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 1ivw_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.583 177.584 -0.001 0.000 1.274 9 A CA 0.000 52.037 52.037 0.001 0.000 0.836 9 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 10 S N 2.400 118.110 115.700 0.016 0.000 2.533 10 S HA 0.382 4.830 4.470 -0.038 0.000 0.282 10 S C -1.155 173.430 174.600 -0.024 0.000 1.304 10 S CA -0.475 57.750 58.200 0.041 0.000 1.063 10 S CB 0.845 64.111 63.200 0.110 0.000 0.881 10 S HN 0.312 nan 8.310 nan 0.000 0.493 11 P HA 0.073 nan 4.420 nan 0.000 0.242 11 P C 0.121 177.034 177.300 -0.644 0.000 1.197 11 P CA 0.551 63.438 63.100 -0.357 0.000 0.765 11 P CB -0.108 31.332 31.700 -0.433 0.000 0.936 12 F N 0.373 120.256 119.950 -0.112 0.000 2.661 12 F HA 0.215 4.720 4.527 -0.038 0.000 0.306 12 F C 1.540 177.276 175.800 -0.106 0.000 1.094 12 F CA -0.745 57.144 58.000 -0.185 0.000 1.254 12 F CB -0.042 38.847 39.000 -0.184 0.000 1.040 12 F HN -0.171 nan 8.300 nan 0.000 0.562 13 R N 0.953 121.474 120.500 0.035 0.000 2.734 13 R HA 0.218 4.535 4.340 -0.038 0.000 0.266 13 R C -0.208 176.109 176.300 0.028 0.000 1.044 13 R CA -0.363 55.768 56.100 0.052 0.000 1.128 13 R CB 0.424 30.747 30.300 0.037 0.000 1.010 13 R HN 0.152 nan 8.270 nan 0.000 0.461 14 L N 1.724 122.981 121.223 0.057 0.000 2.456 14 L HA 0.165 4.482 4.340 -0.038 0.000 0.272 14 L C 0.765 177.671 176.870 0.060 0.000 1.189 14 L CA -0.313 54.564 54.840 0.061 0.000 0.846 14 L CB 0.752 42.851 42.059 0.067 0.000 1.111 14 L HN 0.853 nan 8.230 nan 0.000 0.475 15 A N 2.680 125.547 122.820 0.080 0.000 2.540 15 A HA 0.284 4.581 4.320 -0.038 0.000 0.239 15 A C 0.475 178.134 177.584 0.126 0.000 1.061 15 A CA -0.086 52.051 52.037 0.167 0.000 0.758 15 A CB 0.086 19.255 19.000 0.281 0.000 0.991 15 A HN 0.776 nan 8.150 nan 0.000 0.502 16 S N 1.777 117.546 115.700 0.114 0.000 2.652 16 S HA 0.572 5.019 4.470 -0.038 0.000 0.270 16 S C 1.266 175.888 174.600 0.036 0.000 1.243 16 S CA -0.167 58.069 58.200 0.058 0.000 0.999 16 S CB 1.375 64.600 63.200 0.041 0.000 0.973 16 S HN 1.622 nan 8.310 nan 0.000 0.544 17 A N 2.007 124.835 122.820 0.015 0.000 1.883 17 A HA 0.095 4.393 4.320 -0.038 0.000 0.217 17 A C 2.225 179.795 177.584 -0.024 0.000 1.186 17 A CA 1.908 53.943 52.037 -0.003 0.000 0.624 17 A CB -1.935 17.063 19.000 -0.003 0.000 0.822 17 A HN 1.248 nan 8.150 nan 0.000 0.444 18 G N -0.603 108.185 108.800 -0.020 0.000 2.469 18 G HA2 -0.253 3.685 3.960 -0.038 0.000 0.220 18 G HA3 -0.253 3.685 3.960 -0.038 0.000 0.220 18 G C 1.412 176.271 174.900 -0.070 0.000 1.136 18 G CA 1.067 46.146 45.100 -0.035 0.000 0.759 18 G HN 0.684 nan 8.290 nan 0.000 0.562 19 E N -0.219 119.939 120.200 -0.070 0.000 2.150 19 E HA -0.056 4.272 4.350 -0.038 0.000 0.193 19 E C 2.475 178.857 176.600 -0.363 0.000 0.985 19 E CA 0.308 56.609 56.400 -0.166 0.000 0.814 19 E CB -0.013 29.669 29.700 -0.030 0.000 0.752 19 E HN 0.351 nan 8.360 nan 0.000 0.466 20 I N 0.768 121.195 120.570 -0.239 0.000 2.233 20 I HA -0.183 3.964 4.170 -0.038 0.000 0.243 20 I C 2.300 178.299 176.117 -0.196 0.000 1.093 20 I CA 1.065 62.214 61.300 -0.252 0.000 1.380 20 I CB -1.185 36.753 38.000 -0.104 0.000 1.067 20 I HN -0.027 nan 8.210 nan 0.000 0.413 21 S N 0.507 116.132 115.700 -0.124 0.000 2.383 21 S HA -0.231 4.216 4.470 -0.038 0.000 0.229 21 S C 1.919 176.454 174.600 -0.108 0.000 1.030 21 S CA 1.510 59.657 58.200 -0.087 0.000 1.002 21 S CB -0.189 62.976 63.200 -0.058 0.000 0.829 21 S HN 0.383 nan 8.310 nan 0.000 0.467 22 E N 0.993 121.107 120.200 -0.144 0.000 2.077 22 E HA -0.078 4.249 4.350 -0.038 0.000 0.193 22 E C 1.934 178.432 176.600 -0.171 0.000 0.989 22 E CA 0.889 57.204 56.400 -0.142 0.000 0.800 22 E CB -0.311 29.302 29.700 -0.146 0.000 0.746 22 E HN 0.259 nan 8.360 nan 0.000 0.452 23 V N 0.772 120.524 119.914 -0.271 0.000 2.343 23 V HA -0.273 3.825 4.120 -0.038 0.000 0.247 23 V C 2.541 178.553 176.094 -0.138 0.000 1.051 23 V CA 2.179 64.328 62.300 -0.253 0.000 1.036 23 V CB -0.591 30.999 31.823 -0.389 0.000 0.654 23 V HN 0.399 nan 8.190 nan 0.000 0.451 24 Q N 0.177 119.905 119.800 -0.120 0.000 2.030 24 Q HA -0.199 4.118 4.340 -0.038 0.000 0.204 24 Q C 2.278 178.252 176.000 -0.042 0.000 0.986 24 Q CA 2.305 58.072 55.803 -0.059 0.000 0.843 24 Q CB -0.597 28.116 28.738 -0.041 0.000 0.904 24 Q HN 0.628 nan 8.270 nan 0.000 0.420 25 G N 1.222 109.991 108.800 -0.051 0.000 2.476 25 G HA2 -0.271 3.667 3.960 -0.038 0.000 0.218 25 G HA3 -0.271 3.667 3.960 -0.038 0.000 0.218 25 G C 1.441 176.321 174.900 -0.034 0.000 1.164 25 G CA 1.165 46.242 45.100 -0.038 0.000 0.768 25 G HN 0.409 nan 8.290 nan 0.000 0.560 26 I N 0.303 120.845 120.570 -0.045 0.000 2.179 26 I HA -0.151 3.997 4.170 -0.038 0.000 0.242 26 I C 2.783 178.888 176.117 -0.021 0.000 1.088 26 I CA 0.721 62.001 61.300 -0.034 0.000 1.357 26 I CB -0.276 37.698 38.000 -0.043 0.000 1.051 26 I HN 0.142 nan 8.210 nan 0.000 0.409 27 L N 0.704 121.913 121.223 -0.023 0.000 2.017 27 L HA -0.216 4.101 4.340 -0.038 0.000 0.208 27 L C 2.930 179.800 176.870 -0.001 0.000 1.073 27 L CA 1.686 56.521 54.840 -0.007 0.000 0.745 27 L CB -0.706 41.349 42.059 -0.006 0.000 0.894 27 L HN 0.341 nan 8.230 nan 0.000 0.432 28 R N -0.699 119.800 120.500 -0.001 0.000 2.073 28 R HA -0.135 4.182 4.340 -0.038 0.000 0.234 28 R C 2.046 178.345 176.300 -0.000 0.000 1.134 28 R CA 1.879 57.982 56.100 0.004 0.000 0.952 28 R CB -1.370 28.934 30.300 0.006 0.000 0.850 28 R HN 0.103 nan 8.270 nan 0.000 0.433 29 T N 1.114 115.665 114.554 -0.005 0.000 2.759 29 T HA -0.098 4.229 4.350 -0.038 0.000 0.269 29 T C 1.806 176.504 174.700 -0.004 0.000 1.042 29 T CA 1.689 63.785 62.100 -0.006 0.000 1.140 29 T CB -0.249 68.613 68.868 -0.010 0.000 0.864 29 T HN 0.545 nan 8.240 nan 0.000 0.455 30 A N 0.196 123.015 122.820 -0.002 0.000 2.238 30 A HA 0.500 4.797 4.320 -0.038 0.000 0.208 30 A C 1.768 179.353 177.584 0.002 0.000 1.177 30 A CA 0.735 52.772 52.037 0.001 0.000 0.804 30 A CB -0.812 18.189 19.000 0.003 0.000 0.823 30 A HN 0.732 nan 8.150 nan 0.000 0.482 31 G N -1.086 107.715 108.800 0.002 0.000 2.176 31 G HA2 -0.243 3.694 3.960 -0.038 0.000 0.252 31 G HA3 -0.243 3.694 3.960 -0.038 0.000 0.252 31 G C 0.483 175.386 174.900 0.004 0.000 1.024 31 G CA 0.551 45.653 45.100 0.002 0.000 0.755 31 G HN 0.538 nan 8.290 nan 0.000 0.507 32 L N -1.427 119.800 121.223 0.007 0.000 2.640 32 L HA 0.436 4.753 4.340 -0.038 0.000 0.230 32 L C 1.246 178.124 176.870 0.014 0.000 1.123 32 L CA -0.002 54.844 54.840 0.010 0.000 0.900 32 L CB 0.519 42.588 42.059 0.015 0.000 1.146 32 L HN 0.202 nan 8.230 nan 0.000 0.484 33 L N 0.688 121.921 121.223 0.017 0.000 2.999 33 L HA 0.488 4.805 4.340 -0.038 0.000 0.263 33 L C 0.827 177.722 176.870 0.041 0.000 1.320 33 L CA -0.239 54.620 54.840 0.031 0.000 0.913 33 L CB 0.199 42.280 42.059 0.036 0.000 1.296 33 L HN -0.037 nan 8.230 nan 0.000 0.546 34 G N 0.433 109.249 108.800 0.027 0.000 2.683 34 G HA2 0.239 4.176 3.960 -0.038 0.000 0.260 34 G HA3 0.239 4.176 3.960 -0.038 0.000 0.260 34 G C -1.590 173.341 174.900 0.051 0.000 1.238 34 G CA -0.653 44.463 45.100 0.027 0.000 0.934 34 G HN 0.361 nan 8.290 nan 0.000 0.534 35 P HA -0.061 nan 4.420 nan 0.000 0.217 35 P C 1.293 178.644 177.300 0.085 0.000 1.148 35 P CA 1.014 64.151 63.100 0.062 0.000 0.828 35 P CB 0.296 32.012 31.700 0.026 0.000 0.783 36 E N -1.164 119.059 120.200 0.037 0.000 2.474 36 E HA 0.064 4.392 4.350 -0.038 0.000 0.195 36 E C 0.288 176.865 176.600 -0.037 0.000 1.039 36 E CA 0.428 56.830 56.400 0.003 0.000 0.881 36 E CB -0.023 29.656 29.700 -0.035 0.000 0.970 36 E HN 0.277 nan 8.360 nan 0.000 0.486 37 K N 1.666 122.064 120.400 -0.003 0.000 2.174 37 K HA 0.314 4.612 4.320 -0.038 0.000 0.275 37 K C 0.347 176.923 176.600 -0.039 0.000 1.015 37 K CA -0.375 55.894 56.287 -0.031 0.000 0.933 37 K CB 1.287 33.788 32.500 0.000 0.000 1.025 37 K HN -0.173 nan 8.250 nan 0.000 0.463 38 R N 2.135 122.593 120.500 -0.070 0.000 2.574 38 R HA 0.422 4.739 4.340 -0.038 0.000 0.288 38 R C -0.152 176.122 176.300 -0.044 0.000 1.004 38 R CA -0.716 55.303 56.100 -0.134 0.000 0.895 38 R CB 1.185 31.448 30.300 -0.061 0.000 1.191 38 R HN 0.581 nan 8.270 nan 0.000 0.444 39 I N 2.534 123.044 120.570 -0.101 0.000 2.308 39 I HA 0.088 4.235 4.170 -0.038 0.000 0.293 39 I C 1.318 177.439 176.117 0.007 0.000 1.078 39 I CA 0.102 61.389 61.300 -0.021 0.000 1.292 39 I CB 1.394 39.361 38.000 -0.055 0.000 1.423 39 I HN 0.710 nan 8.210 nan 0.000 0.493 40 A N 6.730 129.619 122.820 0.115 0.000 2.123 40 A HA 0.005 4.303 4.320 -0.038 0.000 0.214 40 A C 0.278 178.005 177.584 0.238 0.000 1.152 40 A CA 0.814 52.942 52.037 0.151 0.000 0.728 40 A CB 0.102 19.215 19.000 0.188 0.000 0.814 40 A HN 0.675 nan 8.150 nan 0.000 0.464 41 Y N -2.120 118.216 120.300 0.060 0.000 2.409 41 Y HA 0.516 5.043 4.550 -0.038 0.000 0.321 41 Y C -1.965 173.841 175.900 -0.157 0.000 1.209 41 Y CA -1.201 56.848 58.100 -0.085 0.000 1.086 41 Y CB 0.841 39.166 38.460 -0.225 0.000 1.320 41 Y HN 0.143 nan 8.280 nan 0.000 0.440 42 L N 5.514 126.039 121.223 -1.164 0.000 2.464 42 L HA 1.012 5.330 4.340 -0.038 0.000 0.266 42 L C -1.177 175.163 176.870 -0.884 0.000 0.965 42 L CA -0.234 54.122 54.840 -0.807 0.000 0.833 42 L CB 2.164 44.045 42.059 -0.296 0.000 1.296 42 L HN 0.961 nan 8.230 nan 0.000 0.405 43 G N 3.100 111.564 108.800 -0.560 0.000 2.755 43 G HA2 0.433 4.371 3.960 -0.038 0.000 0.297 43 G HA3 0.433 4.371 3.960 -0.038 0.000 0.297 43 G C -1.710 173.021 174.900 -0.280 0.000 1.441 43 G CA -0.522 44.408 45.100 -0.283 0.000 0.964 43 G HN 0.544 nan 8.290 nan 0.000 0.540 44 V N 1.870 121.412 119.914 -0.619 0.000 2.872 44 V HA 0.411 4.508 4.120 -0.038 0.000 0.307 44 V C -0.017 175.801 176.094 -0.460 0.000 1.072 44 V CA -0.207 61.441 62.300 -1.087 0.000 1.148 44 V CB 0.912 32.025 31.823 -1.183 0.000 0.954 44 V HN 0.579 nan 8.190 nan 0.000 0.490 45 L N 5.299 126.295 121.223 -0.379 0.000 2.334 45 L HA 0.474 4.792 4.340 -0.038 0.000 0.277 45 L C 0.193 176.938 176.870 -0.208 0.000 1.075 45 L CA 0.026 54.750 54.840 -0.193 0.000 0.804 45 L CB 1.053 43.040 42.059 -0.120 0.000 1.174 45 L HN 0.650 nan 8.230 nan 0.000 0.438 46 D N 3.292 123.614 120.400 -0.130 0.000 2.372 46 D HA 0.218 4.836 4.640 -0.038 0.000 0.243 46 D C -2.027 174.176 176.300 -0.163 0.000 1.121 46 D CA -0.925 52.988 54.000 -0.145 0.000 0.898 46 D CB 0.405 41.219 40.800 0.023 0.000 1.202 46 D HN 0.300 nan 8.370 nan 0.000 0.428 47 P HA 0.132 nan 4.420 nan 0.000 0.266 47 P C -0.698 176.556 177.300 -0.076 0.000 1.195 47 P CA -0.032 62.941 63.100 -0.212 0.000 0.768 47 P CB 0.553 32.056 31.700 -0.329 0.000 0.838 48 A N 3.485 126.271 122.820 -0.056 0.000 2.280 48 A HA 0.316 4.613 4.320 -0.038 0.000 0.268 48 A C 0.275 177.836 177.584 -0.039 0.000 1.111 48 A CA -0.414 51.609 52.037 -0.023 0.000 0.814 48 A CB 0.245 19.234 19.000 -0.018 0.000 1.093 48 A HN 0.387 nan 8.150 nan 0.000 0.498 49 R N 0.265 120.724 120.500 -0.067 0.000 2.402 49 R HA 0.321 4.639 4.340 -0.038 0.000 0.331 49 R C 0.075 176.337 176.300 -0.063 0.000 1.040 49 R CA 0.660 56.682 56.100 -0.131 0.000 0.980 49 R CB -0.583 29.582 30.300 -0.225 0.000 0.967 49 R HN 0.879 nan 8.270 nan 0.000 0.440 50 G N 0.814 109.597 108.800 -0.028 0.000 2.182 50 G HA2 0.333 4.271 3.960 -0.038 0.000 0.293 50 G HA3 0.333 4.271 3.960 -0.038 0.000 0.293 50 G C 0.709 175.621 174.900 0.020 0.000 1.409 50 G CA -0.028 45.068 45.100 -0.007 0.000 1.153 50 G HN 0.481 nan 8.290 nan 0.000 0.586 51 A N 1.015 123.853 122.820 0.029 0.000 1.985 51 A HA 0.183 4.480 4.320 -0.038 0.000 0.223 51 A C 1.739 179.347 177.584 0.040 0.000 1.189 51 A CA 2.196 54.261 52.037 0.047 0.000 0.658 51 A CB -0.002 19.023 19.000 0.041 0.000 0.820 51 A HN 1.776 nan 8.150 nan 0.000 0.464 52 G N -1.050 107.766 108.800 0.026 0.000 4.142 52 G HA2 0.412 4.350 3.960 -0.038 0.000 0.310 52 G HA3 0.412 4.350 3.960 -0.038 0.000 0.310 52 G C -0.353 174.554 174.900 0.011 0.000 1.384 52 G CA 0.529 45.641 45.100 0.021 0.000 0.838 52 G HN 0.299 nan 8.290 nan 0.000 0.512 53 S N 0.235 115.941 115.700 0.010 0.000 2.443 53 S HA 0.180 4.628 4.470 -0.038 0.000 0.284 53 S C 1.104 175.700 174.600 -0.007 0.000 1.206 53 S CA -0.103 58.094 58.200 -0.005 0.000 1.074 53 S CB 1.188 64.377 63.200 -0.018 0.000 0.963 53 S HN 0.546 nan 8.310 nan 0.000 0.501 54 E N 4.101 124.297 120.200 -0.008 0.000 2.162 54 E HA 0.361 4.688 4.350 -0.038 0.000 0.193 54 E C 0.621 177.214 176.600 -0.012 0.000 0.953 54 E CA 0.527 56.923 56.400 -0.007 0.000 0.849 54 E CB 0.194 29.892 29.700 -0.004 0.000 0.810 54 E HN 0.686 nan 8.360 nan 0.000 0.470 55 A N 1.790 124.602 122.820 -0.014 0.000 2.527 55 A HA 0.148 4.445 4.320 -0.038 0.000 0.313 55 A C -0.253 177.316 177.584 -0.025 0.000 1.410 55 A CA -0.225 51.803 52.037 -0.016 0.000 1.060 55 A CB -0.333 18.660 19.000 -0.012 0.000 1.137 55 A HN 0.142 nan 8.150 nan 0.000 0.542 56 E N 2.152 122.335 120.200 -0.029 0.000 2.299 56 E HA 0.097 4.425 4.350 -0.038 0.000 0.272 56 E C -1.125 175.454 176.600 -0.036 0.000 1.043 56 E CA -0.097 56.276 56.400 -0.044 0.000 0.895 56 E CB 0.471 30.143 29.700 -0.047 0.000 1.011 56 E HN 0.542 nan 8.360 nan 0.000 0.432 57 D N 4.281 124.654 120.400 -0.044 0.000 2.438 57 D HA 0.143 4.760 4.640 -0.038 0.000 0.257 57 D C -0.822 175.458 176.300 -0.033 0.000 1.148 57 D CA -0.727 53.258 54.000 -0.026 0.000 0.902 57 D CB 0.358 41.147 40.800 -0.020 0.000 1.062 57 D HN 0.223 nan 8.370 nan 0.000 0.518 58 R N 2.849 123.342 120.500 -0.012 0.000 2.345 58 R HA 0.275 4.592 4.340 -0.038 0.000 0.331 58 R C -0.156 176.195 176.300 0.085 0.000 1.067 58 R CA 0.128 56.229 56.100 0.002 0.000 0.962 58 R CB 0.015 30.349 30.300 0.057 0.000 0.987 58 R HN 0.313 nan 8.270 nan 0.000 0.451 59 R N 3.346 123.854 120.500 0.013 0.000 2.720 59 R HA 0.478 4.796 4.340 -0.038 0.000 0.272 59 R C -0.916 175.414 176.300 0.049 0.000 0.991 59 R CA -0.673 55.482 56.100 0.091 0.000 1.010 59 R CB 1.318 31.631 30.300 0.022 0.000 1.141 59 R HN 0.318 nan 8.270 nan 0.000 0.494 60 F N 0.198 120.125 119.950 -0.039 0.000 2.565 60 F HA 0.461 4.966 4.527 -0.038 0.000 0.313 60 F C 0.186 175.965 175.800 -0.034 0.000 1.091 60 F CA -0.795 57.174 58.000 -0.052 0.000 0.915 60 F CB 1.894 40.851 39.000 -0.071 0.000 1.208 60 F HN 0.166 nan 8.300 nan 0.000 0.453 61 R N 2.083 122.652 120.500 0.115 0.000 2.460 61 R HA 0.869 5.187 4.340 -0.038 0.000 0.303 61 R C -1.909 174.402 176.300 0.019 0.000 0.968 61 R CA -0.535 55.622 56.100 0.096 0.000 0.889 61 R CB 1.602 31.967 30.300 0.108 0.000 1.123 61 R HN 0.561 nan 8.270 nan 0.000 0.455 62 V N 4.561 124.517 119.914 0.071 0.000 2.760 62 V HA 0.477 4.575 4.120 -0.038 0.000 0.309 62 V C -1.172 175.104 176.094 0.303 0.000 1.077 62 V CA -0.846 61.483 62.300 0.048 0.000 0.910 62 V CB 1.985 33.839 31.823 0.051 0.000 1.008 62 V HN 0.567 nan 8.190 nan 0.000 0.424 63 F N 4.181 124.274 119.950 0.238 0.000 2.388 63 F HA 0.616 5.120 4.527 -0.038 0.000 0.358 63 F C 0.140 176.022 175.800 0.137 0.000 1.122 63 F CA -1.666 56.479 58.000 0.241 0.000 1.056 63 F CB 1.322 40.524 39.000 0.336 0.000 1.155 63 F HN 0.229 nan 8.300 nan 0.000 0.461 64 I N 4.193 124.929 120.570 0.278 0.000 2.330 64 I HA 0.184 4.331 4.170 -0.038 0.000 0.289 64 I C -0.148 176.042 176.117 0.121 0.000 1.001 64 I CA -0.710 60.680 61.300 0.151 0.000 1.193 64 I CB 1.118 39.170 38.000 0.088 0.000 1.345 64 I HN 0.499 nan 8.210 nan 0.000 0.461 65 H N 5.123 124.199 119.070 0.009 0.000 2.482 65 H HA 0.341 4.874 4.556 -0.038 0.000 0.344 65 H C -1.272 174.034 175.328 -0.036 0.000 1.151 65 H CA -0.425 55.605 56.048 -0.032 0.000 1.300 65 H CB 1.440 31.176 29.762 -0.044 0.000 1.494 65 H HN 0.587 nan 8.280 nan 0.000 0.542 66 D N 3.197 123.142 120.400 -0.758 0.000 2.462 66 D HA 0.183 4.800 4.640 -0.038 0.000 0.245 66 D C 0.305 176.148 176.300 -0.761 0.000 1.122 66 D CA -0.578 53.086 54.000 -0.560 0.000 0.864 66 D CB 0.996 41.641 40.800 -0.259 0.000 1.098 66 D HN 0.366 nan 8.370 nan 0.000 0.541 67 V N 2.613 122.208 119.914 -0.531 0.000 2.982 67 V HA -0.139 3.959 4.120 -0.038 0.000 0.265 67 V C 1.623 177.641 176.094 -0.126 0.000 1.122 67 V CA 1.506 63.661 62.300 -0.242 0.000 1.143 67 V CB -0.311 31.470 31.823 -0.070 0.000 0.726 67 V HN 0.570 nan 8.190 nan 0.000 0.507 68 S N -0.328 115.289 115.700 -0.139 0.000 2.575 68 S HA 0.343 4.791 4.470 -0.038 0.000 0.215 68 S C 1.690 176.246 174.600 -0.073 0.000 0.966 68 S CA 0.670 58.822 58.200 -0.079 0.000 0.911 68 S CB 0.548 63.709 63.200 -0.065 0.000 0.780 68 S HN 0.852 nan 8.310 nan 0.000 0.514 69 G N 1.395 110.139 108.800 -0.093 0.000 2.176 69 G HA2 -0.227 3.711 3.960 -0.038 0.000 0.253 69 G HA3 -0.227 3.711 3.960 -0.038 0.000 0.253 69 G C 0.235 175.096 174.900 -0.064 0.000 0.979 69 G CA -0.056 45.010 45.100 -0.057 0.000 0.641 69 G HN 0.850 nan 8.290 nan 0.000 0.530 70 A N 0.431 123.200 122.820 -0.084 0.000 2.386 70 A HA 0.650 4.947 4.320 -0.038 0.000 0.248 70 A C 0.976 178.514 177.584 -0.077 0.000 1.082 70 A CA -0.122 51.872 52.037 -0.072 0.000 0.789 70 A CB 0.260 19.218 19.000 -0.070 0.000 1.025 70 A HN 0.512 nan 8.150 nan 0.000 0.490 71 R N 1.789 122.249 120.500 -0.066 0.000 2.537 71 R HA 0.083 4.401 4.340 -0.038 0.000 0.281 71 R C -2.127 174.128 176.300 -0.075 0.000 0.988 71 R CA -0.587 55.469 56.100 -0.073 0.000 1.077 71 R CB -0.174 30.083 30.300 -0.071 0.000 0.932 71 R HN 0.602 nan 8.270 nan 0.000 0.409 72 P HA 0.076 nan 4.420 nan 0.000 0.279 72 P C -0.905 176.349 177.300 -0.076 0.000 1.282 72 P CA -0.278 62.782 63.100 -0.066 0.000 0.788 72 P CB 0.893 32.555 31.700 -0.064 0.000 1.139 73 Q N -1.197 118.587 119.800 -0.026 0.000 2.416 73 Q HA 0.353 4.670 4.340 -0.038 0.000 0.281 73 Q C -0.991 175.074 176.000 0.107 0.000 1.067 73 Q CA -0.680 55.128 55.803 0.008 0.000 0.809 73 Q CB 2.513 31.268 28.738 0.030 0.000 1.418 73 Q HN 0.442 nan 8.270 nan 0.000 0.411 74 E N 1.715 122.001 120.200 0.143 0.000 2.113 74 E HA 0.448 4.775 4.350 -0.038 0.000 0.273 74 E C -1.426 175.316 176.600 0.236 0.000 0.924 74 E CA -0.469 56.128 56.400 0.329 0.000 0.764 74 E CB 1.135 31.059 29.700 0.374 0.000 1.104 74 E HN 0.298 nan 8.360 nan 0.000 0.406 75 V N 3.598 123.655 119.914 0.238 0.000 2.680 75 V HA 0.423 4.520 4.120 -0.038 0.000 0.309 75 V C -0.244 175.936 176.094 0.143 0.000 1.052 75 V CA -0.767 61.624 62.300 0.151 0.000 0.908 75 V CB 2.153 34.043 31.823 0.111 0.000 1.001 75 V HN 0.718 nan 8.190 nan 0.000 0.431 76 T N 3.820 118.440 114.554 0.109 0.000 2.809 76 T HA 0.619 4.947 4.350 -0.038 0.000 0.284 76 T C -0.440 174.307 174.700 0.079 0.000 0.992 76 T CA -0.440 61.720 62.100 0.099 0.000 0.957 76 T CB 1.436 70.355 68.868 0.085 0.000 0.942 76 T HN 0.790 nan 8.240 nan 0.000 0.439 77 V N 0.817 120.784 119.914 0.089 0.000 2.864 77 V HA 0.908 5.005 4.120 -0.038 0.000 0.314 77 V C -0.100 176.046 176.094 0.087 0.000 1.073 77 V CA -0.904 61.435 62.300 0.065 0.000 0.956 77 V CB 2.109 33.949 31.823 0.029 0.000 1.023 77 V HN 0.765 nan 8.190 nan 0.000 0.435 78 S N 2.669 118.402 115.700 0.055 0.000 2.420 78 S HA 0.408 4.855 4.470 -0.038 0.000 0.313 78 S C 0.524 175.149 174.600 0.042 0.000 1.079 78 S CA -0.277 57.960 58.200 0.061 0.000 1.104 78 S CB 1.178 64.398 63.200 0.034 0.000 0.969 78 S HN 0.874 nan 8.310 nan 0.000 0.471 79 V N 5.176 125.131 119.914 0.068 0.000 2.809 79 V HA -0.063 4.035 4.120 -0.038 0.000 0.256 79 V C 2.315 178.416 176.094 0.012 0.000 1.080 79 V CA 2.126 64.429 62.300 0.005 0.000 1.102 79 V CB -0.721 31.092 31.823 -0.017 0.000 0.705 79 V HN 0.935 nan 8.190 nan 0.000 0.475 80 T N 0.543 115.115 114.554 0.031 0.000 2.770 80 T HA -0.104 4.223 4.350 -0.038 0.000 0.263 80 T C 1.710 176.413 174.700 0.005 0.000 1.039 80 T CA 1.549 63.658 62.100 0.016 0.000 1.142 80 T CB -0.224 68.652 68.868 0.014 0.000 0.868 80 T HN 0.453 nan 8.240 nan 0.000 0.435 81 N N 0.392 119.096 118.700 0.006 0.000 2.415 81 N HA 0.127 4.844 4.740 -0.038 0.000 0.176 81 N C 1.396 176.905 175.510 -0.002 0.000 1.042 81 N CA 0.832 53.883 53.050 0.002 0.000 0.902 81 N CB 0.019 38.508 38.487 0.004 0.000 0.986 81 N HN 0.533 nan 8.380 nan 0.000 0.447 82 G N 1.142 109.939 108.800 -0.005 0.000 2.212 82 G HA2 -0.247 3.690 3.960 -0.038 0.000 0.255 82 G HA3 -0.247 3.690 3.960 -0.038 0.000 0.255 82 G C 0.099 174.994 174.900 -0.008 0.000 1.062 82 G CA 0.776 45.868 45.100 -0.013 0.000 0.815 82 G HN 0.556 nan 8.290 nan 0.000 0.497 83 T N -3.599 110.954 114.554 -0.001 0.000 2.907 83 T HA 0.730 5.057 4.350 -0.038 0.000 0.290 83 T C -0.324 174.382 174.700 0.010 0.000 1.066 83 T CA -0.634 61.468 62.100 0.004 0.000 1.012 83 T CB 2.793 71.664 68.868 0.006 0.000 1.184 83 T HN 0.775 nan 8.240 nan 0.000 0.522 84 V N 2.233 122.155 119.914 0.013 0.000 2.318 84 V HA 0.302 4.399 4.120 -0.038 0.000 0.271 84 V C 1.102 177.211 176.094 0.024 0.000 1.030 84 V CA -0.483 61.829 62.300 0.021 0.000 0.844 84 V CB 0.267 32.102 31.823 0.019 0.000 1.015 84 V HN 0.864 nan 8.190 nan 0.000 0.460 85 I N 2.909 123.498 120.570 0.032 0.000 2.353 85 I HA -0.011 4.137 4.170 -0.038 0.000 0.248 85 I C 1.153 177.290 176.117 0.032 0.000 1.119 85 I CA 1.273 62.590 61.300 0.029 0.000 1.417 85 I CB 0.223 38.242 38.000 0.033 0.000 1.078 85 I HN 0.612 nan 8.210 nan 0.000 0.421 86 S N -0.668 115.058 115.700 0.043 0.000 2.570 86 S HA 0.807 5.255 4.470 -0.038 0.000 0.270 86 S C -1.645 172.989 174.600 0.057 0.000 1.149 86 S CA -0.350 57.878 58.200 0.047 0.000 0.837 86 S CB 1.793 65.026 63.200 0.055 0.000 1.124 86 S HN 0.124 nan 8.310 nan 0.000 0.465 87 A N 2.646 125.497 122.820 0.052 0.000 2.604 87 A HA 0.606 4.903 4.320 -0.038 0.000 0.285 87 A C -1.501 176.110 177.584 0.044 0.000 1.095 87 A CA -0.373 51.697 52.037 0.055 0.000 0.842 87 A CB 0.601 19.625 19.000 0.040 0.000 1.385 87 A HN 0.751 nan 8.150 nan 0.000 0.404 88 V N 1.711 121.659 119.914 0.055 0.000 2.513 88 V HA 0.457 4.554 4.120 -0.038 0.000 0.299 88 V C 0.343 176.444 176.094 0.011 0.000 1.035 88 V CA -0.594 61.727 62.300 0.034 0.000 0.889 88 V CB 1.755 33.607 31.823 0.047 0.000 0.988 88 V HN 0.913 nan 8.190 nan 0.000 0.440 89 E N 3.277 123.468 120.200 -0.014 0.000 2.283 89 E HA 0.548 4.876 4.350 -0.038 0.000 0.278 89 E C -1.338 175.214 176.600 -0.079 0.000 1.027 89 E CA -0.524 55.850 56.400 -0.043 0.000 0.843 89 E CB 1.072 30.749 29.700 -0.037 0.000 1.062 89 E HN 0.553 nan 8.360 nan 0.000 0.401 90 L N 3.374 124.516 121.223 -0.136 0.000 2.317 90 L HA 0.307 4.624 4.340 -0.038 0.000 0.281 90 L C -0.079 176.683 176.870 -0.180 0.000 1.024 90 L CA -0.763 53.951 54.840 -0.210 0.000 0.810 90 L CB 1.413 43.219 42.059 -0.421 0.000 1.240 90 L HN 0.504 nan 8.230 nan 0.000 0.427 91 D N 1.459 121.767 120.400 -0.154 0.000 2.500 91 D HA 0.049 4.666 4.640 -0.038 0.000 0.219 91 D C 1.302 177.516 176.300 -0.144 0.000 1.137 91 D CA -0.194 53.735 54.000 -0.119 0.000 0.946 91 D CB 1.228 41.981 40.800 -0.079 0.000 1.022 91 D HN 0.714 nan 8.370 nan 0.000 0.518 92 T N 0.606 115.057 114.554 -0.172 0.000 2.803 92 T HA -0.171 4.156 4.350 -0.038 0.000 0.269 92 T C 1.826 176.455 174.700 -0.119 0.000 1.052 92 T CA 1.070 63.060 62.100 -0.183 0.000 1.136 92 T CB -0.082 68.676 68.868 -0.182 0.000 0.864 92 T HN 0.254 nan 8.240 nan 0.000 0.467 93 A N 1.072 123.833 122.820 -0.099 0.000 2.067 93 A HA 0.477 4.774 4.320 -0.038 0.000 0.219 93 A C 2.603 180.136 177.584 -0.085 0.000 1.158 93 A CA 1.489 53.472 52.037 -0.090 0.000 0.661 93 A CB -0.953 18.002 19.000 -0.076 0.000 0.801 93 A HN 0.769 nan 8.150 nan 0.000 0.452 94 A N -0.819 121.963 122.820 -0.063 0.000 1.909 94 A HA 0.133 4.430 4.320 -0.038 0.000 0.209 94 A C 2.103 179.719 177.584 0.053 0.000 1.247 94 A CA 1.718 53.737 52.037 -0.029 0.000 0.660 94 A CB -0.671 18.314 19.000 -0.025 0.000 0.910 94 A HN 0.689 nan 8.150 nan 0.000 0.465 95 T N -3.080 111.499 114.554 0.041 0.000 3.145 95 T HA 0.478 4.806 4.350 -0.038 0.000 0.255 95 T C 0.809 175.610 174.700 0.167 0.000 1.039 95 T CA 0.782 62.952 62.100 0.117 0.000 0.928 95 T CB -0.364 68.523 68.868 0.033 0.000 1.029 95 T HN 1.925 nan 8.240 nan 0.000 0.554 96 G N 1.167 110.045 108.800 0.131 0.000 2.690 96 G HA2 -0.026 3.911 3.960 -0.038 0.000 0.686 96 G HA3 -0.026 3.911 3.960 -0.038 0.000 0.686 96 G C -0.951 173.882 174.900 -0.111 0.000 1.277 96 G CA -1.039 44.105 45.100 0.074 0.000 0.799 96 G HN 0.331 nan 8.290 nan 0.000 0.613 97 E N -0.364 119.774 120.200 -0.104 0.000 2.345 97 E HA 0.568 4.895 4.350 -0.038 0.000 0.259 97 E C 0.750 177.272 176.600 -0.130 0.000 1.117 97 E CA -0.667 55.636 56.400 -0.162 0.000 0.913 97 E CB 1.104 30.717 29.700 -0.146 0.000 1.057 97 E HN 0.376 nan 8.360 nan 0.000 0.432 98 L N 1.828 122.953 121.223 -0.164 0.000 2.475 98 L HA 0.219 4.537 4.340 -0.038 0.000 0.253 98 L C -2.037 174.810 176.870 -0.039 0.000 1.198 98 L CA -1.410 53.401 54.840 -0.049 0.000 0.814 98 L CB -0.690 41.343 42.059 -0.044 0.000 1.134 98 L HN 0.273 nan 8.230 nan 0.000 0.478 99 P HA 0.043 nan 4.420 nan 0.000 0.269 99 P C -0.923 176.316 177.300 -0.100 0.000 1.209 99 P CA -0.290 62.815 63.100 0.008 0.000 0.776 99 P CB 0.397 32.170 31.700 0.123 0.000 0.876 100 V N 4.053 123.854 119.914 -0.189 0.000 2.655 100 V HA -0.011 4.086 4.120 -0.038 0.000 0.300 100 V C 0.773 176.691 176.094 -0.293 0.000 1.044 100 V CA 0.221 62.287 62.300 -0.391 0.000 1.095 100 V CB -0.344 31.042 31.823 -0.728 0.000 0.952 100 V HN 0.317 nan 8.190 nan 0.000 0.485 101 L N 3.413 124.434 121.223 -0.336 0.000 2.379 101 L HA 0.364 4.682 4.340 -0.038 0.000 0.269 101 L C 1.486 178.301 176.870 -0.092 0.000 1.084 101 L CA -0.331 54.423 54.840 -0.144 0.000 0.802 101 L CB 0.715 42.698 42.059 -0.127 0.000 1.175 101 L HN 0.662 nan 8.230 nan 0.000 0.448 102 E N 1.027 121.332 120.200 0.175 0.000 2.118 102 E HA -0.251 4.076 4.350 -0.038 0.000 0.195 102 E C 1.693 178.444 176.600 0.252 0.000 0.992 102 E CA 1.748 58.384 56.400 0.392 0.000 0.804 102 E CB 0.140 30.061 29.700 0.369 0.000 0.741 102 E HN 0.759 nan 8.360 nan 0.000 0.458 103 E N 0.931 121.207 120.200 0.127 0.000 2.204 103 E HA -0.221 4.107 4.350 -0.038 0.000 0.195 103 E C 1.578 178.210 176.600 0.053 0.000 0.990 103 E CA 1.091 57.554 56.400 0.105 0.000 0.821 103 E CB -0.157 29.599 29.700 0.094 0.000 0.750 103 E HN 0.310 nan 8.360 nan 0.000 0.477 104 E N 0.046 120.213 120.200 -0.056 0.000 2.107 104 E HA -0.098 4.230 4.350 -0.038 0.000 0.191 104 E C 1.706 178.258 176.600 -0.081 0.000 0.982 104 E CA 0.824 57.144 56.400 -0.133 0.000 0.809 104 E CB -0.164 29.360 29.700 -0.293 0.000 0.756 104 E HN 0.249 nan 8.360 nan 0.000 0.459 105 F N 1.960 121.943 119.950 0.055 0.000 2.134 105 F HA -0.155 4.349 4.527 -0.038 0.000 0.299 105 F C 2.147 177.988 175.800 0.069 0.000 1.097 105 F CA 1.226 59.272 58.000 0.076 0.000 1.264 105 F CB -0.507 38.570 39.000 0.128 0.000 1.001 105 F HN 0.005 nan 8.300 nan 0.000 0.479 106 E N -0.510 119.851 120.200 0.269 0.000 2.118 106 E HA -0.190 4.137 4.350 -0.038 0.000 0.195 106 E C 2.356 179.020 176.600 0.106 0.000 0.992 106 E CA 1.366 57.870 56.400 0.174 0.000 0.804 106 E CB -0.602 29.192 29.700 0.155 0.000 0.741 106 E HN 0.226 nan 8.360 nan 0.000 0.458 107 V N 0.891 120.851 119.914 0.076 0.000 2.759 107 V HA -0.176 3.922 4.120 -0.038 0.000 0.256 107 V C 2.108 178.203 176.094 0.002 0.000 1.080 107 V CA 0.891 63.210 62.300 0.033 0.000 1.101 107 V CB 0.043 31.875 31.823 0.015 0.000 0.698 107 V HN 0.102 nan 8.190 nan 0.000 0.477 108 V N -0.064 119.858 119.914 0.014 0.000 2.255 108 V HA -0.313 3.784 4.120 -0.038 0.000 0.247 108 V C 2.377 178.408 176.094 -0.105 0.000 1.051 108 V CA 2.621 64.896 62.300 -0.042 0.000 1.018 108 V CB -0.619 31.210 31.823 0.010 0.000 0.641 108 V HN 0.693 nan 8.190 nan 0.000 0.445 109 E N -0.370 119.806 120.200 -0.040 0.000 2.051 109 E HA -0.285 4.042 4.350 -0.038 0.000 0.192 109 E C 2.310 178.875 176.600 -0.060 0.000 0.991 109 E CA 1.661 58.032 56.400 -0.049 0.000 0.799 109 E CB -0.109 29.614 29.700 0.038 0.000 0.748 109 E HN 0.681 nan 8.360 nan 0.000 0.449 110 Q N 0.250 120.039 119.800 -0.019 0.000 2.045 110 Q HA -0.214 4.103 4.340 -0.038 0.000 0.206 110 Q C 2.463 178.439 176.000 -0.040 0.000 0.991 110 Q CA 1.807 57.605 55.803 -0.008 0.000 0.851 110 Q CB -0.198 28.545 28.738 0.009 0.000 0.911 110 Q HN 0.352 nan 8.270 nan 0.000 0.418 111 L N 0.178 121.359 121.223 -0.071 0.000 2.017 111 L HA -0.226 4.092 4.340 -0.038 0.000 0.208 111 L C 2.352 179.134 176.870 -0.147 0.000 1.073 111 L CA 1.030 55.815 54.840 -0.091 0.000 0.745 111 L CB -0.388 41.612 42.059 -0.098 0.000 0.894 111 L HN 0.267 nan 8.230 nan 0.000 0.432 112 L N -0.490 120.556 121.223 -0.294 0.000 2.127 112 L HA -0.205 4.113 4.340 -0.038 0.000 0.211 112 L C 2.727 179.455 176.870 -0.236 0.000 1.089 112 L CA 0.981 55.498 54.840 -0.538 0.000 0.757 112 L CB -0.707 40.543 42.059 -1.348 0.000 0.899 112 L HN 0.264 nan 8.230 nan 0.000 0.434 113 A N -0.368 122.408 122.820 -0.074 0.000 2.131 113 A HA -0.174 4.124 4.320 -0.038 0.000 0.220 113 A C 2.074 179.723 177.584 0.107 0.000 1.158 113 A CA 2.010 54.116 52.037 0.114 0.000 0.665 113 A CB -0.689 18.361 19.000 0.084 0.000 0.795 113 A HN 0.539 nan 8.150 nan 0.000 0.460 114 T N -3.878 110.708 114.554 0.053 0.000 3.040 114 T HA 0.166 4.494 4.350 -0.038 0.000 0.266 114 T C 0.132 174.863 174.700 0.052 0.000 1.005 114 T CA 0.011 62.141 62.100 0.050 0.000 0.906 114 T CB -0.076 68.807 68.868 0.024 0.000 1.082 114 T HN 0.337 nan 8.240 nan 0.000 0.531 115 D N 1.462 121.902 120.400 0.067 0.000 2.308 115 D HA 0.090 4.707 4.640 -0.038 0.000 0.251 115 D C 0.600 176.973 176.300 0.121 0.000 1.127 115 D CA -0.200 53.843 54.000 0.072 0.000 0.876 115 D CB 1.370 42.200 40.800 0.049 0.000 1.176 115 D HN -0.002 nan 8.370 nan 0.000 0.446 116 E N 3.760 124.006 120.200 0.077 0.000 2.051 116 E HA -0.179 4.148 4.350 -0.038 0.000 0.192 116 E C 1.964 178.610 176.600 0.077 0.000 0.991 116 E CA 1.089 57.528 56.400 0.065 0.000 0.799 116 E CB -0.047 29.675 29.700 0.036 0.000 0.748 116 E HN 0.568 nan 8.360 nan 0.000 0.449 117 R N -0.126 120.425 120.500 0.084 0.000 2.096 117 R HA -0.104 4.214 4.340 -0.038 0.000 0.235 117 R C 2.317 178.699 176.300 0.136 0.000 1.127 117 R CA 1.327 57.476 56.100 0.081 0.000 0.968 117 R CB -0.362 29.979 30.300 0.067 0.000 0.861 117 R HN 0.359 nan 8.270 nan 0.000 0.440 118 W N 1.437 122.719 121.300 -0.030 0.000 2.378 118 W HA -0.133 4.522 4.660 -0.008 0.000 0.313 118 W C 1.506 178.015 176.519 -0.017 0.000 1.197 118 W CA 1.194 58.524 57.345 -0.024 0.000 1.304 118 W CB -0.143 29.306 29.460 -0.018 0.000 1.148 118 W HN 0.071 nan 8.180 nan 0.000 0.494 119 L N 0.842 122.158 121.223 0.156 0.000 2.131 119 L HA -0.254 4.064 4.340 -0.038 0.000 0.210 119 L C 2.557 179.400 176.870 -0.046 0.000 1.092 119 L CA 1.664 56.522 54.840 0.031 0.000 0.759 119 L CB -0.878 41.229 42.059 0.079 0.000 0.903 119 L HN -0.058 nan 8.230 nan 0.000 0.435 120 K N 0.442 120.827 120.400 -0.025 0.000 2.026 120 K HA -0.179 4.119 4.320 -0.038 0.000 0.208 120 K C 2.179 178.723 176.600 -0.093 0.000 1.048 120 K CA 1.366 57.628 56.287 -0.043 0.000 0.929 120 K CB -0.120 32.368 32.500 -0.020 0.000 0.713 120 K HN 0.241 nan 8.250 nan 0.000 0.439 121 A N 1.179 123.914 122.820 -0.142 0.000 1.902 121 A HA -0.124 4.173 4.320 -0.038 0.000 0.217 121 A C 2.113 179.541 177.584 -0.260 0.000 1.181 121 A CA 1.422 53.333 52.037 -0.209 0.000 0.623 121 A CB -0.649 18.175 19.000 -0.293 0.000 0.818 121 A HN 0.332 nan 8.150 nan 0.000 0.443 122 L N -1.007 120.016 121.223 -0.333 0.000 2.093 122 L HA -0.148 4.169 4.340 -0.038 0.000 0.208 122 L C 3.073 179.848 176.870 -0.158 0.000 1.085 122 L CA 0.966 55.634 54.840 -0.287 0.000 0.755 122 L CB -0.646 41.224 42.059 -0.314 0.000 0.904 122 L HN 0.444 nan 8.230 nan 0.000 0.435 123 A N 0.339 123.088 122.820 -0.118 0.000 1.898 123 A HA -0.124 4.173 4.320 -0.038 0.000 0.216 123 A C 2.525 180.066 177.584 -0.071 0.000 1.181 123 A CA 1.558 53.550 52.037 -0.075 0.000 0.620 123 A CB -0.606 18.362 19.000 -0.052 0.000 0.819 123 A HN 0.379 nan 8.150 nan 0.000 0.442 124 A N -0.453 122.318 122.820 -0.080 0.000 2.070 124 A HA -0.118 4.179 4.320 -0.038 0.000 0.220 124 A C 2.090 179.633 177.584 -0.069 0.000 1.159 124 A CA 1.479 53.475 52.037 -0.069 0.000 0.656 124 A CB -0.318 18.640 19.000 -0.071 0.000 0.800 124 A HN 0.552 nan 8.150 nan 0.000 0.453 125 R N -0.980 119.469 120.500 -0.085 0.000 2.362 125 R HA 0.118 4.435 4.340 -0.038 0.000 0.227 125 R C -0.279 175.981 176.300 -0.067 0.000 0.905 125 R CA 0.158 56.212 56.100 -0.077 0.000 1.067 125 R CB 0.234 30.475 30.300 -0.098 0.000 1.078 125 R HN 0.449 nan 8.270 nan 0.000 0.516 126 N N 0.934 119.596 118.700 -0.064 0.000 2.754 126 N HA -0.174 4.543 4.740 -0.038 0.000 0.248 126 N C -1.062 174.416 175.510 -0.054 0.000 1.093 126 N CA 0.944 53.963 53.050 -0.051 0.000 0.699 126 N CB -1.428 37.036 38.487 -0.038 0.000 1.016 126 N HN 0.265 nan 8.380 nan 0.000 0.552 127 L N 0.251 121.432 121.223 -0.071 0.000 2.296 127 L HA 0.330 4.647 4.340 -0.038 0.000 0.286 127 L C 0.678 177.517 176.870 -0.052 0.000 1.023 127 L CA -0.883 53.916 54.840 -0.069 0.000 0.812 127 L CB 1.410 43.410 42.059 -0.098 0.000 1.223 127 L HN -0.096 nan 8.230 nan 0.000 0.421 128 D N 2.331 122.713 120.400 -0.029 0.000 2.382 128 D HA -0.025 4.592 4.640 -0.038 0.000 0.259 128 D C 0.879 177.183 176.300 0.006 0.000 1.224 128 D CA 0.200 54.195 54.000 -0.008 0.000 0.894 128 D CB 1.707 42.508 40.800 0.001 0.000 1.127 128 D HN 0.309 nan 8.370 nan 0.000 0.487 129 V N 4.008 123.935 119.914 0.021 0.000 2.546 129 V HA -0.273 3.824 4.120 -0.038 0.000 0.254 129 V C 2.113 178.255 176.094 0.080 0.000 1.076 129 V CA 2.830 65.169 62.300 0.066 0.000 1.087 129 V CB -0.474 31.408 31.823 0.100 0.000 0.674 129 V HN 0.741 nan 8.190 nan 0.000 0.470 130 S N -1.258 114.475 115.700 0.055 0.000 2.481 130 S HA -0.109 4.338 4.470 -0.038 0.000 0.231 130 S C 1.726 176.354 174.600 0.046 0.000 0.996 130 S CA 1.122 59.353 58.200 0.053 0.000 0.942 130 S CB -0.343 62.882 63.200 0.042 0.000 0.768 130 S HN 0.722 nan 8.310 nan 0.000 0.520 131 K N 0.567 120.989 120.400 0.037 0.000 2.358 131 K HA 0.307 4.604 4.320 -0.038 0.000 0.197 131 K C -0.671 175.945 176.600 0.026 0.000 1.025 131 K CA -0.067 56.233 56.287 0.021 0.000 1.104 131 K CB 0.893 33.396 32.500 0.005 0.000 0.855 131 K HN 0.195 nan 8.250 nan 0.000 0.531 132 V N 3.383 123.333 119.914 0.060 0.000 2.368 132 V HA 0.190 4.287 4.120 -0.038 0.000 0.266 132 V C 0.142 176.316 176.094 0.133 0.000 1.045 132 V CA -0.686 61.670 62.300 0.094 0.000 0.899 132 V CB 0.651 32.547 31.823 0.120 0.000 1.006 132 V HN 0.157 nan 8.190 nan 0.000 0.470 133 R N 3.351 123.913 120.500 0.104 0.000 2.459 133 R HA 0.602 4.920 4.340 -0.038 0.000 0.281 133 R C -0.717 175.697 176.300 0.189 0.000 1.050 133 R CA -0.478 55.677 56.100 0.092 0.000 1.055 133 R CB 1.779 32.064 30.300 -0.025 0.000 1.045 133 R HN 0.442 nan 8.270 nan 0.000 0.495 134 V N 1.702 121.726 119.914 0.183 0.000 2.448 134 V HA 0.425 4.523 4.120 -0.038 0.000 0.295 134 V C -0.018 176.226 176.094 0.250 0.000 1.025 134 V CA -1.139 61.312 62.300 0.251 0.000 0.859 134 V CB 1.783 33.699 31.823 0.155 0.000 0.988 134 V HN 0.836 nan 8.190 nan 0.000 0.431 135 A N 7.504 130.556 122.820 0.387 0.000 2.343 135 A HA 0.639 4.936 4.320 -0.038 0.000 0.305 135 A C -2.317 175.492 177.584 0.374 0.000 1.308 135 A CA -1.389 50.896 52.037 0.414 0.000 0.949 135 A CB 0.038 19.457 19.000 0.698 0.000 1.148 135 A HN 0.575 nan 8.150 nan 0.000 0.545 136 P HA 0.345 nan 4.420 nan 0.000 0.280 136 P C -0.729 176.816 177.300 0.410 0.000 1.386 136 P CA 0.208 63.510 63.100 0.338 0.000 0.899 136 P CB 0.541 32.498 31.700 0.429 0.000 1.098 137 L N 2.092 123.521 121.223 0.343 0.000 2.334 137 L HA 0.458 4.776 4.340 -0.038 0.000 0.270 137 L C 1.163 178.191 176.870 0.263 0.000 1.018 137 L CA -1.040 54.003 54.840 0.338 0.000 0.811 137 L CB 1.459 43.684 42.059 0.277 0.000 1.271 137 L HN 0.286 nan 8.230 nan 0.000 0.443 138 S N 0.247 116.098 115.700 0.253 0.000 2.566 138 S HA 0.183 4.631 4.470 -0.038 0.000 0.280 138 S C 0.742 175.437 174.600 0.159 0.000 1.343 138 S CA -0.030 58.250 58.200 0.132 0.000 1.036 138 S CB 1.310 64.588 63.200 0.130 0.000 0.866 138 S HN 0.735 nan 8.310 nan 0.000 0.526 139 A N 2.707 125.556 122.820 0.050 0.000 2.044 139 A HA 0.584 4.881 4.320 -0.038 0.000 0.213 139 A C 1.531 179.239 177.584 0.208 0.000 1.169 139 A CA 0.586 52.630 52.037 0.012 0.000 0.724 139 A CB -1.446 17.471 19.000 -0.138 0.000 0.840 139 A HN 2.314 nan 8.150 nan 0.000 0.463 140 G N -1.574 107.315 108.800 0.149 0.000 2.697 140 G HA2 -0.055 3.883 3.960 -0.038 0.000 0.240 140 G HA3 -0.055 3.883 3.960 -0.038 0.000 0.240 140 G C -0.397 174.436 174.900 -0.111 0.000 1.346 140 G CA -0.187 44.961 45.100 0.079 0.000 0.887 140 G HN 1.088 nan 8.290 nan 0.000 0.569 141 V N 0.982 120.615 119.914 -0.468 0.000 2.443 141 V HA 0.743 4.841 4.120 -0.038 0.000 0.293 141 V C -0.093 175.490 176.094 -0.852 0.000 1.021 141 V CA -0.328 61.706 62.300 -0.443 0.000 0.848 141 V CB 1.215 32.832 31.823 -0.343 0.000 0.998 141 V HN 0.694 nan 8.190 nan 0.000 0.424 142 F N 1.859 121.756 119.950 -0.088 0.000 3.255 142 F HA 0.438 4.944 4.527 -0.036 0.000 0.204 142 F C 1.495 177.125 175.800 -0.282 0.000 1.613 142 F CA -0.566 57.328 58.000 -0.176 0.000 0.925 142 F CB 0.297 39.180 39.000 -0.195 0.000 1.893 142 F HN 0.444 nan 8.300 nan 0.000 0.306 143 E N 0.555 120.564 120.200 -0.318 0.000 2.444 143 E HA 0.021 4.348 4.350 -0.038 0.000 0.191 143 E C -1.126 175.309 176.600 -0.275 0.000 1.041 143 E CA 0.156 56.375 56.400 -0.303 0.000 0.883 143 E CB -0.804 28.758 29.700 -0.230 0.000 1.024 143 E HN 0.480 nan 8.360 nan 0.000 0.470 144 Y N 1.179 121.518 120.300 0.067 0.000 2.751 144 Y HA 0.490 5.018 4.550 -0.037 0.000 0.333 144 Y C 1.602 177.504 175.900 0.004 0.000 1.122 144 Y CA -0.558 57.566 58.100 0.040 0.000 1.367 144 Y CB 0.575 39.056 38.460 0.036 0.000 1.242 144 Y HN 0.080 nan 8.280 nan 0.000 0.505 145 A N 2.027 124.913 122.820 0.110 0.000 1.958 145 A HA -0.251 4.047 4.320 -0.038 0.000 0.221 145 A C 2.186 179.796 177.584 0.045 0.000 1.178 145 A CA 2.009 54.075 52.037 0.048 0.000 0.642 145 A CB -0.287 18.731 19.000 0.031 0.000 0.816 145 A HN 0.719 nan 8.150 nan 0.000 0.453 146 E N 0.526 120.768 120.200 0.070 0.000 2.472 146 E HA -0.177 4.151 4.350 -0.038 0.000 0.200 146 E C 1.067 177.680 176.600 0.022 0.000 1.046 146 E CA 1.308 57.731 56.400 0.039 0.000 0.871 146 E CB -0.391 29.334 29.700 0.041 0.000 0.806 146 E HN 0.785 nan 8.360 nan 0.000 0.533 147 E N 0.673 120.896 120.200 0.038 0.000 2.447 147 E HA 0.076 4.403 4.350 -0.038 0.000 0.195 147 E C 0.135 176.718 176.600 -0.028 0.000 1.028 147 E CA -0.242 56.159 56.400 0.002 0.000 0.876 147 E CB 0.206 29.919 29.700 0.022 0.000 0.885 147 E HN 0.177 nan 8.360 nan 0.000 0.500 148 R N 0.599 121.082 120.500 -0.027 0.000 2.446 148 R HA 0.118 4.435 4.340 -0.038 0.000 0.314 148 R C 0.826 177.093 176.300 -0.055 0.000 1.003 148 R CA 0.744 56.812 56.100 -0.053 0.000 1.018 148 R CB 0.284 30.552 30.300 -0.052 0.000 0.945 148 R HN 0.287 nan 8.270 nan 0.000 0.419 149 G N 2.400 111.159 108.800 -0.069 0.000 2.217 149 G HA2 -0.235 3.703 3.960 -0.038 0.000 0.246 149 G HA3 -0.235 3.703 3.960 -0.038 0.000 0.246 149 G C 0.038 174.900 174.900 -0.062 0.000 0.990 149 G CA -0.352 44.707 45.100 -0.068 0.000 0.627 149 G HN 0.437 nan 8.290 nan 0.000 0.522 150 R N 0.265 120.729 120.500 -0.060 0.000 2.598 150 R HA 0.604 4.922 4.340 -0.038 0.000 0.279 150 R C 0.202 176.455 176.300 -0.077 0.000 0.984 150 R CA -0.880 55.185 56.100 -0.057 0.000 0.999 150 R CB 0.631 30.902 30.300 -0.049 0.000 1.114 150 R HN 0.288 nan 8.270 nan 0.000 0.493 151 R N 2.204 122.656 120.500 -0.080 0.000 2.230 151 R HA 0.373 4.691 4.340 -0.038 0.000 0.337 151 R C -0.114 176.117 176.300 -0.116 0.000 1.063 151 R CA -0.365 55.665 56.100 -0.116 0.000 0.935 151 R CB 0.518 30.734 30.300 -0.139 0.000 1.121 151 R HN 0.329 nan 8.270 nan 0.000 0.486 152 I N 4.231 124.726 120.570 -0.125 0.000 2.607 152 I HA 0.466 4.614 4.170 -0.038 0.000 0.305 152 I C 0.140 176.172 176.117 -0.141 0.000 0.995 152 I CA -0.886 60.336 61.300 -0.131 0.000 1.148 152 I CB 1.621 39.530 38.000 -0.152 0.000 1.323 152 I HN 0.452 nan 8.210 nan 0.000 0.461 153 L N 4.570 125.716 121.223 -0.127 0.000 2.401 153 L HA 0.532 4.850 4.340 -0.038 0.000 0.266 153 L C -0.409 176.388 176.870 -0.121 0.000 0.991 153 L CA -0.781 54.005 54.840 -0.089 0.000 0.818 153 L CB 2.715 44.758 42.059 -0.028 0.000 1.321 153 L HN 0.524 nan 8.230 nan 0.000 0.413 154 R N 1.048 121.448 120.500 -0.167 0.000 2.387 154 R HA 0.619 4.937 4.340 -0.038 0.000 0.314 154 R C -0.197 176.098 176.300 -0.009 0.000 0.958 154 R CA -0.635 55.306 56.100 -0.264 0.000 0.846 154 R CB 2.043 31.740 30.300 -1.006 0.000 1.147 154 R HN 0.741 nan 8.270 nan 0.000 0.447 155 G N 3.106 111.945 108.800 0.065 0.000 2.415 155 G HA2 0.589 4.527 3.960 -0.038 0.000 0.327 155 G HA3 0.589 4.527 3.960 -0.038 0.000 0.327 155 G C -0.784 174.318 174.900 0.336 0.000 1.182 155 G CA -0.605 44.605 45.100 0.183 0.000 0.924 155 G HN 0.310 nan 8.290 nan 0.000 0.470 156 L N 1.342 122.843 121.223 0.463 0.000 2.346 156 L HA 0.684 5.001 4.340 -0.038 0.000 0.276 156 L C 0.499 177.596 176.870 0.379 0.000 1.006 156 L CA -1.007 54.112 54.840 0.465 0.000 0.817 156 L CB 2.184 44.639 42.059 0.660 0.000 1.272 156 L HN 0.627 nan 8.230 nan 0.000 0.421 157 A N 2.968 125.875 122.820 0.145 0.000 2.310 157 A HA 0.827 5.124 4.320 -0.038 0.000 0.299 157 A C -1.184 176.121 177.584 -0.465 0.000 1.147 157 A CA -0.134 51.939 52.037 0.059 0.000 0.818 157 A CB 0.396 19.442 19.000 0.078 0.000 1.096 157 A HN 0.497 nan 8.150 nan 0.000 0.495 158 F N 0.952 120.898 119.950 -0.008 0.000 2.574 158 F HA 0.411 4.918 4.527 -0.032 0.000 0.313 158 F C -0.140 175.618 175.800 -0.071 0.000 1.130 158 F CA -0.652 57.292 58.000 -0.094 0.000 0.936 158 F CB 2.248 41.071 39.000 -0.295 0.000 1.219 158 F HN 0.316 nan 8.300 nan 0.000 0.445 159 V N 2.949 122.930 119.914 0.112 0.000 2.498 159 V HA 0.261 4.358 4.120 -0.038 0.000 0.279 159 V C -0.206 175.929 176.094 0.067 0.000 1.048 159 V CA -0.474 61.856 62.300 0.049 0.000 0.967 159 V CB 1.331 33.131 31.823 -0.038 0.000 0.988 159 V HN 0.766 nan 8.190 nan 0.000 0.473 160 Q N 3.066 122.856 119.800 -0.017 0.000 2.462 160 Q HA 0.209 4.526 4.340 -0.038 0.000 0.247 160 Q C 0.179 176.111 176.000 -0.114 0.000 1.044 160 Q CA -0.591 55.159 55.803 -0.088 0.000 0.803 160 Q CB 0.981 29.651 28.738 -0.115 0.000 1.190 160 Q HN 0.781 nan 8.270 nan 0.000 0.507 161 D N 3.114 123.418 120.400 -0.160 0.000 2.182 161 D HA -0.082 4.536 4.640 -0.038 0.000 0.201 161 D C 0.237 176.614 176.300 0.128 0.000 0.986 161 D CA 1.429 55.412 54.000 -0.027 0.000 0.847 161 D CB 0.099 40.947 40.800 0.080 0.000 0.942 161 D HN 0.438 nan 8.370 nan 0.000 0.467 162 F N -4.280 115.671 119.950 0.001 0.000 2.745 162 F HA 0.405 4.905 4.527 -0.045 0.000 0.316 162 F C -2.400 173.396 175.800 -0.008 0.000 1.155 162 F CA -2.172 55.825 58.000 -0.005 0.000 0.937 162 F CB 0.529 39.522 39.000 -0.011 0.000 1.361 162 F HN -0.417 nan 8.300 nan 0.000 0.472 163 P HA -0.151 nan 4.420 nan 0.000 0.214 163 P C 0.617 177.930 177.300 0.020 0.000 1.163 163 P CA 1.949 65.094 63.100 0.075 0.000 0.889 163 P CB 0.160 31.924 31.700 0.106 0.000 0.790 164 E N -0.570 119.710 120.200 0.133 0.000 2.403 164 E HA 0.052 4.379 4.350 -0.038 0.000 0.187 164 E C -0.057 176.457 176.600 -0.143 0.000 1.073 164 E CA 0.148 56.577 56.400 0.049 0.000 0.888 164 E CB -0.885 28.891 29.700 0.127 0.000 1.035 164 E HN 0.352 nan 8.360 nan 0.000 0.471 165 D N 0.167 120.230 120.400 -0.562 0.000 2.264 165 D HA 0.033 4.650 4.640 -0.038 0.000 0.249 165 D C -0.520 175.540 176.300 -0.400 0.000 1.070 165 D CA -0.215 53.254 54.000 -0.885 0.000 0.912 165 D CB 0.999 40.836 40.800 -1.605 0.000 1.193 165 D HN -0.218 nan 8.370 nan 0.000 0.427 166 S N 2.313 117.848 115.700 -0.276 0.000 2.409 166 S HA 0.441 4.888 4.470 -0.038 0.000 0.308 166 S C 1.064 175.600 174.600 -0.108 0.000 1.080 166 S CA -0.239 57.886 58.200 -0.125 0.000 1.081 166 S CB 0.285 63.458 63.200 -0.045 0.000 1.009 166 S HN 0.520 nan 8.310 nan 0.000 0.502 167 A N 4.929 127.593 122.820 -0.259 0.000 2.024 167 A HA -0.063 4.234 4.320 -0.038 0.000 0.220 167 A C 1.450 178.916 177.584 -0.196 0.000 1.164 167 A CA 1.121 53.014 52.037 -0.241 0.000 0.643 167 A CB -0.806 17.949 19.000 -0.408 0.000 0.806 167 A HN 0.995 nan 8.150 nan 0.000 0.451 168 W N -0.203 121.084 121.300 -0.022 0.000 2.387 168 W HA -0.031 4.612 4.660 -0.030 0.000 0.272 168 W C 2.399 179.039 176.519 0.201 0.000 1.224 168 W CA 0.765 58.094 57.345 -0.027 0.000 1.210 168 W CB -0.151 29.291 29.460 -0.029 0.000 1.125 168 W HN 0.378 nan 8.180 nan 0.000 0.572 169 A N -0.565 122.420 122.820 0.274 0.000 2.168 169 A HA -0.072 4.225 4.320 -0.038 0.000 0.215 169 A C 0.097 177.442 177.584 -0.398 0.000 1.152 169 A CA 0.829 52.879 52.037 0.022 0.000 0.716 169 A CB -0.849 18.096 19.000 -0.090 0.000 0.794 169 A HN 0.489 nan 8.150 nan 0.000 0.465 170 H N -0.308 118.887 119.070 0.209 0.000 2.336 170 H HA 0.256 4.802 4.556 -0.017 0.000 0.230 170 H C -2.817 172.523 175.328 0.019 0.000 1.426 170 H CA -1.966 54.139 56.048 0.095 0.000 1.359 170 H CB 0.516 30.312 29.762 0.057 0.000 1.555 170 H HN 0.271 nan 8.280 nan 0.000 0.512 171 P HA -0.005 nan 4.420 nan 0.000 0.271 171 P C -0.011 177.101 177.300 -0.313 0.000 1.218 171 P CA -0.232 62.606 63.100 -0.437 0.000 0.780 171 P CB 2.087 33.598 31.700 -0.315 0.000 0.901 172 V N 3.261 122.922 119.914 -0.421 0.000 2.259 172 V HA 0.146 4.244 4.120 -0.038 0.000 0.267 172 V C 0.630 176.580 176.094 -0.239 0.000 1.051 172 V CA -0.301 61.851 62.300 -0.248 0.000 0.830 172 V CB 0.288 31.969 31.823 -0.236 0.000 1.080 172 V HN 0.530 nan 8.190 nan 0.000 0.467 173 D N 2.969 123.230 120.400 -0.233 0.000 2.377 173 D HA 0.403 5.020 4.640 -0.038 0.000 0.245 173 D C 1.326 177.534 176.300 -0.153 0.000 1.196 173 D CA 1.394 55.176 54.000 -0.363 0.000 0.962 173 D CB 1.727 42.032 40.800 -0.825 0.000 1.127 173 D HN 0.725 nan 8.370 nan 0.000 0.471 174 G N 0.195 108.903 108.800 -0.154 0.000 2.184 174 G HA2 -0.224 3.713 3.960 -0.038 0.000 0.264 174 G HA3 -0.224 3.713 3.960 -0.038 0.000 0.264 174 G C -0.077 174.877 174.900 0.089 0.000 0.975 174 G CA 0.625 45.842 45.100 0.194 0.000 0.642 174 G HN 0.497 nan 8.290 nan 0.000 0.536 175 L N 0.070 121.307 121.223 0.024 0.000 2.436 175 L HA 0.915 5.232 4.340 -0.038 0.000 0.268 175 L C -0.693 176.258 176.870 0.135 0.000 0.974 175 L CA -1.082 53.773 54.840 0.026 0.000 0.826 175 L CB 2.369 44.361 42.059 -0.111 0.000 1.291 175 L HN 0.634 nan 8.230 nan 0.000 0.406 176 V N 4.115 124.140 119.914 0.185 0.000 2.969 176 V HA 0.959 5.057 4.120 -0.038 0.000 0.304 176 V C -1.292 174.875 176.094 0.121 0.000 1.192 176 V CA 0.265 62.715 62.300 0.250 0.000 0.962 176 V CB 2.072 34.081 31.823 0.311 0.000 1.045 176 V HN 1.171 nan 8.190 nan 0.000 0.428 177 A N 5.246 128.135 122.820 0.116 0.000 2.374 177 A HA 0.945 5.242 4.320 -0.038 0.000 0.317 177 A C -1.903 175.671 177.584 -0.017 0.000 1.094 177 A CA -0.459 51.533 52.037 -0.075 0.000 0.765 177 A CB 1.523 20.407 19.000 -0.192 0.000 1.268 177 A HN 0.829 nan 8.150 nan 0.000 0.438 178 Y N 0.737 120.911 120.300 -0.211 0.000 2.335 178 Y HA 0.580 5.109 4.550 -0.036 0.000 0.338 178 Y C -0.117 175.660 175.900 -0.204 0.000 0.977 178 Y CA -1.604 56.341 58.100 -0.258 0.000 1.114 178 Y CB 1.646 39.916 38.460 -0.318 0.000 1.182 178 Y HN 0.343 nan 8.280 nan 0.000 0.463 179 V N 3.404 123.299 119.914 -0.031 0.000 2.588 179 V HA 0.234 4.331 4.120 -0.038 0.000 0.304 179 V C -0.560 175.491 176.094 -0.071 0.000 1.042 179 V CA -1.070 61.189 62.300 -0.069 0.000 0.877 179 V CB 2.189 33.955 31.823 -0.097 0.000 0.996 179 V HN 0.652 nan 8.190 nan 0.000 0.425 180 D N 3.445 123.807 120.400 -0.063 0.000 2.380 180 D HA 0.146 4.763 4.640 -0.038 0.000 0.230 180 D C 1.003 177.269 176.300 -0.057 0.000 1.154 180 D CA -0.226 53.737 54.000 -0.061 0.000 0.859 180 D CB 1.943 42.716 40.800 -0.046 0.000 1.045 180 D HN 0.437 nan 8.370 nan 0.000 0.495 181 V N 2.587 122.459 119.914 -0.070 0.000 3.305 181 V HA -0.104 3.994 4.120 -0.038 0.000 0.269 181 V C 1.786 177.864 176.094 -0.027 0.000 1.157 181 V CA 1.296 63.558 62.300 -0.063 0.000 1.157 181 V CB -0.773 30.988 31.823 -0.104 0.000 0.772 181 V HN 0.486 nan 8.190 nan 0.000 0.498 182 V N -0.511 119.395 119.914 -0.013 0.000 2.521 182 V HA 0.046 4.143 4.120 -0.038 0.000 0.239 182 V C 2.547 178.641 176.094 0.001 0.000 1.053 182 V CA 1.603 63.916 62.300 0.021 0.000 1.073 182 V CB -0.585 31.268 31.823 0.050 0.000 0.746 182 V HN 0.584 nan 8.190 nan 0.000 0.476 183 S N -0.167 115.525 115.700 -0.012 0.000 2.515 183 S HA 0.003 4.450 4.470 -0.038 0.000 0.231 183 S C 1.080 175.669 174.600 -0.018 0.000 0.987 183 S CA 0.708 58.899 58.200 -0.015 0.000 0.936 183 S CB -0.763 62.425 63.200 -0.020 0.000 0.766 183 S HN 0.737 nan 8.310 nan 0.000 0.528 184 K N 0.966 121.353 120.400 -0.022 0.000 3.150 184 K HA -0.152 4.145 4.320 -0.038 0.000 0.267 184 K C -0.993 175.587 176.600 -0.033 0.000 1.028 184 K CA 0.906 57.177 56.287 -0.027 0.000 0.753 184 K CB -1.867 30.623 32.500 -0.017 0.000 1.288 184 K HN 0.705 nan 8.250 nan 0.000 0.473 185 E N 0.030 120.207 120.200 -0.038 0.000 2.227 185 E HA 0.389 4.717 4.350 -0.038 0.000 0.268 185 E C -0.387 176.180 176.600 -0.055 0.000 0.907 185 E CA -1.047 55.329 56.400 -0.041 0.000 0.786 185 E CB 2.279 31.959 29.700 -0.033 0.000 1.191 185 E HN -0.059 nan 8.360 nan 0.000 0.411 186 V N 2.829 122.707 119.914 -0.061 0.000 2.389 186 V HA 0.005 4.103 4.120 -0.038 0.000 0.264 186 V C 1.315 177.372 176.094 -0.062 0.000 1.049 186 V CA 0.217 62.470 62.300 -0.078 0.000 0.932 186 V CB 0.598 32.367 31.823 -0.091 0.000 1.011 186 V HN 0.950 nan 8.190 nan 0.000 0.475 187 T N 2.923 117.443 114.554 -0.056 0.000 2.985 187 T HA 0.166 4.493 4.350 -0.038 0.000 0.266 187 T C 0.761 175.408 174.700 -0.087 0.000 1.076 187 T CA 0.398 62.468 62.100 -0.051 0.000 1.135 187 T CB 0.261 69.112 68.868 -0.029 0.000 0.890 187 T HN 0.538 nan 8.240 nan 0.000 0.480 188 R N -0.783 119.629 120.500 -0.147 0.000 2.634 188 R HA 0.649 4.966 4.340 -0.038 0.000 0.263 188 R C -2.235 173.892 176.300 -0.288 0.000 1.060 188 R CA -0.673 55.271 56.100 -0.260 0.000 0.898 188 R CB 2.678 32.688 30.300 -0.482 0.000 1.253 188 R HN 0.040 nan 8.270 nan 0.000 0.461 189 V N 3.848 123.643 119.914 -0.199 0.000 2.482 189 V HA 0.484 4.581 4.120 -0.038 0.000 0.295 189 V C -0.626 175.401 176.094 -0.112 0.000 1.026 189 V CA -0.535 61.714 62.300 -0.085 0.000 0.856 189 V CB 1.754 33.620 31.823 0.072 0.000 1.001 189 V HN 0.558 nan 8.190 nan 0.000 0.424 190 I N 4.098 124.587 120.570 -0.134 0.000 2.354 190 I HA 0.482 4.629 4.170 -0.038 0.000 0.292 190 I C -0.751 175.359 176.117 -0.012 0.000 0.989 190 I CA -0.210 61.036 61.300 -0.090 0.000 1.188 190 I CB 1.772 39.696 38.000 -0.125 0.000 1.342 190 I HN 0.498 nan 8.210 nan 0.000 0.457 191 D N 4.706 125.103 120.400 -0.004 0.000 2.440 191 D HA 0.150 4.768 4.640 -0.038 0.000 0.252 191 D C 0.878 177.194 176.300 0.026 0.000 1.180 191 D CA -0.322 53.683 54.000 0.007 0.000 0.894 191 D CB 1.490 42.277 40.800 -0.021 0.000 1.111 191 D HN 0.642 nan 8.370 nan 0.000 0.544 192 T N 0.207 114.802 114.554 0.068 0.000 3.088 192 T HA 0.436 4.763 4.350 -0.038 0.000 0.259 192 T C 0.985 175.724 174.700 0.065 0.000 1.122 192 T CA 0.356 62.505 62.100 0.082 0.000 1.095 192 T CB 0.318 69.265 68.868 0.131 0.000 0.930 192 T HN 0.534 nan 8.240 nan 0.000 0.508 193 G N -0.055 108.783 108.800 0.064 0.000 2.345 193 G HA2 0.338 4.276 3.960 -0.038 0.000 0.310 193 G HA3 0.338 4.276 3.960 -0.038 0.000 0.310 193 G C -1.419 173.482 174.900 0.001 0.000 1.476 193 G CA -0.746 44.336 45.100 -0.029 0.000 0.978 193 G HN 0.224 nan 8.290 nan 0.000 0.656 194 V N 0.508 120.363 119.914 -0.098 0.000 2.649 194 V HA 0.713 4.810 4.120 -0.038 0.000 0.292 194 V C -0.306 175.696 176.094 -0.155 0.000 1.055 194 V CA 0.148 62.421 62.300 -0.046 0.000 1.023 194 V CB 0.956 32.739 31.823 -0.068 0.000 0.992 194 V HN 0.557 nan 8.190 nan 0.000 0.480 195 F N 3.648 123.563 119.950 -0.060 0.000 2.569 195 F HA 0.538 5.034 4.527 -0.051 0.000 0.312 195 F C -2.127 173.645 175.800 -0.048 0.000 1.109 195 F CA -2.237 55.732 58.000 -0.051 0.000 0.919 195 F CB 1.756 40.725 39.000 -0.053 0.000 1.211 195 F HN 0.332 nan 8.300 nan 0.000 0.446 196 P HA 0.119 nan 4.420 nan 0.000 0.266 196 P C -0.874 176.476 177.300 0.082 0.000 1.195 196 P CA -0.154 62.992 63.100 0.077 0.000 0.768 196 P CB 0.562 32.301 31.700 0.065 0.000 0.838 197 V N 6.272 126.214 119.914 0.047 0.000 2.432 197 V HA 0.178 4.275 4.120 -0.038 0.000 0.271 197 V C -1.888 174.257 176.094 0.084 0.000 1.046 197 V CA -1.571 60.755 62.300 0.043 0.000 0.945 197 V CB 0.653 32.481 31.823 0.009 0.000 0.992 197 V HN 0.571 nan 8.190 nan 0.000 0.471 198 P HA 0.026 nan 4.420 nan 0.000 0.260 198 P C 0.432 177.896 177.300 0.274 0.000 1.172 198 P CA 0.382 63.557 63.100 0.126 0.000 0.760 198 P CB 0.805 32.531 31.700 0.043 0.000 0.773 199 A N 3.952 126.886 122.820 0.189 0.000 1.975 199 A HA -0.035 4.263 4.320 -0.038 0.000 0.215 199 A C 0.777 178.532 177.584 0.286 0.000 1.170 199 A CA 0.606 52.763 52.037 0.198 0.000 0.656 199 A CB -0.426 18.634 19.000 0.100 0.000 0.821 199 A HN 0.548 nan 8.150 nan 0.000 0.449 200 E N 0.928 121.254 120.200 0.211 0.000 2.413 200 E HA 0.214 4.541 4.350 -0.038 0.000 0.263 200 E C -0.286 176.500 176.600 0.310 0.000 1.015 200 E CA -0.106 56.405 56.400 0.185 0.000 0.916 200 E CB 0.311 30.075 29.700 0.107 0.000 0.947 200 E HN 0.741 nan 8.360 nan 0.000 0.440 201 H N -0.362 118.881 119.070 0.288 0.000 2.547 201 H HA 0.421 4.952 4.556 -0.042 0.000 0.362 201 H C 0.362 175.818 175.328 0.213 0.000 1.181 201 H CA -1.068 55.129 56.048 0.249 0.000 1.376 201 H CB 1.095 31.008 29.762 0.253 0.000 1.488 201 H HN 0.500 nan 8.280 nan 0.000 0.583 202 G N 1.880 110.954 108.800 0.456 0.000 4.757 202 G HA2 0.058 3.996 3.960 -0.038 0.000 0.303 202 G HA3 0.058 3.996 3.960 -0.038 0.000 0.303 202 G C -0.677 174.250 174.900 0.045 0.000 1.318 202 G CA -0.725 44.522 45.100 0.245 0.000 1.020 202 G HN 0.643 nan 8.290 nan 0.000 0.589 203 N N 1.779 120.542 118.700 0.104 0.000 2.663 203 N HA 0.093 4.811 4.740 -0.038 0.000 0.250 203 N C 0.897 176.271 175.510 -0.228 0.000 1.129 203 N CA -0.451 52.398 53.050 -0.335 0.000 0.995 203 N CB 0.485 38.655 38.487 -0.528 0.000 1.324 203 N HN 0.592 nan 8.380 nan 0.000 0.512 204 Y N -0.703 119.565 120.300 -0.054 0.000 2.716 204 Y HA 0.019 4.547 4.550 -0.037 0.000 0.302 204 Y C 1.226 177.108 175.900 -0.031 0.000 1.160 204 Y CA 0.222 58.291 58.100 -0.053 0.000 1.362 204 Y CB -0.478 37.916 38.460 -0.110 0.000 0.988 204 Y HN 0.095 nan 8.280 nan 0.000 0.546 205 T N -1.157 113.339 114.554 -0.097 0.000 3.023 205 T HA 0.001 4.328 4.350 -0.038 0.000 0.253 205 T C -0.057 174.627 174.700 -0.027 0.000 1.038 205 T CA 0.031 62.118 62.100 -0.022 0.000 0.962 205 T CB -0.126 68.707 68.868 -0.058 0.000 1.018 205 T HN 0.236 nan 8.240 nan 0.000 0.521 206 D N 2.253 122.622 120.400 -0.051 0.000 2.339 206 D HA 0.164 4.782 4.640 -0.038 0.000 0.256 206 D C -1.814 174.510 176.300 0.040 0.000 1.214 206 D CA -2.412 51.573 54.000 -0.026 0.000 0.877 206 D CB 1.740 42.480 40.800 -0.101 0.000 1.111 206 D HN -0.017 nan 8.370 nan 0.000 0.478 207 P HA -0.149 nan 4.420 nan 0.000 0.221 207 P C 1.057 178.394 177.300 0.061 0.000 1.145 207 P CA 0.658 63.782 63.100 0.041 0.000 0.795 207 P CB 0.266 31.981 31.700 0.025 0.000 0.775 208 E N -0.330 119.920 120.200 0.083 0.000 2.153 208 E HA -0.181 4.146 4.350 -0.038 0.000 0.194 208 E C 1.628 178.306 176.600 0.131 0.000 0.988 208 E CA 1.088 57.554 56.400 0.109 0.000 0.811 208 E CB -0.419 29.373 29.700 0.153 0.000 0.746 208 E HN 0.161 nan 8.360 nan 0.000 0.466 209 L N 0.622 121.953 121.223 0.179 0.000 2.221 209 L HA -0.016 4.302 4.340 -0.038 0.000 0.202 209 L C 2.550 179.483 176.870 0.105 0.000 1.074 209 L CA 2.123 57.066 54.840 0.171 0.000 0.795 209 L CB -0.686 41.567 42.059 0.324 0.000 0.960 209 L HN 0.186 nan 8.230 nan 0.000 0.458 210 T N -2.582 112.026 114.554 0.091 0.000 2.985 210 T HA 0.356 4.683 4.350 -0.038 0.000 0.266 210 T C 1.181 175.909 174.700 0.047 0.000 1.076 210 T CA 0.523 62.661 62.100 0.064 0.000 1.135 210 T CB -0.844 68.059 68.868 0.057 0.000 0.890 210 T HN 0.769 nan 8.240 nan 0.000 0.480 211 G N 2.287 111.115 108.800 0.047 0.000 2.782 211 G HA2 -0.048 3.889 3.960 -0.038 0.000 0.228 211 G HA3 -0.048 3.889 3.960 -0.038 0.000 0.228 211 G C -2.792 172.125 174.900 0.028 0.000 1.372 211 G CA -0.576 44.545 45.100 0.035 0.000 0.862 211 G HN 0.564 nan 8.290 nan 0.000 0.547 212 P HA 0.397 nan 4.420 nan 0.000 0.268 212 P C -0.077 177.233 177.300 0.017 0.000 1.205 212 P CA -0.334 62.777 63.100 0.018 0.000 0.771 212 P CB 0.785 32.494 31.700 0.014 0.000 0.858 213 L N 3.943 125.175 121.223 0.015 0.000 2.426 213 L HA 0.155 4.473 4.340 -0.038 0.000 0.271 213 L C 1.510 178.386 176.870 0.010 0.000 1.169 213 L CA 0.077 54.925 54.840 0.013 0.000 0.836 213 L CB -0.549 41.518 42.059 0.013 0.000 1.112 213 L HN 0.362 nan 8.230 nan 0.000 0.465 214 R N 1.060 121.564 120.500 0.007 0.000 2.566 214 R HA 0.024 4.341 4.340 -0.038 0.000 0.273 214 R C 0.486 176.789 176.300 0.004 0.000 0.981 214 R CA 0.917 57.020 56.100 0.005 0.000 1.091 214 R CB 0.124 30.425 30.300 0.002 0.000 0.924 214 R HN 0.799 nan 8.270 nan 0.000 0.411 215 T N -3.303 111.253 114.554 0.004 0.000 3.145 215 T HA 0.007 4.335 4.350 -0.038 0.000 0.281 215 T C 1.269 175.970 174.700 0.002 0.000 1.003 215 T CA 0.032 62.134 62.100 0.003 0.000 0.901 215 T CB 0.451 69.322 68.868 0.004 0.000 1.112 215 T HN 0.670 nan 8.240 nan 0.000 0.535 216 T N -0.503 114.051 114.554 0.001 0.000 3.067 216 T HA 0.118 4.446 4.350 -0.038 0.000 0.257 216 T C 0.810 175.509 174.700 -0.001 0.000 1.105 216 T CA -0.033 62.067 62.100 -0.000 0.000 1.104 216 T CB -0.367 68.500 68.868 -0.001 0.000 0.925 216 T HN 0.402 nan 8.240 nan 0.000 0.498 217 Q N 1.947 121.746 119.800 -0.001 0.000 2.348 217 Q HA 0.316 4.634 4.340 -0.038 0.000 0.251 217 Q C -0.665 175.335 176.000 0.000 0.000 1.113 217 Q CA -0.192 55.610 55.803 -0.001 0.000 0.902 217 Q CB 0.636 29.373 28.738 -0.002 0.000 1.333 217 Q HN 0.216 nan 8.270 nan 0.000 0.457 218 K N 3.423 123.823 120.400 -0.000 0.000 2.202 218 K HA 0.232 4.529 4.320 -0.038 0.000 0.264 218 K C -2.065 174.537 176.600 0.002 0.000 1.010 218 K CA -1.279 55.009 56.287 0.001 0.000 0.940 218 K CB 0.219 32.719 32.500 0.000 0.000 0.983 218 K HN 0.372 nan 8.250 nan 0.000 0.475 219 P HA 0.167 nan 4.420 nan 0.000 0.275 219 P C -0.774 176.531 177.300 0.008 0.000 1.227 219 P CA 0.051 63.155 63.100 0.007 0.000 0.781 219 P CB 0.548 32.254 31.700 0.009 0.000 0.906 220 I N 2.146 122.722 120.570 0.010 0.000 2.382 220 I HA 0.131 4.279 4.170 -0.038 0.000 0.285 220 I C 0.341 176.470 176.117 0.019 0.000 1.007 220 I CA -0.530 60.778 61.300 0.013 0.000 1.142 220 I CB 1.426 39.434 38.000 0.012 0.000 1.289 220 I HN 0.313 nan 8.210 nan 0.000 0.453 221 S N 7.156 122.868 115.700 0.020 0.000 2.442 221 S HA 0.681 5.128 4.470 -0.038 0.000 0.297 221 S C -0.481 174.138 174.600 0.032 0.000 1.131 221 S CA -0.702 57.513 58.200 0.025 0.000 1.092 221 S CB 1.405 64.618 63.200 0.022 0.000 0.998 221 S HN 0.448 nan 8.310 nan 0.000 0.478 222 I N 3.698 124.293 120.570 0.041 0.000 2.354 222 I HA 0.398 4.546 4.170 -0.038 0.000 0.286 222 I C 0.252 176.402 176.117 0.055 0.000 1.007 222 I CA -0.344 60.989 61.300 0.054 0.000 1.167 222 I CB 1.516 39.558 38.000 0.070 0.000 1.320 222 I HN 0.855 nan 8.210 nan 0.000 0.458 223 T N 1.960 116.544 114.554 0.051 0.000 2.901 223 T HA 0.518 4.845 4.350 -0.038 0.000 0.293 223 T C -0.646 174.086 174.700 0.052 0.000 1.084 223 T CA -0.874 61.255 62.100 0.048 0.000 1.008 223 T CB 2.346 71.236 68.868 0.036 0.000 1.170 223 T HN 0.505 nan 8.240 nan 0.000 0.509 224 Q N 1.030 120.858 119.800 0.047 0.000 2.616 224 Q HA 0.258 4.575 4.340 -0.038 0.000 0.250 224 Q C -2.201 173.816 176.000 0.028 0.000 0.991 224 Q CA -1.885 53.944 55.803 0.044 0.000 0.707 224 Q CB 1.880 30.648 28.738 0.051 0.000 1.247 224 Q HN 0.509 nan 8.270 nan 0.000 0.491 225 P HA -0.218 nan 4.420 nan 0.000 0.217 225 P C 0.132 177.439 177.300 0.012 0.000 1.151 225 P CA 1.508 64.619 63.100 0.018 0.000 0.849 225 P CB 0.353 32.064 31.700 0.018 0.000 0.787 226 E N -1.224 118.983 120.200 0.011 0.000 2.558 226 E HA 0.371 4.699 4.350 -0.038 0.000 0.205 226 E C 0.761 177.355 176.600 -0.010 0.000 1.006 226 E CA -0.074 56.328 56.400 0.002 0.000 0.961 226 E CB 0.164 29.867 29.700 0.005 0.000 1.044 226 E HN 0.128 nan 8.360 nan 0.000 0.465 227 G N 2.922 111.716 108.800 -0.011 0.000 2.828 227 G HA2 -0.207 3.730 3.960 -0.038 0.000 0.463 227 G HA3 -0.207 3.730 3.960 -0.038 0.000 0.463 227 G C -2.639 172.225 174.900 -0.061 0.000 1.394 227 G CA -0.866 44.210 45.100 -0.041 0.000 0.862 227 G HN 0.040 nan 8.290 nan 0.000 0.540 228 P HA 0.343 nan 4.420 nan 0.000 0.272 228 P C 0.519 177.709 177.300 -0.183 0.000 1.240 228 P CA 0.167 63.119 63.100 -0.247 0.000 0.791 228 P CB 1.201 32.411 31.700 -0.816 0.000 0.978 229 S N -0.168 115.554 115.700 0.038 0.000 2.548 229 S HA 0.145 4.593 4.470 -0.038 0.000 0.215 229 S C 0.642 175.404 174.600 0.270 0.000 0.976 229 S CA -0.019 58.277 58.200 0.161 0.000 0.908 229 S CB -0.672 62.692 63.200 0.273 0.000 0.781 229 S HN 0.558 nan 8.310 nan 0.000 0.519 230 F N 2.094 122.250 119.950 0.342 0.000 2.403 230 F HA 0.749 5.253 4.527 -0.038 0.000 0.326 230 F C 0.144 176.041 175.800 0.161 0.000 1.081 230 F CA -1.086 57.099 58.000 0.309 0.000 1.041 230 F CB 0.332 39.486 39.000 0.256 0.000 1.234 230 F HN -0.150 nan 8.300 nan 0.000 0.503 231 T N -0.139 114.595 114.554 0.301 0.000 2.856 231 T HA 0.720 5.047 4.350 -0.038 0.000 0.283 231 T C -1.049 173.817 174.700 0.277 0.000 1.008 231 T CA -0.815 61.394 62.100 0.181 0.000 0.997 231 T CB 1.442 70.394 68.868 0.140 0.000 0.992 231 T HN 0.659 nan 8.240 nan 0.000 0.454 232 V N 3.582 123.631 119.914 0.226 0.000 2.409 232 V HA 0.708 4.806 4.120 -0.038 0.000 0.291 232 V C 0.414 176.609 176.094 0.168 0.000 1.020 232 V CA -0.623 61.807 62.300 0.217 0.000 0.848 232 V CB 1.163 33.117 31.823 0.219 0.000 0.990 232 V HN 1.277 nan 8.190 nan 0.000 0.430 233 T N 0.194 114.863 114.554 0.192 0.000 2.906 233 T HA 0.679 5.006 4.350 -0.038 0.000 0.295 233 T C 0.748 175.540 174.700 0.154 0.000 1.075 233 T CA -0.066 62.126 62.100 0.153 0.000 1.005 233 T CB 1.780 70.734 68.868 0.143 0.000 1.136 233 T HN 1.719 nan 8.240 nan 0.000 0.498 234 G N -0.007 108.854 108.800 0.101 0.000 2.225 234 G HA2 0.112 4.049 3.960 -0.038 0.000 0.267 234 G HA3 0.112 4.049 3.960 -0.038 0.000 0.267 234 G C 1.363 176.323 174.900 0.101 0.000 1.024 234 G CA 0.956 46.109 45.100 0.089 0.000 0.784 234 G HN 2.413 nan 8.290 nan 0.000 0.507 235 G N -0.009 108.850 108.800 0.098 0.000 2.507 235 G HA2 -0.321 3.616 3.960 -0.038 0.000 0.240 235 G HA3 -0.321 3.616 3.960 -0.038 0.000 0.240 235 G C 0.963 175.924 174.900 0.101 0.000 1.119 235 G CA 1.390 46.544 45.100 0.091 0.000 0.664 235 G HN 2.206 nan 8.290 nan 0.000 0.516 236 N N -0.438 118.334 118.700 0.120 0.000 2.232 236 N HA 0.106 4.823 4.740 -0.038 0.000 0.240 236 N C -0.242 175.341 175.510 0.121 0.000 1.307 236 N CA 0.100 53.214 53.050 0.107 0.000 0.859 236 N CB -0.299 38.248 38.487 0.100 0.000 1.260 236 N HN 0.585 nan 8.380 nan 0.000 0.501 237 H N 1.667 120.782 119.070 0.076 0.000 2.552 237 H HA 0.310 4.843 4.556 -0.038 0.000 0.311 237 H C -0.738 174.644 175.328 0.091 0.000 1.071 237 H CA -0.301 55.790 56.048 0.072 0.000 1.307 237 H CB 0.974 30.779 29.762 0.072 0.000 1.416 237 H HN -0.024 nan 8.280 nan 0.000 0.464 238 I N 4.636 124.965 120.570 -0.403 0.000 2.412 238 I HA 0.213 4.361 4.170 -0.038 0.000 0.296 238 I C 0.138 176.162 176.117 -0.155 0.000 0.987 238 I CA -0.698 60.506 61.300 -0.159 0.000 1.180 238 I CB 1.558 39.481 38.000 -0.128 0.000 1.340 238 I HN 0.543 nan 8.210 nan 0.000 0.455 239 E N 5.428 125.700 120.200 0.119 0.000 2.216 239 E HA 0.341 4.668 4.350 -0.038 0.000 0.260 239 E C -1.647 175.161 176.600 0.347 0.000 0.880 239 E CA -0.389 56.126 56.400 0.193 0.000 0.765 239 E CB 2.750 32.569 29.700 0.198 0.000 1.174 239 E HN 0.657 nan 8.360 nan 0.000 0.417 240 W N 3.659 125.039 121.300 0.133 0.000 3.326 240 W HA 0.158 4.795 4.660 -0.037 0.000 0.333 240 W C -0.451 176.173 176.519 0.176 0.000 1.108 240 W CA -0.442 57.007 57.345 0.174 0.000 1.245 240 W CB 0.927 30.496 29.460 0.182 0.000 1.331 240 W HN 0.315 nan 8.180 nan 0.000 0.464 241 E N 5.766 125.614 120.200 -0.586 0.000 2.183 241 E HA -0.322 4.006 4.350 -0.038 0.000 0.196 241 E C 0.556 176.854 176.600 -0.502 0.000 1.364 241 E CA 1.861 57.843 56.400 -0.697 0.000 0.700 241 E CB -1.071 27.804 29.700 -1.375 0.000 1.106 241 E HN 0.905 nan 8.360 nan 0.000 0.347 242 K N -3.782 116.362 120.400 -0.427 0.000 3.610 242 K HA -0.249 4.049 4.320 -0.038 0.000 0.283 242 K C 0.178 176.350 176.600 -0.714 0.000 1.210 242 K CA 1.766 57.644 56.287 -0.681 0.000 1.026 242 K CB -1.380 30.416 32.500 -1.174 0.000 1.295 242 K HN 0.283 nan 8.250 nan 0.000 0.468 243 W N 1.508 122.600 121.300 -0.346 0.000 2.237 243 W HA 0.425 5.063 4.660 -0.037 0.000 0.335 243 W C 0.635 177.139 176.519 -0.025 0.000 1.230 243 W CA -0.077 57.217 57.345 -0.085 0.000 1.253 243 W CB 1.486 31.055 29.460 0.180 0.000 1.129 243 W HN -0.030 nan 8.180 nan 0.000 0.590 244 S N 3.884 119.759 115.700 0.291 0.000 2.575 244 S HA 0.809 5.257 4.470 -0.038 0.000 0.278 244 S C -1.118 173.511 174.600 0.048 0.000 1.139 244 S CA -0.737 57.534 58.200 0.118 0.000 0.954 244 S CB 0.134 63.423 63.200 0.148 0.000 1.054 244 S HN 0.538 nan 8.310 nan 0.000 0.483 245 L N 1.196 122.315 121.223 -0.174 0.000 2.940 245 L HA 0.761 5.079 4.340 -0.038 0.000 0.270 245 L C -2.123 174.598 176.870 -0.248 0.000 1.030 245 L CA -1.036 53.706 54.840 -0.163 0.000 0.928 245 L CB 1.727 43.704 42.059 -0.136 0.000 1.506 245 L HN 0.391 nan 8.230 nan 0.000 0.405 246 D N 1.437 121.769 120.400 -0.114 0.000 2.502 246 D HA 0.474 5.091 4.640 -0.038 0.000 0.249 246 D C -0.827 175.485 176.300 0.020 0.000 1.092 246 D CA -0.247 53.754 54.000 0.001 0.000 0.839 246 D CB 3.200 44.044 40.800 0.074 0.000 1.264 246 D HN 0.369 nan 8.370 nan 0.000 0.511 247 V N 2.291 122.218 119.914 0.022 0.000 2.320 247 V HA 0.454 4.551 4.120 -0.038 0.000 0.265 247 V C 0.974 177.131 176.094 0.105 0.000 1.048 247 V CA -0.439 61.865 62.300 0.007 0.000 0.865 247 V CB 1.021 32.826 31.823 -0.031 0.000 1.043 247 V HN 0.583 nan 8.190 nan 0.000 0.474 248 G N 3.026 111.921 108.800 0.160 0.000 2.511 248 G HA2 0.672 4.610 3.960 -0.038 0.000 0.316 248 G HA3 0.672 4.610 3.960 -0.038 0.000 0.316 248 G C -1.430 173.568 174.900 0.162 0.000 1.210 248 G CA -0.446 44.784 45.100 0.218 0.000 0.969 248 G HN 0.495 nan 8.290 nan 0.000 0.492 249 F N 0.139 120.077 119.950 -0.021 0.000 2.607 249 F HA 0.452 4.956 4.527 -0.038 0.000 0.322 249 F C -1.279 174.476 175.800 -0.075 0.000 1.176 249 F CA -0.916 57.022 58.000 -0.104 0.000 0.977 249 F CB 2.331 41.253 39.000 -0.129 0.000 1.242 249 F HN 0.527 nan 8.300 nan 0.000 0.465 250 D N 3.683 123.734 120.400 -0.582 0.000 2.342 250 D HA 0.328 4.946 4.640 -0.038 0.000 0.243 250 D C 0.234 176.210 176.300 -0.540 0.000 1.019 250 D CA -0.536 53.261 54.000 -0.339 0.000 0.864 250 D CB 2.450 43.159 40.800 -0.151 0.000 1.315 250 D HN 0.357 nan 8.370 nan 0.000 0.468 251 V N 3.750 123.555 119.914 -0.182 0.000 2.515 251 V HA -0.080 4.018 4.120 -0.038 0.000 0.250 251 V C 2.134 178.193 176.094 -0.058 0.000 1.058 251 V CA 1.941 64.177 62.300 -0.107 0.000 1.064 251 V CB -0.376 31.428 31.823 -0.031 0.000 0.675 251 V HN 0.609 nan 8.190 nan 0.000 0.461 252 R N -0.266 120.267 120.500 0.055 0.000 2.052 252 R HA -0.082 4.235 4.340 -0.038 0.000 0.226 252 R C 2.244 178.504 176.300 -0.068 0.000 1.145 252 R CA 1.891 57.991 56.100 0.000 0.000 0.952 252 R CB -0.253 29.970 30.300 -0.129 0.000 0.847 252 R HN 0.582 nan 8.270 nan 0.000 0.431 253 E N -0.567 119.575 120.200 -0.098 0.000 2.216 253 E HA 0.101 4.428 4.350 -0.038 0.000 0.192 253 E C 0.815 177.259 176.600 -0.259 0.000 0.988 253 E CA 0.441 56.785 56.400 -0.094 0.000 0.834 253 E CB 0.329 30.017 29.700 -0.019 0.000 0.772 253 E HN 0.585 nan 8.360 nan 0.000 0.479 254 G N 0.642 109.048 108.800 -0.657 0.000 2.488 254 G HA2 -0.286 3.652 3.960 -0.038 0.000 0.237 254 G HA3 -0.286 3.652 3.960 -0.038 0.000 0.237 254 G C -0.155 174.060 174.900 -1.141 0.000 1.209 254 G CA -0.387 43.942 45.100 -1.286 0.000 0.929 254 G HN 0.104 nan 8.290 nan 0.000 0.578 255 V N 0.542 119.934 119.914 -0.870 0.000 2.599 255 V HA 0.403 4.500 4.120 -0.038 0.000 0.300 255 V C 0.776 176.795 176.094 -0.125 0.000 1.034 255 V CA 0.302 62.482 62.300 -0.199 0.000 1.115 255 V CB 0.958 32.876 31.823 0.158 0.000 0.934 255 V HN 0.924 nan 8.190 nan 0.000 0.485 256 V N 6.745 126.540 119.914 -0.198 0.000 2.588 256 V HA 0.453 4.550 4.120 -0.038 0.000 0.304 256 V C -0.239 175.563 176.094 -0.486 0.000 1.042 256 V CA -0.608 61.486 62.300 -0.343 0.000 0.877 256 V CB 1.965 33.598 31.823 -0.316 0.000 0.996 256 V HN 0.616 nan 8.190 nan 0.000 0.425 257 L N 5.249 126.061 121.223 -0.684 0.000 2.289 257 L HA 0.622 4.939 4.340 -0.038 0.000 0.285 257 L C -0.369 176.111 176.870 -0.650 0.000 1.049 257 L CA -0.532 53.936 54.840 -0.619 0.000 0.804 257 L CB 0.931 42.545 42.059 -0.742 0.000 1.195 257 L HN 0.611 nan 8.230 nan 0.000 0.428 258 H N 3.513 122.422 119.070 -0.268 0.000 2.569 258 H HA 0.279 4.813 4.556 -0.038 0.000 0.357 258 H C -0.203 174.920 175.328 -0.342 0.000 1.153 258 H CA -0.753 55.111 56.048 -0.307 0.000 1.193 258 H CB 1.893 31.428 29.762 -0.378 0.000 1.602 258 H HN 0.556 nan 8.280 nan 0.000 0.523 259 N N 1.284 119.850 118.700 -0.223 0.000 2.705 259 N HA -0.199 4.518 4.740 -0.038 0.000 0.255 259 N C -0.365 175.083 175.510 -0.104 0.000 1.008 259 N CA 0.484 53.412 53.050 -0.203 0.000 0.742 259 N CB -1.325 36.984 38.487 -0.296 0.000 0.906 259 N HN 0.537 nan 8.380 nan 0.000 0.541 260 I N 0.587 121.100 120.570 -0.094 0.000 2.505 260 I HA 0.240 4.387 4.170 -0.038 0.000 0.287 260 I C 0.979 177.157 176.117 0.102 0.000 1.104 260 I CA 0.252 61.563 61.300 0.018 0.000 1.387 260 I CB 0.513 38.500 38.000 -0.023 0.000 1.404 260 I HN 0.349 nan 8.210 nan 0.000 0.528 261 A N 6.885 129.832 122.820 0.213 0.000 2.556 261 A HA 0.772 5.069 4.320 -0.038 0.000 0.294 261 A C -1.567 176.160 177.584 0.237 0.000 1.091 261 A CA -0.442 51.703 52.037 0.180 0.000 0.704 261 A CB 1.449 20.507 19.000 0.097 0.000 1.300 261 A HN 0.507 nan 8.150 nan 0.000 0.406 262 F N 0.721 120.661 119.950 -0.016 0.000 2.518 262 F HA 0.584 5.088 4.527 -0.038 0.000 0.323 262 F C 0.453 176.257 175.800 0.007 0.000 1.129 262 F CA -0.444 57.473 58.000 -0.138 0.000 0.920 262 F CB 1.743 40.573 39.000 -0.283 0.000 1.160 262 F HN 0.622 nan 8.300 nan 0.000 0.440 263 R N 4.071 124.495 120.500 -0.127 0.000 2.325 263 R HA 0.095 4.412 4.340 -0.038 0.000 0.323 263 R C -0.996 175.395 176.300 0.152 0.000 1.177 263 R CA -0.138 55.962 56.100 -0.001 0.000 1.018 263 R CB -0.237 30.004 30.300 -0.098 0.000 1.070 263 R HN 0.528 nan 8.270 nan 0.000 0.495 264 D N 3.907 124.482 120.400 0.291 0.000 2.468 264 D HA 0.225 4.843 4.640 -0.038 0.000 0.218 264 D C 0.977 177.371 176.300 0.157 0.000 1.155 264 D CA 0.981 55.181 54.000 0.334 0.000 0.924 264 D CB 0.714 41.704 40.800 0.317 0.000 1.029 264 D HN 0.741 nan 8.370 nan 0.000 0.515 265 G N 4.979 113.850 108.800 0.118 0.000 2.601 265 G HA2 -0.397 3.541 3.960 -0.038 0.000 0.306 265 G HA3 -0.397 3.541 3.960 -0.038 0.000 0.306 265 G C 0.934 175.859 174.900 0.041 0.000 1.172 265 G CA 0.650 45.788 45.100 0.063 0.000 0.966 265 G HN 0.561 nan 8.290 nan 0.000 0.542 266 D N 1.492 121.911 120.400 0.033 0.000 2.149 266 D HA 0.027 4.644 4.640 -0.038 0.000 0.206 266 D C 1.409 177.724 176.300 0.023 0.000 0.967 266 D CA 0.592 54.605 54.000 0.021 0.000 0.848 266 D CB -0.018 40.789 40.800 0.013 0.000 0.998 266 D HN 0.584 nan 8.370 nan 0.000 0.474 267 R N 0.419 120.935 120.500 0.026 0.000 2.491 267 R HA 0.311 4.628 4.340 -0.038 0.000 0.283 267 R C -0.395 175.934 176.300 0.048 0.000 1.072 267 R CA -0.613 55.501 56.100 0.024 0.000 1.048 267 R CB 0.911 31.212 30.300 0.003 0.000 0.983 267 R HN 0.094 nan 8.270 nan 0.000 0.450 268 L N 4.138 125.386 121.223 0.042 0.000 2.259 268 L HA 0.268 4.586 4.340 -0.038 0.000 0.288 268 L C -0.557 176.350 176.870 0.063 0.000 1.051 268 L CA -0.050 54.825 54.840 0.059 0.000 0.824 268 L CB 0.545 42.632 42.059 0.046 0.000 1.206 268 L HN 0.474 nan 8.230 nan 0.000 0.429 269 R N 6.937 127.504 120.500 0.111 0.000 2.229 269 R HA 0.473 4.790 4.340 -0.038 0.000 0.328 269 R C -2.353 174.032 176.300 0.143 0.000 1.009 269 R CA -1.782 54.387 56.100 0.115 0.000 0.864 269 R CB 0.682 31.062 30.300 0.133 0.000 1.085 269 R HN 0.487 nan 8.270 nan 0.000 0.453 270 P HA 0.078 nan 4.420 nan 0.000 0.272 270 P C -0.150 177.136 177.300 -0.024 0.000 1.223 270 P CA 0.056 63.139 63.100 -0.029 0.000 0.784 270 P CB 1.220 32.825 31.700 -0.158 0.000 0.923 271 I N 0.799 121.298 120.570 -0.117 0.000 3.746 271 I HA 0.240 4.388 4.170 -0.038 0.000 0.262 271 I C 0.692 176.663 176.117 -0.244 0.000 1.153 271 I CA 0.247 61.384 61.300 -0.272 0.000 1.395 271 I CB 0.352 38.075 38.000 -0.463 0.000 1.589 271 I HN 0.136 nan 8.210 nan 0.000 0.441 272 I N 1.346 121.804 120.570 -0.187 0.000 2.499 272 I HA 0.173 4.321 4.170 -0.038 0.000 0.288 272 I C 0.650 176.672 176.117 -0.160 0.000 1.048 272 I CA -0.258 60.943 61.300 -0.166 0.000 1.062 272 I CB 2.075 39.985 38.000 -0.150 0.000 1.238 272 I HN 0.118 nan 8.210 nan 0.000 0.426 273 N N 5.369 123.989 118.700 -0.134 0.000 2.171 273 N HA 0.005 4.723 4.740 -0.038 0.000 0.184 273 N C 0.547 176.004 175.510 -0.089 0.000 1.021 273 N CA 1.014 54.016 53.050 -0.079 0.000 0.854 273 N CB 0.531 39.083 38.487 0.108 0.000 0.994 273 N HN 0.547 nan 8.380 nan 0.000 0.426 274 R N -0.120 120.303 120.500 -0.127 0.000 2.535 274 R HA 0.478 4.795 4.340 -0.038 0.000 0.274 274 R C -2.074 174.060 176.300 -0.277 0.000 1.090 274 R CA -0.513 55.456 56.100 -0.218 0.000 0.930 274 R CB 1.875 32.102 30.300 -0.122 0.000 1.223 274 R HN 0.054 nan 8.270 nan 0.000 0.441 275 A N 2.362 124.932 122.820 -0.416 0.000 2.343 275 A HA 0.710 5.007 4.320 -0.038 0.000 0.308 275 A C -1.020 176.291 177.584 -0.455 0.000 1.092 275 A CA -0.440 51.335 52.037 -0.437 0.000 0.751 275 A CB 1.486 20.053 19.000 -0.722 0.000 1.203 275 A HN 0.808 nan 8.150 nan 0.000 0.452 276 S N 1.454 117.073 115.700 -0.134 0.000 2.588 276 S HA 0.680 5.128 4.470 -0.038 0.000 0.269 276 S C -1.119 173.598 174.600 0.195 0.000 1.157 276 S CA -0.712 57.504 58.200 0.027 0.000 0.824 276 S CB 0.948 64.107 63.200 -0.069 0.000 1.126 276 S HN 0.520 nan 8.310 nan 0.000 0.464 277 I N 2.235 122.955 120.570 0.250 0.000 2.287 277 I HA 0.401 4.548 4.170 -0.038 0.000 0.290 277 I C 1.257 177.491 176.117 0.195 0.000 1.069 277 I CA -0.531 60.909 61.300 0.234 0.000 1.237 277 I CB 0.326 38.572 38.000 0.409 0.000 1.418 277 I HN 0.991 nan 8.210 nan 0.000 0.481 278 A N 5.189 128.094 122.820 0.141 0.000 2.238 278 A HA 0.176 4.473 4.320 -0.038 0.000 0.208 278 A C 0.662 178.313 177.584 0.113 0.000 1.177 278 A CA 0.678 52.818 52.037 0.170 0.000 0.804 278 A CB 0.047 19.161 19.000 0.189 0.000 0.823 278 A HN 0.666 nan 8.150 nan 0.000 0.482 279 E N -1.830 118.374 120.200 0.008 0.000 2.393 279 E HA 0.492 4.820 4.350 -0.038 0.000 0.282 279 E C -1.280 175.277 176.600 -0.071 0.000 1.096 279 E CA -0.299 56.045 56.400 -0.093 0.000 0.866 279 E CB 0.648 30.108 29.700 -0.399 0.000 1.232 279 E HN 0.242 nan 8.360 nan 0.000 0.431 280 M N 4.282 123.847 119.600 -0.059 0.000 2.221 280 M HA 0.478 4.935 4.480 -0.038 0.000 0.259 280 M C -1.995 174.170 176.300 -0.225 0.000 1.001 280 M CA -0.755 54.390 55.300 -0.258 0.000 1.009 280 M CB 1.427 33.810 32.600 -0.361 0.000 1.939 280 M HN 0.405 nan 8.290 nan 0.000 0.477 281 V N 5.741 125.496 119.914 -0.265 0.000 2.513 281 V HA 0.722 4.820 4.120 -0.038 0.000 0.299 281 V C -1.146 174.709 176.094 -0.398 0.000 1.035 281 V CA -0.270 61.783 62.300 -0.411 0.000 0.889 281 V CB 2.089 33.581 31.823 -0.552 0.000 0.988 281 V HN 0.689 nan 8.190 nan 0.000 0.440 282 V N 8.925 128.657 119.914 -0.303 0.000 2.276 282 V HA 0.396 4.493 4.120 -0.038 0.000 0.268 282 V C -2.395 173.602 176.094 -0.160 0.000 1.032 282 V CA -1.309 60.799 62.300 -0.319 0.000 0.810 282 V CB 1.254 32.874 31.823 -0.339 0.000 1.060 282 V HN 0.810 nan 8.190 nan 0.000 0.446 283 P HA 0.344 nan 4.420 nan 0.000 0.285 283 P C -1.330 175.848 177.300 -0.203 0.000 1.259 283 P CA -0.357 62.674 63.100 -0.114 0.000 0.794 283 P CB 1.158 32.772 31.700 -0.144 0.000 0.940 284 Y N 0.532 120.796 120.300 -0.060 0.000 2.342 284 Y HA 0.454 4.982 4.550 -0.036 0.000 0.334 284 Y C 1.735 177.624 175.900 -0.018 0.000 1.067 284 Y CA 0.244 58.325 58.100 -0.031 0.000 1.128 284 Y CB 1.364 39.757 38.460 -0.113 0.000 1.200 284 Y HN 0.482 nan 8.280 nan 0.000 0.464 285 G N 1.416 110.279 108.800 0.106 0.000 3.609 285 G HA2 -0.012 3.926 3.960 -0.038 0.000 0.280 285 G HA3 -0.012 3.926 3.960 -0.038 0.000 0.280 285 G C -0.593 174.364 174.900 0.095 0.000 1.155 285 G CA -0.185 44.976 45.100 0.100 0.000 0.876 285 G HN 0.514 nan 8.290 nan 0.000 0.535 286 D N 1.204 121.650 120.400 0.077 0.000 2.313 286 D HA 0.230 4.847 4.640 -0.038 0.000 0.239 286 D C -1.136 175.156 176.300 -0.012 0.000 1.142 286 D CA -2.387 51.620 54.000 0.011 0.000 0.847 286 D CB 2.255 43.062 40.800 0.011 0.000 1.082 286 D HN 0.047 nan 8.370 nan 0.000 0.480 287 P HA -0.037 nan 4.420 nan 0.000 0.242 287 P C 0.393 177.691 177.300 -0.004 0.000 1.197 287 P CA -0.020 63.080 63.100 -0.001 0.000 0.765 287 P CB 0.159 31.868 31.700 0.015 0.000 0.936 288 S N 2.422 118.112 115.700 -0.016 0.000 2.549 288 S HA 0.090 4.538 4.470 -0.038 0.000 0.286 288 S C -0.948 173.663 174.600 0.019 0.000 1.314 288 S CA -1.057 57.144 58.200 0.003 0.000 1.062 288 S CB 0.203 63.388 63.200 -0.026 0.000 0.865 288 S HN 0.025 nan 8.310 nan 0.000 0.498 289 P HA -0.089 nan 4.420 nan 0.000 0.225 289 P C 1.333 178.790 177.300 0.262 0.000 1.148 289 P CA 0.610 63.801 63.100 0.152 0.000 0.779 289 P CB -0.067 31.726 31.700 0.154 0.000 0.780 290 I N -0.206 120.473 120.570 0.181 0.000 2.493 290 I HA -0.090 4.058 4.170 -0.038 0.000 0.254 290 I C 2.115 178.372 176.117 0.233 0.000 1.160 290 I CA 1.292 62.743 61.300 0.250 0.000 1.445 290 I CB -1.038 37.013 38.000 0.085 0.000 1.086 290 I HN 0.040 nan 8.210 nan 0.000 0.433 291 R N -0.688 119.736 120.500 -0.126 0.000 2.539 291 R HA 0.098 4.416 4.340 -0.038 0.000 0.342 291 R C 1.831 177.680 176.300 -0.752 0.000 0.941 291 R CA 0.471 56.202 56.100 -0.614 0.000 1.146 291 R CB 0.325 30.427 30.300 -0.331 0.000 1.541 291 R HN 0.264 nan 8.270 nan 0.000 0.525 292 S N 0.644 116.095 115.700 -0.416 0.000 2.584 292 S HA -0.094 4.353 4.470 -0.038 0.000 0.240 292 S C 1.273 175.667 174.600 -0.344 0.000 0.975 292 S CA 0.289 58.327 58.200 -0.270 0.000 0.949 292 S CB -0.365 62.770 63.200 -0.110 0.000 0.761 292 S HN 0.600 nan 8.310 nan 0.000 0.536 293 W N 0.273 121.413 121.300 -0.266 0.000 3.103 293 W HA 0.398 5.032 4.660 -0.042 0.000 0.325 293 W C 0.431 176.970 176.519 0.034 0.000 1.170 293 W CA -0.677 56.422 57.345 -0.409 0.000 1.712 293 W CB -0.562 28.555 29.460 -0.571 0.000 1.068 293 W HN 0.266 nan 8.180 nan 0.000 0.592 294 Q N 3.004 122.339 119.800 -0.775 0.000 2.263 294 Q HA 0.088 4.405 4.340 -0.038 0.000 0.270 294 Q C -0.782 175.197 176.000 -0.034 0.000 1.104 294 Q CA 0.777 56.202 55.803 -0.631 0.000 0.909 294 Q CB 0.120 28.182 28.738 -1.127 0.000 1.214 294 Q HN 0.024 nan 8.270 nan 0.000 0.400 295 N N 4.750 123.524 118.700 0.123 0.000 2.599 295 N HA 0.112 4.829 4.740 -0.038 0.000 0.283 295 N C -1.872 173.797 175.510 0.266 0.000 1.160 295 N CA -0.403 52.776 53.050 0.215 0.000 0.869 295 N CB 0.939 39.584 38.487 0.263 0.000 1.448 295 N HN 0.418 nan 8.380 nan 0.000 0.535 296 Y N 0.954 121.321 120.300 0.112 0.000 2.336 296 Y HA 0.356 4.882 4.550 -0.039 0.000 0.335 296 Y C 0.235 176.198 175.900 0.104 0.000 1.046 296 Y CA -0.318 57.916 58.100 0.224 0.000 1.198 296 Y CB 0.471 38.931 38.460 0.001 0.000 1.182 296 Y HN 0.344 nan 8.280 nan 0.000 0.502 297 F N 2.871 123.075 119.950 0.423 0.000 2.318 297 F HA 0.243 4.747 4.527 -0.038 0.000 0.356 297 F C 0.749 176.767 175.800 0.363 0.000 1.109 297 F CA -1.046 57.115 58.000 0.269 0.000 1.234 297 F CB 0.342 39.451 39.000 0.182 0.000 1.545 297 F HN 0.544 nan 8.300 nan 0.000 0.534 298 D N -0.002 120.617 120.400 0.365 0.000 2.133 298 D HA -0.190 4.428 4.640 -0.038 0.000 0.195 298 D C 1.972 178.491 176.300 0.366 0.000 0.997 298 D CA 1.944 56.147 54.000 0.340 0.000 0.840 298 D CB 0.099 40.970 40.800 0.118 0.000 0.947 298 D HN 0.386 nan 8.370 nan 0.000 0.452 299 T N -0.876 113.826 114.554 0.247 0.000 2.735 299 T HA 0.009 4.337 4.350 -0.038 0.000 0.256 299 T C 2.082 176.842 174.700 0.101 0.000 1.042 299 T CA 1.172 63.368 62.100 0.161 0.000 1.147 299 T CB -0.698 68.228 68.868 0.097 0.000 0.865 299 T HN 0.275 nan 8.240 nan 0.000 0.421 300 G N 1.041 109.900 108.800 0.098 0.000 2.402 300 G HA2 -0.128 3.809 3.960 -0.038 0.000 0.216 300 G HA3 -0.128 3.809 3.960 -0.038 0.000 0.216 300 G C 1.448 176.359 174.900 0.019 0.000 1.162 300 G CA 0.603 45.682 45.100 -0.034 0.000 0.777 300 G HN 0.499 nan 8.290 nan 0.000 0.539 301 E N -1.109 119.195 120.200 0.174 0.000 2.201 301 E HA 0.102 4.429 4.350 -0.038 0.000 0.193 301 E C 1.919 178.561 176.600 0.071 0.000 0.957 301 E CA 0.300 56.741 56.400 0.069 0.000 0.858 301 E CB 0.057 29.786 29.700 0.047 0.000 0.816 301 E HN 0.594 nan 8.360 nan 0.000 0.475 302 Y N 0.229 120.722 120.300 0.323 0.000 2.503 302 Y HA 0.251 4.778 4.550 -0.039 0.000 0.277 302 Y C 0.065 176.227 175.900 0.437 0.000 1.102 302 Y CA -0.067 58.311 58.100 0.463 0.000 1.261 302 Y CB 0.520 39.267 38.460 0.477 0.000 1.096 302 Y HN -0.169 nan 8.280 nan 0.000 0.546 303 L N 0.824 122.290 121.223 0.405 0.000 2.648 303 L HA -0.194 4.123 4.340 -0.038 0.000 0.643 303 L C 1.003 178.034 176.870 0.267 0.000 1.007 303 L CA -0.033 54.946 54.840 0.232 0.000 1.346 303 L CB -1.375 40.772 42.059 0.147 0.000 1.929 303 L HN 0.179 nan 8.230 nan 0.000 0.915 304 V N -0.018 120.035 119.914 0.231 0.000 2.515 304 V HA -0.067 4.031 4.120 -0.038 0.000 0.250 304 V C 2.105 178.326 176.094 0.212 0.000 1.058 304 V CA 2.106 64.568 62.300 0.269 0.000 1.064 304 V CB -0.356 31.578 31.823 0.185 0.000 0.675 304 V HN 0.880 nan 8.190 nan 0.000 0.461 305 G N -0.674 108.122 108.800 -0.008 0.000 2.443 305 G HA2 -0.248 3.689 3.960 -0.038 0.000 0.219 305 G HA3 -0.248 3.689 3.960 -0.038 0.000 0.219 305 G C 1.542 176.533 174.900 0.152 0.000 1.131 305 G CA 0.798 45.854 45.100 -0.074 0.000 0.775 305 G HN 0.618 nan 8.290 nan 0.000 0.547 306 Q N -0.607 119.176 119.800 -0.028 0.000 2.135 306 Q HA -0.137 4.180 4.340 -0.038 0.000 0.204 306 Q C 1.203 177.052 176.000 -0.252 0.000 0.981 306 Q CA 1.136 56.803 55.803 -0.226 0.000 0.856 306 Q CB -0.154 28.258 28.738 -0.543 0.000 0.902 306 Q HN 0.618 nan 8.270 nan 0.000 0.425 307 Y N -0.243 120.204 120.300 0.245 0.000 2.532 307 Y HA 0.414 4.942 4.550 -0.036 0.000 0.283 307 Y C 0.409 176.468 175.900 0.265 0.000 1.181 307 Y CA -0.251 57.990 58.100 0.235 0.000 1.256 307 Y CB -0.250 38.345 38.460 0.226 0.000 1.112 307 Y HN 0.068 nan 8.280 nan 0.000 0.521 308 A N 1.035 124.092 122.820 0.395 0.000 2.540 308 A HA 0.107 4.404 4.320 -0.038 0.000 0.239 308 A C 0.255 178.022 177.584 0.305 0.000 1.061 308 A CA -0.363 51.935 52.037 0.435 0.000 0.758 308 A CB -0.068 19.202 19.000 0.450 0.000 0.991 308 A HN 0.336 nan 8.150 nan 0.000 0.502 309 N N 1.059 119.945 118.700 0.311 0.000 2.513 309 N HA 0.238 4.955 4.740 -0.038 0.000 0.274 309 N C -0.368 175.229 175.510 0.145 0.000 1.189 309 N CA -0.076 53.101 53.050 0.211 0.000 0.975 309 N CB 0.875 39.482 38.487 0.200 0.000 1.157 309 N HN 0.484 nan 8.380 nan 0.000 0.465 310 S N 1.219 116.966 115.700 0.079 0.000 2.400 310 S HA 0.276 4.723 4.470 -0.038 0.000 0.295 310 S C 0.472 175.078 174.600 0.010 0.000 1.113 310 S CA -0.589 57.620 58.200 0.016 0.000 1.064 310 S CB -0.285 62.906 63.200 -0.016 0.000 0.990 310 S HN 0.241 nan 8.310 nan 0.000 0.502 311 L N 3.242 124.485 121.223 0.034 0.000 2.461 311 L HA 0.272 4.589 4.340 -0.038 0.000 0.272 311 L C 0.681 177.543 176.870 -0.013 0.000 1.197 311 L CA -0.247 54.635 54.840 0.070 0.000 0.836 311 L CB 0.318 42.515 42.059 0.230 0.000 1.105 311 L HN 0.394 nan 8.230 nan 0.000 0.477 312 E N 2.266 122.481 120.200 0.026 0.000 2.179 312 E HA 0.323 4.650 4.350 -0.038 0.000 0.275 312 E C -0.743 175.910 176.600 0.088 0.000 0.945 312 E CA -1.025 55.381 56.400 0.009 0.000 0.792 312 E CB 2.204 31.904 29.700 -0.001 0.000 1.125 312 E HN 0.248 nan 8.360 nan 0.000 0.397 313 L N 1.652 122.936 121.223 0.102 0.000 2.453 313 L HA 0.272 4.589 4.340 -0.038 0.000 0.272 313 L C 1.355 178.273 176.870 0.080 0.000 1.182 313 L CA 1.663 56.600 54.840 0.161 0.000 0.858 313 L CB 0.341 42.502 42.059 0.170 0.000 1.120 313 L HN 0.815 nan 8.230 nan 0.000 0.474 314 G N 2.061 110.899 108.800 0.064 0.000 2.234 314 G HA2 -0.337 3.600 3.960 -0.038 0.000 0.260 314 G HA3 -0.337 3.600 3.960 -0.038 0.000 0.260 314 G C 0.857 175.773 174.900 0.027 0.000 0.987 314 G CA 0.502 45.625 45.100 0.038 0.000 0.625 314 G HN 0.760 nan 8.290 nan 0.000 0.532 315 C N -0.715 118.603 119.300 0.029 0.000 2.370 315 C HA 0.311 4.748 4.460 -0.038 0.000 0.348 315 C C 2.183 177.177 174.990 0.006 0.000 1.477 315 C CA 1.231 60.255 59.018 0.010 0.000 2.302 315 C CB -0.312 27.427 27.740 -0.000 0.000 2.220 315 C HN 0.513 nan 8.230 nan 0.000 0.625 316 D N -0.234 120.180 120.400 0.022 0.000 2.216 316 D HA 0.066 4.683 4.640 -0.038 0.000 0.208 316 D C 0.100 176.435 176.300 0.058 0.000 0.960 316 D CA 1.035 55.051 54.000 0.027 0.000 0.861 316 D CB 0.234 41.057 40.800 0.039 0.000 0.985 316 D HN 0.391 nan 8.370 nan 0.000 0.493 317 c N 1.947 120.571 118.600 0.040 0.000 2.407 317 c HA 0.452 5.000 4.570 -0.038 0.000 0.328 317 c C -0.310 173.732 174.090 -0.079 0.000 1.137 317 c CA -1.145 55.139 56.329 -0.075 0.000 1.390 317 c CB 0.616 43.027 42.510 -0.166 0.000 1.989 317 c HN 0.167 nan 8.230 nan 0.000 0.432 318 L N 4.261 125.445 121.223 -0.066 0.000 2.325 318 L HA 0.943 5.261 4.340 -0.038 0.000 0.279 318 L C 0.559 177.425 176.870 -0.007 0.000 1.054 318 L CA 1.857 56.690 54.840 -0.011 0.000 0.804 318 L CB 0.782 42.859 42.059 0.029 0.000 1.200 318 L HN 1.077 nan 8.230 nan 0.000 0.436 319 G N 3.442 112.255 108.800 0.022 0.000 2.378 319 G HA2 -0.150 3.787 3.960 -0.038 0.000 0.198 319 G HA3 -0.150 3.787 3.960 -0.038 0.000 0.198 319 G C -1.067 173.858 174.900 0.042 0.000 1.223 319 G CA -0.160 44.974 45.100 0.057 0.000 1.088 319 G HN 0.771 nan 8.290 nan 0.000 0.530 320 D N 1.490 121.936 120.400 0.076 0.000 2.441 320 D HA 0.433 5.051 4.640 -0.038 0.000 0.221 320 D C 0.288 176.634 176.300 0.077 0.000 1.156 320 D CA -0.250 53.791 54.000 0.068 0.000 0.896 320 D CB 0.054 40.898 40.800 0.073 0.000 1.028 320 D HN 0.371 nan 8.370 nan 0.000 0.509 321 I N 2.352 122.911 120.570 -0.019 0.000 2.437 321 I HA 0.227 4.375 4.170 -0.038 0.000 0.298 321 I C 0.684 176.726 176.117 -0.126 0.000 0.984 321 I CA -0.489 60.713 61.300 -0.163 0.000 1.214 321 I CB 1.521 39.230 38.000 -0.485 0.000 1.365 321 I HN 0.118 nan 8.210 nan 0.000 0.469 322 T N 6.175 120.686 114.554 -0.072 0.000 2.791 322 T HA 0.491 4.818 4.350 -0.038 0.000 0.288 322 T C -0.545 174.099 174.700 -0.093 0.000 0.999 322 T CA -0.288 61.842 62.100 0.049 0.000 0.952 322 T CB 0.366 69.431 68.868 0.329 0.000 0.938 322 T HN 0.164 nan 8.240 nan 0.000 0.444 323 Y N 2.128 122.473 120.300 0.075 0.000 2.376 323 Y HA 0.635 5.162 4.550 -0.038 0.000 0.325 323 Y C 0.309 176.224 175.900 0.024 0.000 1.199 323 Y CA -1.198 56.924 58.100 0.037 0.000 1.206 323 Y CB 0.970 39.441 38.460 0.019 0.000 1.229 323 Y HN 0.360 nan 8.280 nan 0.000 0.480 324 L N 1.382 122.715 121.223 0.184 0.000 2.365 324 L HA 0.488 4.806 4.340 -0.038 0.000 0.273 324 L C -0.625 176.254 176.870 0.016 0.000 1.000 324 L CA -0.639 54.245 54.840 0.073 0.000 0.819 324 L CB 1.969 44.044 42.059 0.027 0.000 1.284 324 L HN 0.542 nan 8.230 nan 0.000 0.418 325 S N 3.534 119.217 115.700 -0.029 0.000 2.426 325 S HA 0.331 4.778 4.470 -0.038 0.000 0.236 325 S C -2.301 172.217 174.600 -0.136 0.000 1.368 325 S CA -1.045 57.101 58.200 -0.090 0.000 1.154 325 S CB 0.691 63.857 63.200 -0.057 0.000 1.037 325 S HN 0.393 nan 8.310 nan 0.000 0.481 326 P HA 0.244 nan 4.420 nan 0.000 0.272 326 P C -0.730 176.460 177.300 -0.184 0.000 1.230 326 P CA -0.303 62.625 63.100 -0.286 0.000 0.788 326 P CB 0.766 32.024 31.700 -0.736 0.000 0.949 327 V N 3.175 123.052 119.914 -0.061 0.000 2.555 327 V HA 0.486 4.584 4.120 -0.038 0.000 0.302 327 V C 0.650 176.771 176.094 0.045 0.000 1.038 327 V CA -0.611 61.683 62.300 -0.011 0.000 0.887 327 V CB 1.342 33.172 31.823 0.011 0.000 0.991 327 V HN 0.507 nan 8.190 nan 0.000 0.434 328 I N 0.628 121.221 120.570 0.039 0.000 3.206 328 I HA 0.813 4.960 4.170 -0.038 0.000 0.313 328 I C -0.212 175.913 176.117 0.014 0.000 1.103 328 I CA -0.658 60.672 61.300 0.051 0.000 0.985 328 I CB 2.308 40.352 38.000 0.074 0.000 1.240 328 I HN 0.513 nan 8.210 nan 0.000 0.464 329 S N 0.921 116.612 115.700 -0.015 0.000 2.578 329 S HA 0.410 4.858 4.470 -0.038 0.000 0.283 329 S C -0.613 173.976 174.600 -0.018 0.000 1.195 329 S CA -0.554 57.630 58.200 -0.026 0.000 1.050 329 S CB 0.800 63.963 63.200 -0.061 0.000 1.012 329 S HN 0.810 nan 8.310 nan 0.000 0.511 330 D N 2.567 122.973 120.400 0.009 0.000 2.478 330 D HA 0.441 5.058 4.640 -0.038 0.000 0.274 330 D C 1.247 177.521 176.300 -0.043 0.000 1.234 330 D CA -0.126 53.887 54.000 0.022 0.000 1.069 330 D CB -0.095 40.763 40.800 0.096 0.000 1.113 330 D HN 0.464 nan 8.370 nan 0.000 0.571 331 A N -1.195 121.551 122.820 -0.125 0.000 2.070 331 A HA -0.028 4.269 4.320 -0.038 0.000 0.220 331 A C 1.476 178.694 177.584 -0.610 0.000 1.159 331 A CA 0.813 52.612 52.037 -0.396 0.000 0.656 331 A CB -0.894 17.756 19.000 -0.584 0.000 0.800 331 A HN 0.466 nan 8.150 nan 0.000 0.453 332 F N -1.543 118.419 119.950 0.019 0.000 2.653 332 F HA 0.411 4.915 4.527 -0.038 0.000 0.304 332 F C 1.690 177.485 175.800 -0.008 0.000 1.092 332 F CA 0.327 58.332 58.000 0.008 0.000 1.279 332 F CB 0.329 39.334 39.000 0.009 0.000 1.044 332 F HN 0.295 nan 8.300 nan 0.000 0.564 333 G N 0.628 109.473 108.800 0.074 0.000 2.157 333 G HA2 -0.291 3.646 3.960 -0.038 0.000 0.239 333 G HA3 -0.291 3.646 3.960 -0.038 0.000 0.239 333 G C -0.127 174.787 174.900 0.023 0.000 0.982 333 G CA -0.312 44.802 45.100 0.024 0.000 0.650 333 G HN 0.427 nan 8.290 nan 0.000 0.527 334 N N 2.344 121.082 118.700 0.063 0.000 2.499 334 N HA 0.525 5.242 4.740 -0.038 0.000 0.281 334 N C -2.309 173.214 175.510 0.022 0.000 1.098 334 N CA -1.202 51.873 53.050 0.041 0.000 0.979 334 N CB 1.651 40.178 38.487 0.066 0.000 1.121 334 N HN 0.149 nan 8.380 nan 0.000 0.466 335 P HA 0.115 nan 4.420 nan 0.000 0.276 335 P C -1.291 176.016 177.300 0.011 0.000 1.230 335 P CA -0.227 62.873 63.100 0.001 0.000 0.776 335 P CB 0.726 32.421 31.700 -0.009 0.000 0.888 336 R N 1.338 121.846 120.500 0.013 0.000 2.502 336 R HA 0.459 4.777 4.340 -0.038 0.000 0.300 336 R C -0.553 175.747 176.300 -0.000 0.000 0.984 336 R CA -0.848 55.261 56.100 0.014 0.000 0.882 336 R CB 1.707 32.025 30.300 0.029 0.000 1.180 336 R HN 0.357 nan 8.270 nan 0.000 0.444 337 E N 4.351 124.545 120.200 -0.010 0.000 2.331 337 E HA 0.167 4.495 4.350 -0.038 0.000 0.272 337 E C -0.689 175.885 176.600 -0.043 0.000 1.036 337 E CA -0.662 55.718 56.400 -0.033 0.000 0.864 337 E CB 0.935 30.616 29.700 -0.031 0.000 1.035 337 E HN 0.653 nan 8.360 nan 0.000 0.408 338 I N 5.407 125.925 120.570 -0.088 0.000 2.361 338 I HA 0.202 4.350 4.170 -0.038 0.000 0.282 338 I C 0.588 176.643 176.117 -0.103 0.000 1.075 338 I CA -0.477 60.769 61.300 -0.090 0.000 1.205 338 I CB 0.542 38.451 38.000 -0.152 0.000 1.406 338 I HN 0.366 nan 8.210 nan 0.000 0.481 339 R N 6.264 126.719 120.500 -0.075 0.000 2.502 339 R HA -0.030 4.288 4.340 -0.038 0.000 0.292 339 R C 0.102 176.324 176.300 -0.131 0.000 0.998 339 R CA 0.332 56.376 56.100 -0.094 0.000 1.056 339 R CB 0.255 30.504 30.300 -0.084 0.000 0.939 339 R HN 0.634 nan 8.270 nan 0.000 0.411 340 N N 2.400 121.002 118.700 -0.164 0.000 2.727 340 N HA -0.172 4.545 4.740 -0.038 0.000 0.249 340 N C 0.513 176.008 175.510 -0.026 0.000 1.048 340 N CA 1.204 54.108 53.050 -0.243 0.000 0.714 340 N CB -1.253 36.805 38.487 -0.715 0.000 0.959 340 N HN 0.880 nan 8.380 nan 0.000 0.544 341 G N -1.074 107.716 108.800 -0.018 0.000 2.920 341 G HA2 0.326 4.263 3.960 -0.038 0.000 0.208 341 G HA3 0.326 4.263 3.960 -0.038 0.000 0.208 341 G C 0.454 175.411 174.900 0.094 0.000 1.159 341 G CA 0.174 45.277 45.100 0.006 0.000 0.784 341 G HN 0.442 nan 8.290 nan 0.000 0.535 342 I N 0.123 120.780 120.570 0.145 0.000 2.534 342 I HA 0.278 4.425 4.170 -0.038 0.000 0.288 342 I C -0.872 175.353 176.117 0.180 0.000 1.077 342 I CA -0.890 60.508 61.300 0.162 0.000 1.051 342 I CB 2.502 40.540 38.000 0.063 0.000 1.234 342 I HN -0.218 nan 8.210 nan 0.000 0.425 343 c N 6.664 125.319 118.600 0.092 0.000 2.341 343 c HA 0.702 5.249 4.570 -0.038 0.000 0.338 343 c C 0.055 174.104 174.090 -0.067 0.000 1.257 343 c CA -0.484 55.781 56.329 -0.107 0.000 1.883 343 c CB 0.694 43.143 42.510 -0.102 0.000 2.334 343 c HN 0.657 nan 8.230 nan 0.000 0.524 344 M N 5.572 125.089 119.600 -0.138 0.000 2.263 344 M HA 0.484 4.942 4.480 -0.038 0.000 0.295 344 M C -0.755 175.491 176.300 -0.091 0.000 1.028 344 M CA -0.085 55.103 55.300 -0.186 0.000 0.921 344 M CB 1.750 34.175 32.600 -0.291 0.000 1.601 344 M HN 0.969 nan 8.290 nan 0.000 0.440 345 H N 0.990 119.814 119.070 -0.409 0.000 2.987 345 H HA 0.446 4.979 4.556 -0.038 0.000 0.316 345 H C -2.074 173.111 175.328 -0.238 0.000 1.380 345 H CA -1.204 54.761 56.048 -0.139 0.000 1.160 345 H CB 0.793 30.546 29.762 -0.016 0.000 1.865 345 H HN 0.709 nan 8.280 nan 0.000 0.521 346 E N 1.158 121.312 120.200 -0.075 0.000 2.195 346 E HA 0.522 4.850 4.350 -0.038 0.000 0.271 346 E C -0.848 175.697 176.600 -0.092 0.000 0.923 346 E CA -0.958 55.299 56.400 -0.238 0.000 0.790 346 E CB 2.575 32.308 29.700 0.055 0.000 1.155 346 E HN 0.702 nan 8.360 nan 0.000 0.402 347 E N 2.121 122.239 120.200 -0.137 0.000 2.343 347 E HA 0.267 4.594 4.350 -0.038 0.000 0.270 347 E C -1.264 175.421 176.600 0.142 0.000 0.895 347 E CA -1.064 55.351 56.400 0.024 0.000 0.767 347 E CB 1.583 31.285 29.700 0.003 0.000 1.248 347 E HN 0.539 nan 8.360 nan 0.000 0.440 348 D N 1.359 121.867 120.400 0.179 0.000 2.443 348 D HA -0.090 4.527 4.640 -0.038 0.000 0.239 348 D C -0.902 175.601 176.300 0.338 0.000 1.136 348 D CA 0.223 54.349 54.000 0.209 0.000 0.879 348 D CB 0.514 41.390 40.800 0.127 0.000 1.195 348 D HN 0.518 nan 8.370 nan 0.000 0.443 349 W N 5.735 127.069 121.300 0.056 0.000 1.433 349 W HA 0.354 4.991 4.660 -0.038 0.000 0.307 349 W C 0.401 176.944 176.519 0.040 0.000 0.846 349 W CA 0.054 57.432 57.345 0.055 0.000 2.535 349 W CB 0.090 29.634 29.460 0.141 0.000 1.570 349 W HN 0.848 nan 8.180 nan 0.000 0.544 350 G N 1.982 110.723 108.800 -0.099 0.000 2.566 350 G HA2 -0.338 3.599 3.960 -0.038 0.000 0.280 350 G HA3 -0.338 3.599 3.960 -0.038 0.000 0.280 350 G C -0.358 174.513 174.900 -0.048 0.000 1.225 350 G CA 0.093 45.106 45.100 -0.144 0.000 0.966 350 G HN 0.055 nan 8.290 nan 0.000 0.560 351 I N 1.504 122.032 120.570 -0.069 0.000 2.441 351 I HA 0.266 4.413 4.170 -0.038 0.000 0.287 351 I C 1.538 177.666 176.117 0.018 0.000 1.049 351 I CA -0.172 61.113 61.300 -0.026 0.000 1.381 351 I CB 0.861 38.838 38.000 -0.038 0.000 1.409 351 I HN 0.629 nan 8.210 nan 0.000 0.523 352 L N 6.495 127.746 121.223 0.046 0.000 2.200 352 L HA 0.470 4.787 4.340 -0.038 0.000 0.200 352 L C 0.631 177.543 176.870 0.070 0.000 1.072 352 L CA 1.076 55.965 54.840 0.081 0.000 0.787 352 L CB 0.092 42.209 42.059 0.096 0.000 0.957 352 L HN 0.701 nan 8.230 nan 0.000 0.459 353 A N -0.511 122.352 122.820 0.071 0.000 2.589 353 A HA 0.657 4.954 4.320 -0.038 0.000 0.296 353 A C -1.106 176.563 177.584 0.142 0.000 1.062 353 A CA -0.618 51.497 52.037 0.128 0.000 0.686 353 A CB 1.128 20.262 19.000 0.223 0.000 1.282 353 A HN 0.054 nan 8.150 nan 0.000 0.404 354 K N 0.855 121.360 120.400 0.175 0.000 2.543 354 K HA 0.580 4.877 4.320 -0.038 0.000 0.255 354 K C -2.182 174.561 176.600 0.238 0.000 0.934 354 K CA -0.523 55.873 56.287 0.181 0.000 0.810 354 K CB 1.827 34.367 32.500 0.068 0.000 1.315 354 K HN 1.063 nan 8.250 nan 0.000 0.433 355 H N 0.261 119.411 119.070 0.132 0.000 3.137 355 H HA 0.349 4.883 4.556 -0.038 0.000 0.336 355 H C -1.912 173.443 175.328 0.045 0.000 1.055 355 H CA -0.306 55.773 56.048 0.052 0.000 1.349 355 H CB 1.816 31.584 29.762 0.010 0.000 1.939 355 H HN 0.399 nan 8.280 nan 0.000 0.487 356 S N 4.159 119.517 115.700 -0.570 0.000 2.520 356 S HA 0.161 4.608 4.470 -0.038 0.000 0.324 356 S C -0.791 173.365 174.600 -0.739 0.000 1.069 356 S CA -0.627 57.313 58.200 -0.433 0.000 1.121 356 S CB 0.410 63.469 63.200 -0.235 0.000 0.971 356 S HN 0.655 nan 8.310 nan 0.000 0.463 357 D N 2.271 122.346 120.400 -0.543 0.000 2.274 357 D HA 0.290 4.908 4.640 -0.038 0.000 0.239 357 D C 0.970 177.171 176.300 -0.166 0.000 1.104 357 D CA -0.570 53.230 54.000 -0.333 0.000 0.840 357 D CB 0.882 41.696 40.800 0.023 0.000 1.100 357 D HN 0.262 nan 8.370 nan 0.000 0.477 358 L N 5.515 126.603 121.223 -0.224 0.000 1.994 358 L HA -0.039 4.278 4.340 -0.038 0.000 0.208 358 L C 1.448 178.345 176.870 0.044 0.000 1.071 358 L CA 1.597 56.353 54.840 -0.139 0.000 0.745 358 L CB -0.418 41.495 42.059 -0.245 0.000 0.892 358 L HN 0.600 nan 8.230 nan 0.000 0.431 359 W N -0.090 121.218 121.300 0.014 0.000 2.358 359 W HA -0.137 4.501 4.660 -0.037 0.000 0.303 359 W C 2.958 179.484 176.519 0.011 0.000 1.208 359 W CA 1.582 58.935 57.345 0.014 0.000 1.274 359 W CB -1.855 27.618 29.460 0.021 0.000 1.138 359 W HN 0.539 nan 8.180 nan 0.000 0.515 360 S N -1.088 114.751 115.700 0.231 0.000 2.501 360 S HA 0.305 4.752 4.470 -0.038 0.000 0.220 360 S C 1.759 176.409 174.600 0.083 0.000 0.997 360 S CA 0.761 59.043 58.200 0.137 0.000 0.919 360 S CB -0.114 63.157 63.200 0.118 0.000 0.778 360 S HN 0.450 nan 8.310 nan 0.000 0.523 361 G N 1.151 109.989 108.800 0.062 0.000 2.168 361 G HA2 -0.250 3.687 3.960 -0.038 0.000 0.263 361 G HA3 -0.250 3.687 3.960 -0.038 0.000 0.263 361 G C -0.017 174.893 174.900 0.018 0.000 0.977 361 G CA 0.403 45.521 45.100 0.029 0.000 0.659 361 G HN 0.605 nan 8.290 nan 0.000 0.533 362 I N 1.276 121.861 120.570 0.025 0.000 2.325 362 I HA 0.270 4.418 4.170 -0.038 0.000 0.291 362 I C -0.468 175.662 176.117 0.022 0.000 1.019 362 I CA -0.804 60.519 61.300 0.038 0.000 1.302 362 I CB 1.013 39.049 38.000 0.059 0.000 1.401 362 I HN -0.042 nan 8.210 nan 0.000 0.485 363 N N 6.685 125.405 118.700 0.034 0.000 2.444 363 N HA 0.262 4.979 4.740 -0.038 0.000 0.262 363 N C -1.275 174.306 175.510 0.119 0.000 0.974 363 N CA -0.403 52.663 53.050 0.027 0.000 0.933 363 N CB 1.501 39.983 38.487 -0.009 0.000 1.137 363 N HN 0.445 nan 8.380 nan 0.000 0.498 364 Y N 1.297 121.589 120.300 -0.013 0.000 2.350 364 Y HA 0.492 5.019 4.550 -0.038 0.000 0.338 364 Y C -0.884 175.023 175.900 0.012 0.000 0.961 364 Y CA -0.321 57.786 58.100 0.012 0.000 1.100 364 Y CB 1.471 39.954 38.460 0.039 0.000 1.179 364 Y HN 0.308 nan 8.280 nan 0.000 0.454 365 T N 6.904 121.268 114.554 -0.318 0.000 2.971 365 T HA 0.578 4.905 4.350 -0.038 0.000 0.304 365 T C -1.225 173.223 174.700 -0.419 0.000 1.038 365 T CA -1.010 60.932 62.100 -0.264 0.000 1.007 365 T CB 1.187 69.984 68.868 -0.118 0.000 1.055 365 T HN 0.421 nan 8.240 nan 0.000 0.451 366 R N 1.854 122.167 120.500 -0.312 0.000 2.744 366 R HA 0.566 4.884 4.340 -0.038 0.000 0.279 366 R C -0.599 175.656 176.300 -0.074 0.000 0.977 366 R CA -1.012 54.955 56.100 -0.223 0.000 0.906 366 R CB 1.751 31.918 30.300 -0.222 0.000 1.197 366 R HN 0.436 nan 8.270 nan 0.000 0.463 367 R N 1.237 121.718 120.500 -0.031 0.000 2.500 367 R HA 0.333 4.651 4.340 -0.038 0.000 0.275 367 R C 0.190 176.546 176.300 0.093 0.000 1.051 367 R CA -0.469 55.647 56.100 0.027 0.000 1.088 367 R CB 0.873 31.195 30.300 0.036 0.000 1.063 367 R HN 0.649 nan 8.270 nan 0.000 0.511 368 N N 0.438 119.231 118.700 0.155 0.000 2.485 368 N HA 0.421 5.138 4.740 -0.038 0.000 0.280 368 N C -0.835 174.880 175.510 0.343 0.000 1.205 368 N CA -0.545 52.668 53.050 0.271 0.000 0.959 368 N CB 1.277 39.976 38.487 0.353 0.000 1.206 368 N HN 0.253 nan 8.380 nan 0.000 0.545 369 R N 0.222 120.982 120.500 0.432 0.000 2.680 369 R HA 0.372 4.690 4.340 -0.038 0.000 0.269 369 R C -1.342 175.206 176.300 0.412 0.000 1.026 369 R CA -0.843 55.520 56.100 0.438 0.000 0.889 369 R CB 2.124 32.744 30.300 0.532 0.000 1.241 369 R HN 0.646 nan 8.270 nan 0.000 0.463 370 R N 1.750 122.262 120.500 0.021 0.000 2.673 370 R HA 0.490 4.807 4.340 -0.038 0.000 0.281 370 R C -1.249 174.544 176.300 -0.846 0.000 0.991 370 R CA -0.989 54.794 56.100 -0.529 0.000 0.896 370 R CB 1.817 31.432 30.300 -1.141 0.000 1.201 370 R HN 0.432 nan 8.270 nan 0.000 0.457 371 M N 3.104 121.908 119.600 -1.326 0.000 2.188 371 M HA 0.293 4.751 4.480 -0.038 0.000 0.357 371 M C -1.491 174.327 176.300 -0.804 0.000 1.204 371 M CA -0.584 53.872 55.300 -1.406 0.000 1.095 371 M CB 1.523 33.137 32.600 -1.643 0.000 1.604 371 M HN 0.505 nan 8.290 nan 0.000 0.464 372 V N 7.054 126.561 119.914 -0.678 0.000 2.459 372 V HA 0.578 4.675 4.120 -0.038 0.000 0.295 372 V C -0.429 175.506 176.094 -0.264 0.000 1.029 372 V CA -0.590 61.487 62.300 -0.371 0.000 0.874 372 V CB 1.573 33.175 31.823 -0.370 0.000 0.985 372 V HN 0.791 nan 8.190 nan 0.000 0.438 373 I N 4.491 124.972 120.570 -0.149 0.000 2.468 373 I HA 0.578 4.726 4.170 -0.038 0.000 0.284 373 I C -0.168 175.972 176.117 0.039 0.000 1.038 373 I CA 0.032 61.293 61.300 -0.065 0.000 1.083 373 I CB 1.918 39.862 38.000 -0.093 0.000 1.223 373 I HN 0.800 nan 8.210 nan 0.000 0.443 374 S N 5.644 121.366 115.700 0.036 0.000 2.651 374 S HA 0.882 5.330 4.470 -0.038 0.000 0.279 374 S C -0.905 173.779 174.600 0.139 0.000 1.148 374 S CA -0.717 57.445 58.200 -0.063 0.000 0.837 374 S CB 2.670 65.535 63.200 -0.558 0.000 1.138 374 S HN 0.517 nan 8.310 nan 0.000 0.478 375 F N -1.199 118.693 119.950 -0.097 0.000 2.668 375 F HA 0.876 5.380 4.527 -0.038 0.000 0.309 375 F C -2.190 173.657 175.800 0.078 0.000 1.117 375 F CA -1.606 56.430 58.000 0.061 0.000 0.951 375 F CB 0.878 39.968 39.000 0.150 0.000 1.323 375 F HN 0.612 nan 8.300 nan 0.000 0.451 376 F N 0.996 120.958 119.950 0.021 0.000 2.532 376 F HA 0.712 5.216 4.527 -0.038 0.000 0.321 376 F C -0.091 175.794 175.800 0.142 0.000 1.089 376 F CA -0.382 57.602 58.000 -0.027 0.000 0.926 376 F CB 2.339 41.371 39.000 0.053 0.000 1.168 376 F HN 0.868 nan 8.300 nan 0.000 0.459 377 T N 1.864 116.566 114.554 0.247 0.000 2.906 377 T HA 0.640 4.967 4.350 -0.038 0.000 0.295 377 T C -1.228 173.673 174.700 0.336 0.000 1.075 377 T CA -0.355 61.963 62.100 0.365 0.000 1.005 377 T CB 1.416 70.508 68.868 0.374 0.000 1.136 377 T HN 0.560 nan 8.240 nan 0.000 0.498 378 T N 4.185 118.914 114.554 0.292 0.000 2.840 378 T HA 0.527 4.854 4.350 -0.038 0.000 0.287 378 T C -0.648 174.069 174.700 0.030 0.000 0.991 378 T CA -0.576 61.604 62.100 0.133 0.000 0.964 378 T CB 0.584 69.515 68.868 0.106 0.000 0.954 378 T HN 0.420 nan 8.240 nan 0.000 0.438 379 I N 3.900 124.434 120.570 -0.061 0.000 2.557 379 I HA 0.377 4.524 4.170 -0.038 0.000 0.277 379 I C 1.351 177.334 176.117 -0.225 0.000 1.106 379 I CA 0.054 61.245 61.300 -0.183 0.000 1.180 379 I CB -0.454 37.478 38.000 -0.113 0.000 1.392 379 I HN 0.981 nan 8.210 nan 0.000 0.506 380 G N 6.652 115.338 108.800 -0.189 0.000 2.675 380 G HA2 -0.325 3.612 3.960 -0.038 0.000 0.312 380 G HA3 -0.325 3.612 3.960 -0.038 0.000 0.312 380 G C 0.504 175.318 174.900 -0.143 0.000 1.186 380 G CA 0.523 45.591 45.100 -0.053 0.000 0.965 380 G HN 0.632 nan 8.290 nan 0.000 0.548 384 Y N 0.269 120.577 120.300 0.013 0.000 2.391 384 Y HA 0.692 5.219 4.550 -0.037 0.000 0.341 384 Y C 0.767 176.086 175.900 -0.968 0.000 0.965 384 Y CA -1.116 56.819 58.100 -0.274 0.000 1.067 384 Y CB 2.465 40.973 38.460 0.079 0.000 1.199 384 Y HN 0.449 nan 8.280 nan 0.000 0.450 385 G N 2.489 110.582 108.800 -1.177 0.000 2.343 385 G HA2 0.569 4.506 3.960 -0.038 0.000 0.319 385 G HA3 0.569 4.506 3.960 -0.038 0.000 0.319 385 G C -1.624 173.022 174.900 -0.423 0.000 1.126 385 G CA -0.359 43.994 45.100 -1.245 0.000 0.889 385 G HN 0.315 nan 8.290 nan 0.000 0.457 386 F N 1.579 121.037 119.950 -0.820 0.000 2.402 386 F HA 0.488 4.992 4.527 -0.038 0.000 0.355 386 F C -0.705 174.753 175.800 -0.570 0.000 1.123 386 F CA -1.130 56.605 58.000 -0.442 0.000 1.021 386 F CB 1.723 40.582 39.000 -0.235 0.000 1.160 386 F HN 0.310 nan 8.300 nan 0.000 0.451 387 Y N 1.434 121.364 120.300 -0.615 0.000 2.361 387 Y HA 0.434 4.961 4.550 -0.038 0.000 0.337 387 Y C -1.046 174.174 175.900 -1.134 0.000 0.965 387 Y CA -1.502 56.170 58.100 -0.714 0.000 1.091 387 Y CB 1.403 39.388 38.460 -0.792 0.000 1.182 387 Y HN 0.517 nan 8.280 nan 0.000 0.450 388 W N 3.353 124.336 121.300 -0.529 0.000 2.573 388 W HA 0.619 5.256 4.660 -0.038 0.000 0.326 388 W C -1.405 174.687 176.519 -0.710 0.000 1.049 388 W CA -0.698 56.354 57.345 -0.489 0.000 1.220 388 W CB 1.181 30.524 29.460 -0.195 0.000 1.373 388 W HN 0.326 nan 8.180 nan 0.000 0.507 389 Y N 2.901 123.098 120.300 -0.172 0.000 2.462 389 Y HA 0.651 5.179 4.550 -0.038 0.000 0.346 389 Y C -0.330 175.248 175.900 -0.537 0.000 0.976 389 Y CA -1.649 56.151 58.100 -0.500 0.000 1.044 389 Y CB 1.230 39.262 38.460 -0.713 0.000 1.230 389 Y HN 0.056 nan 8.280 nan 0.000 0.455 390 L N 3.967 124.835 121.223 -0.592 0.000 2.349 390 L HA 0.524 4.841 4.340 -0.038 0.000 0.278 390 L C -1.260 175.407 176.870 -0.338 0.000 0.996 390 L CA -0.841 53.600 54.840 -0.666 0.000 0.825 390 L CB 1.305 42.664 42.059 -1.167 0.000 1.243 390 L HN 0.595 nan 8.230 nan 0.000 0.412 391 Y N 1.916 122.372 120.300 0.260 0.000 2.453 391 Y HA 0.314 4.841 4.550 -0.038 0.000 0.326 391 Y C 1.221 177.587 175.900 0.777 0.000 1.186 391 Y CA -0.733 57.631 58.100 0.439 0.000 1.200 391 Y CB 1.462 40.069 38.460 0.244 0.000 1.247 391 Y HN 0.443 nan 8.280 nan 0.000 0.482 392 L N 0.781 122.452 121.223 0.746 0.000 2.081 392 L HA -0.231 4.087 4.340 -0.038 0.000 0.212 392 L C 1.722 178.832 176.870 0.400 0.000 1.080 392 L CA 1.806 56.934 54.840 0.481 0.000 0.754 392 L CB -0.305 41.919 42.059 0.274 0.000 0.893 392 L HN 0.775 nan 8.230 nan 0.000 0.433 393 D N -0.496 120.110 120.400 0.344 0.000 2.336 393 D HA -0.016 4.601 4.640 -0.038 0.000 0.229 393 D C 1.385 177.731 176.300 0.077 0.000 1.061 393 D CA 0.887 54.959 54.000 0.120 0.000 0.875 393 D CB 0.328 41.178 40.800 0.084 0.000 0.904 393 D HN 0.356 nan 8.370 nan 0.000 0.525 394 G N -0.260 108.773 108.800 0.390 0.000 2.176 394 G HA2 -0.237 3.700 3.960 -0.038 0.000 0.232 394 G HA3 -0.237 3.700 3.960 -0.038 0.000 0.232 394 G C 0.334 175.711 174.900 0.796 0.000 0.986 394 G CA 0.208 45.566 45.100 0.429 0.000 0.643 394 G HN 0.437 nan 8.290 nan 0.000 0.522 395 T N 1.129 116.084 114.554 0.669 0.000 2.884 395 T HA 0.578 4.905 4.350 -0.038 0.000 0.298 395 T C 0.517 175.594 174.700 0.628 0.000 0.998 395 T CA 0.375 62.808 62.100 0.554 0.000 1.124 395 T CB 1.337 70.359 68.868 0.257 0.000 0.931 395 T HN 0.330 nan 8.240 nan 0.000 0.531 396 I N 2.676 123.534 120.570 0.481 0.000 2.433 396 I HA 0.477 4.624 4.170 -0.038 0.000 0.292 396 I C 0.220 176.482 176.117 0.242 0.000 1.001 396 I CA -0.532 60.934 61.300 0.277 0.000 1.119 396 I CB 1.750 39.885 38.000 0.225 0.000 1.289 396 I HN 0.568 nan 8.210 nan 0.000 0.438 397 E N 5.249 125.544 120.200 0.158 0.000 2.340 397 E HA 0.476 4.804 4.350 -0.038 0.000 0.273 397 E C -1.970 174.417 176.600 -0.354 0.000 0.891 397 E CA -0.703 55.679 56.400 -0.030 0.000 0.757 397 E CB 2.679 32.522 29.700 0.238 0.000 1.231 397 E HN 0.407 nan 8.360 nan 0.000 0.439 398 F N 2.322 121.644 119.950 -1.047 0.000 2.532 398 F HA 0.488 4.992 4.527 -0.038 0.000 0.321 398 F C -1.121 174.089 175.800 -0.983 0.000 1.089 398 F CA -0.559 56.597 58.000 -1.406 0.000 0.926 398 F CB 1.719 39.524 39.000 -1.992 0.000 1.168 398 F HN 0.461 nan 8.300 nan 0.000 0.459 399 E N 4.287 123.292 120.200 -1.992 0.000 2.263 399 E HA 0.687 5.015 4.350 -0.038 0.000 0.268 399 E C -1.911 173.777 176.600 -1.519 0.000 0.884 399 E CA -0.952 54.661 56.400 -1.311 0.000 0.766 399 E CB 1.715 31.098 29.700 -0.529 0.000 1.196 399 E HN 0.856 nan 8.360 nan 0.000 0.416 400 A N 4.653 126.812 122.820 -1.103 0.000 2.304 400 A HA 0.528 4.825 4.320 -0.038 0.000 0.323 400 A C -0.781 176.546 177.584 -0.429 0.000 1.195 400 A CA -0.700 50.822 52.037 -0.857 0.000 0.826 400 A CB 0.760 19.058 19.000 -1.170 0.000 1.184 400 A HN 0.552 nan 8.150 nan 0.000 0.496 401 K N 1.769 122.017 120.400 -0.253 0.000 2.339 401 K HA 0.581 4.879 4.320 -0.038 0.000 0.264 401 K C -0.579 176.032 176.600 0.019 0.000 0.986 401 K CA -0.299 55.938 56.287 -0.083 0.000 0.866 401 K CB 2.139 34.639 32.500 0.001 0.000 1.103 401 K HN 0.722 nan 8.250 nan 0.000 0.441 402 A N 2.884 125.745 122.820 0.067 0.000 2.276 402 A HA 0.627 4.925 4.320 -0.038 0.000 0.316 402 A C -0.193 177.406 177.584 0.025 0.000 1.229 402 A CA -0.241 51.853 52.037 0.094 0.000 0.851 402 A CB 0.610 19.645 19.000 0.058 0.000 1.165 402 A HN 0.709 nan 8.150 nan 0.000 0.513 403 T N 0.125 114.658 114.554 -0.036 0.000 2.591 403 T HA 0.926 5.253 4.350 -0.038 0.000 0.274 403 T C 0.574 175.173 174.700 -0.168 0.000 0.945 403 T CA 0.019 62.088 62.100 -0.052 0.000 1.087 403 T CB 0.932 69.829 68.868 0.048 0.000 1.416 403 T HN 2.400 nan 8.240 nan 0.000 0.514 404 G N -0.388 108.302 108.800 -0.184 0.000 2.451 404 G HA2 0.096 4.033 3.960 -0.038 0.000 0.208 404 G HA3 0.096 4.033 3.960 -0.038 0.000 0.208 404 G C -1.424 173.312 174.900 -0.272 0.000 1.248 404 G CA -0.399 44.551 45.100 -0.250 0.000 0.989 404 G HN 1.134 nan 8.290 nan 0.000 0.559 405 V N 1.319 121.034 119.914 -0.332 0.000 2.448 405 V HA 0.609 4.706 4.120 -0.038 0.000 0.295 405 V C 1.139 177.092 176.094 -0.234 0.000 1.025 405 V CA -0.105 62.018 62.300 -0.295 0.000 0.859 405 V CB 1.048 32.638 31.823 -0.388 0.000 0.988 405 V HN 1.778 nan 8.190 nan 0.000 0.431 406 V N 2.631 122.560 119.914 0.025 0.000 2.872 406 V HA 0.322 4.420 4.120 -0.038 0.000 0.307 406 V C -0.147 176.019 176.094 0.120 0.000 1.072 406 V CA -0.127 62.246 62.300 0.123 0.000 1.148 406 V CB 0.291 32.273 31.823 0.264 0.000 0.954 406 V HN 0.630 nan 8.190 nan 0.000 0.490 407 F N 4.629 124.578 119.950 -0.003 0.000 2.467 407 F HA 0.527 5.035 4.527 -0.032 0.000 0.362 407 F C 0.984 176.907 175.800 0.204 0.000 1.090 407 F CA 0.448 58.480 58.000 0.054 0.000 1.202 407 F CB 0.869 39.858 39.000 -0.019 0.000 1.113 407 F HN 1.021 nan 8.300 nan 0.000 0.541 408 T N 1.671 116.188 114.554 -0.061 0.000 2.937 408 T HA 0.830 5.157 4.350 -0.038 0.000 0.283 408 T C -0.214 174.518 174.700 0.054 0.000 1.012 408 T CA -0.236 61.901 62.100 0.063 0.000 0.997 408 T CB 1.605 70.492 68.868 0.030 0.000 1.136 408 T HN 0.740 nan 8.240 nan 0.000 0.551 409 S N -0.680 115.028 115.700 0.012 0.000 2.727 409 S HA 0.761 5.209 4.470 -0.038 0.000 0.278 409 S C -0.698 173.849 174.600 -0.087 0.000 1.186 409 S CA -0.802 57.360 58.200 -0.063 0.000 0.836 409 S CB 0.739 63.918 63.200 -0.035 0.000 1.186 409 S HN 1.415 nan 8.310 nan 0.000 0.499 410 A N 0.475 123.192 122.820 -0.172 0.000 2.322 410 A HA 0.694 4.991 4.320 -0.038 0.000 0.269 410 A C -0.764 176.828 177.584 0.013 0.000 1.094 410 A CA -0.426 51.564 52.037 -0.078 0.000 0.807 410 A CB -0.140 18.787 19.000 -0.122 0.000 1.047 410 A HN 1.010 nan 8.150 nan 0.000 0.487 411 F N 3.171 123.102 119.950 -0.032 0.000 2.404 411 F HA 0.506 5.008 4.527 -0.042 0.000 0.358 411 F C -2.127 173.703 175.800 0.050 0.000 1.120 411 F CA -2.625 55.368 58.000 -0.013 0.000 1.144 411 F CB 0.756 39.744 39.000 -0.020 0.000 1.133 411 F HN 0.306 nan 8.300 nan 0.000 0.495 412 P HA -0.059 nan 4.420 nan 0.000 0.265 412 P C -0.827 176.276 177.300 -0.330 0.000 1.187 412 P CA 0.029 62.961 63.100 -0.279 0.000 0.766 412 P CB 0.402 31.930 31.700 -0.286 0.000 0.820 413 E N 2.110 122.242 120.200 -0.114 0.000 2.366 413 E HA 0.224 4.551 4.350 -0.038 0.000 0.266 413 E C 0.926 177.468 176.600 -0.097 0.000 1.015 413 E CA 0.560 56.918 56.400 -0.070 0.000 0.906 413 E CB -0.567 29.106 29.700 -0.045 0.000 0.979 413 E HN 0.760 nan 8.360 nan 0.000 0.443 414 G N 2.828 111.590 108.800 -0.063 0.000 2.176 414 G HA2 -0.158 3.780 3.960 -0.038 0.000 0.232 414 G HA3 -0.158 3.780 3.960 -0.038 0.000 0.232 414 G C 0.621 175.476 174.900 -0.075 0.000 0.986 414 G CA -0.062 45.010 45.100 -0.047 0.000 0.643 414 G HN 1.477 nan 8.290 nan 0.000 0.522 415 G N -1.547 107.130 108.800 -0.204 0.000 2.725 415 G HA2 0.407 4.344 3.960 -0.038 0.000 0.220 415 G HA3 0.407 4.344 3.960 -0.038 0.000 0.220 415 G C -0.111 174.584 174.900 -0.340 0.000 1.357 415 G CA 0.946 45.903 45.100 -0.238 0.000 0.866 415 G HN 2.292 nan 8.290 nan 0.000 0.548 416 S N -1.495 114.117 115.700 -0.146 0.000 2.543 416 S HA 0.572 5.020 4.470 -0.038 0.000 0.274 416 S C -0.264 174.330 174.600 -0.009 0.000 1.149 416 S CA 0.477 58.601 58.200 -0.126 0.000 0.866 416 S CB 1.703 64.761 63.200 -0.236 0.000 1.111 416 S HN 0.627 nan 8.310 nan 0.000 0.457 417 D N 2.314 122.706 120.400 -0.013 0.000 2.340 417 D HA 0.180 4.797 4.640 -0.038 0.000 0.220 417 D C 0.355 176.676 176.300 0.035 0.000 1.039 417 D CA 0.563 54.605 54.000 0.071 0.000 0.866 417 D CB -0.007 40.838 40.800 0.075 0.000 0.913 417 D HN 0.621 nan 8.370 nan 0.000 0.523 418 N N -0.573 117.972 118.700 -0.257 0.000 2.184 418 N HA 0.278 4.995 4.740 -0.038 0.000 0.234 418 N C -0.431 174.390 175.510 -1.147 0.000 1.282 418 N CA -0.016 52.695 53.050 -0.565 0.000 0.877 418 N CB 1.675 40.066 38.487 -0.160 0.000 1.184 418 N HN -0.019 nan 8.380 nan 0.000 0.510 419 I N 0.189 120.130 120.570 -1.047 0.000 2.775 419 I HA 0.318 4.465 4.170 -0.038 0.000 0.295 419 I C -0.826 175.265 176.117 -0.044 0.000 1.287 419 I CA -0.946 60.037 61.300 -0.528 0.000 1.029 419 I CB 2.234 40.177 38.000 -0.096 0.000 1.282 419 I HN -0.045 nan 8.210 nan 0.000 0.426 420 S N 3.462 119.319 115.700 0.262 0.000 2.621 420 S HA 0.572 5.019 4.470 -0.038 0.000 0.302 420 S C -0.777 173.798 174.600 -0.041 0.000 1.093 420 S CA -0.798 57.582 58.200 0.300 0.000 1.017 420 S CB 2.074 65.542 63.200 0.447 0.000 1.077 420 S HN 0.667 nan 8.310 nan 0.000 0.517 421 Q N 0.704 120.164 119.800 -0.567 0.000 2.256 421 Q HA 0.488 4.806 4.340 -0.038 0.000 0.254 421 Q C -0.262 175.536 176.000 -0.337 0.000 0.916 421 Q CA -0.565 54.769 55.803 -0.781 0.000 0.932 421 Q CB 0.854 28.726 28.738 -1.443 0.000 1.207 421 Q HN 0.870 nan 8.270 nan 0.000 0.426 422 L N 2.047 123.107 121.223 -0.272 0.000 2.500 422 L HA 0.543 4.860 4.340 -0.038 0.000 0.219 422 L C 0.360 177.109 176.870 -0.203 0.000 1.057 422 L CA 0.154 54.875 54.840 -0.198 0.000 0.854 422 L CB 0.594 42.472 42.059 -0.302 0.000 1.078 422 L HN 0.645 nan 8.230 nan 0.000 0.480 423 A N -1.001 121.653 122.820 -0.277 0.000 2.588 423 A HA 0.672 4.969 4.320 -0.038 0.000 0.290 423 A C -2.725 174.782 177.584 -0.129 0.000 1.136 423 A CA -1.186 50.748 52.037 -0.172 0.000 0.681 423 A CB 0.500 19.368 19.000 -0.220 0.000 1.282 423 A HN -0.227 nan 8.150 nan 0.000 0.421 424 P HA 0.267 nan 4.420 nan 0.000 0.260 424 P C 1.017 178.323 177.300 0.010 0.000 1.185 424 P CA 2.251 65.345 63.100 -0.010 0.000 0.763 424 P CB 0.370 32.079 31.700 0.014 0.000 0.776 425 G N 2.307 111.146 108.800 0.065 0.000 2.196 425 G HA2 -0.292 3.646 3.960 -0.038 0.000 0.268 425 G HA3 -0.292 3.646 3.960 -0.038 0.000 0.268 425 G C -0.072 174.883 174.900 0.091 0.000 0.975 425 G CA -0.012 45.159 45.100 0.119 0.000 0.648 425 G HN 0.568 nan 8.290 nan 0.000 0.538 426 L N 1.818 123.029 121.223 -0.020 0.000 2.265 426 L HA 0.751 5.068 4.340 -0.038 0.000 0.288 426 L C 0.792 177.618 176.870 -0.073 0.000 1.058 426 L CA 0.204 54.969 54.840 -0.124 0.000 0.809 426 L CB 0.996 42.838 42.059 -0.363 0.000 1.179 426 L HN 0.333 nan 8.230 nan 0.000 0.429 427 G N 3.481 112.293 108.800 0.019 0.000 2.471 427 G HA2 0.751 4.689 3.960 -0.038 0.000 0.332 427 G HA3 0.751 4.689 3.960 -0.038 0.000 0.332 427 G C -1.523 173.420 174.900 0.071 0.000 1.176 427 G CA -0.286 44.895 45.100 0.135 0.000 0.949 427 G HN 0.966 nan 8.290 nan 0.000 0.488 428 A N 1.590 124.504 122.820 0.156 0.000 2.569 428 A HA 0.734 5.031 4.320 -0.038 0.000 0.282 428 A C -2.859 174.911 177.584 0.311 0.000 1.165 428 A CA -1.270 50.908 52.037 0.236 0.000 0.747 428 A CB 1.632 20.778 19.000 0.244 0.000 1.215 428 A HN 0.411 nan 8.150 nan 0.000 0.431 429 P HA 0.217 nan 4.420 nan 0.000 0.268 429 P C -0.380 177.230 177.300 0.517 0.000 1.205 429 P CA 0.181 63.460 63.100 0.298 0.000 0.771 429 P CB 0.188 32.113 31.700 0.374 0.000 0.858 430 F N 3.610 123.702 119.950 0.237 0.000 2.506 430 F HA 0.212 4.717 4.527 -0.036 0.000 0.351 430 F C 1.624 177.374 175.800 -0.083 0.000 1.136 430 F CA 0.467 58.491 58.000 0.040 0.000 1.298 430 F CB -0.441 38.583 39.000 0.041 0.000 1.145 430 F HN 0.497 nan 8.300 nan 0.000 0.593 431 H N -0.050 118.887 119.070 -0.221 0.000 2.902 431 H HA 0.515 5.049 4.556 -0.037 0.000 0.297 431 H C -1.822 173.194 175.328 -0.519 0.000 1.406 431 H CA -1.128 54.577 56.048 -0.573 0.000 1.134 431 H CB 1.399 30.394 29.762 -1.278 0.000 1.833 431 H HN 0.581 nan 8.280 nan 0.000 0.527 432 Q N 0.187 119.678 119.800 -0.515 0.000 2.451 432 Q HA 0.405 4.722 4.340 -0.038 0.000 0.281 432 Q C -1.077 174.608 176.000 -0.524 0.000 1.099 432 Q CA -0.982 54.535 55.803 -0.476 0.000 0.806 432 Q CB 2.978 31.506 28.738 -0.350 0.000 1.419 432 Q HN 0.540 nan 8.270 nan 0.000 0.427 433 H N 1.297 120.156 119.070 -0.352 0.000 2.887 433 H HA 0.441 4.974 4.556 -0.038 0.000 0.300 433 H C -0.906 174.142 175.328 -0.466 0.000 1.038 433 H CA -0.235 55.563 56.048 -0.416 0.000 1.352 433 H CB 0.779 30.354 29.762 -0.312 0.000 1.473 433 H HN 0.442 nan 8.280 nan 0.000 0.503 434 I N 3.951 124.244 120.570 -0.460 0.000 2.406 434 I HA 0.244 4.391 4.170 -0.038 0.000 0.290 434 I C -0.527 175.291 176.117 -0.498 0.000 0.999 434 I CA -0.617 60.460 61.300 -0.371 0.000 1.124 434 I CB 1.114 38.929 38.000 -0.308 0.000 1.289 434 I HN 0.205 nan 8.210 nan 0.000 0.441 435 F N 3.049 122.694 119.950 -0.508 0.000 2.497 435 F HA 0.534 5.039 4.527 -0.037 0.000 0.331 435 F C 0.608 176.188 175.800 -0.366 0.000 1.060 435 F CA -0.853 56.808 58.000 -0.565 0.000 0.989 435 F CB 1.697 40.025 39.000 -1.120 0.000 1.245 435 F HN 0.251 nan 8.300 nan 0.000 0.486 436 S N 0.981 116.707 115.700 0.043 0.000 2.756 436 S HA 0.756 5.203 4.470 -0.038 0.000 0.303 436 S C -0.956 173.747 174.600 0.172 0.000 1.135 436 S CA -0.550 57.725 58.200 0.125 0.000 1.066 436 S CB 0.412 63.538 63.200 -0.123 0.000 1.008 436 S HN 0.840 nan 8.310 nan 0.000 0.482 437 A N 4.756 127.740 122.820 0.274 0.000 2.289 437 A HA 0.624 4.921 4.320 -0.038 0.000 0.298 437 A C 0.178 177.810 177.584 0.080 0.000 1.208 437 A CA -0.621 51.546 52.037 0.217 0.000 0.845 437 A CB 0.361 19.464 19.000 0.171 0.000 1.125 437 A HN 0.839 nan 8.150 nan 0.000 0.517 438 R N 3.381 123.866 120.500 -0.024 0.000 2.229 438 R HA 0.542 4.860 4.340 -0.038 0.000 0.332 438 R C -1.596 174.534 176.300 -0.282 0.000 0.989 438 R CA -0.353 55.541 56.100 -0.344 0.000 0.842 438 R CB 0.329 30.315 30.300 -0.524 0.000 1.119 438 R HN 0.718 nan 8.270 nan 0.000 0.456 439 L N 4.442 125.483 121.223 -0.304 0.000 2.324 439 L HA 0.261 4.578 4.340 -0.038 0.000 0.274 439 L C -0.507 176.239 176.870 -0.206 0.000 1.012 439 L CA -0.882 53.852 54.840 -0.178 0.000 0.859 439 L CB 1.541 43.561 42.059 -0.065 0.000 1.224 439 L HN 0.546 nan 8.230 nan 0.000 0.429 440 D N 4.853 125.143 120.400 -0.183 0.000 2.402 440 D HA 0.163 4.780 4.640 -0.038 0.000 0.235 440 D C 0.198 176.473 176.300 -0.040 0.000 1.226 440 D CA -0.266 53.676 54.000 -0.096 0.000 0.918 440 D CB 0.588 41.354 40.800 -0.057 0.000 1.043 440 D HN 0.131 nan 8.370 nan 0.000 0.506 441 M N 2.337 121.927 119.600 -0.018 0.000 2.248 441 M HA 0.330 4.788 4.480 -0.038 0.000 0.337 441 M C 0.410 176.688 176.300 -0.035 0.000 1.121 441 M CA -0.374 54.911 55.300 -0.026 0.000 1.155 441 M CB 0.693 33.297 32.600 0.006 0.000 1.514 441 M HN 0.490 nan 8.290 nan 0.000 0.452 442 A N 3.791 126.515 122.820 -0.160 0.000 3.339 442 A HA 0.390 4.688 4.320 -0.038 0.000 0.219 442 A C -0.392 177.062 177.584 -0.217 0.000 0.974 442 A CA -0.544 51.276 52.037 -0.361 0.000 1.050 442 A CB 0.083 18.680 19.000 -0.673 0.000 1.271 442 A HN 0.590 nan 8.150 nan 0.000 0.565 443 I N 1.690 122.211 120.570 -0.082 0.000 2.574 443 I HA 0.063 4.210 4.170 -0.038 0.000 0.291 443 I C 0.387 176.552 176.117 0.080 0.000 1.131 443 I CA 0.851 62.185 61.300 0.056 0.000 1.352 443 I CB -1.040 37.038 38.000 0.131 0.000 1.431 443 I HN 0.487 nan 8.210 nan 0.000 0.543 444 D N 4.962 125.431 120.400 0.115 0.000 2.837 444 D HA -0.155 4.463 4.640 -0.038 0.000 0.230 444 D C 0.663 176.918 176.300 -0.075 0.000 1.152 444 D CA 1.652 55.655 54.000 0.005 0.000 0.736 444 D CB -0.753 40.012 40.800 -0.059 0.000 1.084 444 D HN 1.112 nan 8.370 nan 0.000 0.429 445 G N -2.132 106.563 108.800 -0.174 0.000 2.384 445 G HA2 -0.090 3.847 3.960 -0.038 0.000 0.668 445 G HA3 -0.090 3.847 3.960 -0.038 0.000 0.668 445 G C 0.267 174.977 174.900 -0.316 0.000 1.280 445 G CA -0.364 44.575 45.100 -0.269 0.000 0.992 445 G HN 0.055 nan 8.290 nan 0.000 0.512 446 F N 0.789 120.728 119.950 -0.018 0.000 2.710 446 F HA 0.225 4.730 4.527 -0.038 0.000 0.298 446 F C 2.205 178.003 175.800 -0.004 0.000 1.137 446 F CA 1.126 59.110 58.000 -0.027 0.000 1.444 446 F CB 0.309 39.275 39.000 -0.057 0.000 1.111 446 F HN 0.292 nan 8.300 nan 0.000 0.580 447 T N 2.734 117.373 114.554 0.142 0.000 2.848 447 T HA 0.160 4.488 4.350 -0.038 0.000 0.283 447 T C -0.104 174.646 174.700 0.083 0.000 0.919 447 T CA -0.080 62.082 62.100 0.103 0.000 1.071 447 T CB -0.423 68.487 68.868 0.071 0.000 0.912 447 T HN 0.002 nan 8.240 nan 0.000 0.570 448 N N 2.671 121.428 118.700 0.096 0.000 2.469 448 N HA 0.702 5.419 4.740 -0.038 0.000 0.286 448 N C -0.257 175.306 175.510 0.089 0.000 1.275 448 N CA -1.024 52.078 53.050 0.087 0.000 0.790 448 N CB 2.129 40.670 38.487 0.089 0.000 1.446 448 N HN 0.624 nan 8.380 nan 0.000 0.501 449 R N -1.702 118.851 120.500 0.089 0.000 2.781 449 R HA 0.815 5.133 4.340 -0.038 0.000 0.269 449 R C -1.762 174.600 176.300 0.103 0.000 1.025 449 R CA -0.875 55.280 56.100 0.091 0.000 0.914 449 R CB 0.809 31.156 30.300 0.079 0.000 1.236 449 R HN 0.182 nan 8.270 nan 0.000 0.465 450 V N 0.790 120.772 119.914 0.113 0.000 2.709 450 V HA 0.427 4.524 4.120 -0.038 0.000 0.308 450 V C -0.764 175.418 176.094 0.147 0.000 1.062 450 V CA -0.735 61.649 62.300 0.140 0.000 0.901 450 V CB 1.949 33.862 31.823 0.150 0.000 1.003 450 V HN 0.767 nan 8.190 nan 0.000 0.425 451 E N 2.182 122.476 120.200 0.156 0.000 2.238 451 E HA 0.446 4.774 4.350 -0.038 0.000 0.267 451 E C -0.982 175.711 176.600 0.156 0.000 0.887 451 E CA -0.674 55.804 56.400 0.130 0.000 0.769 451 E CB 2.836 32.581 29.700 0.075 0.000 1.187 451 E HN 0.729 nan 8.360 nan 0.000 0.416 452 E N 2.624 122.903 120.200 0.131 0.000 2.167 452 E HA 0.066 4.394 4.350 -0.038 0.000 0.284 452 E C -0.994 175.535 176.600 -0.118 0.000 1.016 452 E CA -0.261 56.137 56.400 -0.002 0.000 0.817 452 E CB 0.868 30.635 29.700 0.112 0.000 1.080 452 E HN 0.391 nan 8.360 nan 0.000 0.397 453 E N 4.339 124.395 120.200 -0.241 0.000 2.133 453 E HA 0.167 4.494 4.350 -0.038 0.000 0.274 453 E C -1.224 175.255 176.600 -0.201 0.000 0.930 453 E CA -0.779 55.520 56.400 -0.168 0.000 0.770 453 E CB 0.900 30.522 29.700 -0.131 0.000 1.104 453 E HN 0.427 nan 8.360 nan 0.000 0.403 454 D N 2.502 122.830 120.400 -0.121 0.000 2.252 454 D HA 0.259 4.877 4.640 -0.038 0.000 0.245 454 D C -0.603 175.668 176.300 -0.048 0.000 1.009 454 D CA -0.549 53.390 54.000 -0.101 0.000 0.870 454 D CB 2.140 42.897 40.800 -0.072 0.000 1.251 454 D HN 0.154 nan 8.370 nan 0.000 0.460 455 V N 1.605 121.494 119.914 -0.043 0.000 2.686 455 V HA 0.194 4.291 4.120 -0.038 0.000 0.295 455 V C 0.126 176.227 176.094 0.010 0.000 1.055 455 V CA -0.246 62.053 62.300 -0.002 0.000 1.050 455 V CB 1.470 33.264 31.823 -0.049 0.000 0.984 455 V HN 0.254 nan 8.190 nan 0.000 0.482 456 V N 6.607 126.556 119.914 0.059 0.000 2.409 456 V HA 0.448 4.545 4.120 -0.038 0.000 0.291 456 V C 0.270 176.415 176.094 0.085 0.000 1.020 456 V CA -0.760 61.571 62.300 0.053 0.000 0.848 456 V CB 1.550 33.402 31.823 0.047 0.000 0.990 456 V HN 0.809 nan 8.190 nan 0.000 0.430 457 R N 3.599 124.129 120.500 0.050 0.000 2.500 457 R HA 0.591 4.909 4.340 -0.038 0.000 0.275 457 R C -0.586 175.749 176.300 0.058 0.000 1.051 457 R CA -0.517 55.618 56.100 0.060 0.000 1.088 457 R CB 1.161 31.472 30.300 0.019 0.000 1.063 457 R HN 0.679 nan 8.270 nan 0.000 0.511 458 Q N 0.471 120.311 119.800 0.067 0.000 2.377 458 Q HA 0.276 4.594 4.340 -0.038 0.000 0.271 458 Q C -0.676 175.346 176.000 0.036 0.000 1.077 458 Q CA -0.900 54.931 55.803 0.046 0.000 0.820 458 Q CB 2.494 31.260 28.738 0.047 0.000 1.347 458 Q HN 0.629 nan 8.270 nan 0.000 0.444 459 T N -1.318 113.251 114.554 0.024 0.000 2.889 459 T HA 0.408 4.736 4.350 -0.038 0.000 0.291 459 T C 0.244 174.954 174.700 0.017 0.000 0.995 459 T CA -0.767 61.344 62.100 0.019 0.000 1.092 459 T CB 0.753 69.629 68.868 0.014 0.000 0.954 459 T HN 0.602 nan 8.240 nan 0.000 0.506 460 M N 2.818 122.428 119.600 0.016 0.000 2.252 460 M HA 0.438 4.895 4.480 -0.038 0.000 0.348 460 M C 0.541 176.847 176.300 0.010 0.000 1.334 460 M CA 1.147 56.456 55.300 0.014 0.000 1.071 460 M CB -0.705 31.903 32.600 0.013 0.000 1.763 460 M HN 1.179 nan 8.290 nan 0.000 0.452 461 G N 4.634 113.439 108.800 0.008 0.000 2.367 461 G HA2 0.186 4.124 3.960 -0.038 0.000 0.272 461 G HA3 0.186 4.124 3.960 -0.038 0.000 0.272 461 G C -3.387 171.516 174.900 0.004 0.000 1.271 461 G CA -1.127 43.977 45.100 0.006 0.000 0.893 461 G HN 0.410 nan 8.290 nan 0.000 0.485 462 P HA 0.312 nan 4.420 nan 0.000 0.261 462 P C 0.999 178.299 177.300 -0.000 0.000 1.183 462 P CA 2.383 65.484 63.100 0.001 0.000 0.761 462 P CB 0.704 32.404 31.700 0.001 0.000 0.785 463 G N 2.908 111.707 108.800 -0.002 0.000 2.205 463 G HA2 -0.279 3.659 3.960 -0.038 0.000 0.261 463 G HA3 -0.279 3.659 3.960 -0.038 0.000 0.261 463 G C 0.546 175.443 174.900 -0.005 0.000 0.980 463 G CA 0.358 45.455 45.100 -0.005 0.000 0.632 463 G HN 0.648 nan 8.290 nan 0.000 0.533 464 N N 0.399 119.099 118.700 -0.001 0.000 2.620 464 N HA 0.186 4.903 4.740 -0.038 0.000 0.277 464 N C 1.465 176.978 175.510 0.005 0.000 1.726 464 N CA 0.667 53.718 53.050 0.002 0.000 0.840 464 N CB 0.292 38.783 38.487 0.006 0.000 1.379 464 N HN 0.308 nan 8.380 nan 0.000 0.506 465 E N -0.024 120.177 120.200 0.003 0.000 2.265 465 E HA -0.123 4.205 4.350 -0.038 0.000 0.196 465 E C 0.869 177.473 176.600 0.006 0.000 0.996 465 E CA 0.805 57.207 56.400 0.004 0.000 0.832 465 E CB -0.010 29.691 29.700 0.002 0.000 0.756 465 E HN 0.445 nan 8.360 nan 0.000 0.491 466 R N 0.234 120.738 120.500 0.007 0.000 2.310 466 R HA 0.118 4.436 4.340 -0.038 0.000 0.202 466 R C 0.832 177.141 176.300 0.015 0.000 0.933 466 R CA 0.460 56.565 56.100 0.010 0.000 1.054 466 R CB 0.093 30.398 30.300 0.008 0.000 0.985 466 R HN 0.310 nan 8.270 nan 0.000 0.489 467 G N 2.327 111.137 108.800 0.017 0.000 2.305 467 G HA2 -0.342 3.595 3.960 -0.038 0.000 0.287 467 G HA3 -0.342 3.595 3.960 -0.038 0.000 0.287 467 G C 0.188 175.111 174.900 0.039 0.000 1.036 467 G CA 0.955 46.070 45.100 0.025 0.000 0.887 467 G HN 0.697 nan 8.290 nan 0.000 0.505 468 N N -1.191 117.533 118.700 0.041 0.000 2.227 468 N HA 0.520 5.237 4.740 -0.038 0.000 0.196 468 N C 1.138 176.699 175.510 0.086 0.000 1.142 468 N CA 0.494 53.583 53.050 0.064 0.000 0.887 468 N CB 0.499 39.011 38.487 0.042 0.000 1.022 468 N HN 0.789 nan 8.380 nan 0.000 0.500 469 A N 0.872 123.721 122.820 0.049 0.000 2.440 469 A HA 0.457 4.754 4.320 -0.038 0.000 0.251 469 A C -0.628 177.028 177.584 0.120 0.000 1.089 469 A CA -0.289 51.757 52.037 0.016 0.000 0.779 469 A CB -0.311 18.682 19.000 -0.012 0.000 1.022 469 A HN 0.486 nan 8.150 nan 0.000 0.492 470 F N 0.823 120.768 119.950 -0.008 0.000 2.591 470 F HA 0.804 5.309 4.527 -0.037 0.000 0.309 470 F C -0.231 175.563 175.800 -0.011 0.000 1.098 470 F CA -0.581 57.413 58.000 -0.010 0.000 0.937 470 F CB 1.082 40.075 39.000 -0.011 0.000 1.250 470 F HN 0.539 nan 8.300 nan 0.000 0.447 471 S N 1.723 117.548 115.700 0.208 0.000 3.137 471 S HA 0.897 5.345 4.470 -0.038 0.000 0.292 471 S C -1.230 173.462 174.600 0.152 0.000 1.041 471 S CA -0.760 57.494 58.200 0.091 0.000 0.956 471 S CB 1.360 64.577 63.200 0.029 0.000 1.360 471 S HN 1.059 nan 8.310 nan 0.000 0.690 472 R N 0.203 120.746 120.500 0.072 0.000 2.716 472 R HA 0.626 4.943 4.340 -0.038 0.000 0.271 472 R C -1.987 174.325 176.300 0.021 0.000 1.028 472 R CA -1.068 55.062 56.100 0.051 0.000 0.883 472 R CB 1.092 31.421 30.300 0.048 0.000 1.250 472 R HN 0.667 nan 8.270 nan 0.000 0.465 473 K N 1.153 121.556 120.400 0.004 0.000 2.477 473 K HA 0.617 4.914 4.320 -0.038 0.000 0.255 473 K C -1.164 175.430 176.600 -0.010 0.000 0.952 473 K CA -1.207 55.080 56.287 0.000 0.000 0.826 473 K CB 2.793 35.294 32.500 0.002 0.000 1.331 473 K HN 0.624 nan 8.250 nan 0.000 0.437 474 R N 0.926 121.425 120.500 -0.001 0.000 2.575 474 R HA 0.374 4.692 4.340 -0.038 0.000 0.293 474 R C -1.246 175.064 176.300 0.017 0.000 0.983 474 R CA -0.903 55.199 56.100 0.002 0.000 0.887 474 R CB 2.631 32.936 30.300 0.008 0.000 1.184 474 R HN 0.672 nan 8.270 nan 0.000 0.445 475 T N 2.007 116.578 114.554 0.028 0.000 2.791 475 T HA 0.155 4.483 4.350 -0.038 0.000 0.288 475 T C -0.529 174.210 174.700 0.065 0.000 0.999 475 T CA -0.513 61.613 62.100 0.043 0.000 0.952 475 T CB 1.707 70.601 68.868 0.045 0.000 0.938 475 T HN 0.255 nan 8.240 nan 0.000 0.444 476 V N 6.150 126.100 119.914 0.060 0.000 2.555 476 V HA 0.388 4.486 4.120 -0.038 0.000 0.286 476 V C -0.233 175.907 176.094 0.077 0.000 1.044 476 V CA -0.496 61.847 62.300 0.072 0.000 1.026 476 V CB 0.155 32.013 31.823 0.059 0.000 0.981 476 V HN 0.742 nan 8.190 nan 0.000 0.480 477 L N 7.356 128.635 121.223 0.093 0.000 2.283 477 L HA 0.308 4.625 4.340 -0.038 0.000 0.287 477 L C 1.521 178.438 176.870 0.079 0.000 1.073 477 L CA 0.138 55.031 54.840 0.088 0.000 0.822 477 L CB 1.017 43.138 42.059 0.104 0.000 1.186 477 L HN 0.932 nan 8.230 nan 0.000 0.436 478 T N -0.455 114.139 114.554 0.066 0.000 3.010 478 T HA 0.159 4.487 4.350 -0.038 0.000 0.252 478 T C 0.986 175.723 174.700 0.062 0.000 1.047 478 T CA 0.055 62.191 62.100 0.060 0.000 1.140 478 T CB 0.338 69.236 68.868 0.050 0.000 0.885 478 T HN 0.308 nan 8.240 nan 0.000 0.464 479 R N 0.822 121.358 120.500 0.060 0.000 2.854 479 R HA 0.505 4.823 4.340 -0.038 0.000 0.271 479 R C 0.783 177.125 176.300 0.070 0.000 0.996 479 R CA -0.683 55.453 56.100 0.061 0.000 0.961 479 R CB 1.211 31.541 30.300 0.049 0.000 1.182 479 R HN 0.254 nan 8.270 nan 0.000 0.479 480 E N 0.497 120.744 120.200 0.079 0.000 2.153 480 E HA -0.153 4.174 4.350 -0.038 0.000 0.194 480 E C 1.254 177.902 176.600 0.079 0.000 0.988 480 E CA 1.773 58.231 56.400 0.097 0.000 0.811 480 E CB 0.167 29.934 29.700 0.112 0.000 0.746 480 E HN 0.625 nan 8.360 nan 0.000 0.466 481 S N 0.974 116.710 115.700 0.060 0.000 2.500 481 S HA -0.168 4.280 4.470 -0.038 0.000 0.239 481 S C 1.401 176.016 174.600 0.025 0.000 0.989 481 S CA 1.222 59.448 58.200 0.043 0.000 0.951 481 S CB -0.299 62.923 63.200 0.036 0.000 0.759 481 S HN 0.448 nan 8.310 nan 0.000 0.523 482 E N -0.159 120.059 120.200 0.030 0.000 2.693 482 E HA 0.549 4.876 4.350 -0.038 0.000 0.214 482 E C 0.680 177.291 176.600 0.017 0.000 0.990 482 E CA 0.088 56.499 56.400 0.018 0.000 1.047 482 E CB 0.476 30.194 29.700 0.031 0.000 1.039 482 E HN 0.433 nan 8.360 nan 0.000 0.475 483 A N 0.966 123.797 122.820 0.018 0.000 2.545 483 A HA 0.339 4.637 4.320 -0.038 0.000 0.277 483 A C 0.127 177.663 177.584 -0.080 0.000 1.301 483 A CA -0.215 51.833 52.037 0.019 0.000 0.935 483 A CB 0.275 19.327 19.000 0.087 0.000 1.093 483 A HN 0.115 nan 8.150 nan 0.000 0.519 484 V N 2.648 122.443 119.914 -0.198 0.000 2.293 484 V HA 0.401 4.498 4.120 -0.038 0.000 0.275 484 V C -0.528 175.328 176.094 -0.397 0.000 1.021 484 V CA -0.760 61.222 62.300 -0.530 0.000 0.815 484 V CB 0.569 32.005 31.823 -0.646 0.000 1.025 484 V HN 0.455 nan 8.190 nan 0.000 0.448 485 R N 3.303 123.570 120.500 -0.387 0.000 2.732 485 R HA 0.649 4.966 4.340 -0.038 0.000 0.278 485 R C -0.066 176.156 176.300 -0.130 0.000 0.976 485 R CA -0.697 55.310 56.100 -0.155 0.000 0.963 485 R CB 2.044 32.353 30.300 0.016 0.000 1.150 485 R HN 0.894 nan 8.270 nan 0.000 0.478 486 E N 0.489 120.728 120.200 0.065 0.000 2.249 486 E HA 0.715 5.043 4.350 -0.038 0.000 0.263 486 E C -0.776 176.025 176.600 0.335 0.000 0.950 486 E CA -1.108 55.362 56.400 0.117 0.000 0.827 486 E CB 1.622 31.355 29.700 0.055 0.000 1.220 486 E HN 0.525 nan 8.360 nan 0.000 0.411 487 A N 1.144 124.156 122.820 0.320 0.000 2.346 487 A HA 0.260 4.558 4.320 -0.038 0.000 0.252 487 A C -0.221 177.464 177.584 0.168 0.000 1.089 487 A CA -0.039 52.209 52.037 0.352 0.000 0.797 487 A CB 0.340 19.523 19.000 0.305 0.000 1.047 487 A HN 0.717 nan 8.150 nan 0.000 0.494 488 D N -0.180 120.271 120.400 0.087 0.000 2.752 488 D HA 0.383 5.000 4.640 -0.038 0.000 0.242 488 D C 0.705 177.005 176.300 -0.000 0.000 1.295 488 D CA 0.292 54.310 54.000 0.030 0.000 0.846 488 D CB 0.487 41.287 40.800 -0.000 0.000 1.454 488 D HN 0.488 nan 8.370 nan 0.000 0.535 489 A N 2.215 125.053 122.820 0.030 0.000 1.940 489 A HA -0.214 4.084 4.320 -0.038 0.000 0.219 489 A C 1.997 179.575 177.584 -0.009 0.000 1.176 489 A CA 1.325 53.373 52.037 0.020 0.000 0.631 489 A CB -0.097 18.929 19.000 0.043 0.000 0.814 489 A HN 0.449 nan 8.150 nan 0.000 0.446 490 R N -0.155 120.339 120.500 -0.009 0.000 2.091 490 R HA -0.091 4.226 4.340 -0.038 0.000 0.238 490 R C 1.835 178.111 176.300 -0.041 0.000 1.136 490 R CA 1.822 57.909 56.100 -0.022 0.000 0.959 490 R CB -0.851 29.441 30.300 -0.013 0.000 0.856 490 R HN 0.658 nan 8.270 nan 0.000 0.437 491 T N -3.036 111.491 114.554 -0.045 0.000 3.186 491 T HA 0.291 4.619 4.350 -0.038 0.000 0.257 491 T C 1.110 175.763 174.700 -0.078 0.000 1.029 491 T CA 0.029 62.093 62.100 -0.060 0.000 0.916 491 T CB 0.559 69.395 68.868 -0.054 0.000 1.041 491 T HN 0.382 nan 8.240 nan 0.000 0.562 492 G N 2.425 111.181 108.800 -0.073 0.000 2.321 492 G HA2 -0.358 3.579 3.960 -0.038 0.000 0.287 492 G HA3 -0.358 3.579 3.960 -0.038 0.000 0.287 492 G C 0.086 174.907 174.900 -0.133 0.000 1.018 492 G CA 0.260 45.315 45.100 -0.075 0.000 0.855 492 G HN 0.914 nan 8.290 nan 0.000 0.507 493 R N 0.555 120.937 120.500 -0.196 0.000 2.538 493 R HA 0.397 4.715 4.340 -0.038 0.000 0.282 493 R C 0.864 176.789 176.300 -0.625 0.000 1.009 493 R CA 1.140 56.997 56.100 -0.404 0.000 1.063 493 R CB 0.188 30.236 30.300 -0.421 0.000 0.945 493 R HN 0.498 nan 8.270 nan 0.000 0.414 494 T N 0.717 114.806 114.554 -0.775 0.000 2.812 494 T HA 0.534 4.862 4.350 -0.038 0.000 0.294 494 T C -1.123 173.046 174.700 -0.884 0.000 1.159 494 T CA -0.978 60.683 62.100 -0.733 0.000 1.008 494 T CB 1.229 69.864 68.868 -0.388 0.000 1.289 494 T HN 0.571 nan 8.240 nan 0.000 0.514 495 W N 0.640 121.890 121.300 -0.084 0.000 2.781 495 W HA 0.583 5.220 4.660 -0.038 0.000 0.333 495 W C -1.187 175.309 176.519 -0.039 0.000 1.047 495 W CA -1.163 56.157 57.345 -0.041 0.000 1.236 495 W CB 1.644 31.090 29.460 -0.024 0.000 1.394 495 W HN 0.591 nan 8.180 nan 0.000 0.466 496 I N 4.392 125.055 120.570 0.154 0.000 2.354 496 I HA 0.302 4.449 4.170 -0.038 0.000 0.292 496 I C -0.298 175.905 176.117 0.144 0.000 0.989 496 I CA -0.973 60.395 61.300 0.113 0.000 1.188 496 I CB 1.316 39.353 38.000 0.062 0.000 1.342 496 I HN 0.090 nan 8.210 nan 0.000 0.457 497 I N 6.081 126.741 120.570 0.151 0.000 2.312 497 I HA 0.273 4.421 4.170 -0.038 0.000 0.290 497 I C 0.334 176.536 176.117 0.141 0.000 1.008 497 I CA 0.246 61.629 61.300 0.138 0.000 1.226 497 I CB 1.217 39.289 38.000 0.121 0.000 1.371 497 I HN 0.582 nan 8.210 nan 0.000 0.468 498 S N 3.989 119.759 115.700 0.118 0.000 2.677 498 S HA 0.586 5.033 4.470 -0.038 0.000 0.304 498 S C -0.660 173.994 174.600 0.091 0.000 1.108 498 S CA -0.922 57.346 58.200 0.113 0.000 0.944 498 S CB 1.958 65.211 63.200 0.088 0.000 1.127 498 S HN 0.502 nan 8.310 nan 0.000 0.511 499 N N 1.942 120.689 118.700 0.078 0.000 2.558 499 N HA 0.377 5.094 4.740 -0.038 0.000 0.242 499 N C -1.929 173.601 175.510 0.034 0.000 0.979 499 N CA -2.368 50.713 53.050 0.051 0.000 0.931 499 N CB 1.464 39.973 38.487 0.036 0.000 1.122 499 N HN 0.409 nan 8.380 nan 0.000 0.508 500 P HA -0.049 nan 4.420 nan 0.000 0.231 500 P C -0.045 177.264 177.300 0.015 0.000 1.158 500 P CA 1.066 64.182 63.100 0.027 0.000 0.763 500 P CB 0.498 32.218 31.700 0.034 0.000 0.805 501 E N -1.080 119.127 120.200 0.012 0.000 2.501 501 E HA 0.157 4.485 4.350 -0.038 0.000 0.201 501 E C 0.083 176.674 176.600 -0.014 0.000 1.016 501 E CA -0.119 56.283 56.400 0.002 0.000 0.920 501 E CB 0.483 30.189 29.700 0.010 0.000 1.023 501 E HN -0.025 nan 8.360 nan 0.000 0.474 502 S N 1.050 116.735 115.700 -0.025 0.000 2.659 502 S HA 0.368 4.815 4.470 -0.038 0.000 0.312 502 S C -1.017 173.543 174.600 -0.066 0.000 1.114 502 S CA -0.704 57.461 58.200 -0.058 0.000 1.063 502 S CB 0.475 63.627 63.200 -0.080 0.000 0.996 502 S HN -0.029 nan 8.310 nan 0.000 0.478 503 K N 2.852 123.210 120.400 -0.070 0.000 2.259 503 K HA 0.439 4.737 4.320 -0.038 0.000 0.249 503 K C -0.227 176.321 176.600 -0.087 0.000 0.942 503 K CA -1.068 55.180 56.287 -0.065 0.000 0.816 503 K CB 1.109 33.586 32.500 -0.039 0.000 1.155 503 K HN 0.742 nan 8.250 nan 0.000 0.428 504 N N 0.736 119.386 118.700 -0.083 0.000 2.364 504 N HA 0.034 4.751 4.740 -0.038 0.000 0.264 504 N C 0.744 176.223 175.510 -0.053 0.000 1.263 504 N CA -0.427 52.572 53.050 -0.086 0.000 0.959 504 N CB 0.311 38.753 38.487 -0.075 0.000 1.204 504 N HN 0.602 nan 8.380 nan 0.000 0.550 505 R N -0.651 119.824 120.500 -0.042 0.000 2.249 505 R HA -0.032 4.285 4.340 -0.038 0.000 0.230 505 R C 0.593 176.880 176.300 -0.022 0.000 1.121 505 R CA 1.250 57.333 56.100 -0.028 0.000 0.997 505 R CB -0.762 29.526 30.300 -0.020 0.000 0.867 505 R HN 0.578 nan 8.270 nan 0.000 0.465 506 L N 1.290 122.501 121.223 -0.020 0.000 2.685 506 L HA 0.153 4.470 4.340 -0.038 0.000 0.233 506 L C 0.280 177.141 176.870 -0.016 0.000 1.173 506 L CA -0.114 54.717 54.840 -0.016 0.000 0.961 506 L CB -0.658 41.394 42.059 -0.012 0.000 1.217 506 L HN 0.432 nan 8.230 nan 0.000 0.478 507 N N 2.156 120.844 118.700 -0.020 0.000 2.735 507 N HA -0.183 4.534 4.740 -0.038 0.000 0.248 507 N C -0.235 175.266 175.510 -0.016 0.000 1.083 507 N CA 0.650 53.689 53.050 -0.019 0.000 0.703 507 N CB -0.196 38.282 38.487 -0.014 0.000 1.005 507 N HN 0.751 nan 8.380 nan 0.000 0.550 508 E N -0.705 119.484 120.200 -0.018 0.000 2.222 508 E HA 0.584 4.911 4.350 -0.038 0.000 0.267 508 E C -2.928 173.663 176.600 -0.014 0.000 0.884 508 E CA -2.301 54.093 56.400 -0.010 0.000 0.764 508 E CB 1.424 31.121 29.700 -0.005 0.000 1.169 508 E HN -0.042 nan 8.360 nan 0.000 0.413 509 P HA -0.105 nan 4.420 nan 0.000 0.261 509 P C -0.016 177.288 177.300 0.007 0.000 1.183 509 P CA -0.076 63.025 63.100 0.000 0.000 0.761 509 P CB 0.378 32.090 31.700 0.020 0.000 0.785 510 V N 2.034 121.938 119.914 -0.016 0.000 2.999 510 V HA 0.664 4.761 4.120 -0.038 0.000 0.307 510 V C 0.618 176.797 176.094 0.143 0.000 1.084 510 V CA 0.353 62.656 62.300 0.005 0.000 1.155 510 V CB 0.179 31.899 31.823 -0.170 0.000 0.975 510 V HN 0.733 nan 8.190 nan 0.000 0.490 511 G N 1.928 110.869 108.800 0.236 0.000 2.608 511 G HA2 0.603 4.541 3.960 -0.038 0.000 0.291 511 G HA3 0.603 4.541 3.960 -0.038 0.000 0.291 511 G C -2.299 172.747 174.900 0.244 0.000 1.425 511 G CA -0.736 44.507 45.100 0.239 0.000 0.787 511 G HN 0.778 nan 8.290 nan 0.000 0.484 512 Y N -0.166 120.170 120.300 0.060 0.000 2.492 512 Y HA 0.618 5.145 4.550 -0.038 0.000 0.346 512 Y C 0.041 175.963 175.900 0.037 0.000 0.997 512 Y CA -0.810 57.304 58.100 0.024 0.000 1.025 512 Y CB 2.837 41.279 38.460 -0.029 0.000 1.263 512 Y HN 0.513 nan 8.280 nan 0.000 0.454 513 K N 4.498 124.951 120.400 0.087 0.000 2.274 513 K HA 0.522 4.820 4.320 -0.038 0.000 0.262 513 K C -1.623 174.948 176.600 -0.049 0.000 0.961 513 K CA -0.698 55.576 56.287 -0.022 0.000 0.833 513 K CB 1.012 33.425 32.500 -0.145 0.000 1.102 513 K HN 0.757 nan 8.250 nan 0.000 0.436 514 L N 5.116 126.328 121.223 -0.017 0.000 2.281 514 L HA 0.274 4.591 4.340 -0.038 0.000 0.285 514 L C -1.085 175.729 176.870 -0.092 0.000 1.074 514 L CA -0.281 54.586 54.840 0.045 0.000 0.817 514 L CB 0.329 42.446 42.059 0.097 0.000 1.168 514 L HN 0.735 nan 8.230 nan 0.000 0.434 515 H N 4.609 123.780 119.070 0.168 0.000 2.623 515 H HA 0.546 5.079 4.556 -0.038 0.000 0.299 515 H C 0.047 175.501 175.328 0.211 0.000 1.052 515 H CA -0.239 55.901 56.048 0.154 0.000 1.231 515 H CB 1.227 31.066 29.762 0.129 0.000 1.389 515 H HN 0.788 nan 8.280 nan 0.000 0.469 516 A N 2.247 125.251 122.820 0.307 0.000 2.286 516 A HA 0.163 4.460 4.320 -0.038 0.000 0.286 516 A C 0.468 178.335 177.584 0.471 0.000 1.097 516 A CA -0.508 51.752 52.037 0.371 0.000 0.821 516 A CB 0.405 19.679 19.000 0.458 0.000 1.076 516 A HN 1.003 nan 8.150 nan 0.000 0.490 517 H N 0.835 120.079 119.070 0.290 0.000 2.548 517 H HA -0.014 4.520 4.556 -0.038 0.000 0.268 517 H C -0.085 175.355 175.328 0.186 0.000 0.975 517 H CA 0.299 56.466 56.048 0.199 0.000 1.195 517 H CB 0.163 30.030 29.762 0.176 0.000 1.397 517 H HN 0.771 nan 8.280 nan 0.000 0.572 518 N N 1.809 120.725 118.700 0.360 0.000 2.754 518 N HA -0.167 4.550 4.740 -0.038 0.000 0.248 518 N C -0.534 175.100 175.510 0.207 0.000 1.093 518 N CA 0.525 53.735 53.050 0.266 0.000 0.699 518 N CB -0.945 37.660 38.487 0.197 0.000 1.016 518 N HN 0.524 nan 8.380 nan 0.000 0.552 519 Q N -0.081 119.855 119.800 0.226 0.000 2.443 519 Q HA 0.311 4.628 4.340 -0.038 0.000 0.232 519 Q C -1.835 174.235 176.000 0.117 0.000 1.026 519 Q CA -0.874 55.026 55.803 0.162 0.000 0.924 519 Q CB 0.169 29.012 28.738 0.175 0.000 1.256 519 Q HN 0.147 nan 8.270 nan 0.000 0.519 520 P HA 0.025 nan 4.420 nan 0.000 0.271 520 P C -0.267 177.040 177.300 0.012 0.000 1.218 520 P CA 0.096 63.222 63.100 0.043 0.000 0.780 520 P CB 0.515 32.231 31.700 0.026 0.000 0.901 521 T N -0.145 114.410 114.554 0.002 0.000 2.891 521 T HA 0.325 4.652 4.350 -0.038 0.000 0.294 521 T C 0.272 174.923 174.700 -0.082 0.000 1.065 521 T CA -0.885 61.191 62.100 -0.039 0.000 0.936 521 T CB 0.032 68.890 68.868 -0.018 0.000 1.415 521 T HN 0.174 nan 8.240 nan 0.000 0.572 522 L N 1.111 122.258 121.223 -0.126 0.000 2.628 522 L HA 0.144 4.462 4.340 -0.038 0.000 0.274 522 L C 0.876 177.700 176.870 -0.077 0.000 1.209 522 L CA 0.262 55.019 54.840 -0.137 0.000 0.930 522 L CB -0.449 41.503 42.059 -0.178 0.000 1.183 522 L HN 0.636 nan 8.230 nan 0.000 0.492 523 L N 5.036 126.218 121.223 -0.068 0.000 2.341 523 L HA 0.187 4.504 4.340 -0.038 0.000 0.214 523 L C 1.467 178.334 176.870 -0.006 0.000 1.115 523 L CA 0.256 55.081 54.840 -0.025 0.000 0.820 523 L CB -0.582 41.469 42.059 -0.014 0.000 0.944 523 L HN 0.829 nan 8.230 nan 0.000 0.452 524 A N 0.719 123.530 122.820 -0.015 0.000 2.547 524 A HA -0.114 4.183 4.320 -0.038 0.000 0.233 524 A C 0.358 177.952 177.584 0.017 0.000 1.067 524 A CA -0.073 51.970 52.037 0.010 0.000 0.763 524 A CB -0.080 18.927 19.000 0.012 0.000 1.007 524 A HN 0.292 nan 8.150 nan 0.000 0.506 525 D N 2.241 122.660 120.400 0.031 0.000 2.506 525 D HA -0.004 4.613 4.640 -0.038 0.000 0.234 525 D C -1.096 175.219 176.300 0.025 0.000 1.143 525 D CA -0.725 53.293 54.000 0.030 0.000 0.871 525 D CB 0.826 41.648 40.800 0.038 0.000 1.190 525 D HN 0.287 nan 8.370 nan 0.000 0.459 526 P HA -0.100 nan 4.420 nan 0.000 0.219 526 P C 1.048 178.359 177.300 0.019 0.000 1.146 526 P CA 0.954 64.065 63.100 0.017 0.000 0.808 526 P CB 0.084 31.793 31.700 0.015 0.000 0.779 527 G N -0.078 108.736 108.800 0.022 0.000 2.985 527 G HA2 0.019 3.956 3.960 -0.038 0.000 0.209 527 G HA3 0.019 3.956 3.960 -0.038 0.000 0.209 527 G C 0.646 175.563 174.900 0.028 0.000 1.165 527 G CA 0.128 45.241 45.100 0.021 0.000 0.776 527 G HN 0.451 nan 8.290 nan 0.000 0.541 528 S N -0.524 115.199 115.700 0.039 0.000 2.593 528 S HA 0.292 4.739 4.470 -0.038 0.000 0.269 528 S C 1.605 176.231 174.600 0.043 0.000 1.334 528 S CA 0.458 58.696 58.200 0.063 0.000 1.015 528 S CB 1.676 64.925 63.200 0.083 0.000 0.912 528 S HN 0.091 nan 8.310 nan 0.000 0.541 529 S N 0.903 116.629 115.700 0.044 0.000 2.356 529 S HA -0.151 4.297 4.470 -0.038 0.000 0.223 529 S C 1.700 176.305 174.600 0.009 0.000 1.032 529 S CA 1.224 59.389 58.200 -0.058 0.000 1.005 529 S CB -0.846 62.172 63.200 -0.305 0.000 0.867 529 S HN 0.731 nan 8.310 nan 0.000 0.449 530 I N 1.940 122.565 120.570 0.092 0.000 2.361 530 I HA -0.015 4.132 4.170 -0.038 0.000 0.251 530 I C 2.264 178.423 176.117 0.070 0.000 1.133 530 I CA 1.275 62.650 61.300 0.126 0.000 1.413 530 I CB -0.825 37.254 38.000 0.132 0.000 1.073 530 I HN 0.345 nan 8.210 nan 0.000 0.424 531 A N 0.388 123.230 122.820 0.038 0.000 1.929 531 A HA -0.149 4.149 4.320 -0.038 0.000 0.216 531 A C 2.430 180.028 177.584 0.023 0.000 1.176 531 A CA 1.405 53.449 52.037 0.012 0.000 0.628 531 A CB -0.519 18.488 19.000 0.013 0.000 0.816 531 A HN 0.448 nan 8.150 nan 0.000 0.444 532 R N -0.628 119.886 120.500 0.025 0.000 2.073 532 R HA -0.020 4.297 4.340 -0.038 0.000 0.229 532 R C 2.328 178.650 176.300 0.036 0.000 1.120 532 R CA 1.393 57.503 56.100 0.017 0.000 0.967 532 R CB -0.245 30.050 30.300 -0.009 0.000 0.862 532 R HN 0.459 nan 8.270 nan 0.000 0.436 533 R N 0.153 120.696 120.500 0.071 0.000 2.119 533 R HA 0.094 4.412 4.340 -0.038 0.000 0.222 533 R C 1.023 177.478 176.300 0.258 0.000 1.088 533 R CA 1.047 57.220 56.100 0.122 0.000 0.984 533 R CB 0.267 30.640 30.300 0.121 0.000 0.884 533 R HN 0.072 nan 8.270 nan 0.000 0.447 534 A N 0.336 123.309 122.820 0.255 0.000 2.911 534 A HA 0.495 4.792 4.320 -0.038 0.000 0.304 534 A C 1.251 178.803 177.584 -0.053 0.000 1.144 534 A CA -0.050 52.133 52.037 0.244 0.000 0.988 534 A CB 0.240 19.277 19.000 0.061 0.000 1.141 534 A HN 0.241 nan 8.150 nan 0.000 0.552 535 A N 0.334 123.171 122.820 0.029 0.000 1.986 535 A HA -0.110 4.188 4.320 -0.038 0.000 0.220 535 A C 1.798 179.402 177.584 0.032 0.000 1.171 535 A CA 1.887 53.934 52.037 0.017 0.000 0.640 535 A CB -0.997 18.025 19.000 0.036 0.000 0.811 535 A HN 1.389 nan 8.150 nan 0.000 0.451 536 F N -0.167 119.657 119.950 -0.211 0.000 2.202 536 F HA -0.009 4.495 4.527 -0.038 0.000 0.301 536 F C 2.046 177.916 175.800 0.117 0.000 1.082 536 F CA 0.844 58.633 58.000 -0.352 0.000 1.313 536 F CB -0.956 37.727 39.000 -0.527 0.000 1.024 536 F HN 0.153 nan 8.300 nan 0.000 0.495 537 A N 0.453 122.609 122.820 -1.107 0.000 2.209 537 A HA -0.022 4.275 4.320 -0.038 0.000 0.212 537 A C 2.122 179.537 177.584 -0.282 0.000 1.158 537 A CA 1.363 52.874 52.037 -0.877 0.000 0.742 537 A CB -1.481 16.857 19.000 -1.103 0.000 0.790 537 A HN 0.586 nan 8.150 nan 0.000 0.472 538 T N -3.601 110.900 114.554 -0.089 0.000 3.100 538 T HA 0.191 4.518 4.350 -0.038 0.000 0.253 538 T C 0.579 175.290 174.700 0.020 0.000 1.118 538 T CA 0.244 62.336 62.100 -0.014 0.000 1.058 538 T CB 0.091 68.973 68.868 0.023 0.000 0.953 538 T HN 0.091 nan 8.240 nan 0.000 0.515 539 K N 0.994 121.451 120.400 0.095 0.000 2.469 539 K HA 0.414 4.711 4.320 -0.038 0.000 0.254 539 K C -0.497 176.125 176.600 0.036 0.000 0.939 539 K CA -0.547 55.705 56.287 -0.059 0.000 0.812 539 K CB 2.104 34.312 32.500 -0.487 0.000 1.301 539 K HN -0.047 nan 8.250 nan 0.000 0.433 540 D N 0.283 120.665 120.400 -0.030 0.000 2.194 540 D HA 0.006 4.624 4.640 -0.038 0.000 0.204 540 D C -0.002 176.312 176.300 0.022 0.000 0.964 540 D CA 0.685 54.717 54.000 0.054 0.000 0.846 540 D CB 0.340 41.228 40.800 0.146 0.000 0.962 540 D HN 0.129 nan 8.370 nan 0.000 0.490 541 L N -0.166 120.896 121.223 -0.268 0.000 2.464 541 L HA 0.461 4.779 4.340 -0.038 0.000 0.266 541 L C -2.001 174.705 176.870 -0.274 0.000 0.965 541 L CA -0.632 54.020 54.840 -0.313 0.000 0.833 541 L CB 1.490 42.890 42.059 -1.099 0.000 1.296 541 L HN -0.129 nan 8.230 nan 0.000 0.405 542 W N 4.297 125.583 121.300 -0.023 0.000 2.819 542 W HA 0.762 5.399 4.660 -0.038 0.000 0.337 542 W C -1.170 175.470 176.519 0.200 0.000 1.077 542 W CA -0.826 56.553 57.345 0.057 0.000 1.226 542 W CB 2.025 31.500 29.460 0.025 0.000 1.419 542 W HN 0.149 nan 8.180 nan 0.000 0.502 543 V N 2.702 122.843 119.914 0.379 0.000 2.483 543 V HA 0.690 4.788 4.120 -0.038 0.000 0.297 543 V C -0.121 176.180 176.094 0.346 0.000 1.027 543 V CA -0.815 61.688 62.300 0.338 0.000 0.855 543 V CB 1.366 33.300 31.823 0.185 0.000 0.995 543 V HN 0.590 nan 8.190 nan 0.000 0.424 544 T N 1.527 116.336 114.554 0.425 0.000 2.916 544 T HA 0.751 5.078 4.350 -0.038 0.000 0.292 544 T C -0.444 174.407 174.700 0.251 0.000 1.055 544 T CA -0.964 61.342 62.100 0.343 0.000 1.009 544 T CB 2.142 71.278 68.868 0.448 0.000 1.118 544 T HN 0.506 nan 8.240 nan 0.000 0.497 545 R N 0.948 121.550 120.500 0.170 0.000 2.438 545 R HA 0.314 4.632 4.340 -0.038 0.000 0.287 545 R C -0.785 175.584 176.300 0.114 0.000 1.077 545 R CA -0.837 55.341 56.100 0.131 0.000 1.034 545 R CB -0.534 29.817 30.300 0.084 0.000 0.993 545 R HN 0.782 nan 8.270 nan 0.000 0.459 546 Y N 3.034 123.341 120.300 0.012 0.000 2.597 546 Y HA 0.334 4.861 4.550 -0.038 0.000 0.336 546 Y C -0.764 175.091 175.900 -0.075 0.000 1.216 546 Y CA 0.709 58.785 58.100 -0.040 0.000 1.463 546 Y CB 0.573 38.984 38.460 -0.082 0.000 1.303 546 Y HN 0.741 nan 8.280 nan 0.000 0.576 547 A N 4.768 126.897 122.820 -1.152 0.000 2.488 547 A HA 0.270 4.567 4.320 -0.038 0.000 0.295 547 A C -0.002 176.917 177.584 -1.107 0.000 1.045 547 A CA -0.295 51.211 52.037 -0.884 0.000 0.703 547 A CB 0.540 19.252 19.000 -0.480 0.000 1.271 547 A HN 0.829 nan 8.150 nan 0.000 0.400 548 D N 1.630 121.574 120.400 -0.760 0.000 2.263 548 D HA -0.183 4.435 4.640 -0.038 0.000 0.208 548 D C 0.591 176.710 176.300 -0.302 0.000 0.971 548 D CA 1.668 55.425 54.000 -0.404 0.000 0.867 548 D CB 0.003 40.737 40.800 -0.110 0.000 0.929 548 D HN 0.570 nan 8.370 nan 0.000 0.492 549 D N -0.071 120.140 120.400 -0.314 0.000 2.349 549 D HA -0.043 4.575 4.640 -0.038 0.000 0.214 549 D C -0.226 175.883 176.300 -0.319 0.000 1.063 549 D CA -0.159 53.697 54.000 -0.240 0.000 0.847 549 D CB -0.550 40.151 40.800 -0.165 0.000 0.933 549 D HN 0.263 nan 8.370 nan 0.000 0.513 550 E N 0.748 120.670 120.200 -0.463 0.000 2.261 550 E HA 0.330 4.657 4.350 -0.038 0.000 0.239 550 E C 0.451 176.904 176.600 -0.246 0.000 0.991 550 E CA -0.259 55.774 56.400 -0.611 0.000 0.847 550 E CB 1.133 30.203 29.700 -1.051 0.000 1.223 550 E HN 0.092 nan 8.360 nan 0.000 0.446 551 R N 0.994 121.330 120.500 -0.273 0.000 2.195 551 R HA 0.120 4.437 4.340 -0.038 0.000 0.197 551 R C -0.155 175.845 176.300 -0.500 0.000 0.990 551 R CA 0.585 56.368 56.100 -0.529 0.000 1.048 551 R CB 0.539 30.202 30.300 -1.062 0.000 0.997 551 R HN 0.290 nan 8.270 nan 0.000 0.502 552 Y N 0.168 120.602 120.300 0.222 0.000 2.409 552 Y HA 0.296 4.824 4.550 -0.037 0.000 0.343 552 Y C -1.774 174.099 175.900 -0.046 0.000 0.973 552 Y CA -3.226 54.946 58.100 0.120 0.000 1.064 552 Y CB 1.328 39.751 38.460 -0.063 0.000 1.207 552 Y HN -0.158 nan 8.280 nan 0.000 0.452 553 P HA -0.108 nan 4.420 nan 0.000 0.225 553 P C 0.685 177.673 177.300 -0.521 0.000 1.148 553 P CA 1.555 64.276 63.100 -0.631 0.000 0.779 553 P CB 0.173 31.422 31.700 -0.751 0.000 0.780 554 T N -4.874 109.499 114.554 -0.301 0.000 3.054 554 T HA 0.508 4.835 4.350 -0.038 0.000 0.255 554 T C 0.892 175.453 174.700 -0.232 0.000 1.035 554 T CA 0.109 62.087 62.100 -0.204 0.000 0.941 554 T CB -0.013 68.810 68.868 -0.075 0.000 1.026 554 T HN 0.344 nan 8.240 nan 0.000 0.533 555 G N 1.261 109.959 108.800 -0.170 0.000 2.712 555 G HA2 -0.141 3.796 3.960 -0.038 0.000 0.683 555 G HA3 -0.141 3.796 3.960 -0.038 0.000 0.683 555 G C -0.250 174.584 174.900 -0.110 0.000 1.320 555 G CA -0.144 44.868 45.100 -0.146 0.000 0.847 555 G HN 0.125 nan 8.290 nan 0.000 0.553 556 D N -0.578 119.690 120.400 -0.219 0.000 2.149 556 D HA 0.039 4.657 4.640 -0.038 0.000 0.201 556 D C 0.891 176.673 176.300 -0.862 0.000 0.972 556 D CA 1.502 55.200 54.000 -0.504 0.000 0.835 556 D CB -0.009 40.304 40.800 -0.812 0.000 0.966 556 D HN 0.217 nan 8.370 nan 0.000 0.476 557 F N 0.506 120.315 119.950 -0.236 0.000 2.363 557 F HA 0.207 4.711 4.527 -0.038 0.000 0.366 557 F C 1.160 176.809 175.800 -0.252 0.000 1.083 557 F CA -0.599 57.236 58.000 -0.275 0.000 1.176 557 F CB 1.114 39.934 39.000 -0.301 0.000 1.432 557 F HN -0.347 nan 8.300 nan 0.000 0.482 558 V N 0.075 119.887 119.914 -0.170 0.000 2.379 558 V HA -0.201 3.896 4.120 -0.038 0.000 0.245 558 V C 1.318 177.258 176.094 -0.257 0.000 1.044 558 V CA 0.815 62.945 62.300 -0.284 0.000 1.036 558 V CB -0.506 31.074 31.823 -0.404 0.000 0.664 558 V HN 0.666 nan 8.190 nan 0.000 0.453 559 N N 1.431 120.027 118.700 -0.174 0.000 2.315 559 N HA -0.111 4.606 4.740 -0.038 0.000 0.270 559 N C 0.547 175.986 175.510 -0.118 0.000 1.329 559 N CA 0.789 53.752 53.050 -0.146 0.000 0.860 559 N CB -0.334 38.078 38.487 -0.124 0.000 1.095 559 N HN 0.514 nan 8.380 nan 0.000 0.487 560 Q N -0.232 119.491 119.800 -0.128 0.000 2.480 560 Q HA -0.314 4.004 4.340 -0.038 0.000 0.265 560 Q C -0.549 175.376 176.000 -0.125 0.000 1.072 560 Q CA 0.802 56.531 55.803 -0.123 0.000 1.018 560 Q CB -1.673 26.997 28.738 -0.113 0.000 1.433 560 Q HN 0.702 nan 8.270 nan 0.000 0.513 561 H N 0.143 119.101 119.070 -0.187 0.000 2.582 561 H HA 0.183 4.717 4.556 -0.038 0.000 0.345 561 H C 1.289 176.516 175.328 -0.168 0.000 1.104 561 H CA 0.778 56.730 56.048 -0.160 0.000 1.390 561 H CB 1.134 30.802 29.762 -0.156 0.000 1.461 561 H HN 0.294 nan 8.280 nan 0.000 0.551 562 S N 2.705 117.942 115.700 -0.771 0.000 2.442 562 S HA 0.095 4.542 4.470 -0.038 0.000 0.236 562 S C 0.982 175.420 174.600 -0.269 0.000 1.007 562 S CA 0.502 58.428 58.200 -0.458 0.000 0.965 562 S CB 0.054 63.011 63.200 -0.405 0.000 0.773 562 S HN 1.030 nan 8.310 nan 0.000 0.504 563 G N -1.458 107.264 108.800 -0.130 0.000 2.334 563 G HA2 0.485 4.423 3.960 -0.038 0.000 0.566 563 G HA3 0.485 4.423 3.960 -0.038 0.000 0.566 563 G C 0.389 175.347 174.900 0.098 0.000 1.413 563 G CA -0.061 45.058 45.100 0.030 0.000 0.993 563 G HN 1.464 nan 8.290 nan 0.000 0.642 564 G N -1.324 107.496 108.800 0.034 0.000 2.179 564 G HA2 0.210 4.148 3.960 -0.038 0.000 0.260 564 G HA3 0.210 4.148 3.960 -0.038 0.000 0.260 564 G C 1.158 176.002 174.900 -0.093 0.000 0.977 564 G CA 1.454 46.545 45.100 -0.016 0.000 0.641 564 G HN 2.514 nan 8.290 nan 0.000 0.533 565 A N -0.334 122.410 122.820 -0.126 0.000 2.327 565 A HA 0.862 5.159 4.320 -0.038 0.000 0.255 565 A C 1.948 179.265 177.584 -0.444 0.000 1.099 565 A CA 1.699 53.544 52.037 -0.320 0.000 0.801 565 A CB 0.042 18.707 19.000 -0.558 0.000 1.062 565 A HN 2.451 nan 8.150 nan 0.000 0.496 566 G N -1.128 107.290 108.800 -0.637 0.000 2.528 566 G HA2 -0.243 3.694 3.960 -0.038 0.000 0.262 566 G HA3 -0.243 3.694 3.960 -0.038 0.000 0.262 566 G C 0.894 174.810 174.900 -1.640 0.000 1.200 566 G CA 0.333 44.773 45.100 -1.101 0.000 0.951 566 G HN 1.198 nan 8.290 nan 0.000 0.566 567 L N 2.029 122.440 121.223 -1.354 0.000 2.011 567 L HA -0.173 4.144 4.340 -0.038 0.000 0.225 567 L C 0.741 177.189 176.870 -0.704 0.000 1.084 567 L CA 3.009 57.133 54.840 -1.195 0.000 0.791 567 L CB -1.578 39.547 42.059 -1.557 0.000 0.898 567 L HN 0.576 nan 8.230 nan 0.000 0.440 568 P HA -0.149 nan 4.420 nan 0.000 0.219 568 P C 1.651 178.871 177.300 -0.134 0.000 1.146 568 P CA 1.572 64.585 63.100 -0.145 0.000 0.808 568 P CB 0.120 31.775 31.700 -0.074 0.000 0.779 569 S N -1.633 113.902 115.700 -0.274 0.000 2.377 569 S HA -0.085 4.362 4.470 -0.038 0.000 0.223 569 S C 1.904 176.505 174.600 0.001 0.000 1.030 569 S CA 0.485 58.599 58.200 -0.144 0.000 0.970 569 S CB -0.747 62.342 63.200 -0.185 0.000 0.830 569 S HN -0.053 nan 8.310 nan 0.000 0.473 570 Y N 1.992 122.216 120.300 -0.126 0.000 2.097 570 Y HA -0.029 4.499 4.550 -0.038 0.000 0.282 570 Y C 2.373 178.250 175.900 -0.038 0.000 1.152 570 Y CA 0.010 58.048 58.100 -0.103 0.000 1.136 570 Y CB -1.152 37.204 38.460 -0.173 0.000 0.975 570 Y HN 0.229 nan 8.280 nan 0.000 0.498 571 I N 0.145 120.796 120.570 0.134 0.000 2.335 571 I HA -0.283 3.864 4.170 -0.038 0.000 0.251 571 I C 2.424 178.601 176.117 0.101 0.000 1.129 571 I CA 1.494 62.878 61.300 0.140 0.000 1.402 571 I CB -1.582 36.541 38.000 0.205 0.000 1.069 571 I HN 0.156 nan 8.210 nan 0.000 0.424 572 A N 0.035 122.899 122.820 0.074 0.000 2.125 572 A HA -0.208 4.089 4.320 -0.038 0.000 0.219 572 A C 2.157 179.773 177.584 0.053 0.000 1.156 572 A CA 1.061 53.130 52.037 0.054 0.000 0.671 572 A CB -0.520 18.502 19.000 0.035 0.000 0.794 572 A HN 0.539 nan 8.150 nan 0.000 0.459 573 Q N -1.400 118.438 119.800 0.063 0.000 2.230 573 Q HA -0.100 4.218 4.340 -0.038 0.000 0.202 573 Q C 0.181 176.210 176.000 0.048 0.000 0.963 573 Q CA 0.577 56.410 55.803 0.050 0.000 0.866 573 Q CB -0.014 28.754 28.738 0.049 0.000 0.931 573 Q HN 0.608 nan 8.270 nan 0.000 0.452 574 D N 0.468 120.904 120.400 0.060 0.000 2.699 574 D HA -0.161 4.456 4.640 -0.038 0.000 0.239 574 D C -0.908 175.423 176.300 0.053 0.000 1.136 574 D CA 0.562 54.595 54.000 0.056 0.000 0.668 574 D CB -0.617 40.210 40.800 0.044 0.000 1.060 574 D HN 0.202 nan 8.370 nan 0.000 0.429 575 R N 0.184 120.719 120.500 0.059 0.000 2.649 575 R HA 0.385 4.703 4.340 -0.038 0.000 0.270 575 R C 0.202 176.538 176.300 0.060 0.000 1.105 575 R CA -0.492 55.640 56.100 0.054 0.000 1.193 575 R CB 0.362 30.693 30.300 0.052 0.000 1.120 575 R HN 0.169 nan 8.270 nan 0.000 0.561 576 D N 1.129 121.562 120.400 0.055 0.000 2.312 576 D HA 0.095 4.713 4.640 -0.038 0.000 0.252 576 D C 0.406 176.748 176.300 0.070 0.000 1.150 576 D CA -0.198 53.836 54.000 0.057 0.000 0.870 576 D CB 0.639 41.468 40.800 0.048 0.000 1.153 576 D HN 0.525 nan 8.370 nan 0.000 0.457 577 I N -0.155 120.461 120.570 0.077 0.000 4.147 577 I HA 0.347 4.495 4.170 -0.038 0.000 0.329 577 I C 0.256 176.424 176.117 0.085 0.000 1.424 577 I CA -0.485 60.870 61.300 0.091 0.000 1.127 577 I CB 0.464 38.529 38.000 0.109 0.000 1.128 577 I HN 0.096 nan 8.210 nan 0.000 0.417 578 D N 3.088 123.531 120.400 0.072 0.000 2.453 578 D HA 0.329 4.947 4.640 -0.038 0.000 0.223 578 D C 1.101 177.439 176.300 0.063 0.000 1.183 578 D CA 0.630 54.670 54.000 0.067 0.000 0.933 578 D CB 0.276 41.110 40.800 0.057 0.000 1.038 578 D HN 0.551 nan 8.370 nan 0.000 0.513 579 G N 3.232 112.074 108.800 0.070 0.000 2.303 579 G HA2 -0.181 3.756 3.960 -0.038 0.000 0.260 579 G HA3 -0.181 3.756 3.960 -0.038 0.000 0.260 579 G C -0.088 174.855 174.900 0.072 0.000 1.106 579 G CA -0.303 44.837 45.100 0.066 0.000 0.900 579 G HN 0.489 nan 8.290 nan 0.000 0.495 580 Q N -0.716 119.135 119.800 0.085 0.000 2.683 580 Q HA 0.408 4.725 4.340 -0.038 0.000 0.302 580 Q C -0.930 175.138 176.000 0.113 0.000 1.042 580 Q CA -0.921 54.936 55.803 0.089 0.000 0.773 580 Q CB 1.080 29.868 28.738 0.082 0.000 1.508 580 Q HN 0.247 nan 8.270 nan 0.000 0.459 581 D N 1.811 122.276 120.400 0.108 0.000 2.338 581 D HA 0.307 4.924 4.640 -0.038 0.000 0.255 581 D C -0.395 175.996 176.300 0.151 0.000 1.237 581 D CA 0.084 54.155 54.000 0.118 0.000 0.883 581 D CB -0.170 40.619 40.800 -0.017 0.000 1.087 581 D HN 0.439 nan 8.370 nan 0.000 0.485 582 I N 0.067 120.733 120.570 0.161 0.000 3.002 582 I HA 0.689 4.836 4.170 -0.038 0.000 0.310 582 I C -1.070 175.124 176.117 0.127 0.000 1.087 582 I CA -1.080 60.314 61.300 0.157 0.000 1.017 582 I CB 2.259 40.343 38.000 0.139 0.000 1.226 582 I HN -0.058 nan 8.210 nan 0.000 0.443 583 V N 3.450 123.431 119.914 0.112 0.000 2.638 583 V HA 0.422 4.520 4.120 -0.038 0.000 0.306 583 V C -0.265 175.792 176.094 -0.063 0.000 1.052 583 V CA -0.657 61.610 62.300 -0.055 0.000 0.885 583 V CB 1.983 33.706 31.823 -0.166 0.000 0.999 583 V HN 0.566 nan 8.190 nan 0.000 0.424 584 V N 3.744 123.566 119.914 -0.152 0.000 2.427 584 V HA 0.467 4.564 4.120 -0.038 0.000 0.286 584 V C -1.140 174.881 176.094 -0.121 0.000 1.034 584 V CA -0.457 61.832 62.300 -0.019 0.000 0.893 584 V CB 1.627 33.447 31.823 -0.005 0.000 0.982 584 V HN 0.920 nan 8.190 nan 0.000 0.452 585 W N 4.115 125.474 121.300 0.097 0.000 2.336 585 W HA 0.498 5.135 4.660 -0.038 0.000 0.315 585 W C -0.156 176.473 176.519 0.183 0.000 1.016 585 W CA -0.645 56.762 57.345 0.103 0.000 1.318 585 W CB 0.463 29.957 29.460 0.056 0.000 1.247 585 W HN 0.591 nan 8.180 nan 0.000 0.414 586 H N 1.684 120.848 119.070 0.157 0.000 2.519 586 H HA 0.492 5.025 4.556 -0.037 0.000 0.316 586 H C -0.308 175.205 175.328 0.310 0.000 1.065 586 H CA -0.194 55.906 56.048 0.086 0.000 1.264 586 H CB 1.011 30.610 29.762 -0.272 0.000 1.413 586 H HN 0.166 nan 8.280 nan 0.000 0.465 587 T N 7.464 122.006 114.554 -0.020 0.000 2.771 587 T HA 0.412 4.739 4.350 -0.038 0.000 0.291 587 T C -1.041 173.545 174.700 -0.189 0.000 0.954 587 T CA -0.247 61.859 62.100 0.011 0.000 1.045 587 T CB -0.411 68.552 68.868 0.158 0.000 0.917 587 T HN 0.495 nan 8.240 nan 0.000 0.484 588 F N 0.172 120.000 119.950 -0.203 0.000 2.615 588 F HA 0.837 5.342 4.527 -0.037 0.000 0.312 588 F C -0.260 175.617 175.800 0.130 0.000 1.119 588 F CA -1.145 56.797 58.000 -0.097 0.000 0.979 588 F CB 1.028 39.950 39.000 -0.130 0.000 1.266 588 F HN 0.768 nan 8.300 nan 0.000 0.444 589 G N 1.893 110.775 108.800 0.137 0.000 2.600 589 G HA2 0.592 4.530 3.960 -0.038 0.000 0.293 589 G HA3 0.592 4.530 3.960 -0.038 0.000 0.293 589 G C -2.413 172.531 174.900 0.073 0.000 1.408 589 G CA -1.178 43.990 45.100 0.115 0.000 0.782 589 G HN 0.823 nan 8.290 nan 0.000 0.482 590 L N 0.770 121.987 121.223 -0.010 0.000 2.295 590 L HA 0.502 4.819 4.340 -0.038 0.000 0.285 590 L C -0.002 176.683 176.870 -0.308 0.000 1.035 590 L CA -0.604 54.143 54.840 -0.156 0.000 0.806 590 L CB 2.035 43.894 42.059 -0.333 0.000 1.214 590 L HN 0.388 nan 8.230 nan 0.000 0.426 591 T N 1.449 115.855 114.554 -0.246 0.000 2.738 591 T HA 0.292 4.620 4.350 -0.038 0.000 0.298 591 T C -0.409 174.042 174.700 -0.415 0.000 0.962 591 T CA -0.284 61.594 62.100 -0.370 0.000 0.972 591 T CB -0.083 68.624 68.868 -0.269 0.000 0.928 591 T HN 0.396 nan 8.240 nan 0.000 0.474 592 H N 2.334 120.980 119.070 -0.706 0.000 2.519 592 H HA 0.337 4.870 4.556 -0.038 0.000 0.316 592 H C -0.877 173.932 175.328 -0.865 0.000 1.065 592 H CA -0.841 54.800 56.048 -0.678 0.000 1.264 592 H CB 0.715 30.017 29.762 -0.767 0.000 1.413 592 H HN 0.470 nan 8.280 nan 0.000 0.465 593 F N 4.324 124.149 119.950 -0.208 0.000 2.451 593 F HA 0.260 4.763 4.527 -0.039 0.000 0.367 593 F C -2.115 173.643 175.800 -0.069 0.000 1.100 593 F CA -2.551 55.242 58.000 -0.345 0.000 1.171 593 F CB 0.704 39.357 39.000 -0.578 0.000 1.405 593 F HN 0.416 nan 8.300 nan 0.000 0.482 594 P HA 0.055 nan 4.420 nan 0.000 0.263 594 P C -0.289 177.093 177.300 0.137 0.000 1.175 594 P CA 0.217 63.402 63.100 0.141 0.000 0.761 594 P CB 0.612 32.456 31.700 0.240 0.000 0.794 595 R N 1.657 122.205 120.500 0.079 0.000 2.691 595 R HA 0.352 4.670 4.340 -0.038 0.000 0.259 595 R C 1.156 177.507 176.300 0.086 0.000 1.048 595 R CA -1.023 55.117 56.100 0.067 0.000 1.086 595 R CB 0.318 30.641 30.300 0.039 0.000 1.166 595 R HN 0.090 nan 8.270 nan 0.000 0.526 596 V N 1.235 121.189 119.914 0.067 0.000 2.490 596 V HA -0.212 3.885 4.120 -0.038 0.000 0.250 596 V C 1.399 177.568 176.094 0.125 0.000 1.061 596 V CA 1.840 64.197 62.300 0.095 0.000 1.064 596 V CB -0.602 31.254 31.823 0.054 0.000 0.670 596 V HN 0.693 nan 8.190 nan 0.000 0.461 597 E N -0.098 120.147 120.200 0.075 0.000 2.418 597 E HA -0.133 4.195 4.350 -0.038 0.000 0.197 597 E C 1.611 178.239 176.600 0.047 0.000 1.026 597 E CA 0.701 57.133 56.400 0.052 0.000 0.862 597 E CB -0.186 29.527 29.700 0.023 0.000 0.799 597 E HN 0.575 nan 8.360 nan 0.000 0.518 598 D N -0.878 119.570 120.400 0.079 0.000 2.355 598 D HA -0.069 4.548 4.640 -0.038 0.000 0.218 598 D C -0.208 176.167 176.300 0.124 0.000 1.004 598 D CA 0.287 54.327 54.000 0.066 0.000 0.880 598 D CB 0.147 40.985 40.800 0.064 0.000 0.911 598 D HN 0.211 nan 8.370 nan 0.000 0.528 599 W N 2.400 123.699 121.300 -0.003 0.000 2.551 599 W HA 0.197 4.834 4.660 -0.039 0.000 0.330 599 W C -1.858 174.682 176.519 0.035 0.000 1.063 599 W CA -1.975 55.382 57.345 0.020 0.000 1.222 599 W CB 2.017 31.494 29.460 0.028 0.000 1.349 599 W HN -0.187 nan 8.180 nan 0.000 0.536 600 P HA 0.072 nan 4.420 nan 0.000 0.231 600 P C 0.066 176.838 177.300 -0.879 0.000 1.168 600 P CA 0.913 63.054 63.100 -1.598 0.000 0.779 600 P CB 1.450 32.666 31.700 -0.807 0.000 0.844 601 I N -0.233 120.028 120.570 -0.515 0.000 2.569 601 I HA 0.307 4.455 4.170 -0.038 0.000 0.290 601 I C -0.527 175.414 176.117 -0.293 0.000 1.088 601 I CA -1.646 59.359 61.300 -0.491 0.000 1.047 601 I CB 2.567 40.043 38.000 -0.873 0.000 1.237 601 I HN -0.268 nan 8.210 nan 0.000 0.421 602 M N 10.530 130.002 119.600 -0.213 0.000 2.227 602 M HA 0.362 4.820 4.480 -0.038 0.000 0.349 602 M C -2.317 173.913 176.300 -0.116 0.000 1.443 602 M CA -1.176 54.051 55.300 -0.121 0.000 1.110 602 M CB 0.598 33.146 32.600 -0.086 0.000 1.773 602 M HN 0.274 nan 8.290 nan 0.000 0.463 603 P HA 0.074 nan 4.420 nan 0.000 0.275 603 P C -0.708 176.569 177.300 -0.038 0.000 1.228 603 P CA -0.372 62.688 63.100 -0.066 0.000 0.786 603 P CB 0.665 32.335 31.700 -0.050 0.000 0.927 604 V N 3.018 122.921 119.914 -0.019 0.000 2.681 604 V HA -0.095 4.003 4.120 -0.038 0.000 0.306 604 V C 0.833 176.934 176.094 0.012 0.000 1.077 604 V CA 1.200 63.507 62.300 0.012 0.000 1.224 604 V CB -0.487 31.354 31.823 0.030 0.000 0.879 604 V HN 0.659 nan 8.190 nan 0.000 0.494 605 D N 2.666 123.087 120.400 0.035 0.000 2.433 605 D HA 0.713 5.330 4.640 -0.038 0.000 0.236 605 D C -0.212 176.110 176.300 0.037 0.000 1.026 605 D CA -0.184 53.851 54.000 0.058 0.000 0.884 605 D CB 2.223 43.107 40.800 0.140 0.000 1.384 605 D HN 0.730 nan 8.370 nan 0.000 0.477 606 T N -1.205 113.365 114.554 0.026 0.000 2.906 606 T HA 0.808 5.136 4.350 -0.038 0.000 0.295 606 T C -0.575 174.142 174.700 0.028 0.000 1.075 606 T CA -0.670 61.417 62.100 -0.022 0.000 1.005 606 T CB 1.228 70.061 68.868 -0.059 0.000 1.136 606 T HN 0.277 nan 8.240 nan 0.000 0.498 607 V N -1.496 118.402 119.914 -0.026 0.000 3.216 607 V HA 1.024 5.121 4.120 -0.038 0.000 0.302 607 V C 0.322 176.341 176.094 -0.124 0.000 1.286 607 V CA -0.284 62.062 62.300 0.077 0.000 1.048 607 V CB 1.206 33.135 31.823 0.177 0.000 1.081 607 V HN 1.606 nan 8.190 nan 0.000 0.442 608 G N 0.433 108.992 108.800 -0.401 0.000 2.364 608 G HA2 0.832 4.769 3.960 -0.038 0.000 0.286 608 G HA3 0.832 4.769 3.960 -0.038 0.000 0.286 608 G C -1.654 172.612 174.900 -1.057 0.000 1.241 608 G CA 0.220 44.876 45.100 -0.740 0.000 0.887 608 G HN 2.062 nan 8.290 nan 0.000 0.484 609 F N -1.229 118.303 119.950 -0.697 0.000 2.900 609 F HA 0.844 5.348 4.527 -0.038 0.000 0.321 609 F C -1.132 174.617 175.800 -0.084 0.000 1.160 609 F CA -0.928 56.860 58.000 -0.353 0.000 0.890 609 F CB 1.397 40.197 39.000 -0.333 0.000 1.334 609 F HN 0.871 nan 8.300 nan 0.000 0.459 610 K N 0.831 121.355 120.400 0.206 0.000 2.579 610 K HA 0.826 5.123 4.320 -0.038 0.000 0.284 610 K C -2.515 174.307 176.600 0.369 0.000 0.990 610 K CA -1.058 55.334 56.287 0.176 0.000 0.880 610 K CB 2.569 35.154 32.500 0.142 0.000 1.488 610 K HN 0.738 nan 8.250 nan 0.000 0.425 611 L N 1.372 122.818 121.223 0.371 0.000 2.385 611 L HA 0.576 4.894 4.340 -0.038 0.000 0.273 611 L C -0.642 176.498 176.870 0.449 0.000 0.990 611 L CA -0.568 54.523 54.840 0.419 0.000 0.821 611 L CB 2.107 44.433 42.059 0.446 0.000 1.279 611 L HN 0.571 nan 8.230 nan 0.000 0.412 612 R N 3.133 123.821 120.500 0.314 0.000 2.637 612 R HA 0.551 4.869 4.340 -0.038 0.000 0.291 612 R C -2.553 173.510 176.300 -0.395 0.000 0.963 612 R CA -1.910 54.248 56.100 0.097 0.000 0.901 612 R CB 1.620 32.014 30.300 0.156 0.000 1.160 612 R HN 0.305 nan 8.270 nan 0.000 0.457 613 P HA -0.050 nan 4.420 nan 0.000 0.266 613 P C -0.735 176.344 177.300 -0.368 0.000 1.195 613 P CA 0.197 62.646 63.100 -1.086 0.000 0.768 613 P CB 0.767 32.226 31.700 -0.402 0.000 0.838 614 E N 1.993 122.048 120.200 -0.241 0.000 2.873 614 E HA 0.435 4.763 4.350 -0.038 0.000 0.232 614 E C 0.668 177.278 176.600 0.016 0.000 1.123 614 E CA -0.406 55.962 56.400 -0.054 0.000 0.809 614 E CB -0.648 29.038 29.700 -0.024 0.000 1.366 614 E HN 0.672 nan 8.360 nan 0.000 0.400 615 G N 3.253 112.075 108.800 0.037 0.000 2.176 615 G HA2 -0.358 3.580 3.960 -0.038 0.000 0.252 615 G HA3 -0.358 3.580 3.960 -0.038 0.000 0.252 615 G C 0.451 175.375 174.900 0.040 0.000 1.024 615 G CA 0.445 45.569 45.100 0.041 0.000 0.755 615 G HN 0.539 nan 8.290 nan 0.000 0.507 616 F N 0.001 119.873 119.950 -0.131 0.000 2.179 616 F HA 0.490 4.994 4.527 -0.037 0.000 0.292 616 F C 1.375 176.955 175.800 -0.367 0.000 1.089 616 F CA 0.523 58.359 58.000 -0.273 0.000 1.295 616 F CB 0.049 38.802 39.000 -0.412 0.000 1.041 616 F HN 0.108 nan 8.300 nan 0.000 0.487 617 F N 0.459 120.436 119.950 0.045 0.000 2.375 617 F HA 0.224 4.729 4.527 -0.038 0.000 0.317 617 F C 1.412 177.175 175.800 -0.062 0.000 1.124 617 F CA -0.617 57.356 58.000 -0.046 0.000 1.050 617 F CB 0.201 39.187 39.000 -0.024 0.000 1.314 617 F HN -0.268 nan 8.300 nan 0.000 0.511 618 D N -0.325 120.169 120.400 0.157 0.000 2.350 618 D HA 0.093 4.711 4.640 -0.038 0.000 0.213 618 D C 0.285 176.618 176.300 0.055 0.000 1.031 618 D CA 0.529 54.566 54.000 0.062 0.000 0.861 618 D CB 0.340 41.158 40.800 0.031 0.000 0.926 618 D HN 0.500 nan 8.370 nan 0.000 0.520 619 R N -2.047 118.498 120.500 0.075 0.000 2.832 619 R HA 0.195 4.513 4.340 -0.038 0.000 0.283 619 R C -0.786 175.502 176.300 -0.020 0.000 0.998 619 R CA -0.741 55.371 56.100 0.021 0.000 0.843 619 R CB 0.308 30.608 30.300 0.001 0.000 1.332 619 R HN -0.159 nan 8.270 nan 0.000 0.490 620 S N 0.442 116.106 115.700 -0.059 0.000 2.563 620 S HA 0.111 4.559 4.470 -0.038 0.000 0.294 620 S C -1.625 172.858 174.600 -0.195 0.000 1.279 620 S CA -0.710 57.417 58.200 -0.122 0.000 1.069 620 S CB 0.460 63.617 63.200 -0.071 0.000 0.828 620 S HN 0.461 nan 8.310 nan 0.000 0.497 621 P HA 0.110 nan 4.420 nan 0.000 0.249 621 P C 0.462 177.657 177.300 -0.176 0.000 1.229 621 P CA 0.121 62.943 63.100 -0.465 0.000 0.788 621 P CB -0.019 30.958 31.700 -1.205 0.000 1.072 622 V N -4.424 115.424 119.914 -0.109 0.000 3.121 622 V HA 0.225 4.322 4.120 -0.038 0.000 0.344 622 V C 1.361 177.475 176.094 0.032 0.000 1.390 622 V CA 0.047 62.340 62.300 -0.012 0.000 1.177 622 V CB -1.045 30.793 31.823 0.025 0.000 1.163 622 V HN -0.041 nan 8.190 nan 0.000 0.484 623 L N 1.372 122.604 121.223 0.015 0.000 2.291 623 L HA -0.006 4.312 4.340 -0.038 0.000 0.214 623 L C 2.144 179.051 176.870 0.061 0.000 1.120 623 L CA 1.569 56.437 54.840 0.047 0.000 0.799 623 L CB -0.283 41.782 42.059 0.010 0.000 0.925 623 L HN 0.564 nan 8.230 nan 0.000 0.446 624 D N 0.134 120.554 120.400 0.034 0.000 2.339 624 D HA -0.022 4.595 4.640 -0.038 0.000 0.217 624 D C 0.723 177.035 176.300 0.021 0.000 1.050 624 D CA -0.017 53.999 54.000 0.027 0.000 0.856 624 D CB -0.600 40.206 40.800 0.009 0.000 0.922 624 D HN 0.138 nan 8.370 nan 0.000 0.518 625 V N -0.660 119.272 119.914 0.030 0.000 2.572 625 V HA 0.324 4.422 4.120 -0.038 0.000 0.291 625 V C -2.028 174.073 176.094 0.011 0.000 1.039 625 V CA -1.488 60.819 62.300 0.012 0.000 1.055 625 V CB 0.343 32.176 31.823 0.017 0.000 0.969 625 V HN -0.065 nan 8.190 nan 0.000 0.482 626 P HA 0.347 nan 4.420 nan 0.000 0.274 626 P C -0.326 176.954 177.300 -0.034 0.000 1.246 626 P CA -0.247 62.849 63.100 -0.008 0.000 0.795 626 P CB 1.062 32.758 31.700 -0.007 0.000 1.006 627 A N 2.023 124.819 122.820 -0.040 0.000 2.362 627 A HA 0.436 4.733 4.320 -0.038 0.000 0.276 627 A C 0.210 177.768 177.584 -0.043 0.000 1.153 627 A CA -0.113 51.881 52.037 -0.070 0.000 0.813 627 A CB -0.458 18.505 19.000 -0.063 0.000 1.081 627 A HN 0.693 nan 8.150 nan 0.000 0.507 628 N N 0.000 118.672 118.700 -0.047 0.000 1.763 628 N HA 0.000 4.717 4.740 -0.038 0.000 0.220 628 N CA 0.000 53.036 53.050 -0.024 0.000 0.885 628 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667