 0.475 123 K N 1.432 121.929 120.400 0.160 0.000 2.063 123 K HA -0.194 4.216 4.320 0.151 0.000 0.208 123 K C 1.994 178.645 176.600 0.084 0.000 1.048 123 K CA 1.405 57.761 56.287 0.115 0.000 0.928 123 K CB -0.058 32.507 32.500 0.108 0.000 0.713 123 K HN 0.298 nan 8.250 nan 0.000 0.442 124 R N 1.253 121.800 120.500 0.078 0.000 2.117 124 R HA -0.119 4.312 4.340 0.151 0.000 0.243 124 R C 0.653 176.985 176.300 0.053 0.000 1.143 124 R CA 1.573 57.708 56.100 0.058 0.000 0.968 124 R CB -0.186 30.145 30.300 0.050 0.000 0.863 124 R HN 0.212 nan 8.270 nan 0.000 0.444 125 D N -0.683 119.755 120.400 0.062 0.000 2.388 125 D HA 0.045 4.775 4.640 0.151 0.000 0.221 125 D C 1.276 177.600 176.300 0.041 0.000 1.133 125 D CA -0.052 53.978 54.000 0.050 0.000 0.831 125 D CB 0.061 40.895 40.800 0.056 0.000 0.962 125 D HN 0.167 nan 8.370 nan 0.000 0.502 126 L N 0.354 121.602 121.223 0.042 0.000 2.046 126 L HA -0.136 4.294 4.340 0.151 0.000 0.208 126 L C 2.202 179.069 176.870 -0.004 0.000 1.077 126 L CA 1.357 56.205 54.840 0.013 0.000 0.747 126 L CB 0.174 42.250 42.059 0.029 0.000 0.896 126 L HN -0.002 nan 8.230 nan 0.000 0.432 127 E N -0.614 119.599 120.200 0.020 0.000 2.077 127 E HA -0.324 4.116 4.350 0.151 0.000 0.193 127 E C 2.084 178.690 176.600 0.010 0.000 0.989 127 E CA 1.525 57.938 56.400 0.022 0.000 0.800 127 E CB -0.001 29.717 29.700 0.029 0.000 0.746 127 E HN 0.549 nan 8.360 nan 0.000 0.452 128 Q N 0.024 119.831 119.800 0.011 0.000 2.124 128 Q HA -0.158 4.272 4.340 0.151 0.000 0.202 128 Q C 1.954 177.954 176.000 -0.000 0.000 0.977 128 Q CA 1.371 57.179 55.803 0.009 0.000 0.850 128 Q CB -0.093 28.654 28.738 0.014 0.000 0.901 128 Q HN 0.237 nan 8.270 nan 0.000 0.429 129 A N 0.603 123.417 122.820 -0.010 0.000 1.898 129 A HA -0.152 4.258 4.320 0.151 0.000 0.216 129 A C 1.954 179.509 177.584 -0.049 0.000 1.181 129 A CA 1.215 53.237 52.037 -0.024 0.000 0.620 129 A CB -0.544 18.438 19.000 -0.030 0.000 0.819 129 A HN 0.492 nan 8.150 nan 0.000 0.442 130 I N -0.648 119.877 120.570 -0.074 0.000 2.315 130 I HA -0.130 4.130 4.170 0.151 0.000 0.248 130 I C 2.618 178.723 176.117 -0.020 0.000 1.117 130 I CA 1.695 62.946 61.300 -0.082 0.000 1.404 130 I CB -0.268 37.690 38.000 -0.070 0.000 1.071 130 I HN 0.277 nan 8.210 nan 0.000 0.419 131 S N -0.466 115.231 115.700 -0.004 0.000 2.383 131 S HA -0.253 4.307 4.470 0.151 0.000 0.227 131 S C 2.091 176.698 174.600 0.011 0.000 1.026 131 S CA 1.589 59.794 58.200 0.009 0.000 0.981 131 S CB -0.352 62.855 63.200 0.011 0.000 0.818 131 S HN 0.623 nan 8.310 nan 0.000 0.472 132 Q N -0.062 119.743 119.800 0.008 0.000 2.124 132 Q HA -0.149 4.282 4.340 0.151 0.000 0.202 132 Q C 2.262 178.279 176.000 0.029 0.000 0.977 132 Q CA 1.275 57.087 55.803 0.016 0.000 0.850 132 Q CB -0.061 28.684 28.738 0.012 0.000 0.901 132 Q HN 0.358 nan 8.270 nan 0.000 0.429 133 R N 0.689 121.201 120.500 0.020 0.000 2.073 133 R HA -0.124 4.306 4.340 0.151 0.000 0.234 133 R C 2.388 178.707 176.300 0.032 0.000 1.134 133 R CA 1.779 57.898 56.100 0.032 0.000 0.952 133 R CB -0.471 29.833 30.300 0.006 0.000 0.850 133 R HN 0.590 nan 8.270 nan 0.000 0.433 134 I N -1.805 118.778 120.570 0.023 0.000 2.315 134 I HA -0.173 4.087 4.170 0.151 0.000 0.248 134 I C 1.830 177.961 176.117 0.022 0.000 1.117 134 I CA 1.321 62.634 61.300 0.022 0.000 1.404 134 I CB -0.416 37.597 38.000 0.022 0.000 1.071 134 I HN 0.116 nan 8.210 nan 0.000 0.419 135 Q N 1.562 121.377 119.800 0.025 0.000 2.364 135 Q HA -0.129 4.301 4.340 0.151 0.000 0.209 135 Q C 1.704 177.725 176.000 0.035 0.000 0.977 135 Q CA 1.982 57.800 55.803 0.025 0.000 0.885 135 Q CB -0.116 28.635 28.738 0.022 0.000 0.941 135 Q HN 0.816 nan 8.270 nan 0.000 0.464 136 T N -3.763 110.821 114.554 0.051 0.000 3.132 136 T HA 0.163 4.603 4.350 0.151 0.000 0.274 136 T C 0.309 175.041 174.700 0.054 0.000 1.011 136 T CA -0.166 61.982 62.100 0.081 0.000 0.899 136 T CB 0.224 69.184 68.868 0.154 0.000 1.089 136 T HN 0.120 nan 8.240 nan 0.000 0.543 137 N N 1.862 120.572 118.700 0.016 0.000 2.741 137 N HA -0.185 4.646 4.740 0.151 0.000 0.251 137 N C -0.284 175.180 175.510 -0.076 0.000 1.112 137 N CA 0.788 53.824 53.050 -0.025 0.000 0.750 137 N CB -2.028 36.438 38.487 -0.034 0.000 1.119 137 N HN 0.811 nan 8.380 nan 0.000 0.561 138 N N 0.638 119.304 118.700 -0.056 0.000 2.739 138 N HA 0.109 4.939 4.740 0.151 0.000 0.266 138 N C -0.639 174.836 175.510 -0.057 0.000 1.168 138 N CA 0.081 53.057 53.050 -0.124 0.000 1.055 138 N CB -0.188 38.292 38.487 -0.012 0.000 1.393 138 N HN 0.278 nan 8.380 nan 0.000 0.514 139 N N 3.190 121.849 118.700 -0.068 0.000 2.716 139 N HA 0.204 5.034 4.740 0.151 0.000 0.245 139 N C -2.219 173.278 175.510 -0.022 0.000 1.495 139 N CA -1.587 51.462 53.050 -0.002 0.000 0.759 139 N CB 0.954 39.450 38.487 0.016 0.000 1.261 139 N HN 0.235 nan 8.380 nan 0.000 0.515 140 P HA -0.183 nan 4.420 nan 0.000 0.218 140 P C 0.097 177.199 177.300 -0.330 0.000 1.165 140 P CA 1.575 64.528 63.100 -0.245 0.000 0.922 140 P CB 0.079 31.606 31.700 -0.289 0.000 0.794 141 F N -2.038 117.910 119.950 -0.004 0.000 2.663 141 F HA 0.242 4.853 4.527 0.140 0.000 0.299 141 F C 1.061 176.865 175.800 0.007 0.000 1.143 141 F CA -0.425 57.581 58.000 0.012 0.000 1.387 141 F CB -1.252 37.776 39.000 0.047 0.000 1.019 141 F HN -0.150 nan 8.300 nan 0.000 0.523 142 Q N 0.972 120.835 119.800 0.105 0.000 2.358 142 Q HA -0.204 4.227 4.340 0.151 0.000 0.318 142 Q C -0.638 175.411 176.000 0.083 0.000 1.243 142 Q CA 0.141 55.983 55.803 0.064 0.000 0.949 142 Q CB -1.785 26.968 28.738 0.025 0.000 1.224 142 Q HN 0.237 nan 8.270 nan 0.000 0.473 143 V N 2.944 122.926 119.914 0.113 0.000 2.509 143 V HA 0.082 4.293 4.120 0.151 0.000 0.297 143 V C -1.418 174.704 176.094 0.047 0.000 1.014 143 V CA -0.105 62.242 62.300 0.078 0.000 1.127 143 V CB -0.115 31.751 31.823 0.072 0.000 0.925 143 V HN 0.490 nan 8.190 nan 0.000 0.480 144 P HA 0.003 nan 4.420 nan 0.000 0.265 144 P C 1.201 178.511 177.300 0.015 0.000 1.193 144 P CA 0.094 63.205 63.100 0.019 0.000 0.765 144 P CB 0.827 32.533 31.700 0.011 0.000 0.823 145 I N 1.435 122.014 120.570 0.016 0.000 2.561 145 I HA -0.331 3.930 4.170 0.151 0.000 0.263 145 I C 1.913 178.034 176.117 0.006 0.000 1.171 145 I CA 1.638 62.948 61.300 0.017 0.000 1.430 145 I CB -0.075 37.934 38.000 0.015 0.000 1.105 145 I HN 0.487 nan 8.210 nan 0.000 0.453 146 E N 0.876 121.075 120.200 -0.002 0.000 2.004 146 E HA -0.263 4.178 4.350 0.151 0.000 0.192 146 E C 1.891 178.474 176.600 -0.028 0.000 0.987 146 E CA 1.390 57.782 56.400 -0.014 0.000 0.822 146 E CB -0.130 29.561 29.700 -0.015 0.000 0.779 146 E HN 0.388 nan 8.360 nan 0.000 0.458 147 E N 0.609 120.789 120.200 -0.032 0.000 2.331 147 E HA -0.213 4.227 4.350 0.151 0.000 0.199 147 E C 1.639 178.200 176.600 -0.064 0.000 1.008 147 E CA 0.878 57.245 56.400 -0.055 0.000 0.843 147 E CB -0.190 29.479 29.700 -0.052 0.000 0.761 147 E HN 0.363 nan 8.360 nan 0.000 0.507 148 Q N 0.174 119.959 119.800 -0.025 0.000 2.541 148 Q HA -0.087 4.343 4.340 0.151 0.000 0.215 148 Q C -0.075 175.917 176.000 -0.013 0.000 0.977 148 Q CA 0.435 56.244 55.803 0.010 0.000 0.934 148 Q CB 0.303 29.072 28.738 0.050 0.000 0.988 148 Q HN -0.088 nan 8.270 nan 0.000 0.521 149 R N -0.740 119.712 120.500 -0.080 0.000 2.778 149 R HA 0.703 5.133 4.340 0.151 0.000 0.277 149 R C -0.467 175.700 176.300 -0.222 0.000 0.977 149 R CA 0.258 56.286 56.100 -0.120 0.000 0.950 149 R CB 1.732 32.002 30.300 -0.051 0.000 1.165 149 R HN 0.256 nan 8.270 nan 0.000 0.474 150 G N 1.640 110.274 108.800 -0.277 0.000 2.375 150 G HA2 -0.092 3.959 3.960 0.151 0.000 0.663 150 G HA3 -0.092 3.959 3.960 0.151 0.000 0.663 150 G C -1.278 173.363 174.900 -0.431 0.000 1.391 150 G CA -1.033 43.902 45.100 -0.275 0.000 0.949 150 G HN 0.462 nan 8.290 nan 0.000 0.646 151 D N -0.375 119.869 120.400 -0.259 0.000 2.515 151 D HA 0.200 4.931 4.640 0.151 0.000 0.230 151 D C -0.184 175.904 176.300 -0.354 0.000 1.181 151 D CA 1.287 55.166 54.000 -0.202 0.000 0.875 151 D CB 0.377 41.124 40.800 -0.088 0.000 1.213 151 D HN 0.315 nan 8.370 nan 0.000 0.478 152 Y N -0.306 119.939 120.300 -0.091 0.000 2.485 152 Y HA 0.148 4.677 4.550 -0.036 0.000 0.345 152 Y C 0.422 176.273 175.900 -0.082 0.000 0.998 152 Y CA -1.056 56.953 58.100 -0.151 0.000 1.059 152 Y CB 1.480 39.761 38.460 -0.297 0.000 1.234 152 Y HN 0.124 nan 8.280 nan 0.000 0.461 153 D N 3.058 123.534 120.400 0.127 0.000 2.393 153 D HA 0.153 4.884 4.640 0.151 0.000 0.232 153 D C 0.182 176.647 176.300 0.275 0.000 1.192 153 D CA 0.168 54.269 54.000 0.167 0.000 0.882 153 D CB 0.696 41.596 40.800 0.168 0.000 1.038 153 D HN 0.613 nan 8.370 nan 0.000 0.499 154 L N 3.151 124.523 121.223 0.248 0.000 2.645 154 L HA 0.104 4.535 4.340 0.151 0.000 0.235 154 L C 0.994 178.165 176.870 0.501 0.000 1.150 154 L CA 0.067 55.135 54.840 0.380 0.000 0.911 154 L CB -0.207 42.045 42.059 0.322 0.000 1.077 154 L HN 0.247 nan 8.230 nan 0.000 0.438 155 N N 0.396 119.280 118.700 0.307 0.000 2.187 155 N HA 0.309 5.139 4.740 0.151 0.000 0.212 155 N C 0.017 175.620 175.510 0.156 0.000 1.152 155 N CA 0.206 53.326 53.050 0.117 0.000 0.872 155 N CB 1.563 40.096 38.487 0.078 0.000 1.025 155 N HN 0.194 nan 8.380 nan 0.000 0.514 156 A N 0.220 123.210 122.820 0.283 0.000 2.589 156 A HA 0.689 5.099 4.320 0.151 0.000 0.296 156 A C -0.819 176.817 177.584 0.086 0.000 1.062 156 A CA -0.625 51.480 52.037 0.113 0.000 0.686 156 A CB 1.313 20.324 19.000 0.019 0.000 1.282 156 A HN -0.032 nan 8.150 nan 0.000 0.404 157 V N -1.228 118.650 119.914 -0.061 0.000 3.216 157 V HA 0.860 5.071 4.120 0.151 0.000 0.302 157 V C -0.900 175.122 176.094 -0.121 0.000 1.286 157 V CA -1.107 61.118 62.300 -0.125 0.000 1.048 157 V CB 1.934 33.555 31.823 -0.337 0.000 1.081 157 V HN 1.001 nan 8.190 nan 0.000 0.442 158 R N 1.432 121.887 120.500 -0.075 0.000 2.621 158 R HA 0.721 5.151 4.340 0.151 0.000 0.292 158 R C -1.149 175.088 176.300 -0.105 0.000 0.969 158 R CA -0.831 55.226 56.100 -0.071 0.000 0.887 158 R CB 2.234 32.511 30.300 -0.039 0.000 1.180 158 R HN 0.760 nan 8.270 nan 0.000 0.450 159 L N 1.720 122.860 121.223 -0.139 0.000 2.397 159 L HA 0.308 4.738 4.340 0.151 0.000 0.271 159 L C -0.021 176.682 176.870 -0.278 0.000 1.148 159 L CA -0.451 54.216 54.840 -0.290 0.000 0.825 159 L CB 1.158 42.971 42.059 -0.408 0.000 1.117 159 L HN 0.603 nan 8.230 nan 0.000 0.456 160 C N 4.325 123.407 119.300 -0.364 0.000 2.344 160 C HA 0.503 5.054 4.460 0.151 0.000 0.326 160 C C -0.265 174.508 174.990 -0.361 0.000 1.201 160 C CA -0.836 58.061 59.018 -0.202 0.000 1.410 160 C CB -0.631 27.091 27.740 -0.030 0.000 2.070 160 C HN 0.550 nan 8.230 nan 0.000 0.445 161 F N 4.546 124.428 119.950 -0.113 0.000 2.424 161 F HA 0.424 5.045 4.527 0.156 0.000 0.356 161 F C 0.882 176.606 175.800 -0.126 0.000 1.110 161 F CA 0.181 58.097 58.000 -0.139 0.000 1.161 161 F CB 0.969 39.895 39.000 -0.124 0.000 1.115 161 F HN 0.496 nan 8.300 nan 0.000 0.507 162 Q N 3.649 123.454 119.800 0.009 0.000 2.523 162 Q HA 0.430 4.861 4.340 0.151 0.000 0.251 162 Q C -0.972 175.012 176.000 -0.026 0.000 1.033 162 Q CA -0.598 55.173 55.803 -0.052 0.000 0.746 162 Q CB 2.034 30.690 28.738 -0.136 0.000 1.189 162 Q HN 0.401 nan 8.270 nan 0.000 0.508 163 V N 1.550 121.452 119.914 -0.020 0.000 2.743 163 V HA 0.445 4.656 4.120 0.151 0.000 0.301 163 V C 0.270 176.309 176.094 -0.090 0.000 1.057 163 V CA -0.239 62.033 62.300 -0.047 0.000 1.006 163 V CB 1.814 33.599 31.823 -0.063 0.000 1.024 163 V HN 0.675 nan 8.190 nan 0.000 0.473 164 T N 2.943 117.431 114.554 -0.109 0.000 3.038 164 T HA 0.403 4.843 4.350 0.151 0.000 0.344 164 T C -0.030 174.553 174.700 -0.195 0.000 1.054 164 T CA -0.346 61.675 62.100 -0.132 0.000 1.092 164 T CB 1.060 69.875 68.868 -0.088 0.000 1.031 164 T HN 0.639 nan 8.240 nan 0.000 0.482 165 V N 1.938 121.646 119.914 -0.342 0.000 5.049 165 V HA 0.690 4.900 4.120 0.151 0.000 0.272 165 V C -0.018 175.877 176.094 -0.331 0.000 1.299 165 V CA -0.645 61.273 62.300 -0.637 0.000 0.684 165 V CB 0.287 31.206 31.823 -1.508 0.000 1.251 165 V HN 0.661 nan 8.190 nan 0.000 0.380 166 R N 0.791 121.123 120.500 -0.280 0.000 2.522 166 R HA 0.400 4.830 4.340 0.151 0.000 0.283 166 R C -1.603 174.760 176.300 0.105 0.000 1.074 166 R CA -0.363 55.748 56.100 0.018 0.000 0.925 166 R CB 1.357 31.739 30.300 0.137 0.000 1.205 166 R HN 1.022 nan 8.270 nan 0.000 0.436 167 D N 2.643 123.073 120.400 0.050 0.000 2.378 167 D HA 0.076 4.806 4.640 0.151 0.000 0.238 167 D C -2.134 174.214 176.300 0.081 0.000 1.180 167 D CA -1.317 52.720 54.000 0.062 0.000 0.895 167 D CB 0.187 41.005 40.800 0.030 0.000 1.192 167 D HN 0.089 nan 8.370 nan 0.000 0.438 168 P HA -0.057 nan 4.420 nan 0.000 0.243 168 P C -0.699 176.628 177.300 0.045 0.000 1.107 168 P CA 0.656 63.790 63.100 0.056 0.000 0.848 168 P CB -0.321 31.403 31.700 0.040 0.000 0.771 169 S N 1.948 117.677 115.700 0.049 0.000 4.031 169 S HA 0.056 4.617 4.470 0.151 0.000 0.685 169 S C 0.821 175.442 174.600 0.034 0.000 0.953 169 S CA 1.009 59.231 58.200 0.038 0.000 1.240 169 S CB -1.162 62.052 63.200 0.023 0.000 1.832 169 S HN 1.109 nan 8.310 nan 0.000 0.446 170 G N 3.691 112.513 108.800 0.037 0.000 2.395 170 G HA2 0.000 4.051 3.960 0.151 0.000 0.201 170 G HA3 0.000 4.051 3.960 0.151 0.000 0.201 170 G C -0.761 174.156 174.900 0.027 0.000 1.206 170 G CA -0.430 44.687 45.100 0.028 0.000 1.210 170 G HN 0.934 nan 8.290 nan 0.000 0.557 171 R N 0.819 121.330 120.500 0.018 0.000 2.595 171 R HA 0.094 4.524 4.340 0.151 0.000 0.269 171 R C -2.315 173.988 176.300 0.006 0.000 0.977 171 R CA 0.158 56.263 56.100 0.009 0.000 1.093 171 R CB -1.345 28.958 30.300 0.004 0.000 0.904 171 R HN 0.391 nan 8.270 nan 0.000 0.425 172 P HA 0.231 nan 4.420 nan 0.000 0.275 172 P C -0.726 176.550 177.300 -0.040 0.000 1.266 172 P CA -0.423 62.663 63.100 -0.023 0.000 0.793 172 P CB 0.496 32.180 31.700 -0.026 0.000 1.074 173 L N 0.219 121.398 121.223 -0.073 0.000 2.676 173 L HA 0.315 4.745 4.340 0.151 0.000 0.262 173 L C -0.962 175.845 176.870 -0.105 0.000 0.965 173 L CA -0.295 54.497 54.840 -0.081 0.000 0.920 173 L CB 0.989 42.999 42.059 -0.083 0.000 1.260 173 L HN 0.206 nan 8.230 nan 0.000 0.422 174 R N 5.335 125.786 120.500 -0.082 0.000 2.340 174 R HA 0.661 5.092 4.340 0.151 0.000 0.300 174 R C -0.613 175.641 176.300 -0.076 0.000 1.069 174 R CA -0.587 55.461 56.100 -0.086 0.000 0.984 174 R CB 0.897 31.148 30.300 -0.082 0.000 1.003 174 R HN 0.696 nan 8.270 nan 0.000 0.459 175 L N 0.325 121.502 121.223 -0.075 0.000 2.332 175 L HA 0.698 5.128 4.340 0.151 0.000 0.269 175 L C -2.295 174.551 176.870 -0.041 0.000 1.016 175 L CA -2.925 51.888 54.840 -0.045 0.000 0.809 175 L CB 0.539 42.580 42.059 -0.029 0.000 1.280 175 L HN 0.248 nan 8.230 nan 0.000 0.447 176 P HA 0.023 nan 4.420 nan 0.000 0.263 176 P C -2.421 174.859 177.300 -0.033 0.000 1.168 176 P CA -0.147 62.936 63.100 -0.028 0.000 0.759 176 P CB -0.266 31.437 31.700 0.005 0.000 0.782 177 P HA 0.132 nan 4.420 nan 0.000 0.278 177 P C -0.936 176.378 177.300 0.023 0.000 1.238 177 P CA 0.032 63.077 63.100 -0.092 0.000 0.794 177 P CB 0.919 32.426 31.700 -0.322 0.000 0.955 178 V N 3.401 123.376 119.914 0.103 0.000 2.715 178 V HA 0.392 4.603 4.120 0.151 0.000 0.310 178 V C 0.447 176.662 176.094 0.202 0.000 1.054 178 V CA -0.877 61.508 62.300 0.142 0.000 0.928 178 V CB 1.893 33.783 31.823 0.112 0.000 1.007 178 V HN 0.402 nan 8.190 nan 0.000 0.437 179 L N 3.042 124.351 121.223 0.143 0.000 2.331 179 L HA 0.629 5.059 4.340 0.151 0.000 0.275 179 L C 0.526 177.463 176.870 0.112 0.000 1.022 179 L CA -0.294 54.606 54.840 0.100 0.000 0.812 179 L CB 2.160 44.197 42.059 -0.037 0.000 1.257 179 L HN 0.833 nan 8.230 nan 0.000 0.435 180 S N -0.313 115.457 115.700 0.117 0.000 2.707 180 S HA 0.412 4.972 4.470 0.151 0.000 0.276 180 S C -0.063 174.606 174.600 0.114 0.000 1.179 180 S CA -0.845 57.411 58.200 0.093 0.000 0.992 180 S CB 0.865 64.144 63.200 0.132 0.000 1.030 180 S HN 0.441 nan 8.310 nan 0.000 0.554 181 H N 2.167 121.264 119.070 0.045 0.000 2.771 181 H HA 0.361 5.006 4.556 0.149 0.000 0.364 181 H C -2.024 173.286 175.328 -0.029 0.000 1.133 181 H CA -1.271 54.794 56.048 0.028 0.000 1.423 181 H CB -0.252 29.542 29.762 0.055 0.000 1.425 181 H HN 0.515 nan 8.280 nan 0.000 0.606 182 P HA 0.103 nan 4.420 nan 0.000 0.270 182 P C -0.254 176.854 177.300 -0.319 0.000 1.223 182 P CA 0.105 63.075 63.100 -0.217 0.000 0.785 182 P CB 0.966 32.430 31.700 -0.392 0.000 0.923 183 I N 1.642 121.997 120.570 -0.358 0.000 2.382 183 I HA 0.312 4.572 4.170 0.151 0.000 0.286 183 I C -0.075 175.921 176.117 -0.202 0.000 1.002 183 I CA -0.736 60.464 61.300 -0.167 0.000 1.135 183 I CB 0.702 38.701 38.000 -0.002 0.000 1.288 183 I HN 0.131 nan 8.210 nan 0.000 0.448 184 F N 3.267 123.291 119.950 0.124 0.000 2.399 184 F HA 0.259 4.878 4.527 0.153 0.000 0.334 184 F C 0.750 176.432 175.800 -0.197 0.000 1.097 184 F CA -0.729 57.268 58.000 -0.004 0.000 1.076 184 F CB 0.710 39.692 39.000 -0.030 0.000 1.162 184 F HN 0.389 nan 8.300 nan 0.000 0.495 185 D N 2.460 122.566 120.400 -0.490 0.000 2.363 185 D HA -0.096 4.634 4.640 0.151 0.000 0.263 185 D C 0.886 177.009 176.300 -0.294 0.000 1.258 185 D CA 0.475 53.937 54.000 -0.897 0.000 0.907 185 D CB 0.226 40.242 40.800 -1.307 0.000 1.107 185 D HN 0.601 nan 8.370 nan 0.000 0.495 186 N N 3.810 122.421 118.700 -0.148 0.000 2.512 186 N HA -0.125 4.705 4.740 0.151 0.000 0.183 186 N C 1.518 176.994 175.510 -0.056 0.000 1.073 186 N CA 0.228 53.244 53.050 -0.057 0.000 0.911 186 N CB 0.165 38.650 38.487 -0.003 0.000 0.964 186 N HN 0.424 nan 8.380 nan 0.000 0.447 187 R N 0.616 121.070 120.500 -0.077 0.000 2.140 187 R HA 0.151 4.581 4.340 0.151 0.000 0.213 187 R C 0.404 176.685 176.300 -0.031 0.000 1.059 187 R CA 0.175 56.257 56.100 -0.030 0.000 1.000 187 R CB -0.024 30.281 30.300 0.009 0.000 0.910 187 R HN 0.021 nan 8.270 nan 0.000 0.455 188 A N 2.696 125.474 122.820 -0.070 0.000 2.520 188 A HA 0.157 4.568 4.320 0.151 0.000 0.245 188 A C -1.618 175.945 177.584 -0.035 0.000 1.072 188 A CA -1.177 50.835 52.037 -0.042 0.000 0.761 188 A CB 0.366 19.325 19.000 -0.068 0.000 1.004 188 A HN 0.275 nan 8.150 nan 0.000 0.499 189 P HA -0.189 nan 4.420 nan 0.000 0.216 189 P C 0.370 177.651 177.300 -0.032 0.000 1.150 189 P CA 1.640 64.727 63.100 -0.021 0.000 0.843 189 P CB -0.270 31.424 31.700 -0.010 0.000 0.787 190 N N -1.801 116.882 118.700 -0.027 0.000 2.920 190 N HA 0.183 5.013 4.740 0.151 0.000 0.310 190 N C 0.119 175.595 175.510 -0.058 0.000 1.384 190 N CA -0.347 52.680 53.050 -0.039 0.000 1.083 190 N CB 0.342 38.817 38.487 -0.020 0.000 1.389 190 N HN -0.143 nan 8.380 nan 0.000 0.521 191 T N -1.793 112.712 114.554 -0.082 0.000 4.881 191 T HA 0.110 4.550 4.350 0.151 0.000 0.309 191 T C -0.145 174.491 174.700 -0.106 0.000 0.953 191 T CA -0.035 61.994 62.100 -0.119 0.000 0.552 191 T CB -0.545 68.313 68.868 -0.016 0.000 0.856 191 T HN 0.504 nan 8.240 nan 0.000 0.584 192 A N 1.201 123.971 122.820 -0.084 0.000 2.313 192 A HA 0.679 5.090 4.320 0.151 0.000 0.261 192 A C 0.149 177.691 177.584 -0.070 0.000 1.090 192 A CA -0.314 51.685 52.037 -0.063 0.000 0.807 192 A CB 0.325 19.296 19.000 -0.049 0.000 1.055 192 A HN 0.561 nan 8.150 nan 0.000 0.492 193 E N 0.655 120.828 120.200 -0.045 0.000 2.259 193 E HA 0.370 4.810 4.350 0.151 0.000 0.281 193 E C -0.965 175.608 176.600 -0.045 0.000 1.037 193 E CA -0.293 56.082 56.400 -0.043 0.000 0.854 193 E CB 0.284 29.975 29.700 -0.015 0.000 1.051 193 E HN 0.513 nan 8.360 nan 0.000 0.409 194 L N 5.011 126.201 121.223 -0.056 0.000 2.367 194 L HA 0.287 4.717 4.340 0.151 0.000 0.275 194 L C 0.217 177.062 176.870 -0.042 0.000 1.129 194 L CA 0.132 54.939 54.840 -0.055 0.000 0.839 194 L CB 0.446 42.464 42.059 -0.069 0.000 1.133 194 L HN 0.519 nan 8.230 nan 0.000 0.453 195 K N 4.500 124.876 120.400 -0.039 0.000 2.581 195 K HA 0.451 4.862 4.320 0.151 0.000 0.249 195 K C -1.149 175.433 176.600 -0.030 0.000 0.966 195 K CA -0.542 55.728 56.287 -0.029 0.000 0.811 195 K CB 1.467 33.957 32.500 -0.017 0.000 1.223 195 K HN 0.468 nan 8.250 nan 0.000 0.438 196 I N 4.221 124.772 120.570 -0.031 0.000 2.529 196 I HA 0.039 4.300 4.170 0.151 0.000 0.284 196 I C 0.718 176.831 176.117 -0.006 0.000 1.082 196 I CA -0.526 60.758 61.300 -0.026 0.000 1.406 196 I CB 0.987 38.967 38.000 -0.033 0.000 1.405 196 I HN 0.806 nan 8.210 nan 0.000 0.548 197 C N 4.411 123.714 119.300 0.004 0.000 2.800 197 C HA 0.312 4.863 4.460 0.151 0.000 0.379 197 C C 0.874 175.879 174.990 0.024 0.000 1.304 197 C CA -0.173 58.853 59.018 0.013 0.000 1.960 197 C CB -0.267 27.481 27.740 0.013 0.000 2.599 197 C HN 0.707 nan 8.230 nan 0.000 0.578 198 R N -0.362 120.160 120.500 0.036 0.000 2.579 198 R HA 0.514 4.945 4.340 0.151 0.000 0.260 198 R C -1.944 174.399 176.300 0.073 0.000 1.103 198 R CA -0.173 55.955 56.100 0.048 0.000 0.942 198 R CB 1.747 32.074 30.300 0.044 0.000 1.251 198 R HN -0.034 nan 8.270 nan 0.000 0.450 199 V N 2.283 122.245 119.914 0.081 0.000 2.628 199 V HA 0.229 4.439 4.120 0.151 0.000 0.306 199 V C 1.109 177.267 176.094 0.107 0.000 1.045 199 V CA -0.662 61.709 62.300 0.119 0.000 0.905 199 V CB 1.761 33.666 31.823 0.137 0.000 0.997 199 V HN 0.852 nan 8.190 nan 0.000 0.436 200 N N 2.812 121.596 118.700 0.140 0.000 2.013 200 N HA -0.051 4.780 4.740 0.151 0.000 0.195 200 N C 0.314 175.860 175.510 0.061 0.000 1.051 200 N CA 1.131 54.236 53.050 0.092 0.000 0.851 200 N CB 0.221 38.805 38.487 0.161 0.000 1.044 200 N HN 0.592 nan 8.380 nan 0.000 0.422 201 R N -0.344 120.216 120.500 0.100 0.000 2.604 201 R HA 0.177 4.607 4.340 0.151 0.000 0.281 201 R C -0.953 175.437 176.300 0.150 0.000 1.020 201 R CA -0.627 55.520 56.100 0.078 0.000 0.899 201 R CB 1.351 31.687 30.300 0.059 0.000 1.205 201 R HN 0.296 nan 8.270 nan 0.000 0.450 202 N N -0.281 118.456 118.700 0.061 0.000 2.235 202 N HA 0.044 4.875 4.740 0.151 0.000 0.209 202 N C -0.517 174.701 175.510 -0.485 0.000 1.122 202 N CA -0.266 52.828 53.050 0.073 0.000 0.845 202 N CB 1.100 39.606 38.487 0.031 0.000 1.004 202 N HN 0.293 nan 8.380 nan 0.000 0.499 203 S N -1.550 113.847 115.700 -0.505 0.000 2.569 203 S HA 0.882 5.442 4.470 0.151 0.000 0.280 203 S C -0.673 173.656 174.600 -0.452 0.000 1.111 203 S CA -0.181 57.538 58.200 -0.801 0.000 0.887 203 S CB 1.452 64.412 63.200 -0.399 0.000 1.095 203 S HN 0.533 nan 8.310 nan 0.000 0.476 204 G N 0.846 109.403 108.800 -0.406 0.000 2.495 204 G HA2 0.475 4.525 3.960 0.151 0.000 0.294 204 G HA3 0.475 4.525 3.960 0.151 0.000 0.294 204 G C -0.965 173.982 174.900 0.078 0.000 1.397 204 G CA -0.252 44.837 45.100 -0.019 0.000 0.790 204 G HN 0.911 nan 8.290 nan 0.000 0.486 205 S N -1.344 114.447 115.700 0.151 0.000 2.572 205 S HA 0.176 4.736 4.470 0.151 0.000 0.279 205 S C 1.947 176.767 174.600 0.367 0.000 1.341 205 S CA 0.162 58.475 58.200 0.189 0.000 1.043 205 S CB 0.032 63.308 63.200 0.127 0.000 0.887 205 S HN 1.601 nan 8.310 nan 0.000 0.516 206 C N 4.630 124.100 119.300 0.283 0.000 2.449 206 C HA 0.137 4.687 4.460 0.151 0.000 0.283 206 C C 1.966 177.014 174.990 0.097 0.000 1.453 206 C CA -0.190 58.952 59.018 0.207 0.000 1.779 206 C CB -1.780 26.024 27.740 0.107 0.000 1.779 206 C HN 0.764 nan 8.230 nan 0.000 0.546 207 L N 1.719 123.014 121.223 0.120 0.000 2.395 207 L HA 0.342 4.772 4.340 0.151 0.000 0.218 207 L C 1.808 178.747 176.870 0.115 0.000 1.130 207 L CA 1.590 56.477 54.840 0.079 0.000 0.826 207 L CB -1.652 40.445 42.059 0.063 0.000 0.941 207 L HN 0.760 nan 8.230 nan 0.000 0.451 208 G N -0.947 107.974 108.800 0.201 0.000 2.741 208 G HA2 0.175 4.225 3.960 0.151 0.000 0.222 208 G HA3 0.175 4.225 3.960 0.151 0.000 0.222 208 G C 0.736 175.704 174.900 0.115 0.000 1.364 208 G CA -0.369 44.853 45.100 0.203 0.000 0.866 208 G HN 0.980 nan 8.290 nan 0.000 0.555 209 G N -1.566 107.279 108.800 0.074 0.000 2.176 209 G HA2 -0.188 3.862 3.960 0.151 0.000 0.253 209 G HA3 -0.188 3.862 3.960 0.151 0.000 0.253 209 G C 0.115 175.034 174.900 0.032 0.000 0.979 209 G CA 1.102 46.231 45.100 0.049 0.000 0.641 209 G HN 1.376 nan 8.290 nan 0.000 0.530 210 D N 0.952 121.372 120.400 0.033 0.000 2.351 210 D HA 0.293 5.023 4.640 0.151 0.000 0.251 210 D C 0.295 176.566 176.300 -0.048 0.000 1.137 210 D CA -0.003 54.011 54.000 0.023 0.000 0.879 210 D CB 1.418 42.259 40.800 0.068 0.000 1.181 210 D HN 0.481 nan 8.370 nan 0.000 0.448 211 E N 2.388 122.573 120.200 -0.025 0.000 2.259 211 E HA 0.276 4.716 4.350 0.151 0.000 0.281 211 E C -0.667 175.907 176.600 -0.043 0.000 1.037 211 E CA -0.338 56.026 56.400 -0.060 0.000 0.854 211 E CB 0.671 30.400 29.700 0.048 0.000 1.051 211 E HN 0.373 nan 8.360 nan 0.000 0.409 212 I N 4.442 124.849 120.570 -0.272 0.000 2.474 212 I HA 0.267 4.528 4.170 0.151 0.000 0.294 212 I C -0.891 175.245 176.117 0.031 0.000 1.005 212 I CA -0.934 60.282 61.300 -0.140 0.000 1.113 212 I CB 1.206 38.974 38.000 -0.388 0.000 1.289 212 I HN 0.489 nan 8.210 nan 0.000 0.436 213 F N 6.266 126.214 119.950 -0.003 0.000 2.385 213 F HA 0.446 5.064 4.527 0.151 0.000 0.360 213 F C -0.086 175.775 175.800 0.101 0.000 1.122 213 F CA -0.527 57.506 58.000 0.054 0.000 1.090 213 F CB 1.194 40.207 39.000 0.021 0.000 1.150 213 F HN 0.196 nan 8.300 nan 0.000 0.472 214 L N 5.544 126.899 121.223 0.220 0.000 2.305 214 L HA 0.584 5.014 4.340 0.151 0.000 0.284 214 L C -1.375 175.541 176.870 0.076 0.000 1.013 214 L CA -0.569 54.364 54.840 0.154 0.000 0.819 214 L CB 0.999 43.135 42.059 0.129 0.000 1.227 214 L HN 0.469 nan 8.230 nan 0.000 0.417 215 L N 5.875 127.144 121.223 0.076 0.000 2.264 215 L HA 0.487 4.918 4.340 0.151 0.000 0.289 215 L C -0.112 176.768 176.870 0.017 0.000 1.044 215 L CA -0.589 54.283 54.840 0.053 0.000 0.807 215 L CB 1.025 43.123 42.059 0.066 0.000 1.192 215 L HN 0.789 nan 8.230 nan 0.000 0.425 216 C N -0.442 118.856 119.300 -0.003 0.000 3.235 216 C HA 0.663 5.214 4.460 0.151 0.000 0.351 216 C C -0.251 174.727 174.990 -0.019 0.000 1.520 216 C CA -1.022 57.983 59.018 -0.022 0.000 1.474 216 C CB 1.720 29.428 27.740 -0.052 0.000 2.019 216 C HN 0.605 nan 8.230 nan 0.000 0.446 217 D N 0.284 120.668 120.400 -0.026 0.000 2.387 217 D HA 0.282 5.012 4.640 0.151 0.000 0.251 217 D C -0.301 175.980 176.300 -0.032 0.000 1.141 217 D CA -0.206 53.779 54.000 -0.023 0.000 0.987 217 D CB 0.538 41.325 40.800 -0.022 0.000 1.116 217 D HN 0.570 nan 8.370 nan 0.000 0.491 218 K N 0.436 120.819 120.400 -0.029 0.000 2.438 218 K HA 0.056 4.467 4.320 0.151 0.000 0.270 218 K C -0.404 176.173 176.600 -0.038 0.000 1.095 218 K CA 0.266 56.534 56.287 -0.032 0.000 1.174 218 K CB -0.221 32.263 32.500 -0.027 0.000 0.830 218 K HN 0.255 nan 8.250 nan 0.000 0.487 219 V N 0.932 120.822 119.914 -0.040 0.000 3.126 219 V HA 0.410 4.620 4.120 0.151 0.000 0.314 219 V C -0.946 175.132 176.094 -0.026 0.000 1.138 219 V CA -1.127 61.150 62.300 -0.039 0.000 1.034 219 V CB 1.966 33.760 31.823 -0.049 0.000 1.075 219 V HN 0.662 nan 8.190 nan 0.000 0.442 220 Q N 1.308 121.098 119.800 -0.018 0.000 2.372 220 Q HA 0.330 4.760 4.340 0.151 0.000 0.259 220 Q C 0.664 176.674 176.000 0.018 0.000 0.993 220 Q CA -0.559 55.241 55.803 -0.005 0.000 0.854 220 Q CB 1.925 30.657 28.738 -0.010 0.000 1.231 220 Q HN 0.916 nan 8.270 nan 0.000 0.462 221 K N 1.040 121.459 120.400 0.031 0.000 2.444 221 K HA -0.224 4.187 4.320 0.151 0.000 0.200 221 K C 0.035 176.681 176.600 0.076 0.000 1.045 221 K CA 1.767 58.099 56.287 0.075 0.000 0.934 221 K CB 0.148 32.691 32.500 0.072 0.000 0.756 221 K HN 0.436 nan 8.250 nan 0.000 0.477 222 E N 0.666 120.888 120.200 0.038 0.000 2.501 222 E HA 0.102 4.542 4.350 0.151 0.000 0.201 222 E C -0.627 175.974 176.600 0.001 0.000 1.016 222 E CA -0.029 56.382 56.400 0.019 0.000 0.920 222 E CB 0.652 30.359 29.700 0.011 0.000 1.023 222 E HN 0.296 nan 8.360 nan 0.000 0.474 223 D N 0.832 121.235 120.400 0.005 0.000 2.934 223 D HA 0.243 4.973 4.640 0.151 0.000 0.249 223 D C -1.272 175.021 176.300 -0.011 0.000 1.293 223 D CA -0.290 53.700 54.000 -0.017 0.000 0.812 223 D CB 0.141 40.924 40.800 -0.029 0.000 1.439 223 D HN 0.017 nan 8.370 nan 0.000 0.555 224 I N 1.902 122.483 120.570 0.018 0.000 2.746 224 I HA 0.291 4.551 4.170 0.151 0.000 0.290 224 I C -1.859 174.340 176.117 0.138 0.000 1.600 224 I CA -0.301 61.024 61.300 0.042 0.000 1.019 224 I CB 2.008 40.036 38.000 0.046 0.000 1.426 224 I HN 0.416 nan 8.210 nan 0.000 0.460 225 E N 5.870 126.126 120.200 0.093 0.000 2.412 225 E HA 0.612 5.052 4.350 0.151 0.000 0.279 225 E C -1.767 174.864 176.600 0.051 0.000 0.984 225 E CA -0.879 55.618 56.400 0.161 0.000 0.788 225 E CB 2.414 32.131 29.700 0.028 0.000 1.277 225 E HN 0.182 nan 8.360 nan 0.000 0.455 226 V N 2.263 122.203 119.914 0.043 0.000 2.368 226 V HA 0.161 4.371 4.120 0.151 0.000 0.266 226 V C -1.053 175.044 176.094 0.004 0.000 1.045 226 V CA -0.545 61.630 62.300 -0.208 0.000 0.899 226 V CB -0.263 31.165 31.823 -0.659 0.000 1.006 226 V HN 0.604 nan 8.190 nan 0.000 0.470 227 Y N 6.426 126.595 120.300 -0.218 0.000 2.385 227 Y HA 0.632 5.273 4.550 0.152 0.000 0.341 227 Y C -0.708 175.066 175.900 -0.210 0.000 0.965 227 Y CA -1.561 56.459 58.100 -0.134 0.000 1.180 227 Y CB 0.751 39.138 38.460 -0.121 0.000 1.139 227 Y HN 0.511 nan 8.280 nan 0.000 0.502 228 F N 4.019 123.729 119.950 -0.400 0.000 2.399 228 F HA 0.621 5.238 4.527 0.151 0.000 0.334 228 F C 0.665 176.031 175.800 -0.724 0.000 1.097 228 F CA -0.169 57.578 58.000 -0.421 0.000 1.076 228 F CB 1.799 40.646 39.000 -0.255 0.000 1.162 228 F HN 0.538 nan 8.300 nan 0.000 0.495 229 T N -0.796 113.636 114.554 -0.204 0.000 2.618 229 T HA 0.964 5.404 4.350 0.151 0.000 0.293 229 T C -0.289 174.572 174.700 0.269 0.000 1.093 229 T CA -0.359 61.656 62.100 -0.141 0.000 1.061 229 T CB 1.590 70.285 68.868 -0.288 0.000 1.498 229 T HN 1.176 nan 8.240 nan 0.000 0.494 230 G N -0.011 108.939 108.800 0.249 0.000 2.368 230 G HA2 0.435 4.486 3.960 0.151 0.000 0.269 230 G HA3 0.435 4.486 3.960 0.151 0.000 0.269 230 G C -3.029 172.016 174.900 0.241 0.000 1.291 230 G CA -0.670 44.595 45.100 0.275 0.000 0.903 230 G HN 0.780 nan 8.290 nan 0.000 0.483 231 P HA 0.366 nan 4.420 nan 0.000 0.250 231 P C 0.670 178.084 177.300 0.190 0.000 1.198 231 P CA 1.681 64.879 63.100 0.164 0.000 1.118 231 P CB -0.021 31.760 31.700 0.134 0.000 1.208 232 G N 1.721 110.624 108.800 0.171 0.000 2.352 232 G HA2 -0.155 3.895 3.960 0.151 0.000 0.283 232 G HA3 -0.155 3.895 3.960 0.151 0.000 0.283 232 G C -0.710 174.360 174.900 0.283 0.000 0.946 232 G CA -0.251 44.952 45.100 0.172 0.000 1.317 232 G HN 0.544 nan 8.290 nan 0.000 0.478 233 W N 0.242 121.575 121.300 0.054 0.000 3.298 233 W HA 0.620 5.371 4.660 0.152 0.000 0.302 233 W C -1.282 175.258 176.519 0.034 0.000 1.255 233 W CA -1.035 56.345 57.345 0.059 0.000 1.196 233 W CB 1.031 30.562 29.460 0.118 0.000 1.364 233 W HN 0.274 nan 8.180 nan 0.000 0.566 234 E N 2.833 122.548 120.200 -0.808 0.000 2.304 234 E HA 0.693 5.133 4.350 0.151 0.000 0.277 234 E C -1.145 174.826 176.600 -1.048 0.000 0.898 234 E CA -0.769 55.132 56.400 -0.833 0.000 0.764 234 E CB 2.032 31.563 29.700 -0.281 0.000 1.216 234 E HN 0.545 nan 8.360 nan 0.000 0.419 235 A N 2.971 125.220 122.820 -0.951 0.000 2.566 235 A HA 0.861 5.272 4.320 0.151 0.000 0.292 235 A C -1.177 176.356 177.584 -0.084 0.000 1.112 235 A CA -0.746 50.977 52.037 -0.524 0.000 0.707 235 A CB 1.673 20.277 19.000 -0.659 0.000 1.302 235 A HN 0.557 nan 8.150 nan 0.000 0.409 236 R N -0.002 120.528 120.500 0.048 0.000 2.574 236 R HA 0.523 4.954 4.340 0.151 0.000 0.288 236 R C 0.178 176.615 176.300 0.228 0.000 1.004 236 R CA -0.399 55.817 56.100 0.192 0.000 0.895 236 R CB 2.230 32.595 30.300 0.109 0.000 1.191 236 R HN 1.028 nan 8.270 nan 0.000 0.444 237 G N 0.828 109.877 108.800 0.415 0.000 2.544 237 G HA2 0.211 4.261 3.960 0.151 0.000 0.242 237 G HA3 0.211 4.261 3.960 0.151 0.000 0.242 237 G C -0.151 175.002 174.900 0.422 0.000 1.247 237 G CA -0.331 45.118 45.100 0.581 0.000 0.840 237 G HN 0.513 nan 8.290 nan 0.000 0.578 238 S N 0.084 116.023 115.700 0.397 0.000 2.451 238 S HA 0.814 5.374 4.470 0.151 0.000 0.301 238 S C -0.660 174.145 174.600 0.341 0.000 1.116 238 S CA -0.793 57.527 58.200 0.200 0.000 1.093 238 S CB 0.895 64.159 63.200 0.105 0.000 1.017 238 S HN 1.211 nan 8.310 nan 0.000 0.482 239 F N -0.750 119.264 119.950 0.107 0.000 2.688 239 F HA 0.719 5.336 4.527 0.150 0.000 0.308 239 F C -0.461 175.368 175.800 0.048 0.000 1.117 239 F CA -1.062 56.989 58.000 0.086 0.000 0.976 239 F CB 0.555 39.618 39.000 0.105 0.000 1.291 239 F HN 0.632 nan 8.300 nan 0.000 0.439 240 S N 1.177 116.968 115.700 0.152 0.000 2.652 240 S HA 0.284 4.844 4.470 0.151 0.000 0.270 240 S C 0.552 175.263 174.600 0.184 0.000 1.243 240 S CA -0.604 57.640 58.200 0.073 0.000 0.999 240 S CB 1.496 64.742 63.200 0.076 0.000 0.973 240 S HN 0.851 nan 8.310 nan 0.000 0.544 241 Q N 0.482 120.352 119.800 0.117 0.000 2.234 241 Q HA -0.139 4.291 4.340 0.151 0.000 0.206 241 Q C 2.212 178.297 176.000 0.141 0.000 0.980 241 Q CA 1.404 57.296 55.803 0.148 0.000 0.869 241 Q CB -0.617 28.172 28.738 0.085 0.000 0.912 241 Q HN 0.913 nan 8.270 nan 0.000 0.436 242 A N 1.126 124.017 122.820 0.118 0.000 2.172 242 A HA -0.153 4.257 4.320 0.151 0.000 0.216 242 A C 1.342 178.987 177.584 0.101 0.000 1.154 242 A CA 1.105 53.200 52.037 0.096 0.000 0.701 242 A CB -0.012 19.035 19.000 0.078 0.000 0.789 242 A HN 0.199 nan 8.150 nan 0.000 0.465 243 D N -0.538 119.946 120.400 0.141 0.000 2.349 243 D HA 0.095 4.825 4.640 0.151 0.000 0.215 243 D C -0.087 176.227 176.300 0.022 0.000 1.016 243 D CA 0.392 54.449 54.000 0.095 0.000 0.870 243 D CB 0.352 41.261 40.800 0.181 0.000 0.917 243 D HN 0.162 nan 8.370 nan 0.000 0.524 244 V N 1.594 121.546 119.914 0.064 0.000 2.385 244 V HA 0.058 4.268 4.120 0.151 0.000 0.269 244 V C -0.123 176.014 176.094 0.071 0.000 1.043 244 V CA -0.603 61.701 62.300 0.007 0.000 0.906 244 V CB 1.067 32.909 31.823 0.032 0.000 0.995 244 V HN 0.082 nan 8.190 nan 0.000 0.467 245 H N 5.797 124.840 119.070 -0.046 0.000 2.552 245 H HA 0.440 5.087 4.556 0.151 0.000 0.311 245 H C 0.762 176.085 175.328 -0.010 0.000 1.071 245 H CA -0.660 55.377 56.048 -0.018 0.000 1.307 245 H CB 0.350 30.105 29.762 -0.013 0.000 1.416 245 H HN 0.475 nan 8.280 nan 0.000 0.464 246 R N 3.514 123.768 120.500 -0.409 0.000 3.424 246 R HA -0.300 4.131 4.340 0.151 0.000 0.247 246 R C 0.421 176.613 176.300 -0.180 0.000 1.000 246 R CA 1.346 57.238 56.100 -0.347 0.000 0.672 246 R CB -1.888 28.089 30.300 -0.538 0.000 1.042 246 R HN 1.025 nan 8.270 nan 0.000 0.470 247 Q N -3.434 116.305 119.800 -0.101 0.000 2.305 247 Q HA -0.283 4.148 4.340 0.151 0.000 0.203 247 Q C 0.591 176.559 176.000 -0.054 0.000 0.663 247 Q CA 1.561 57.327 55.803 -0.061 0.000 1.389 247 Q CB -1.449 27.257 28.738 -0.053 0.000 1.566 247 Q HN 0.518 nan 8.270 nan 0.000 0.755 248 V N -4.932 114.951 119.914 -0.053 0.000 3.346 248 V HA 0.796 5.007 4.120 0.151 0.000 0.309 248 V C 0.045 176.143 176.094 0.007 0.000 1.457 248 V CA 0.375 62.661 62.300 -0.024 0.000 1.069 248 V CB 1.195 33.008 31.823 -0.016 0.000 0.944 248 V HN 0.352 nan 8.190 nan 0.000 0.449 249 A N 0.793 123.623 122.820 0.017 0.000 2.465 249 A HA 0.859 5.270 4.320 0.151 0.000 0.292 249 A C -1.187 176.372 177.584 -0.041 0.000 1.041 249 A CA -0.370 51.688 52.037 0.035 0.000 0.718 249 A CB 1.471 20.556 19.000 0.141 0.000 1.266 249 A HN 0.319 nan 8.150 nan 0.000 0.403 250 I N 2.271 122.766 120.570 -0.124 0.000 2.406 250 I HA 0.468 4.728 4.170 0.151 0.000 0.290 250 I C -0.763 175.233 176.117 -0.202 0.000 0.999 250 I CA -1.025 60.111 61.300 -0.273 0.000 1.124 250 I CB 2.139 39.826 38.000 -0.522 0.000 1.289 250 I HN 0.312 nan 8.210 nan 0.000 0.441 251 V N 7.326 127.081 119.914 -0.264 0.000 2.334 251 V HA 0.467 4.678 4.120 0.151 0.000 0.281 251 V C -0.318 175.761 176.094 -0.026 0.000 1.016 251 V CA -0.401 61.689 62.300 -0.350 0.000 0.832 251 V CB 0.699 32.083 31.823 -0.731 0.000 0.999 251 V HN 0.626 nan 8.190 nan 0.000 0.439 252 F N 3.582 123.436 119.950 -0.160 0.000 2.876 252 F HA 0.975 5.593 4.527 0.152 0.000 0.358 252 F C -0.476 175.373 175.800 0.082 0.000 1.209 252 F CA -1.647 56.383 58.000 0.052 0.000 1.051 252 F CB 1.469 40.572 39.000 0.171 0.000 1.474 252 F HN 0.137 nan 8.300 nan 0.000 0.521 253 R N 0.354 120.885 120.500 0.052 0.000 2.686 253 R HA 0.406 4.837 4.340 0.151 0.000 0.286 253 R C -1.041 175.257 176.300 -0.003 0.000 0.969 253 R CA -0.680 55.368 56.100 -0.087 0.000 0.898 253 R CB 1.646 31.967 30.300 0.035 0.000 1.183 253 R HN 0.841 nan 8.270 nan 0.000 0.456 254 T N 0.913 115.393 114.554 -0.124 0.000 2.928 254 T HA 0.238 4.678 4.350 0.151 0.000 0.305 254 T C -1.833 172.843 174.700 -0.040 0.000 1.035 254 T CA -1.095 60.920 62.100 -0.141 0.000 1.145 254 T CB 0.513 69.297 68.868 -0.139 0.000 0.963 254 T HN 0.314 nan 8.240 nan 0.000 0.545 255 P HA 0.361 nan 4.420 nan 0.000 0.276 255 P C -2.813 174.573 177.300 0.143 0.000 1.252 255 P CA -2.046 61.066 63.100 0.021 0.000 0.802 255 P CB -0.305 31.375 31.700 -0.033 0.000 1.035 256 P HA 0.150 nan 4.420 nan 0.000 0.271 256 P C -0.511 176.873 177.300 0.139 0.000 1.216 256 P CA 0.134 63.305 63.100 0.118 0.000 0.776 256 P CB 0.131 31.877 31.700 0.077 0.000 0.881 257 Y N 2.095 122.161 120.300 -0.389 0.000 2.301 257 Y HA 0.285 4.926 4.550 0.150 0.000 0.328 257 Y C 1.645 177.181 175.900 -0.607 0.000 1.242 257 Y CA -0.799 56.768 58.100 -0.890 0.000 1.323 257 Y CB 1.133 38.700 38.460 -1.489 0.000 1.266 257 Y HN 0.514 nan 8.280 nan 0.000 0.527 258 A N 2.679 124.676 122.820 -1.371 0.000 1.884 258 A HA -0.279 4.132 4.320 0.151 0.000 0.219 258 A C 0.698 177.804 177.584 -0.796 0.000 1.197 258 A CA 2.170 53.611 52.037 -0.993 0.000 0.637 258 A CB -0.720 17.571 19.000 -1.182 0.000 0.827 258 A HN 0.800 nan 8.150 nan 0.000 0.450 259 D N -0.542 119.169 120.400 -1.148 0.000 2.456 259 D HA 0.296 5.026 4.640 0.151 0.000 0.219 259 D C -2.155 173.900 176.300 -0.408 0.000 1.126 259 D CA -2.280 51.344 54.000 -0.626 0.000 0.890 259 D CB 0.879 41.347 40.800 -0.552 0.000 1.025 259 D HN 0.145 nan 8.370 nan 0.000 0.511 260 P HA 0.053 nan 4.420 nan 0.000 0.271 260 P C -0.912 176.336 177.300 -0.086 0.000 1.535 260 P CA -0.029 62.988 63.100 -0.139 0.000 0.820 260 P CB -0.502 31.136 31.700 -0.103 0.000 1.606 261 S N -0.762 114.883 115.700 -0.092 0.000 2.592 261 S HA 0.331 4.891 4.470 0.151 0.000 0.151 261 S C -0.520 174.057 174.600 -0.039 0.000 1.280 261 S CA -0.811 57.358 58.200 -0.053 0.000 1.187 261 S CB -0.523 62.643 63.200 -0.057 0.000 1.471 261 S HN -0.171 nan 8.310 nan 0.000 0.409 262 L N 2.254 123.473 121.223 -0.006 0.000 2.395 262 L HA 0.563 4.993 4.340 0.151 0.000 0.269 262 L C 1.287 178.163 176.870 0.011 0.000 1.133 262 L CA 0.489 55.339 54.840 0.018 0.000 0.812 262 L CB 0.627 42.721 42.059 0.059 0.000 1.125 262 L HN 0.583 nan 8.230 nan 0.000 0.452 263 Q N 1.448 121.255 119.800 0.011 0.000 2.185 263 Q HA 0.541 4.972 4.340 0.151 0.000 0.234 263 Q C -0.498 175.508 176.000 0.010 0.000 0.819 263 Q CA 0.145 55.951 55.803 0.006 0.000 0.961 263 Q CB 1.485 30.223 28.738 -0.001 0.000 1.140 263 Q HN 0.686 nan 8.270 nan 0.000 0.492 264 A N 1.698 124.529 122.820 0.018 0.000 2.612 264 A HA 0.679 5.089 4.320 0.151 0.000 0.293 264 A C -2.808 174.794 177.584 0.029 0.000 1.075 264 A CA -1.185 50.863 52.037 0.017 0.000 0.680 264 A CB 1.417 20.426 19.000 0.014 0.000 1.279 264 A HN -0.165 nan 8.150 nan 0.000 0.411 265 P HA 0.471 nan 4.420 nan 0.000 0.275 265 P C -0.824 176.486 177.300 0.018 0.000 1.228 265 P CA -0.077 63.030 63.100 0.013 0.000 0.786 265 P CB 1.249 32.936 31.700 -0.021 0.000 0.927 266 V N 3.721 123.645 119.914 0.017 0.000 2.531 266 V HA 0.352 4.562 4.120 0.151 0.000 0.301 266 V C 0.613 176.706 176.094 -0.002 0.000 1.034 266 V CA -0.788 61.517 62.300 0.008 0.000 0.865 266 V CB 1.675 33.496 31.823 -0.003 0.000 0.995 266 V HN 0.446 nan 8.190 nan 0.000 0.424 267 R N 3.000 123.512 120.500 0.021 0.000 2.248 267 R HA 0.494 4.925 4.340 0.151 0.000 0.337 267 R C -0.090 176.272 176.300 0.104 0.000 1.085 267 R CA -0.138 55.989 56.100 0.045 0.000 0.934 267 R CB 1.098 31.418 30.300 0.034 0.000 1.034 267 R HN 0.734 nan 8.270 nan 0.000 0.465 268 V N -0.594 119.429 119.914 0.182 0.000 3.345 268 V HA 0.578 4.788 4.120 0.151 0.000 0.308 268 V C 0.205 176.448 176.094 0.249 0.000 1.168 268 V CA -0.861 61.602 62.300 0.273 0.000 1.024 268 V CB 1.976 34.082 31.823 0.471 0.000 1.211 268 V HN 0.440 nan 8.190 nan 0.000 0.461 269 S N 0.953 116.787 115.700 0.224 0.000 2.501 269 S HA 0.745 5.305 4.470 0.151 0.000 0.301 269 S C -0.622 173.955 174.600 -0.037 0.000 1.096 269 S CA -0.581 57.674 58.200 0.090 0.000 1.063 269 S CB 1.073 64.297 63.200 0.040 0.000 1.042 269 S HN 0.876 nan 8.310 nan 0.000 0.494 270 M N 4.238 123.737 119.600 -0.168 0.000 2.204 270 M HA 0.444 5.014 4.480 0.151 0.000 0.293 270 M C -1.751 174.358 176.300 -0.319 0.000 0.994 270 M CA -0.295 54.692 55.300 -0.521 0.000 0.925 270 M CB 1.202 33.476 32.600 -0.543 0.000 1.577 270 M HN 0.781 nan 8.290 nan 0.000 0.439 271 Q N 3.393 123.003 119.800 -0.317 0.000 2.435 271 Q HA 0.495 4.926 4.340 0.151 0.000 0.282 271 Q C -1.821 174.106 176.000 -0.123 0.000 1.020 271 Q CA -1.236 54.476 55.803 -0.151 0.000 0.820 271 Q CB 1.718 30.431 28.738 -0.041 0.000 1.436 271 Q HN 0.532 nan 8.270 nan 0.000 0.395 272 L N 1.802 122.956 121.223 -0.116 0.000 2.416 272 L HA 0.407 4.838 4.340 0.151 0.000 0.272 272 L C -0.012 176.808 176.870 -0.082 0.000 1.161 272 L CA 0.810 55.583 54.840 -0.113 0.000 0.845 272 L CB 0.533 42.526 42.059 -0.110 0.000 1.119 272 L HN 0.735 nan 8.230 nan 0.000 0.464 273 R N 2.859 123.305 120.500 -0.090 0.000 2.575 273 R HA 0.402 4.832 4.340 0.151 0.000 0.293 273 R C -0.685 175.541 176.300 -0.124 0.000 0.983 273 R CA -0.744 55.273 56.100 -0.138 0.000 0.887 273 R CB 1.068 31.223 30.300 -0.242 0.000 1.184 273 R HN 0.593 nan 8.270 nan 0.000 0.445 274 R N 6.143 126.562 120.500 -0.134 0.000 2.287 274 R HA 0.242 4.672 4.340 0.151 0.000 0.327 274 R C -2.019 174.203 176.300 -0.130 0.000 1.109 274 R CA -1.947 54.083 56.100 -0.116 0.000 1.013 274 R CB 0.971 31.198 30.300 -0.122 0.000 1.126 274 R HN 0.471 nan 8.270 nan 0.000 0.503 275 P HA -0.296 nan 4.420 nan 0.000 0.216 275 P C 1.307 178.544 177.300 -0.105 0.000 1.167 275 P CA 2.208 65.237 63.100 -0.119 0.000 0.914 275 P CB 0.143 31.786 31.700 -0.095 0.000 0.793 276 S N -0.490 115.158 115.700 -0.087 0.000 2.400 276 S HA -0.241 4.320 4.470 0.151 0.000 0.234 276 S C 1.341 175.890 174.600 -0.084 0.000 1.049 276 S CA 2.041 60.196 58.200 -0.076 0.000 1.039 276 S CB -1.265 61.896 63.200 -0.065 0.000 0.856 276 S HN 0.342 nan 8.310 nan 0.000 0.465 277 D N -0.854 119.480 120.400 -0.110 0.000 2.562 277 D HA 0.161 4.891 4.640 0.151 0.000 0.246 277 D C 0.517 176.738 176.300 -0.132 0.000 1.347 277 D CA -0.184 53.745 54.000 -0.118 0.000 0.800 277 D CB 0.006 40.715 40.800 -0.153 0.000 1.111 277 D HN 0.236 nan 8.370 nan 0.000 0.508 278 R N -0.074 120.340 120.500 -0.142 0.000 3.977 278 R HA -0.215 4.216 4.340 0.151 0.000 0.428 278 R C 0.367 176.570 176.300 -0.162 0.000 1.079 278 R CA 1.017 57.021 56.100 -0.161 0.000 1.269 278 R CB -2.645 27.576 30.300 -0.131 0.000 1.856 278 R HN 0.587 nan 8.270 nan 0.000 0.551 279 E N 1.470 121.574 120.200 -0.161 0.000 2.534 279 E HA 0.128 4.568 4.350 0.151 0.000 0.264 279 E C -0.245 176.277 176.600 -0.131 0.000 0.981 279 E CA 0.679 56.989 56.400 -0.151 0.000 0.948 279 E CB 0.327 29.917 29.700 -0.183 0.000 0.934 279 E HN 0.227 nan 8.360 nan 0.000 0.459 280 L N 2.108 123.274 121.223 -0.095 0.000 2.327 280 L HA 0.385 4.816 4.340 0.151 0.000 0.258 280 L C -0.075 176.767 176.870 -0.048 0.000 1.024 280 L CA -0.896 53.903 54.840 -0.068 0.000 0.825 280 L CB 2.134 44.173 42.059 -0.034 0.000 1.386 280 L HN 0.599 nan 8.230 nan 0.000 0.417 281 S N -1.077 114.601 115.700 -0.038 0.000 2.747 281 S HA 0.509 5.069 4.470 0.151 0.000 0.300 281 S C -0.491 174.098 174.600 -0.017 0.000 1.121 281 S CA -0.976 57.204 58.200 -0.033 0.000 0.995 281 S CB 1.727 64.900 63.200 -0.045 0.000 1.113 281 S HN 0.457 nan 8.310 nan 0.000 0.547 282 E N 2.432 122.624 120.200 -0.013 0.000 2.413 282 E HA 0.240 4.681 4.350 0.151 0.000 0.263 282 E C -2.048 174.547 176.600 -0.009 0.000 1.015 282 E CA -1.420 54.978 56.400 -0.004 0.000 0.916 282 E CB -0.057 29.643 29.700 0.000 0.000 0.947 282 E HN 0.507 nan 8.360 nan 0.000 0.440 283 P HA 0.172 nan 4.420 nan 0.000 0.276 283 P C -0.672 176.625 177.300 -0.004 0.000 1.244 283 P CA -0.421 62.673 63.100 -0.010 0.000 0.801 283 P CB 0.771 32.474 31.700 0.005 0.000 1.006 284 M N 1.003 120.597 119.600 -0.010 0.000 2.259 284 M HA 0.268 4.838 4.480 0.151 0.000 0.304 284 M C -0.185 176.149 176.300 0.057 0.000 1.019 284 M CA -0.365 54.946 55.300 0.019 0.000 0.922 284 M CB 1.622 34.231 32.600 0.015 0.000 1.600 284 M HN 0.227 nan 8.290 nan 0.000 0.433 285 E N 2.678 122.919 120.200 0.069 0.000 2.437 285 E HA 0.249 4.690 4.350 0.151 0.000 0.263 285 E C -1.451 175.254 176.600 0.176 0.000 1.030 285 E CA 0.702 57.159 56.400 0.095 0.000 0.934 285 E CB 0.694 30.424 29.700 0.050 0.000 0.943 285 E HN 0.529 nan 8.360 nan 0.000 0.444 286 F N 1.806 121.761 119.950 0.009 0.000 2.639 286 F HA 0.128 4.745 4.527 0.151 0.000 0.320 286 F C -1.665 174.103 175.800 -0.053 0.000 1.128 286 F CA -0.556 57.438 58.000 -0.009 0.000 1.037 286 F CB 1.313 40.347 39.000 0.057 0.000 1.288 286 F HN 0.362 nan 8.300 nan 0.000 0.463 287 Q N 4.857 124.271 119.800 -0.643 0.000 2.353 287 Q HA 0.495 4.925 4.340 0.151 0.000 0.268 287 Q C -1.955 173.708 176.000 -0.563 0.000 1.045 287 Q CA -0.839 54.735 55.803 -0.383 0.000 0.811 287 Q CB 2.606 31.201 28.738 -0.238 0.000 1.305 287 Q HN 0.703 nan 8.270 nan 0.000 0.447 288 Y N 1.514 121.697 120.300 -0.195 0.000 2.316 288 Y HA 0.505 5.145 4.550 0.150 0.000 0.324 288 Y C -0.039 175.801 175.900 -0.100 0.000 1.267 288 Y CA -0.400 57.635 58.100 -0.109 0.000 1.311 288 Y CB 1.215 39.593 38.460 -0.137 0.000 1.267 288 Y HN 0.505 nan 8.280 nan 0.000 0.516 289 L N 2.774 124.072 121.223 0.125 0.000 2.333 289 L HA 0.541 4.971 4.340 0.151 0.000 0.263 289 L C -2.569 174.349 176.870 0.081 0.000 1.014 289 L CA -2.621 52.254 54.840 0.058 0.000 0.820 289 L CB 1.887 43.947 42.059 0.000 0.000 1.352 289 L HN 0.330 nan 8.230 nan 0.000 0.421 290 P HA -0.094 nan 4.420 nan 0.000 0.267 290 P C -0.376 176.948 177.300 0.040 0.000 1.195 290 P CA 0.108 63.231 63.100 0.039 0.000 0.773 290 P CB 0.351 32.064 31.700 0.021 0.000 0.837 1009 A N 3.304 126.147 122.820 0.039 0.000 2.350 1009 A HA 0.667 5.077 4.320 0.151 0.000 0.293 1009 A C -1.794 175.819 177.584 0.049 0.000 1.231 1009 A CA -0.888 51.174 52.037 0.042 0.000 0.883 1009 A CB -0.620 18.398 19.000 0.030 0.000 1.133 1009 A HN 0.533 nan 8.150 nan 0.000 0.533 1010 P HA 0.158 nan 4.420 nan 0.000 0.269 1010 P C 0.060 177.398 177.300 0.064 0.000 1.211 1010 P CA -0.138 63.002 63.100 0.066 0.000 0.781 1010 P CB 0.374 32.117 31.700 0.072 0.000 0.877 1011 R N 1.967 122.507 120.500 0.067 0.000 2.389 1011 R HA 0.238 4.668 4.340 0.151 0.000 0.295 1011 R C -0.860 175.495 176.300 0.092 0.000 1.075 1011 R CA -0.390 55.749 56.100 0.064 0.000 1.005 1011 R CB -0.232 30.107 30.300 0.064 0.000 0.987 1011 R HN 0.308 nan 8.270 nan 0.000 0.452 1012 V N 4.871 124.834 119.914 0.081 0.000 2.338 1012 V HA 0.341 4.551 4.120 0.151 0.000 0.255 1012 V C 0.193 176.427 176.094 0.232 0.000 1.082 1012 V CA -0.613 61.772 62.300 0.143 0.000 0.951 1012 V CB 0.017 31.834 31.823 -0.009 0.000 1.102 1012 V HN 0.502 nan 8.190 nan 0.000 0.489 1013 L N 4.111 125.478 121.223 0.241 0.000 2.326 1013 L HA 0.340 4.771 4.340 0.151 0.000 0.278 1013 L C 1.185 178.237 176.870 0.304 0.000 1.092 1013 L CA -0.336 54.656 54.840 0.253 0.000 0.810 1013 L CB 1.449 43.607 42.059 0.165 0.000 1.153 1013 L HN 0.694 nan 8.230 nan 0.000 0.439 1014 F N 2.745 122.779 119.950 0.139 0.000 2.126 1014 F HA -0.138 4.479 4.527 0.150 0.000 0.299 1014 F C 1.954 177.795 175.800 0.068 0.000 1.096 1014 F CA 2.010 59.959 58.000 -0.084 0.000 1.255 1014 F CB 0.019 38.794 39.000 -0.376 0.000 0.997 1014 F HN 0.611 nan 8.300 nan 0.000 0.479 1015 G N -0.778 108.109 108.800 0.145 0.000 2.402 1015 G HA2 -0.254 3.796 3.960 0.151 0.000 0.216 1015 G HA3 -0.254 3.796 3.960 0.151 0.000 0.216 1015 G C 1.583 176.503 174.900 0.034 0.000 1.162 1015 G CA 0.711 45.886 45.100 0.124 0.000 0.777 1015 G HN 0.441 nan 8.290 nan 0.000 0.539 1016 E N -0.682 119.553 120.200 0.058 0.000 2.106 1016 E HA -0.147 4.293 4.350 0.151 0.000 0.192 1016 E C 2.048 178.671 176.600 0.037 0.000 0.984 1016 E CA 0.777 57.208 56.400 0.051 0.000 0.806 1016 E CB -0.222 29.524 29.700 0.077 0.000 0.750 1016 E HN 0.609 nan 8.360 nan 0.000 0.458 1017 W N 1.235 122.451 121.300 -0.141 0.000 2.358 1017 W HA -0.154 4.596 4.660 0.150 0.000 0.303 1017 W C 1.919 178.241 176.519 -0.328 0.000 1.208 1017 W CA 1.111 58.361 57.345 -0.158 0.000 1.274 1017 W CB -0.371 29.059 29.460 -0.051 0.000 1.138 1017 W HN 0.044 nan 8.180 nan 0.000 0.515 1018 L N 0.317 121.287 121.223 -0.423 0.000 2.046 1018 L HA -0.219 4.211 4.340 0.151 0.000 0.208 1018 L C 2.353 178.812 176.870 -0.685 0.000 1.077 1018 L CA 1.535 55.908 54.840 -0.778 0.000 0.747 1018 L CB -0.657 40.868 42.059 -0.889 0.000 0.896 1018 L HN 0.099 nan 8.230 nan 0.000 0.432 1019 L N -0.881 120.115 121.223 -0.378 0.000 2.083 1019 L HA -0.149 4.281 4.340 0.151 0.000 0.209 1019 L C 2.610 179.357 176.870 -0.204 0.000 1.083 1019 L CA 1.287 55.997 54.840 -0.217 0.000 0.752 1019 L CB -1.202 40.891 42.059 0.056 0.000 0.899 1019 L HN 0.342 nan 8.230 nan 0.000 0.433 1020 G N -0.478 108.175 108.800 -0.246 0.000 2.418 1020 G HA2 -0.207 3.844 3.960 0.151 0.000 0.217 1020 G HA3 -0.207 3.844 3.960 0.151 0.000 0.217 1020 G C 1.469 176.173 174.900 -0.326 0.000 1.158 1020 G CA 0.325 45.297 45.100 -0.213 0.000 0.771 1020 G HN 0.252 nan 8.290 nan 0.000 0.545 1021 E N 0.614 120.444 120.200 -0.616 0.000 2.106 1021 E HA -0.034 4.407 4.350 0.151 0.000 0.192 1021 E C 2.593 178.882 176.600 -0.518 0.000 0.984 1021 E CA 0.406 56.404 56.400 -0.671 0.000 0.806 1021 E CB -0.270 28.672 29.700 -1.263 0.000 0.750 1021 E HN 0.552 nan 8.360 nan 0.000 0.458 1022 I N 0.810 121.001 120.570 -0.633 0.000 2.252 1022 I HA -0.222 4.039 4.170 0.151 0.000 0.245 1022 I C 2.235 178.117 176.117 -0.392 0.000 1.102 1022 I CA 0.889 61.787 61.300 -0.670 0.000 1.385 1022 I CB -0.231 37.036 38.000 -1.222 0.000 1.064 1022 I HN -0.057 nan 8.210 nan 0.000 0.414 1023 S N 0.608 116.219 115.700 -0.148 0.000 2.383 1023 S HA -0.157 4.403 4.470 0.151 0.000 0.227 1023 S C 2.214 176.845 174.600 0.051 0.000 1.026 1023 S CA 1.494 59.786 58.200 0.154 0.000 0.981 1023 S CB -0.332 63.011 63.200 0.237 0.000 0.818 1023 S HN 0.636 nan 8.310 nan 0.000 0.472 1024 S N 1.257 116.945 115.700 -0.020 0.000 2.402 1024 S HA -0.047 4.513 4.470 0.151 0.000 0.233 1024 S C 1.828 176.438 174.600 0.016 0.000 1.030 1024 S CA 1.369 59.571 58.200 0.004 0.000 1.003 1024 S CB -1.110 62.100 63.200 0.017 0.000 0.813 1024 S HN 0.962 nan 8.310 nan 0.000 0.477 1025 G N -0.460 108.351 108.800 0.019 0.000 2.148 1025 G HA2 -0.280 3.770 3.960 0.151 0.000 0.254 1025 G HA3 -0.280 3.770 3.960 0.151 0.000 0.254 1025 G C 0.541 175.436 174.900 -0.008 0.000 0.981 1025 G CA 0.222 45.331 45.100 0.015 0.000 0.670 1025 G HN 0.704 nan 8.290 nan 0.000 0.528 1026 C N -0.207 119.089 119.300 -0.008 0.000 2.697 1026 C HA 0.449 4.999 4.460 0.151 0.000 0.267 1026 C C 0.263 175.000 174.990 -0.421 0.000 1.278 1026 C CA -0.323 58.576 59.018 -0.197 0.000 1.708 1026 C CB -1.187 26.381 27.740 -0.286 0.000 1.860 1026 C HN 0.433 nan 8.230 nan 0.000 0.589 1027 Y N 1.544 121.772 120.300 -0.121 0.000 2.686 1027 Y HA 0.333 4.973 4.550 0.151 0.000 0.331 1027 Y C 0.129 175.970 175.900 -0.098 0.000 0.996 1027 Y CA -0.981 57.044 58.100 -0.125 0.000 1.293 1027 Y CB -0.036 38.310 38.460 -0.189 0.000 1.092 1027 Y HN 0.104 nan 8.280 nan 0.000 0.524 1028 E N 1.776 121.978 120.200 0.005 0.000 2.694 1028 E HA 0.109 4.549 4.350 0.151 0.000 0.250 1028 E C 1.279 177.897 176.600 0.031 0.000 0.963 1028 E CA 1.336 57.742 56.400 0.009 0.000 0.949 1028 E CB 0.349 30.047 29.700 -0.004 0.000 0.911 1028 E HN 0.976 nan 8.360 nan 0.000 0.500 1029 G N 2.892 111.704 108.800 0.020 0.000 2.279 1029 G HA2 -0.254 3.797 3.960 0.151 0.000 0.223 1029 G HA3 -0.254 3.797 3.960 0.151 0.000 0.223 1029 G C 0.155 175.060 174.900 0.008 0.000 1.015 1029 G CA -0.108 45.005 45.100 0.021 0.000 0.621 1029 G HN 0.475 nan 8.290 nan 0.000 0.506 1030 L N 2.612 123.830 121.223 -0.009 0.000 2.315 1030 L HA 0.533 4.964 4.340 0.151 0.000 0.278 1030 L C 0.327 177.119 176.870 -0.129 0.000 1.088 1030 L CA -0.037 54.754 54.840 -0.081 0.000 0.899 1030 L CB 0.109 42.071 42.059 -0.161 0.000 1.277 1030 L HN 0.662 nan 8.230 nan 0.000 0.431 1031 Q N 2.562 122.300 119.800 -0.104 0.000 2.456 1031 Q HA 0.345 4.775 4.340 0.151 0.000 0.284 1031 Q C -1.651 174.327 176.000 -0.037 0.000 1.061 1031 Q CA -1.006 54.736 55.803 -0.100 0.000 0.799 1031 Q CB 1.101 29.839 28.738 0.001 0.000 1.445 1031 Q HN 0.306 nan 8.270 nan 0.000 0.411 1032 W N 1.333 122.678 121.300 0.075 0.000 2.190 1032 W HA 0.303 5.053 4.660 0.150 0.000 0.330 1032 W C 0.399 176.968 176.519 0.083 0.000 1.299 1032 W CA -0.496 56.916 57.345 0.111 0.000 1.215 1032 W CB 0.690 30.190 29.460 0.067 0.000 1.147 1032 W HN 0.539 nan 8.180 nan 0.000 0.563 1033 L N 3.380 124.828 121.223 0.375 0.000 2.818 1033 L HA 0.180 4.610 4.340 0.151 0.000 0.243 1033 L C -0.459 176.508 176.870 0.160 0.000 1.185 1033 L CA 0.026 54.989 54.840 0.205 0.000 0.988 1033 L CB -0.910 41.238 42.059 0.148 0.000 1.292 1033 L HN 0.445 nan 8.230 nan 0.000 0.519 1034 D N -3.264 117.239 120.400 0.171 0.000 2.710 1034 D HA 0.100 4.830 4.640 0.151 0.000 0.276 1034 D C 0.328 176.634 176.300 0.011 0.000 1.267 1034 D CA 0.159 54.206 54.000 0.077 0.000 0.772 1034 D CB 1.108 41.946 40.800 0.063 0.000 1.299 1034 D HN -0.191 nan 8.370 nan 0.000 0.421 1035 E N -0.181 120.004 120.200 -0.025 0.000 2.216 1035 E HA 0.267 4.707 4.350 0.151 0.000 0.192 1035 E C 1.870 178.390 176.600 -0.134 0.000 0.988 1035 E CA 1.489 57.847 56.400 -0.071 0.000 0.834 1035 E CB -0.504 29.169 29.700 -0.045 0.000 0.772 1035 E HN 0.665 nan 8.360 nan 0.000 0.479 1036 A N -0.405 122.344 122.820 -0.117 0.000 2.016 1036 A HA 0.251 4.662 4.320 0.151 0.000 0.217 1036 A C 1.400 178.814 177.584 -0.283 0.000 1.162 1036 A CA 0.906 52.855 52.037 -0.148 0.000 0.662 1036 A CB 0.027 18.978 19.000 -0.081 0.000 0.812 1036 A HN 0.418 nan 8.150 nan 0.000 0.450 1037 R N -1.225 119.057 120.500 -0.362 0.000 3.125 1037 R HA -0.124 4.306 4.340 0.151 0.000 0.258 1037 R C 0.547 176.592 176.300 -0.425 0.000 0.968 1037 R CA 0.794 56.383 56.100 -0.852 0.000 0.656 1037 R CB -2.322 27.026 30.300 -1.586 0.000 1.251 1037 R HN 0.754 nan 8.270 nan 0.000 0.428 1038 T N -4.844 109.740 114.554 0.051 0.000 2.986 1038 T HA 0.315 4.755 4.350 0.151 0.000 0.264 1038 T C 0.598 175.533 174.700 0.391 0.000 0.964 1038 T CA 0.148 62.375 62.100 0.211 0.000 0.895 1038 T CB 0.561 69.485 68.868 0.094 0.000 1.163 1038 T HN 0.298 nan 8.240 nan 0.000 0.517 1039 C N 2.197 121.775 119.300 0.464 0.000 2.634 1039 C HA 0.945 5.495 4.460 0.151 0.000 0.313 1039 C C -1.236 174.083 174.990 0.548 0.000 1.198 1039 C CA -1.161 58.074 59.018 0.362 0.000 1.605 1039 C CB 1.014 28.864 27.740 0.184 0.000 2.196 1039 C HN 0.688 nan 8.230 nan 0.000 0.486 1040 F N 0.256 120.342 119.950 0.226 0.000 2.693 1040 F HA 0.776 5.393 4.527 0.150 0.000 0.309 1040 F C -0.918 174.930 175.800 0.079 0.000 1.129 1040 F CA -1.225 56.813 58.000 0.062 0.000 0.948 1040 F CB 1.001 39.830 39.000 -0.284 0.000 1.315 1040 F HN 0.649 nan 8.300 nan 0.000 0.447 1041 R N 1.355 121.998 120.500 0.237 0.000 2.589 1041 R HA 0.901 5.331 4.340 0.151 0.000 0.293 1041 R C -2.022 174.464 176.300 0.311 0.000 0.963 1041 R CA -1.099 55.123 56.100 0.204 0.000 0.905 1041 R CB 2.078 32.396 30.300 0.030 0.000 1.144 1041 R HN 0.565 nan 8.270 nan 0.000 0.459 1042 V N 2.975 123.132 119.914 0.405 0.000 2.487 1042 V HA 0.388 4.598 4.120 0.151 0.000 0.298 1042 V C -2.133 174.247 176.094 0.477 0.000 1.028 1042 V CA -2.422 60.129 62.300 0.418 0.000 0.860 1042 V CB 1.835 34.051 31.823 0.655 0.000 0.991 1042 V HN 0.818 nan 8.190 nan 0.000 0.427 1043 P HA -0.034 nan 4.420 nan 0.000 0.264 1043 P C -0.443 177.207 177.300 0.584 0.000 1.193 1043 P CA 0.098 63.426 63.100 0.380 0.000 0.763 1043 P CB 0.669 32.504 31.700 0.224 0.000 0.810 1044 W N 4.552 126.033 121.300 0.301 0.000 1.259 1044 W HA 0.193 4.943 4.660 0.150 0.000 0.299 1044 W C -0.211 176.399 176.519 0.152 0.000 0.843 1044 W CA -0.519 56.967 57.345 0.235 0.000 2.171 1044 W CB 0.609 30.163 29.460 0.156 0.000 1.945 1044 W HN 0.311 nan 8.180 nan 0.000 0.493 1045 K N 1.772 122.368 120.400 0.327 0.000 2.350 1045 K HA -0.040 4.371 4.320 0.151 0.000 0.279 1045 K C 0.500 177.272 176.600 0.286 0.000 1.027 1045 K CA -0.089 56.379 56.287 0.302 0.000 0.969 1045 K CB 0.545 33.216 32.500 0.285 0.000 0.954 1045 K HN 0.063 nan 8.250 nan 0.000 0.474 1046 H N 4.919 124.097 119.070 0.179 0.000 3.034 1046 H HA -0.097 4.550 4.556 0.151 0.000 0.324 1046 H C 0.185 175.682 175.328 0.281 0.000 1.015 1046 H CA 1.025 57.150 56.048 0.130 0.000 1.429 1046 H CB 0.276 30.098 29.762 0.101 0.000 1.429 1046 H HN 0.673 nan 8.280 nan 0.000 0.585 1047 F N 2.801 122.692 119.950 -0.100 0.000 2.802 1047 F HA -0.010 4.607 4.527 0.151 0.000 0.300 1047 F C 2.192 178.044 175.800 0.087 0.000 1.168 1047 F CA 0.184 58.157 58.000 -0.045 0.000 1.433 1047 F CB 0.325 39.207 39.000 -0.197 0.000 1.115 1047 F HN 0.608 nan 8.300 nan 0.000 0.582 1048 A N 0.378 123.514 122.820 0.527 0.000 2.169 1048 A HA 0.017 4.428 4.320 0.151 0.000 0.212 1048 A C 1.092 178.754 177.584 0.130 0.000 1.153 1048 A CA -0.086 52.114 52.037 0.272 0.000 0.756 1048 A CB -0.283 18.850 19.000 0.222 0.000 0.813 1048 A HN 0.143 nan 8.150 nan 0.000 0.471 1049 R N 0.643 121.235 120.500 0.152 0.000 2.449 1049 R HA 0.100 4.531 4.340 0.151 0.000 0.296 1049 R C 0.341 176.659 176.300 0.031 0.000 1.047 1049 R CA -0.023 56.120 56.100 0.070 0.000 1.018 1049 R CB 0.452 30.807 30.300 0.092 0.000 0.962 1049 R HN 0.294 nan 8.270 nan 0.000 0.428 1050 K N 1.725 122.132 120.400 0.012 0.000 2.504 1050 K HA -0.095 4.316 4.320 0.151 0.000 0.195 1050 K C 0.613 177.208 176.600 -0.008 0.000 1.036 1050 K CA 0.987 57.272 56.287 -0.003 0.000 0.984 1050 K CB 0.224 32.722 32.500 -0.003 0.000 0.788 1050 K HN 0.644 nan 8.250 nan 0.000 0.488 1051 D N 0.309 120.709 120.400 -0.001 0.000 2.369 1051 D HA -0.054 4.677 4.640 0.151 0.000 0.211 1051 D C 0.554 176.847 176.300 -0.013 0.000 1.077 1051 D CA -0.313 53.686 54.000 -0.002 0.000 0.842 1051 D CB -0.110 40.696 40.800 0.010 0.000 0.947 1051 D HN -0.033 nan 8.370 nan 0.000 0.509 1052 L N 3.033 124.239 121.223 -0.029 0.000 2.771 1052 L HA -0.031 4.399 4.340 0.151 0.000 0.278 1052 L C 0.269 177.086 176.870 -0.090 0.000 1.175 1052 L CA -0.090 54.705 54.840 -0.075 0.000 0.973 1052 L CB -0.091 41.870 42.059 -0.163 0.000 1.286 1052 L HN 0.096 nan 8.230 nan 0.000 0.481 1053 S N 2.459 118.124 115.700 -0.059 0.000 2.738 1053 S HA 0.455 5.016 4.470 0.151 0.000 0.284 1053 S C 0.886 175.458 174.600 -0.048 0.000 1.146 1053 S CA -0.044 58.131 58.200 -0.042 0.000 0.997 1053 S CB 1.240 64.434 63.200 -0.010 0.000 1.081 1053 S HN 0.724 nan 8.310 nan 0.000 0.553 1054 E N 1.507 121.695 120.200 -0.021 0.000 2.031 1054 E HA -0.093 4.347 4.350 0.151 0.000 0.193 1054 E C 1.974 178.583 176.600 0.015 0.000 0.994 1054 E CA 1.672 58.071 56.400 -0.001 0.000 0.800 1054 E CB -1.185 28.521 29.700 0.009 0.000 0.752 1054 E HN 0.746 nan 8.360 nan 0.000 0.447 1055 A N 1.064 123.890 122.820 0.010 0.000 1.986 1055 A HA -0.254 4.156 4.320 0.151 0.000 0.220 1055 A C 1.927 179.547 177.584 0.060 0.000 1.171 1055 A CA 1.953 54.002 52.037 0.020 0.000 0.640 1055 A CB -0.875 18.131 19.000 0.009 0.000 0.811 1055 A HN 0.372 nan 8.150 nan 0.000 0.451 1056 D N -0.457 119.981 120.400 0.063 0.000 2.218 1056 D HA 0.001 4.732 4.640 0.151 0.000 0.204 1056 D C 1.459 177.907 176.300 0.247 0.000 0.976 1056 D CA 1.457 55.534 54.000 0.127 0.000 0.853 1056 D CB -0.031 40.812 40.800 0.071 0.000 0.939 1056 D HN 0.475 nan 8.370 nan 0.000 0.481 1057 A N 0.013 122.943 122.820 0.183 0.000 2.589 1057 A HA 0.193 4.603 4.320 0.151 0.000 0.283 1057 A C 1.696 179.459 177.584 0.298 0.000 1.187 1057 A CA -0.315 51.979 52.037 0.427 0.000 0.957 1057 A CB 0.258 19.340 19.000 0.135 0.000 1.175 1057 A HN -0.031 nan 8.150 nan 0.000 0.532 1058 R N -0.218 120.361 120.500 0.131 0.000 2.073 1058 R HA -0.097 4.333 4.340 0.151 0.000 0.234 1058 R C 1.621 177.999 176.300 0.130 0.000 1.134 1058 R CA 2.043 58.208 56.100 0.109 0.000 0.952 1058 R CB -0.355 29.992 30.300 0.079 0.000 0.850 1058 R HN 0.388 nan 8.270 nan 0.000 0.433 1059 I N 0.247 120.759 120.570 -0.097 0.000 2.315 1059 I HA -0.130 4.130 4.170 0.151 0.000 0.248 1059 I C 1.295 177.198 176.117 -0.357 0.000 1.117 1059 I CA 1.224 62.290 61.300 -0.390 0.000 1.404 1059 I CB -0.228 37.260 38.000 -0.853 0.000 1.071 1059 I HN 0.174 nan 8.210 nan 0.000 0.419 1060 F N 0.558 120.423 119.950 -0.142 0.000 2.134 1060 F HA -0.186 4.432 4.527 0.150 0.000 0.299 1060 F C 2.517 178.291 175.800 -0.044 0.000 1.097 1060 F CA 1.607 59.573 58.000 -0.056 0.000 1.264 1060 F CB -0.792 38.234 39.000 0.044 0.000 1.001 1060 F HN -0.031 nan 8.300 nan 0.000 0.479 1061 K N 0.891 121.258 120.400 -0.054 0.000 2.097 1061 K HA -0.087 4.323 4.320 0.151 0.000 0.205 1061 K C 2.251 178.643 176.600 -0.346 0.000 1.050 1061 K CA 0.985 56.850 56.287 -0.703 0.000 0.938 1061 K CB -0.264 31.865 32.500 -0.618 0.000 0.718 1061 K HN 0.204 nan 8.250 nan 0.000 0.442 1062 A N 1.286 124.127 122.820 0.035 0.000 1.933 1062 A HA -0.202 4.208 4.320 0.151 0.000 0.218 1062 A C 1.976 179.740 177.584 0.300 0.000 1.175 1062 A CA 1.209 53.405 52.037 0.265 0.000 0.628 1062 A CB -1.081 18.230 19.000 0.518 0.000 0.814 1062 A HN 0.749 nan 8.150 nan 0.000 0.444 1063 W N 0.507 121.840 121.300 0.054 0.000 2.388 1063 W HA -0.108 4.642 4.660 0.150 0.000 0.294 1063 W C 2.236 178.624 176.519 -0.217 0.000 1.212 1063 W CA 1.311 58.503 57.345 -0.254 0.000 1.271 1063 W CB -0.037 29.418 29.460 -0.009 0.000 1.126 1063 W HN 0.433 nan 8.180 nan 0.000 0.535 1064 A N 0.287 122.963 122.820 -0.240 0.000 1.898 1064 A HA -0.167 4.244 4.320 0.151 0.000 0.216 1064 A C 1.992 179.407 177.584 -0.281 0.000 1.181 1064 A CA 2.013 53.829 52.037 -0.368 0.000 0.620 1064 A CB -1.134 17.444 19.000 -0.705 0.000 0.819 1064 A HN 0.125 nan 8.150 nan 0.000 0.442 1065 V N -0.136 119.655 119.914 -0.205 0.000 2.427 1065 V HA -0.216 3.995 4.120 0.151 0.000 0.248 1065 V C 3.026 179.043 176.094 -0.129 0.000 1.051 1065 V CA 1.811 64.072 62.300 -0.065 0.000 1.048 1065 V CB -1.151 30.688 31.823 0.026 0.000 0.666 1065 V HN 0.605 nan 8.190 nan 0.000 0.456 1066 A N -0.066 122.628 122.820 -0.210 0.000 1.972 1066 A HA -0.157 4.253 4.320 0.151 0.000 0.219 1066 A C 2.095 179.429 177.584 -0.416 0.000 1.169 1066 A CA 1.221 53.099 52.037 -0.264 0.000 0.635 1066 A CB -0.313 18.487 19.000 -0.333 0.000 0.810 1066 A HN 0.433 nan 8.150 nan 0.000 0.446 1067 R N -0.823 119.304 120.500 -0.622 0.000 2.335 1067 R HA 0.156 4.587 4.340 0.151 0.000 0.223 1067 R C 1.119 177.250 176.300 -0.282 0.000 0.940 1067 R CA 0.579 56.344 56.100 -0.558 0.000 1.086 1067 R CB -0.873 28.923 30.300 -0.841 0.000 1.073 1067 R HN 0.766 nan 8.270 nan 0.000 0.504 1068 G N 1.942 110.626 108.800 -0.192 0.000 2.198 1068 G HA2 -0.347 3.703 3.960 0.151 0.000 0.260 1068 G HA3 -0.347 3.703 3.960 0.151 0.000 0.260 1068 G C 0.686 175.566 174.900 -0.033 0.000 1.025 1068 G CA 0.373 45.419 45.100 -0.090 0.000 0.769 1068 G HN 0.394 nan 8.290 nan 0.000 0.507 1069 R N -1.281 119.218 120.500 -0.002 0.000 2.427 1069 R HA 0.263 4.693 4.340 0.151 0.000 0.262 1069 R C 0.068 176.563 176.300 0.325 0.000 0.943 1069 R CA -0.021 56.151 56.100 0.120 0.000 1.081 1069 R CB 0.555 30.929 30.300 0.124 0.000 1.166 1069 R HN 0.470 nan 8.270 nan 0.000 0.534 1070 W N 2.447 123.742 121.300 -0.007 0.000 3.775 1070 W HA 0.206 4.956 4.660 0.150 0.000 0.315 1070 W C -3.085 173.434 176.519 0.000 0.000 1.169 1070 W CA -1.869 55.502 57.345 0.042 0.000 1.266 1070 W CB 1.515 31.007 29.460 0.053 0.000 1.269 1070 W HN -0.190 nan 8.180 nan 0.000 0.471 1071 P HA 0.044 nan 4.420 nan 0.000 0.264 1071 P C -1.901 175.326 177.300 -0.122 0.000 1.193 1071 P CA -0.109 62.816 63.100 -0.293 0.000 0.763 1071 P CB 0.861 32.324 31.700 -0.394 0.000 0.810 1072 P HA 0.047 nan 4.420 nan 0.000 0.327 1072 P C 0.055 177.387 177.300 0.053 0.000 1.342 1072 P CA -0.080 63.055 63.100 0.057 0.000 0.761 1072 P CB 0.360 32.080 31.700 0.034 0.000 1.675 1073 S N -1.777 113.953 115.700 0.051 0.000 2.767 1073 S HA 0.298 4.858 4.470 0.151 0.000 0.300 1073 S C 1.339 175.953 174.600 0.023 0.000 1.123 1073 S CA -0.475 57.752 58.200 0.045 0.000 0.992 1073 S CB 0.734 63.964 63.200 0.050 0.000 1.138 1073 S HN 0.429 nan 8.310 nan 0.000 0.550 1074 S N 1.018 116.730 115.700 0.021 0.000 2.100 1074 S HA -0.248 4.312 4.470 0.151 0.000 0.516 1074 S C 0.983 175.587 174.600 0.007 0.000 0.932 1074 S CA 2.074 60.281 58.200 0.012 0.000 3.200 1074 S CB -0.709 62.498 63.200 0.013 0.000 2.242 1074 S HN 0.773 nan 8.310 nan 0.000 0.513 1080 P HA 0.467 nan 4.420 nan 0.000 0.274 1080 P C -2.514 174.810 177.300 0.039 0.000 1.256 1080 P CA -0.771 62.321 63.100 -0.013 0.000 0.795 1080 P CB 0.046 31.761 31.700 0.025 0.000 1.038 1081 P HA 0.191 nan 4.420 nan 0.000 0.292 1081 P C 0.112 177.527 177.300 0.191 0.000 1.287 1081 P CA -0.282 62.874 63.100 0.093 0.000 0.800 1081 P CB 1.623 33.360 31.700 0.061 0.000 0.945 1082 E N 2.847 123.128 120.200 0.134 0.000 2.533 1082 E HA -0.027 4.414 4.350 0.151 0.000 0.201 1082 E C 1.197 177.869 176.600 0.119 0.000 1.097 1082 E CA 0.307 56.784 56.400 0.129 0.000 0.887 1082 E CB -0.930 28.813 29.700 0.073 0.000 0.855 1082 E HN 0.490 nan 8.360 nan 0.000 0.540 1083 A N 0.409 123.323 122.820 0.157 0.000 2.223 1083 A HA -0.014 4.396 4.320 0.151 0.000 0.222 1083 A C 1.629 179.293 177.584 0.134 0.000 1.317 1083 A CA 0.333 52.443 52.037 0.121 0.000 0.985 1083 A CB -0.609 18.472 19.000 0.135 0.000 0.858 1083 A HN 0.332 nan 8.150 nan 0.000 0.496 1084 E N -0.783 119.490 120.200 0.122 0.000 2.285 1084 E HA -0.088 4.353 4.350 0.151 0.000 0.194 1084 E C 0.978 177.346 176.600 -0.387 0.000 0.997 1084 E CA 1.182 57.525 56.400 -0.094 0.000 0.845 1084 E CB 0.171 29.945 29.700 0.122 0.000 0.782 1084 E HN 0.531 nan 8.360 nan 0.000 0.491 1085 T N -0.164 114.249 114.554 -0.235 0.000 3.100 1085 T HA 0.149 4.589 4.350 0.151 0.000 0.253 1085 T C 1.466 175.991 174.700 -0.292 0.000 1.118 1085 T CA 0.536 62.467 62.100 -0.283 0.000 1.058 1085 T CB 0.345 69.112 68.868 -0.169 0.000 0.953 1085 T HN 0.190 nan 8.240 nan 0.000 0.515 1086 A N 1.645 124.310 122.820 -0.257 0.000 1.930 1086 A HA 0.010 4.421 4.320 0.151 0.000 0.215 1086 A C 2.237 179.620 177.584 -0.335 0.000 1.176 1086 A CA 0.690 52.602 52.037 -0.207 0.000 0.632 1086 A CB -0.116 18.818 19.000 -0.110 0.000 0.819 1086 A HN 0.258 nan 8.150 nan 0.000 0.445 1087 E N 0.524 120.380 120.200 -0.572 0.000 2.150 1087 E HA -0.157 4.283 4.350 0.151 0.000 0.193 1087 E C 2.041 177.798 176.600 -1.406 0.000 0.985 1087 E CA 0.769 56.578 56.400 -0.985 0.000 0.814 1087 E CB -0.367 28.524 29.700 -1.349 0.000 0.752 1087 E HN 0.613 nan 8.360 nan 0.000 0.466 1088 R N 0.785 120.587 120.500 -1.163 0.000 2.105 1088 R HA -0.091 4.339 4.340 0.151 0.000 0.239 1088 R C 2.364 178.633 176.300 -0.051 0.000 1.135 1088 R CA 1.289 57.042 56.100 -0.578 0.000 0.967 1088 R CB -0.422 29.648 30.300 -0.383 0.000 0.861 1088 R HN 0.114 nan 8.270 nan 0.000 0.442 1089 A N 0.894 123.660 122.820 -0.090 0.000 1.902 1089 A HA -0.082 4.328 4.320 0.151 0.000 0.217 1089 A C 2.425 179.933 177.584 -0.127 0.000 1.181 1089 A CA 1.735 53.715 52.037 -0.095 0.000 0.623 1089 A CB -1.073 17.873 19.000 -0.091 0.000 0.818 1089 A HN 0.465 nan 8.150 nan 0.000 0.443 1090 G N -1.540 107.183 108.800 -0.129 0.000 2.408 1090 G HA2 -0.200 3.850 3.960 0.151 0.000 0.217 1090 G HA3 -0.200 3.850 3.960 0.151 0.000 0.217 1090 G C 1.313 176.312 174.900 0.165 0.000 1.150 1090 G CA 0.901 45.992 45.100 -0.015 0.000 0.776 1090 G HN 0.567 nan 8.290 nan 0.000 0.542 1091 W N 1.026 122.342 121.300 0.027 0.000 2.363 1091 W HA 0.049 4.800 4.660 0.151 0.000 0.296 1091 W C 2.480 179.053 176.519 0.090 0.000 1.212 1091 W CA 0.913 58.325 57.345 0.110 0.000 1.260 1091 W CB -0.679 28.855 29.460 0.123 0.000 1.131 1091 W HN 0.259 nan 8.180 nan 0.000 0.530 1092 K N 0.303 120.713 120.400 0.018 0.000 2.057 1092 K HA -0.174 4.237 4.320 0.151 0.000 0.206 1092 K C 2.189 178.723 176.600 -0.110 0.000 1.050 1092 K CA 2.266 58.267 56.287 -0.475 0.000 0.935 1092 K CB -0.394 31.355 32.500 -1.251 0.000 0.715 1092 K HN 0.127 nan 8.250 nan 0.000 0.439 1093 T N -0.852 113.675 114.554 -0.046 0.000 2.821 1093 T HA -0.085 4.356 4.350 0.151 0.000 0.267 1093 T C 1.613 176.388 174.700 0.125 0.000 1.046 1093 T CA 1.447 63.574 62.100 0.044 0.000 1.139 1093 T CB -0.351 68.528 68.868 0.018 0.000 0.871 1093 T HN 0.166 nan 8.240 nan 0.000 0.454 1094 N N 0.569 119.384 118.700 0.192 0.000 2.166 1094 N HA 0.044 4.874 4.740 0.151 0.000 0.186 1094 N C 1.297 176.917 175.510 0.183 0.000 1.019 1094 N CA 1.062 54.245 53.050 0.222 0.000 0.856 1094 N CB -0.683 38.007 38.487 0.338 0.000 0.993 1094 N HN 0.538 nan 8.380 nan 0.000 0.426 1095 F N 1.603 121.627 119.950 0.123 0.000 2.146 1095 F HA -0.044 4.574 4.527 0.151 0.000 0.298 1095 F C 2.492 178.269 175.800 -0.038 0.000 1.096 1095 F CA 1.176 59.184 58.000 0.014 0.000 1.275 1095 F CB -0.074 39.124 39.000 0.331 0.000 1.008 1095 F HN -0.073 nan 8.300 nan 0.000 0.480 1096 R N -0.392 120.302 120.500 0.323 0.000 2.075 1096 R HA -0.159 4.271 4.340 0.151 0.000 0.232 1096 R C 2.223 178.529 176.300 0.010 0.000 1.126 1096 R CA 2.048 58.330 56.100 0.303 0.000 0.963 1096 R CB -1.079 29.495 30.300 0.457 0.000 0.858 1096 R HN 0.426 nan 8.270 nan 0.000 0.435 1097 C N 0.453 119.740 119.300 -0.021 0.000 2.446 1097 C HA 0.081 4.632 4.460 0.151 0.000 0.277 1097 C C 2.959 177.825 174.990 -0.206 0.000 1.275 1097 C CA 0.709 59.686 59.018 -0.068 0.000 1.727 1097 C CB -0.854 26.877 27.740 -0.015 0.000 2.010 1097 C HN 0.724 nan 8.230 nan 0.000 0.486 1098 A N 0.399 122.985 122.820 -0.391 0.000 1.902 1098 A HA -0.120 4.291 4.320 0.151 0.000 0.217 1098 A C 2.174 179.246 177.584 -0.854 0.000 1.181 1098 A CA 1.357 52.999 52.037 -0.658 0.000 0.623 1098 A CB -0.695 17.681 19.000 -1.039 0.000 0.818 1098 A HN 0.510 nan 8.150 nan 0.000 0.443 1099 L N 0.058 120.694 121.223 -0.977 0.000 2.046 1099 L HA -0.149 4.281 4.340 0.151 0.000 0.208 1099 L C 2.387 179.182 176.870 -0.126 0.000 1.077 1099 L CA 2.494 57.001 54.840 -0.555 0.000 0.747 1099 L CB -1.020 40.738 42.059 -0.502 0.000 0.896 1099 L HN 0.575 nan 8.230 nan 0.000 0.432 1100 R N -0.282 120.146 120.500 -0.120 0.000 2.075 1100 R HA -0.138 4.292 4.340 0.151 0.000 0.232 1100 R C 2.548 178.838 176.300 -0.017 0.000 1.126 1100 R CA 1.736 57.828 56.100 -0.014 0.000 0.963 1100 R CB -0.103 30.194 30.300 -0.004 0.000 0.858 1100 R HN 0.631 nan 8.270 nan 0.000 0.435 1101 S N -0.594 115.068 115.700 -0.064 0.000 2.370 1101 S HA -0.155 4.405 4.470 0.151 0.000 0.226 1101 S C 1.988 176.578 174.600 -0.017 0.000 1.033 1101 S CA 1.804 59.980 58.200 -0.040 0.000 1.011 1101 S CB -0.861 62.305 63.200 -0.056 0.000 0.852 1101 S HN 0.337 nan 8.310 nan 0.000 0.457 1102 T N 1.499 116.045 114.554 -0.013 0.000 2.760 1102 T HA -0.121 4.319 4.350 0.151 0.000 0.269 1102 T C 0.849 175.551 174.700 0.002 0.000 1.047 1102 T CA 1.525 63.645 62.100 0.033 0.000 1.139 1102 T CB -0.462 68.497 68.868 0.152 0.000 0.855 1102 T HN 0.428 nan 8.240 nan 0.000 0.471 1103 R N -1.088 119.421 120.500 0.015 0.000 4.016 1103 R HA -0.190 4.240 4.340 0.151 0.000 0.385 1103 R C 1.155 177.417 176.300 -0.065 0.000 1.158 1103 R CA 1.282 57.379 56.100 -0.004 0.000 1.117 1103 R CB -1.516 28.776 30.300 -0.014 0.000 1.635 1103 R HN 0.398 nan 8.270 nan 0.000 0.560 1104 R N -0.085 120.309 120.500 -0.176 0.000 2.317 1104 R HA 0.250 4.680 4.340 0.151 0.000 0.208 1104 R C -0.149 175.739 176.300 -0.686 0.000 0.914 1104 R CA 0.459 56.278 56.100 -0.469 0.000 1.060 1104 R CB 0.445 30.333 30.300 -0.687 0.000 1.015 1104 R HN 0.022 nan 8.270 nan 0.000 0.498 1105 F N -1.817 118.184 119.950 0.085 0.000 2.629 1105 F HA 0.544 5.162 4.527 0.152 0.000 0.316 1105 F C -0.558 175.317 175.800 0.125 0.000 1.081 1105 F CA -1.248 56.826 58.000 0.123 0.000 0.954 1105 F CB 1.816 40.881 39.000 0.108 0.000 1.337 1105 F HN -0.458 nan 8.300 nan 0.000 0.474 1106 V N 1.858 121.995 119.914 0.372 0.000 2.925 1106 V HA 0.395 4.605 4.120 0.151 0.000 0.311 1106 V C -0.725 175.479 176.094 0.184 0.000 1.104 1106 V CA -0.901 61.531 62.300 0.219 0.000 0.954 1106 V CB 2.324 34.210 31.823 0.105 0.000 1.022 1106 V HN 0.792 nan 8.190 nan 0.000 0.427 1107 M N 3.321 122.927 119.600 0.011 0.000 2.108 1107 M HA 0.432 5.003 4.480 0.151 0.000 0.354 1107 M C 0.024 176.185 176.300 -0.231 0.000 1.229 1107 M CA -0.195 54.927 55.300 -0.296 0.000 1.081 1107 M CB 0.977 33.328 32.600 -0.415 0.000 1.606 1107 M HN 0.672 nan 8.290 nan 0.000 0.467 1108 L N 3.306 124.374 121.223 -0.259 0.000 2.130 1108 L HA 0.157 4.587 4.340 0.151 0.000 0.200 1108 L C 0.248 177.005 176.870 -0.188 0.000 1.075 1108 L CA 0.750 55.487 54.840 -0.170 0.000 0.768 1108 L CB 0.039 42.022 42.059 -0.126 0.000 0.933 1108 L HN 0.643 nan 8.230 nan 0.000 0.451 1109 R N -0.498 119.855 120.500 -0.246 0.000 2.604 1109 R HA 0.232 4.663 4.340 0.151 0.000 0.281 1109 R C -1.352 174.765 176.300 -0.306 0.000 1.020 1109 R CA -0.505 55.462 56.100 -0.221 0.000 0.899 1109 R CB 1.792 32.007 30.300 -0.143 0.000 1.205 1109 R HN -0.208 nan 8.270 nan 0.000 0.450 1110 D N 1.395 121.625 120.400 -0.284 0.000 2.499 1110 D HA 0.130 4.860 4.640 0.151 0.000 0.225 1110 D C -0.564 175.571 176.300 -0.275 0.000 1.124 1110 D CA -0.191 53.614 54.000 -0.325 0.000 0.938 1110 D CB 0.272 40.901 40.800 -0.285 0.000 1.014 1110 D HN 0.526 nan 8.370 nan 0.000 0.517 1111 N N 0.755 119.235 118.700 -0.366 0.000 2.389 1111 N HA -0.029 4.801 4.740 0.151 0.000 0.237 1111 N C 0.560 175.867 175.510 -0.338 0.000 1.148 1111 N CA -0.181 52.631 53.050 -0.396 0.000 0.854 1111 N CB 0.372 38.441 38.487 -0.695 0.000 1.115 1111 N HN 0.217 nan 8.380 nan 0.000 0.492 1112 S N -1.491 114.084 115.700 -0.208 0.000 2.840 1112 S HA 0.156 4.716 4.470 0.151 0.000 0.235 1112 S C 1.253 175.856 174.600 0.005 0.000 0.968 1112 S CA -0.364 57.809 58.200 -0.044 0.000 1.026 1112 S CB 0.385 63.587 63.200 0.004 0.000 0.788 1112 S HN 0.361 nan 8.310 nan 0.000 0.487 1113 G N 2.187 110.963 108.800 -0.039 0.000 2.598 1113 G HA2 0.102 4.152 3.960 0.151 0.000 0.225 1113 G HA3 0.102 4.152 3.960 0.151 0.000 0.225 1113 G C -0.118 174.786 174.900 0.006 0.000 1.631 1113 G CA -0.189 44.908 45.100 -0.005 0.000 0.821 1113 G HN 0.639 nan 8.290 nan 0.000 0.610 1114 D N 3.152 123.549 120.400 -0.005 0.000 3.465 1114 D HA -0.070 4.660 4.640 0.151 0.000 0.252 1114 D C -1.122 175.202 176.300 0.040 0.000 1.399 1114 D CA -0.186 53.824 54.000 0.016 0.000 0.946 1114 D CB 0.553 41.368 40.800 0.025 0.000 1.183 1114 D HN 0.199 nan 8.370 nan 0.000 0.622 1115 P HA -0.359 nan 4.420 nan 0.000 0.222 1115 P C 1.372 178.709 177.300 0.062 0.000 1.155 1115 P CA 2.374 65.502 63.100 0.046 0.000 0.890 1115 P CB 0.150 31.865 31.700 0.026 0.000 0.790 1116 A N -0.053 122.802 122.820 0.059 0.000 1.841 1116 A HA -0.169 4.241 4.320 0.151 0.000 0.216 1116 A C 1.609 179.251 177.584 0.097 0.000 1.199 1116 A CA 1.924 54.001 52.037 0.067 0.000 0.621 1116 A CB -1.048 17.988 19.000 0.058 0.000 0.835 1116 A HN 0.194 nan 8.150 nan 0.000 0.445 1117 D N 0.148 120.626 120.400 0.130 0.000 2.432 1117 D HA 0.278 5.008 4.640 0.151 0.000 0.265 1117 D C -1.002 175.469 176.300 0.285 0.000 1.160 1117 D CA -0.230 53.896 54.000 0.210 0.000 0.911 1117 D CB 0.265 41.198 40.800 0.222 0.000 1.052 1117 D HN 0.404 nan 8.370 nan 0.000 0.508 1118 Q N 3.354 123.291 119.800 0.229 0.000 2.307 1118 Q HA 0.235 4.665 4.340 0.151 0.000 0.259 1118 Q C -0.083 176.099 176.000 0.303 0.000 0.998 1118 Q CA -0.115 55.802 55.803 0.191 0.000 0.923 1118 Q CB 1.004 29.862 28.738 0.200 0.000 1.196 1118 Q HN 0.585 nan 8.270 nan 0.000 0.416 1119 H N 0.458 119.637 119.070 0.181 0.000 2.950 1119 H HA 0.449 5.095 4.556 0.151 0.000 0.307 1119 H C -1.464 173.908 175.328 0.072 0.000 1.403 1119 H CA -1.097 55.081 56.048 0.216 0.000 1.145 1119 H CB 1.125 30.985 29.762 0.164 0.000 1.844 1119 H HN 0.346 nan 8.280 nan 0.000 0.515 1120 K N 1.239 121.708 120.400 0.115 0.000 2.259 1120 K HA 0.562 4.973 4.320 0.151 0.000 0.249 1120 K C -0.845 175.702 176.600 -0.087 0.000 0.942 1120 K CA -1.148 55.012 56.287 -0.212 0.000 0.816 1120 K CB 3.289 35.477 32.500 -0.520 0.000 1.155 1120 K HN 0.298 nan 8.250 nan 0.000 0.428 1121 V N 2.820 122.544 119.914 -0.316 0.000 2.459 1121 V HA 0.409 4.620 4.120 0.151 0.000 0.295 1121 V C -1.157 174.606 176.094 -0.551 0.000 1.029 1121 V CA -0.806 61.339 62.300 -0.258 0.000 0.874 1121 V CB 0.612 32.369 31.823 -0.111 0.000 0.985 1121 V HN 0.607 nan 8.190 nan 0.000 0.438 1122 Y N 1.852 121.816 120.300 -0.560 0.000 2.536 1122 Y HA 0.826 5.466 4.550 0.150 0.000 0.347 1122 Y C 0.283 175.912 175.900 -0.450 0.000 1.000 1122 Y CA -0.776 56.967 58.100 -0.596 0.000 1.051 1122 Y CB 2.256 40.173 38.460 -0.905 0.000 1.259 1122 Y HN 0.727 nan 8.280 nan 0.000 0.468 1123 A N 2.352 125.201 122.820 0.049 0.000 2.386 1123 A HA 0.746 5.156 4.320 0.151 0.000 0.311 1123 A C -1.239 176.513 177.584 0.280 0.000 1.068 1123 A CA -0.833 51.292 52.037 0.147 0.000 0.743 1123 A CB 0.861 19.911 19.000 0.084 0.000 1.258 1123 A HN 0.763 nan 8.150 nan 0.000 0.429 1124 L N 1.577 122.992 121.223 0.320 0.000 2.426 1124 L HA 0.170 4.601 4.340 0.151 0.000 0.271 1124 L C 0.719 177.647 176.870 0.097 0.000 1.169 1124 L CA -0.335 54.650 54.840 0.240 0.000 0.836 1124 L CB 0.767 42.956 42.059 0.216 0.000 1.112 1124 L HN 0.751 nan 8.230 nan 0.000 0.465 1125 S N 1.957 117.663 115.700 0.010 0.000 2.673 1125 S HA 0.166 4.727 4.470 0.151 0.000 0.308 1125 S C 0.805 175.405 174.600 -0.000 0.000 1.246 1125 S CA 0.371 58.568 58.200 -0.006 0.000 1.077 1125 S CB 0.060 63.227 63.200 -0.055 0.000 0.814 1125 S HN 1.019 nan 8.310 nan 0.000 0.503 1126 G N 2.561 111.366 108.800 0.008 0.000 2.402 1126 G HA2 -0.105 3.946 3.960 0.151 0.000 0.241 1126 G HA3 -0.105 3.946 3.960 0.151 0.000 0.241 1126 G C 0.401 175.306 174.900 0.008 0.000 0.871 1126 G CA 0.183 45.285 45.100 0.003 0.000 1.232 1126 G HN 1.529 nan 8.290 nan 0.000 0.369 1127 S N -0.610 115.098 115.700 0.014 0.000 2.079 1127 S HA 0.231 4.792 4.470 0.151 0.000 0.237 1127 S C 0.347 174.956 174.600 0.015 0.000 0.900 1127 S CA 0.778 58.987 58.200 0.015 0.000 1.599 1127 S CB -0.319 62.897 63.200 0.027 0.000 1.167 1127 S HN 2.184 nan 8.310 nan 0.000 0.551 1128 L N 0.106 121.341 121.223 0.018 0.000 2.436 1128 L HA 0.452 4.882 4.340 0.151 0.000 0.298 1128 L C -0.573 176.305 176.870 0.013 0.000 1.267 1128 L CA -0.056 54.792 54.840 0.014 0.000 0.646 1128 L CB -1.067 41.003 42.059 0.019 0.000 0.954 1128 L HN 0.238 nan 8.230 nan 0.000 0.516 1129 S N 0.083 115.789 115.700 0.010 0.000 2.519 1129 S HA 0.533 5.094 4.470 0.151 0.000 0.320 1129 S C 0.689 175.285 174.600 -0.007 0.000 1.179 1129 S CA 0.336 58.539 58.200 0.006 0.000 1.173 1129 S CB 0.023 63.226 63.200 0.005 0.000 1.224 1129 S HN 0.910 nan 8.310 nan 0.000 0.542 1130 S N 0.607 116.299 115.700 -0.013 0.000 2.235 1130 S HA 0.209 4.770 4.470 0.151 0.000 0.152 1130 S C -1.015 173.562 174.600 -0.037 0.000 1.649 1130 S CA -1.012 57.173 58.200 -0.024 0.000 1.277 1130 S CB -0.184 63.004 63.200 -0.020 0.000 1.299 1130 S HN 0.530 nan 8.310 nan 0.000 0.388 1131 D N 3.027 123.402 120.400 -0.042 0.000 2.518 1131 D HA 0.466 5.196 4.640 0.151 0.000 0.270 1131 D C 0.798 177.055 176.300 -0.071 0.000 1.338 1131 D CA 1.436 55.400 54.000 -0.061 0.000 0.983 1131 D CB -0.241 40.524 40.800 -0.058 0.000 1.126 1131 D HN 0.885 nan 8.370 nan 0.000 0.543 2010 P HA -0.178 nan 4.420 nan 0.000 0.217 2010 P C 1.109 178.498 177.300 0.148 0.000 1.150 2010 P CA 1.410 64.583 63.100 0.122 0.000 0.832 2010 P CB 0.003 31.781 31.700 0.130 0.000 0.787 2011 W N 0.016 121.368 121.300 0.087 0.000 2.358 2011 W HA -0.129 4.621 4.660 0.150 0.000 0.303 2011 W C 1.962 178.501 176.519 0.033 0.000 1.208 2011 W CA 1.201 58.614 57.345 0.113 0.000 1.274 2011 W CB -0.907 28.743 29.460 0.316 0.000 1.138 2011 W HN -0.181 nan 8.180 nan 0.000 0.515 2012 L N -0.180 121.049 121.223 0.011 0.000 2.093 2012 L HA -0.207 4.224 4.340 0.151 0.000 0.208 2012 L C 2.193 178.841 176.870 -0.371 0.000 1.085 2012 L CA 1.260 55.919 54.840 -0.301 0.000 0.755 2012 L CB -0.684 41.299 42.059 -0.126 0.000 0.904 2012 L HN -0.137 nan 8.230 nan 0.000 0.435 2013 V N -0.399 119.402 119.914 -0.189 0.000 2.343 2013 V HA -0.288 3.922 4.120 0.151 0.000 0.247 2013 V C 2.693 178.690 176.094 -0.162 0.000 1.051 2013 V CA 1.932 64.149 62.300 -0.137 0.000 1.036 2013 V CB -0.670 31.120 31.823 -0.056 0.000 0.654 2013 V HN 0.686 nan 8.190 nan 0.000 0.451 2014 S N -0.529 115.048 115.700 -0.206 0.000 2.368 2014 S HA -0.241 4.320 4.470 0.151 0.000 0.224 2014 S C 1.917 176.334 174.600 -0.305 0.000 1.029 2014 S CA 1.036 59.111 58.200 -0.207 0.000 0.988 2014 S CB -0.433 62.650 63.200 -0.195 0.000 0.838 2014 S HN 0.551 nan 8.310 nan 0.000 0.462 2015 Q N 1.386 120.862 119.800 -0.540 0.000 2.170 2015 Q HA 0.090 4.520 4.340 0.151 0.000 0.203 2015 Q C 2.364 178.112 176.000 -0.420 0.000 0.976 2015 Q CA 1.072 56.511 55.803 -0.607 0.000 0.858 2015 Q CB -0.730 27.403 28.738 -1.008 0.000 0.907 2015 Q HN 0.601 nan 8.270 nan 0.000 0.433 2016 L N 1.015 122.001 121.223 -0.394 0.000 2.046 2016 L HA -0.218 4.212 4.340 0.151 0.000 0.208 2016 L C 1.872 178.743 176.870 0.003 0.000 1.077 2016 L CA 1.279 55.902 54.840 -0.362 0.000 0.747 2016 L CB -0.596 41.283 42.059 -0.300 0.000 0.896 2016 L HN 0.187 nan 8.230 nan 0.000 0.432 2017 D N 0.296 120.758 120.400 0.104 0.000 2.117 2017 D HA -0.139 4.592 4.640 0.151 0.000 0.198 2017 D C 2.382 178.728 176.300 0.076 0.000 0.982 2017 D CA 1.151 55.259 54.000 0.181 0.000 0.828 2017 D CB -0.180 40.662 40.800 0.070 0.000 0.967 2017 D HN 0.349 nan 8.370 nan 0.000 0.464 2018 L N 0.676 121.877 121.223 -0.038 0.000 2.056 2018 L HA -0.001 4.429 4.340 0.151 0.000 0.207 2018 L C 1.896 178.730 176.870 -0.060 0.000 1.078 2018 L CA 0.838 55.641 54.840 -0.061 0.000 0.749 2018 L CB -1.165 40.824 42.059 -0.117 0.000 0.901 2018 L HN 0.071 nan 8.230 nan 0.000 0.433 2019 G N 0.615 109.347 108.800 -0.114 0.000 2.473 2019 G HA2 -0.408 3.642 3.960 0.151 0.000 0.307 2019 G HA3 -0.408 3.642 3.960 0.151 0.000 0.307 2019 G C 0.835 175.688 174.900 -0.078 0.000 0.937 2019 G CA 1.139 46.167 45.100 -0.119 0.000 0.947 2019 G HN 0.463 nan 8.290 nan 0.000 0.513 2020 Q N -0.345 119.406 119.800 -0.081 0.000 1.900 2020 Q HA -0.071 4.359 4.340 0.151 0.000 0.219 2020 Q C 1.744 177.718 176.000 -0.044 0.000 1.012 2020 Q CA 1.534 57.305 55.803 -0.053 0.000 0.876 2020 Q CB -0.272 28.433 28.738 -0.055 0.000 0.952 2020 Q HN 0.669 nan 8.270 nan 0.000 0.419 2021 L N 1.510 122.702 121.223 -0.051 0.000 2.482 2021 L HA 0.050 4.481 4.340 0.151 0.000 0.273 2021 L C 0.569 177.420 176.870 -0.032 0.000 1.228 2021 L CA -0.405 54.413 54.840 -0.036 0.000 0.827 2021 L CB -0.003 42.034 42.059 -0.036 0.000 1.099 2021 L HN 0.393 nan 8.230 nan 0.000 0.494 2022 E N 0.632 120.822 120.200 -0.016 0.000 2.390 2022 E HA 0.361 4.802 4.350 0.151 0.000 0.261 2022 E C 0.708 177.307 176.600 -0.001 0.000 1.076 2022 E CA 0.735 57.130 56.400 -0.007 0.000 0.905 2022 E CB 1.034 30.735 29.700 0.000 0.000 0.984 2022 E HN 0.654 nan 8.360 nan 0.000 0.427 2023 G N 1.740 110.542 108.800 0.004 0.000 2.313 2023 G HA2 -0.211 3.839 3.960 0.151 0.000 0.215 2023 G HA3 -0.211 3.839 3.960 0.151 0.000 0.215 2023 G C 0.042 174.951 174.900 0.015 0.000 1.023 2023 G CA -0.003 45.111 45.100 0.023 0.000 0.626 2023 G HN 1.216 nan 8.290 nan 0.000 0.503 2024 V N -1.475 118.427 119.914 -0.020 0.000 2.850 2024 V HA 1.064 5.274 4.120 0.151 0.000 0.315 2024 V C 0.381 176.429 176.094 -0.076 0.000 1.064 2024 V CA 0.280 62.549 62.300 -0.052 0.000 0.979 2024 V CB 1.219 32.973 31.823 -0.116 0.000 1.039 2024 V HN 2.359 nan 8.190 nan 0.000 0.452 2025 A N 1.602 124.347 122.820 -0.126 0.000 3.828 2025 A HA 0.662 5.072 4.320 0.151 0.000 0.260 2025 A C -2.181 175.281 177.584 -0.203 0.000 0.983 2025 A CA -0.613 51.358 52.037 -0.110 0.000 0.549 2025 A CB -0.112 18.901 19.000 0.022 0.000 1.718 2025 A HN 0.997 nan 8.150 nan 0.000 0.841 2026 W N -1.586 119.756 121.300 0.069 0.000 2.882 2026 W HA 0.619 5.369 4.660 0.150 0.000 0.345 2026 W C 0.474 177.035 176.519 0.070 0.000 1.125 2026 W CA -0.169 57.229 57.345 0.089 0.000 1.167 2026 W CB 2.268 31.767 29.460 0.064 0.000 1.431 2026 W HN 0.434 nan 8.180 nan 0.000 0.543 2027 V N 0.303 120.450 119.914 0.388 0.000 3.368 2027 V HA 0.079 4.290 4.120 0.151 0.000 0.255 2027 V C -0.291 175.929 176.094 0.210 0.000 1.466 2027 V CA 0.022 62.458 62.300 0.226 0.000 1.095 2027 V CB 0.275 32.198 31.823 0.166 0.000 0.899 2027 V HN 0.605 nan 8.190 nan 0.000 0.440 2028 N N 2.463 121.346 118.700 0.305 0.000 2.501 2028 N HA 0.148 4.979 4.740 0.151 0.000 0.245 2028 N C 0.294 175.838 175.510 0.058 0.000 0.974 2028 N CA -0.516 52.651 53.050 0.195 0.000 0.941 2028 N CB 0.740 39.370 38.487 0.238 0.000 1.122 2028 N HN 0.141 nan 8.380 nan 0.000 0.507 2029 K N 2.270 122.650 120.400 -0.035 0.000 3.277 2029 K HA 0.062 4.473 4.320 0.151 0.000 0.280 2029 K C 0.033 176.517 176.600 -0.193 0.000 1.182 2029 K CA -0.201 55.984 56.287 -0.170 0.000 1.219 2029 K CB -0.381 32.061 32.500 -0.097 0.000 1.373 2029 K HN 0.482 nan 8.250 nan 0.000 0.392 2030 S N -0.469 115.100 115.700 -0.217 0.000 2.904 2030 S HA 0.205 4.766 4.470 0.151 0.000 0.260 2030 S C -0.543 173.950 174.600 -0.180 0.000 1.000 2030 S CA -0.745 57.365 58.200 -0.151 0.000 1.274 2030 S CB 0.125 63.303 63.200 -0.036 0.000 1.196 2030 S HN 0.365 nan 8.310 nan 0.000 0.678 2031 R N 0.609 120.864 120.500 -0.408 0.000 2.127 2031 R HA -0.046 4.384 4.340 0.151 0.000 0.352 2031 R C 0.328 176.739 176.300 0.185 0.000 1.151 2031 R CA 1.175 57.059 56.100 -0.361 0.000 0.994 2031 R CB -2.126 27.975 30.300 -0.332 0.000 2.901 2031 R HN 0.719 nan 8.270 nan 0.000 0.493 2032 T N -0.307 114.611 114.554 0.606 0.000 3.583 2032 T HA -0.033 4.408 4.350 0.151 0.000 0.294 2032 T C -0.589 174.359 174.700 0.414 0.000 0.891 2032 T CA 0.303 62.733 62.100 0.550 0.000 0.906 2032 T CB -0.211 68.986 68.868 0.547 0.000 1.118 2032 T HN 0.521 nan 8.240 nan 0.000 0.763 2033 R N 2.078 122.828 120.500 0.416 0.000 2.369 2033 R HA 0.576 5.007 4.340 0.151 0.000 0.310 2033 R C -0.873 175.565 176.300 0.230 0.000 1.141 2033 R CA -0.617 55.580 56.100 0.161 0.000 1.116 2033 R CB -0.376 30.012 30.300 0.148 0.000 1.135 2033 R HN 0.357 nan 8.270 nan 0.000 0.529 2034 F N 0.940 120.931 119.950 0.067 0.000 2.507 2034 F HA 0.594 5.211 4.527 0.151 0.000 0.327 2034 F C -0.523 175.256 175.800 -0.036 0.000 1.068 2034 F CA -1.475 56.407 58.000 -0.197 0.000 0.965 2034 F CB 0.854 39.484 39.000 -0.616 0.000 1.192 2034 F HN 0.085 nan 8.300 nan 0.000 0.476 2035 R N 3.878 124.499 120.500 0.201 0.000 2.295 2035 R HA 0.565 4.995 4.340 0.151 0.000 0.324 2035 R C -1.624 174.833 176.300 0.263 0.000 0.968 2035 R CA -0.409 55.831 56.100 0.233 0.000 0.837 2035 R CB 0.707 31.113 30.300 0.177 0.000 1.133 2035 R HN 0.986 nan 8.270 nan 0.000 0.450 2036 I N 6.956 127.748 120.570 0.370 0.000 2.441 2036 I HA 0.358 4.618 4.170 0.151 0.000 0.295 2036 I C -1.979 174.409 176.117 0.452 0.000 0.994 2036 I CA -2.631 58.888 61.300 0.365 0.000 1.144 2036 I CB 2.192 40.482 38.000 0.482 0.000 1.314 2036 I HN 0.370 nan 8.210 nan 0.000 0.445 2037 P HA -0.037 nan 4.420 nan 0.000 0.272 2037 P C -0.548 177.160 177.300 0.680 0.000 1.254 2037 P CA -0.014 63.344 63.100 0.431 0.000 0.795 2037 P CB 0.432 32.308 31.700 0.293 0.000 1.022 2038 W N -1.584 119.960 121.300 0.408 0.000 0.477 2038 W HA 0.136 4.886 4.660 0.151 0.000 0.313 2038 W C -0.688 176.026 176.519 0.326 0.000 0.808 2038 W CA -0.194 57.401 57.345 0.416 0.000 1.044 2038 W CB -0.502 29.147 29.460 0.314 0.000 1.004 2038 W HN 0.205 nan 8.180 nan 0.000 0.513 2039 K N 1.059 121.737 120.400 0.462 0.000 2.326 2039 K HA 0.114 4.524 4.320 0.151 0.000 0.275 2039 K C -0.144 176.669 176.600 0.356 0.000 1.018 2039 K CA 0.059 56.578 56.287 0.387 0.000 0.962 2039 K CB 0.405 33.098 32.500 0.322 0.000 0.953 2039 K HN 0.299 nan 8.250 nan 0.000 0.475 2040 H N 1.893 121.092 119.070 0.216 0.000 2.955 2040 H HA 0.162 4.808 4.556 0.151 0.000 0.290 2040 H C 1.676 177.092 175.328 0.146 0.000 1.047 2040 H CA 0.863 56.996 56.048 0.141 0.000 1.484 2040 H CB 0.645 30.476 29.762 0.114 0.000 1.501 2040 H HN 0.816 nan 8.280 nan 0.000 0.521 2041 G N 4.881 113.715 108.800 0.057 0.000 2.605 2041 G HA2 -0.221 3.829 3.960 0.151 0.000 0.222 2041 G HA3 -0.221 3.829 3.960 0.151 0.000 0.222 2041 G C 1.423 176.472 174.900 0.247 0.000 1.092 2041 G CA 0.340 45.564 45.100 0.206 0.000 0.730 2041 G HN 0.667 nan 8.290 nan 0.000 0.588 2042 L N 0.220 121.708 121.223 0.442 0.000 2.645 2042 L HA 0.218 4.648 4.340 0.151 0.000 0.234 2042 L C 0.918 177.874 176.870 0.143 0.000 1.165 2042 L CA -0.291 54.702 54.840 0.254 0.000 0.944 2042 L CB 0.015 42.213 42.059 0.230 0.000 1.149 2042 L HN 0.113 nan 8.230 nan 0.000 0.446 2043 R N -0.084 120.511 120.500 0.158 0.000 2.297 2043 R HA 0.143 4.574 4.340 0.151 0.000 0.308 2043 R C 0.719 177.054 176.300 0.059 0.000 1.029 2043 R CA -0.640 55.514 56.100 0.089 0.000 0.929 2043 R CB 1.138 31.502 30.300 0.105 0.000 1.046 2043 R HN 0.073 nan 8.270 nan 0.000 0.461 2044 Q N 1.712 121.533 119.800 0.034 0.000 2.181 2044 Q HA -0.174 4.256 4.340 0.151 0.000 0.205 2044 Q C 0.806 176.816 176.000 0.016 0.000 0.980 2044 Q CA 1.623 57.439 55.803 0.022 0.000 0.862 2044 Q CB 0.016 28.762 28.738 0.014 0.000 0.905 2044 Q HN 0.693 nan 8.270 nan 0.000 0.429 2045 D N -0.538 119.874 120.400 0.021 0.000 2.328 2045 D HA 0.087 4.817 4.640 0.151 0.000 0.226 2045 D C 0.016 176.314 176.300 -0.004 0.000 1.066 2045 D CA 0.030 54.037 54.000 0.013 0.000 0.861 2045 D CB -0.163 40.652 40.800 0.025 0.000 0.912 2045 D HN -0.048 nan 8.370 nan 0.000 0.521 2046 A N 1.054 123.873 122.820 -0.002 0.000 2.515 2046 A HA 0.078 4.488 4.320 0.151 0.000 0.263 2046 A C 0.440 177.935 177.584 -0.148 0.000 1.096 2046 A CA -0.110 51.894 52.037 -0.055 0.000 0.769 2046 A CB 0.066 19.078 19.000 0.020 0.000 1.040 2046 A HN 0.328 nan 8.150 nan 0.000 0.505 2047 Q N 1.791 121.442 119.800 -0.247 0.000 2.205 2047 Q HA 0.235 4.665 4.340 0.151 0.000 0.249 2047 Q C 1.193 176.971 176.000 -0.371 0.000 0.948 2047 Q CA -0.345 55.318 55.803 -0.232 0.000 0.895 2047 Q CB 0.808 29.455 28.738 -0.152 0.000 1.249 2047 Q HN 0.882 nan 8.270 nan 0.000 0.458 2048 Q N 0.529 120.213 119.800 -0.193 0.000 2.049 2048 Q HA -0.121 4.310 4.340 0.151 0.000 0.198 2048 Q C 1.355 177.306 176.000 -0.082 0.000 0.971 2048 Q CA 1.497 57.230 55.803 -0.116 0.000 0.833 2048 Q CB -0.459 28.271 28.738 -0.014 0.000 0.896 2048 Q HN 0.783 nan 8.270 nan 0.000 0.434 2049 E N 1.346 121.509 120.200 -0.061 0.000 2.511 2049 E HA 0.007 4.448 4.350 0.151 0.000 0.196 2049 E C 1.410 177.990 176.600 -0.034 0.000 1.066 2049 E CA 1.095 57.485 56.400 -0.016 0.000 0.871 2049 E CB -1.204 28.491 29.700 -0.007 0.000 0.863 2049 E HN 0.734 nan 8.360 nan 0.000 0.520 2050 D N -0.113 120.188 120.400 -0.165 0.000 2.117 2050 D HA 0.044 4.775 4.640 0.151 0.000 0.198 2050 D C 1.100 177.452 176.300 0.088 0.000 0.982 2050 D CA 0.998 54.900 54.000 -0.164 0.000 0.828 2050 D CB -0.449 40.084 40.800 -0.445 0.000 0.967 2050 D HN 0.466 nan 8.370 nan 0.000 0.464 2051 F N 0.660 120.750 119.950 0.234 0.000 2.898 2051 F HA 0.490 5.107 4.527 0.151 0.000 0.290 2051 F C 2.202 178.182 175.800 0.301 0.000 1.195 2051 F CA -1.081 57.204 58.000 0.476 0.000 1.387 2051 F CB -0.187 39.027 39.000 0.357 0.000 0.976 2051 F HN 0.141 nan 8.300 nan 0.000 0.510 2052 G N 0.639 109.583 108.800 0.240 0.000 2.418 2052 G HA2 -0.222 3.829 3.960 0.151 0.000 0.217 2052 G HA3 -0.222 3.829 3.960 0.151 0.000 0.217 2052 G C 1.746 176.643 174.900 -0.005 0.000 1.158 2052 G CA 0.369 45.521 45.100 0.086 0.000 0.771 2052 G HN 0.349 nan 8.290 nan 0.000 0.545 2053 I N 0.144 120.652 120.570 -0.105 0.000 2.286 2053 I HA -0.044 4.216 4.170 0.151 0.000 0.248 2053 I C 2.309 178.182 176.117 -0.406 0.000 1.115 2053 I CA 1.077 62.206 61.300 -0.286 0.000 1.392 2053 I CB -0.609 37.156 38.000 -0.392 0.000 1.065 2053 I HN 0.141 nan 8.210 nan 0.000 0.418 2054 F N 0.931 120.801 119.950 -0.132 0.000 2.146 2054 F HA -0.195 4.422 4.527 0.151 0.000 0.298 2054 F C 2.767 178.443 175.800 -0.207 0.000 1.096 2054 F CA 1.443 59.347 58.000 -0.161 0.000 1.275 2054 F CB -0.971 38.062 39.000 0.053 0.000 1.008 2054 F HN 0.148 nan 8.300 nan 0.000 0.480 2055 Q N 0.169 119.942 119.800 -0.045 0.000 2.170 2055 Q HA -0.156 4.274 4.340 0.151 0.000 0.203 2055 Q C 2.344 178.118 176.000 -0.376 0.000 0.976 2055 Q CA 1.299 56.803 55.803 -0.498 0.000 0.858 2055 Q CB -0.216 28.317 28.738 -0.340 0.000 0.907 2055 Q HN 0.390 nan 8.270 nan 0.000 0.433 2056 A N 0.670 123.402 122.820 -0.146 0.000 1.902 2056 A HA -0.213 4.197 4.320 0.151 0.000 0.217 2056 A C 1.794 179.315 177.584 -0.105 0.000 1.181 2056 A CA 1.232 53.266 52.037 -0.005 0.000 0.623 2056 A CB -1.302 17.820 19.000 0.204 0.000 0.818 2056 A HN 0.810 nan 8.150 nan 0.000 0.443 2057 W N 0.635 121.669 121.300 -0.443 0.000 2.381 2057 W HA -0.134 4.617 4.660 0.151 0.000 0.301 2057 W C 2.243 178.426 176.519 -0.559 0.000 1.205 2057 W CA 1.674 58.533 57.345 -0.810 0.000 1.285 2057 W CB -0.169 28.886 29.460 -0.675 0.000 1.133 2057 W HN 0.426 nan 8.180 nan 0.000 0.521 2058 A N 0.854 123.381 122.820 -0.487 0.000 1.902 2058 A HA -0.234 4.176 4.320 0.151 0.000 0.217 2058 A C 1.826 179.156 177.584 -0.423 0.000 1.181 2058 A CA 1.881 53.611 52.037 -0.512 0.000 0.623 2058 A CB -0.904 17.619 19.000 -0.794 0.000 0.818 2058 A HN 0.460 nan 8.150 nan 0.000 0.443 2059 E N -0.225 119.758 120.200 -0.362 0.000 2.072 2059 E HA -0.044 4.396 4.350 0.151 0.000 0.191 2059 E C 1.838 178.248 176.600 -0.316 0.000 0.985 2059 E CA 0.827 57.082 56.400 -0.241 0.000 0.801 2059 E CB -0.259 29.351 29.700 -0.151 0.000 0.750 2059 E HN 0.557 nan 8.360 nan 0.000 0.452 2060 A N 1.267 123.832 122.820 -0.425 0.000 2.250 2060 A HA -0.027 4.383 4.320 0.151 0.000 0.208 2060 A C 1.414 178.582 177.584 -0.694 0.000 1.254 2060 A CA 1.143 52.891 52.037 -0.483 0.000 0.858 2060 A CB -0.595 18.106 19.000 -0.499 0.000 0.820 2060 A HN 0.303 nan 8.150 nan 0.000 0.484 2061 T N -6.887 107.275 114.554 -0.653 0.000 3.253 2061 T HA 0.419 4.859 4.350 0.151 0.000 0.299 2061 T C 1.248 175.720 174.700 -0.379 0.000 0.927 2061 T CA 0.840 62.562 62.100 -0.629 0.000 0.926 2061 T CB -0.112 68.209 68.868 -0.912 0.000 1.183 2061 T HN 1.589 nan 8.240 nan 0.000 0.557 2062 G N 1.304 109.921 108.800 -0.305 0.000 2.189 2062 G HA2 -0.274 3.777 3.960 0.151 0.000 0.267 2062 G HA3 -0.274 3.777 3.960 0.151 0.000 0.267 2062 G C 1.285 176.080 174.900 -0.175 0.000 0.975 2062 G CA 0.529 45.501 45.100 -0.214 0.000 0.644 2062 G HN 1.262 nan 8.290 nan 0.000 0.537 2063 A N -1.155 121.548 122.820 -0.194 0.000 1.933 2063 A HA 0.369 4.779 4.320 0.151 0.000 0.218 2063 A C 0.973 178.592 177.584 0.059 0.000 1.175 2063 A CA 1.936 53.923 52.037 -0.083 0.000 0.628 2063 A CB -0.048 18.884 19.000 -0.113 0.000 0.814 2063 A HN 1.410 nan 8.150 nan 0.000 0.444 2064 Y N -1.248 118.957 120.300 -0.158 0.000 2.425 2064 Y HA 0.535 5.176 4.550 0.151 0.000 0.344 2064 Y C -1.174 174.654 175.900 -0.121 0.000 0.969 2064 Y CA -1.609 56.436 58.100 -0.091 0.000 1.052 2064 Y CB 2.027 40.372 38.460 -0.192 0.000 1.215 2064 Y HN -0.104 nan 8.280 nan 0.000 0.451 2065 V N 8.663 128.075 119.914 -0.835 0.000 2.443 2065 V HA 0.293 4.504 4.120 0.151 0.000 0.293 2065 V C -1.761 173.778 176.094 -0.925 0.000 1.021 2065 V CA -1.593 60.319 62.300 -0.647 0.000 0.848 2065 V CB 1.845 33.460 31.823 -0.347 0.000 0.998 2065 V HN 0.760 nan 8.190 nan 0.000 0.424 2066 P HA -0.161 nan 4.420 nan 0.000 0.219 2066 P C 1.182 178.371 177.300 -0.185 0.000 1.144 2066 P CA 1.803 64.709 63.100 -0.322 0.000 0.806 2066 P CB 0.456 32.098 31.700 -0.097 0.000 0.771 2067 G N -0.675 108.005 108.800 -0.201 0.000 2.570 2067 G HA2 -0.034 4.016 3.960 0.151 0.000 0.209 2067 G HA3 -0.034 4.016 3.960 0.151 0.000 0.209 2067 G C 1.192 176.031 174.900 -0.102 0.000 1.168 2067 G CA -0.194 44.839 45.100 -0.112 0.000 0.831 2067 G HN 0.177 nan 8.290 nan 0.000 0.564 2068 R N 1.474 121.890 120.500 -0.140 0.000 3.559 2068 R HA 0.317 4.748 4.340 0.151 0.000 0.273 2068 R C -1.455 174.786 176.300 -0.099 0.000 1.423 2068 R CA -0.116 55.924 56.100 -0.099 0.000 1.581 2068 R CB -0.149 30.095 30.300 -0.094 0.000 1.338 2068 R HN 0.071 nan 8.270 nan 0.000 0.667 2069 D N 1.438 121.805 120.400 -0.054 0.000 2.414 2069 D HA 0.038 4.769 4.640 0.151 0.000 0.187 2069 D C -1.053 175.395 176.300 0.247 0.000 1.255 2069 D CA -0.635 53.401 54.000 0.060 0.000 0.825 2069 D CB 1.292 42.103 40.800 0.019 0.000 1.912 2069 D HN 0.017 nan 8.370 nan 0.000 0.530 2070 K N 2.161 122.671 120.400 0.184 0.000 2.436 2070 K HA 0.244 4.654 4.320 0.151 0.000 0.275 2070 K C -2.059 174.678 176.600 0.227 0.000 0.999 2070 K CA -0.972 55.413 56.287 0.163 0.000 0.980 2070 K CB 0.271 32.806 32.500 0.059 0.000 0.919 2070 K HN 0.240 nan 8.250 nan 0.000 0.484 2071 P HA 0.110 nan 4.420 nan 0.000 0.280 2071 P C -0.774 176.171 177.300 -0.592 0.000 1.244 2071 P CA -0.152 62.825 63.100 -0.206 0.000 0.784 2071 P CB 0.795 32.442 31.700 -0.088 0.000 0.913 2072 D N 4.169 123.843 120.400 -1.209 0.000 2.438 2072 D HA 0.091 4.821 4.640 0.151 0.000 0.257 2072 D C 1.160 176.542 176.300 -1.529 0.000 1.148 2072 D CA -0.451 52.941 54.000 -1.015 0.000 0.902 2072 D CB 0.742 41.170 40.800 -0.620 0.000 1.062 2072 D HN -0.044 nan 8.370 nan 0.000 0.518 2073 L N 4.036 124.662 121.223 -0.994 0.000 2.056 2073 L HA -0.009 4.421 4.340 0.151 0.000 0.207 2073 L C -0.506 175.995 176.870 -0.614 0.000 1.078 2073 L CA 1.313 55.738 54.840 -0.692 0.000 0.749 2073 L CB -2.501 39.422 42.059 -0.226 0.000 0.901 2073 L HN 0.391 nan 8.230 nan 0.000 0.433 2074 P HA -0.101 nan 4.420 nan 0.000 0.217 2074 P C 1.570 178.676 177.300 -0.323 0.000 1.150 2074 P CA 1.321 64.164 63.100 -0.429 0.000 0.832 2074 P CB -0.042 31.473 31.700 -0.308 0.000 0.787 2075 T N -1.146 113.233 114.554 -0.293 0.000 2.777 2075 T HA -0.108 4.332 4.350 0.151 0.000 0.266 2075 T C 1.511 176.239 174.700 0.048 0.000 1.040 2075 T CA 1.086 63.108 62.100 -0.128 0.000 1.141 2075 T CB -0.625 68.167 68.868 -0.127 0.000 0.868 2075 T HN 0.076 nan 8.240 nan 0.000 0.444 2076 W N 1.955 123.178 121.300 -0.128 0.000 2.358 2076 W HA 0.094 4.844 4.660 0.151 0.000 0.303 2076 W C 2.377 178.876 176.519 -0.032 0.000 1.208 2076 W CA 0.276 57.595 57.345 -0.043 0.000 1.274 2076 W CB -0.991 28.424 29.460 -0.076 0.000 1.138 2076 W HN 0.256 nan 8.180 nan 0.000 0.515 2077 K N 0.636 120.938 120.400 -0.163 0.000 2.057 2077 K HA -0.182 4.228 4.320 0.151 0.000 0.206 2077 K C 2.309 178.843 176.600 -0.110 0.000 1.050 2077 K CA 1.537 57.509 56.287 -0.525 0.000 0.935 2077 K CB -0.189 31.622 32.500 -1.149 0.000 0.715 2077 K HN -0.031 nan 8.250 nan 0.000 0.439 2078 R N 0.474 120.927 120.500 -0.079 0.000 2.075 2078 R HA -0.100 4.330 4.340 0.151 0.000 0.232 2078 R C 1.651 178.016 176.300 0.107 0.000 1.126 2078 R CA 1.717 57.825 56.100 0.012 0.000 0.963 2078 R CB -0.176 30.112 30.300 -0.021 0.000 0.858 2078 R HN 0.203 nan 8.270 nan 0.000 0.435 2079 N N 0.323 119.127 118.700 0.173 0.000 2.188 2079 N HA -0.163 4.667 4.740 0.151 0.000 0.184 2079 N C 1.489 177.148 175.510 0.249 0.000 1.018 2079 N CA 0.999 54.193 53.050 0.240 0.000 0.858 2079 N CB -0.472 38.211 38.487 0.327 0.000 0.989 2079 N HN 0.191 nan 8.380 nan 0.000 0.426 2080 F N 2.609 122.612 119.950 0.088 0.000 2.134 2080 F HA -0.048 4.570 4.527 0.151 0.000 0.299 2080 F C 2.438 178.216 175.800 -0.037 0.000 1.097 2080 F CA 1.161 59.105 58.000 -0.093 0.000 1.264 2080 F CB -0.413 38.678 39.000 0.151 0.000 1.001 2080 F HN -0.067 nan 8.300 nan 0.000 0.479 2081 R N -0.297 120.243 120.500 0.067 0.000 2.075 2081 R HA -0.101 4.330 4.340 0.151 0.000 0.232 2081 R C 2.295 178.599 176.300 0.008 0.000 1.126 2081 R CA 1.654 57.773 56.100 0.032 0.000 0.963 2081 R CB -0.517 29.932 30.300 0.248 0.000 0.858 2081 R HN 0.223 nan 8.270 nan 0.000 0.435 2082 S N 0.481 116.209 115.700 0.047 0.000 2.399 2082 S HA -0.113 4.447 4.470 0.151 0.000 0.231 2082 S C 1.915 176.527 174.600 0.020 0.000 1.022 2082 S CA 1.091 59.319 58.200 0.046 0.000 0.983 2082 S CB -0.142 63.100 63.200 0.071 0.000 0.803 2082 S HN 0.574 nan 8.310 nan 0.000 0.480 2083 A N 1.432 124.242 122.820 -0.016 0.000 1.902 2083 A HA -0.002 4.408 4.320 0.151 0.000 0.217 2083 A C 2.081 179.623 177.584 -0.070 0.000 1.181 2083 A CA 1.102 53.110 52.037 -0.049 0.000 0.623 2083 A CB -0.647 18.240 19.000 -0.189 0.000 0.818 2083 A HN 0.458 nan 8.150 nan 0.000 0.443 2084 L N -0.237 120.908 121.223 -0.131 0.000 2.093 2084 L HA -0.180 4.251 4.340 0.151 0.000 0.208 2084 L C 2.528 179.397 176.870 -0.001 0.000 1.085 2084 L CA 1.406 56.181 54.840 -0.109 0.000 0.755 2084 L CB -0.780 41.121 42.059 -0.263 0.000 0.904 2084 L HN 0.677 nan 8.230 nan 0.000 0.435 2085 N N 1.697 120.406 118.700 0.015 0.000 2.003 2085 N HA -0.215 4.615 4.740 0.151 0.000 0.195 2085 N C 0.728 176.264 175.510 0.043 0.000 1.083 2085 N CA 1.327 54.405 53.050 0.047 0.000 0.875 2085 N CB -0.003 38.508 38.487 0.040 0.000 1.067 2085 N HN 0.253 nan 8.380 nan 0.000 0.428 2086 R N 1.079 121.600 120.500 0.035 0.000 4.138 2086 R HA 0.140 4.570 4.340 0.151 0.000 0.206 2086 R C 0.005 176.327 176.300 0.037 0.000 1.667 2086 R CA 0.054 56.173 56.100 0.032 0.000 1.481 2086 R CB 0.023 30.340 30.300 0.028 0.000 1.388 2086 R HN 0.305 nan 8.270 nan 0.000 0.776 2087 K N 1.153 121.579 120.400 0.043 0.000 2.564 2087 K HA 0.042 4.452 4.320 0.151 0.000 0.205 2087 K C -0.491 176.143 176.600 0.056 0.000 1.053 2087 K CA -0.281 56.036 56.287 0.050 0.000 1.072 2087 K CB 0.559 33.090 32.500 0.050 0.000 0.822 2087 K HN 0.214 nan 8.250 nan 0.000 0.497 2088 E N 0.560 120.788 120.200 0.045 0.000 0.724 2088 E HA -0.227 4.214 4.350 0.151 0.000 0.339 2088 E C 0.377 177.010 176.600 0.055 0.000 0.770 2088 E CA 1.815 58.239 56.400 0.040 0.000 1.262 2088 E CB -0.721 28.998 29.700 0.032 0.000 0.520 2088 E HN 0.760 nan 8.360 nan 0.000 0.346 2089 G N 1.369 110.204 108.800 0.058 0.000 2.215 2089 G HA2 0.066 4.116 3.960 0.151 0.000 0.187 2089 G HA3 0.066 4.116 3.960 0.151 0.000 0.187 2089 G C -0.499 174.482 174.900 0.134 0.000 1.039 2089 G CA -0.260 44.891 45.100 0.086 0.000 0.771 2089 G HN 0.516 nan 8.290 nan 0.000 0.507 2090 L N -0.188 121.099 121.223 0.107 0.000 2.983 2090 L HA 0.803 5.234 4.340 0.151 0.000 0.249 2090 L C -0.769 176.178 176.870 0.129 0.000 0.963 2090 L CA -0.164 54.770 54.840 0.156 0.000 1.011 2090 L CB 1.072 43.250 42.059 0.199 0.000 1.607 2090 L HN 0.852 nan 8.230 nan 0.000 0.447 2091 R N 3.013 123.593 120.500 0.134 0.000 2.826 2091 R HA 0.674 5.104 4.340 0.151 0.000 0.269 2091 R C -1.554 174.683 176.300 -0.105 0.000 1.031 2091 R CA -1.117 55.018 56.100 0.058 0.000 0.900 2091 R CB 0.808 31.089 30.300 -0.032 0.000 1.318 2091 R HN 0.535 nan 8.270 nan 0.000 0.447 2092 L N 0.001 120.990 121.223 -0.390 0.000 2.475 2092 L HA 0.505 4.936 4.340 0.151 0.000 0.253 2092 L C 0.642 177.254 176.870 -0.431 0.000 1.198 2092 L CA 0.404 54.803 54.840 -0.734 0.000 0.814 2092 L CB 1.312 42.940 42.059 -0.717 0.000 1.134 2092 L HN 0.981 nan 8.230 nan 0.000 0.478 2093 A N 0.359 122.916 122.820 -0.438 0.000 1.936 2093 A HA 0.347 4.757 4.320 0.151 0.000 0.197 2093 A C 0.239 177.676 177.584 -0.244 0.000 2.189 2093 A CA -0.037 51.837 52.037 -0.271 0.000 1.491 2093 A CB -0.049 18.815 19.000 -0.226 0.000 1.021 2093 A HN 0.575 nan 8.150 nan 0.000 0.537 2094 E N -0.562 119.499 120.200 -0.232 0.000 3.262 2094 E HA 0.523 4.963 4.350 0.151 0.000 0.257 2094 E C -1.359 175.080 176.600 -0.268 0.000 1.195 2094 E CA 0.019 56.297 56.400 -0.204 0.000 1.160 2094 E CB 0.670 30.281 29.700 -0.148 0.000 1.416 2094 E HN 0.313 nan 8.360 nan 0.000 0.630 2095 D N -0.406 119.843 120.400 -0.252 0.000 3.595 2095 D HA 0.099 4.829 4.640 0.151 0.000 0.253 2095 D C -0.805 175.350 176.300 -0.242 0.000 1.395 2095 D CA -0.176 53.654 54.000 -0.283 0.000 0.820 2095 D CB 0.065 40.708 40.800 -0.263 0.000 1.431 2095 D HN 0.146 nan 8.370 nan 0.000 0.690 2096 R N 0.494 120.794 120.500 -0.334 0.000 2.849 2096 R HA 0.081 4.511 4.340 0.151 0.000 0.238 2096 R C 1.499 177.732 176.300 -0.112 0.000 1.403 2096 R CA 0.016 55.963 56.100 -0.254 0.000 1.303 2096 R CB -0.405 29.637 30.300 -0.430 0.000 1.191 2096 R HN 0.231 nan 8.270 nan 0.000 0.533 2097 S N 0.913 116.560 115.700 -0.089 0.000 2.368 2097 S HA -0.097 4.463 4.470 0.151 0.000 0.225 2097 S C 1.596 176.267 174.600 0.118 0.000 1.030 2097 S CA 1.052 59.291 58.200 0.066 0.000 0.999 2097 S CB 0.230 63.408 63.200 -0.037 0.000 0.844 2097 S HN 0.182 nan 8.310 nan 0.000 0.459 2098 K N 1.604 122.033 120.400 0.047 0.000 2.217 2098 K HA 0.028 4.438 4.320 0.151 0.000 0.202 2098 K C 0.565 177.196 176.600 0.052 0.000 1.051 2098 K CA 0.221 56.539 56.287 0.052 0.000 0.952 2098 K CB -0.972 31.537 32.500 0.014 0.000 0.736 2098 K HN 0.475 nan 8.250 nan 0.000 0.453 2099 D N 2.616 123.047 120.400 0.052 0.000 2.660 2099 D HA -0.068 4.662 4.640 0.151 0.000 0.253 2099 D C -1.764 174.584 176.300 0.080 0.000 1.256 2099 D CA -0.901 53.143 54.000 0.073 0.000 0.914 2099 D CB 1.016 41.880 40.800 0.107 0.000 1.137 2099 D HN -0.061 nan 8.370 nan 0.000 0.542 2100 P HA -0.149 nan 4.420 nan 0.000 0.218 2100 P C 0.957 178.203 177.300 -0.090 0.000 1.148 2100 P CA 1.047 64.106 63.100 -0.070 0.000 0.822 2100 P CB 0.215 31.811 31.700 -0.173 0.000 0.784 2101 H N -1.591 117.527 119.070 0.080 0.000 2.300 2101 H HA 0.079 4.726 4.556 0.151 0.000 0.312 2101 H C 0.393 175.784 175.328 0.105 0.000 1.057 2101 H CA 1.249 57.345 56.048 0.080 0.000 1.380 2101 H CB -0.400 29.402 29.762 0.067 0.000 1.424 2101 H HN 0.090 nan 8.280 nan 0.000 0.534 2102 D N 1.339 121.907 120.400 0.280 0.000 2.434 2102 D HA 0.230 4.961 4.640 0.151 0.000 0.275 2102 D C -2.771 173.762 176.300 0.388 0.000 1.172 2102 D CA -2.168 51.987 54.000 0.259 0.000 0.916 2102 D CB 1.073 41.987 40.800 0.189 0.000 1.041 2102 D HN -0.023 nan 8.370 nan 0.000 0.501 2103 P HA 0.166 nan 4.420 nan 0.000 0.267 2103 P C -0.881 176.724 177.300 0.509 0.000 1.205 2103 P CA 0.397 63.714 63.100 0.361 0.000 0.765 2103 P CB 0.406 32.302 31.700 0.326 0.000 0.828 2104 H N 0.021 119.246 119.070 0.259 0.000 2.929 2104 H HA 0.307 4.953 4.556 0.151 0.000 0.268 2104 H C -1.646 173.776 175.328 0.157 0.000 1.333 2104 H CA -0.818 55.397 56.048 0.278 0.000 1.422 2104 H CB 0.255 30.142 29.762 0.209 0.000 1.897 2104 H HN 0.249 nan 8.280 nan 0.000 0.491 2105 K N 1.008 121.477 120.400 0.115 0.000 2.400 2105 K HA 0.804 5.215 4.320 0.151 0.000 0.249 2105 K C -0.357 176.250 176.600 0.013 0.000 1.069 2105 K CA -1.051 55.160 56.287 -0.126 0.000 0.965 2105 K CB 1.602 33.926 32.500 -0.293 0.000 1.365 2105 K HN 0.452 nan 8.250 nan 0.000 0.539 2106 I N 1.182 121.679 120.570 -0.121 0.000 2.685 2106 I HA 0.242 4.503 4.170 0.151 0.000 0.289 2106 I C -1.553 174.373 176.117 -0.318 0.000 1.292 2106 I CA -0.670 60.562 61.300 -0.113 0.000 1.050 2106 I CB 1.332 39.269 38.000 -0.106 0.000 1.301 2106 I HN 0.483 nan 8.210 nan 0.000 0.425 2107 Y N 3.590 123.550 120.300 -0.566 0.000 2.675 2107 Y HA 0.700 5.340 4.550 0.151 0.000 0.328 2107 Y C 0.059 175.526 175.900 -0.723 0.000 1.092 2107 Y CA -0.631 57.117 58.100 -0.587 0.000 1.190 2107 Y CB 1.690 39.885 38.460 -0.441 0.000 1.350 2107 Y HN 0.414 nan 8.280 nan 0.000 0.525 2108 E N -0.031 120.072 120.200 -0.162 0.000 2.416 2108 E HA 0.273 4.713 4.350 0.151 0.000 0.280 2108 E C -1.774 174.955 176.600 0.215 0.000 1.055 2108 E CA -0.806 55.599 56.400 0.008 0.000 0.825 2108 E CB 2.378 32.074 29.700 -0.007 0.000 1.312 2108 E HN 0.327 nan 8.360 nan 0.000 0.452 2109 F N -0.121 119.888 119.950 0.098 0.000 2.461 2109 F HA 0.866 5.484 4.527 0.151 0.000 0.337 2109 F C -0.318 175.521 175.800 0.065 0.000 1.079 2109 F CA -0.881 57.183 58.000 0.107 0.000 1.032 2109 F CB 0.570 39.654 39.000 0.141 0.000 1.327 2109 F HN 0.319 nan 8.300 nan 0.000 0.491 2110 V N 0.401 119.960 119.914 -0.592 0.000 5.208 2110 V HA 0.342 4.553 4.120 0.151 0.000 0.255 2110 V C -0.141 175.807 176.094 -0.244 0.000 0.982 2110 V CA -0.624 61.284 62.300 -0.653 0.000 1.480 2110 V CB -0.691 30.919 31.823 -0.355 0.000 0.402 2110 V HN 1.412 nan 8.190 nan 0.000 0.450 2111 N N 0.000 118.626 118.700 -0.124 0.000 1.763 2111 N HA 0.000 4.830 4.740 0.151 0.000 0.220 2111 N CA 0.000 53.079 53.050 0.048 0.000 0.885 2111 N CB 0.000 38.567 38.487 0.133 0.000 1.341 2111 N HN 0.000 nan 8.380 nan 0.000 0.667