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 2yx9_1_B 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 PIRSWQNYFK 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 0.000 177.577 177.584 -0.012 0.000 1.274 9 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 9 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 10 S N 2.477 118.178 115.700 0.001 0.000 2.533 10 S HA 0.399 4.858 4.470 -0.018 0.000 0.282 10 S C -1.165 173.410 174.600 -0.042 0.000 1.304 10 S CA -0.495 57.715 58.200 0.018 0.000 1.063 10 S CB 0.936 64.181 63.200 0.076 0.000 0.881 10 S HN 0.350 nan 8.310 nan 0.000 0.493 11 P HA 0.047 nan 4.420 nan 0.000 0.242 11 P C 0.168 177.123 177.300 -0.574 0.000 1.197 11 P CA 0.637 63.520 63.100 -0.362 0.000 0.765 11 P CB -0.102 31.317 31.700 -0.468 0.000 0.936 12 F N 0.540 120.417 119.950 -0.121 0.000 2.639 12 F HA 0.221 4.738 4.527 -0.018 0.000 0.302 12 F C 1.523 177.244 175.800 -0.132 0.000 1.097 12 F CA -0.773 57.104 58.000 -0.205 0.000 1.294 12 F CB -0.133 38.739 39.000 -0.213 0.000 1.027 12 F HN -0.159 nan 8.300 nan 0.000 0.550 13 R N 0.592 121.111 120.500 0.032 0.000 2.738 13 R HA 0.309 4.638 4.340 -0.018 0.000 0.268 13 R C -0.148 176.169 176.300 0.028 0.000 1.062 13 R CA -0.510 55.617 56.100 0.046 0.000 1.158 13 R CB 0.468 30.788 30.300 0.033 0.000 1.046 13 R HN 0.129 nan 8.270 nan 0.000 0.493 14 L N 1.468 122.722 121.223 0.052 0.000 2.467 14 L HA 0.143 4.473 4.340 -0.018 0.000 0.270 14 L C 0.772 177.681 176.870 0.064 0.000 1.205 14 L CA -0.211 54.664 54.840 0.059 0.000 0.828 14 L CB 0.474 42.570 42.059 0.060 0.000 1.101 14 L HN 0.849 nan 8.230 nan 0.000 0.479 15 A N 2.149 125.023 122.820 0.089 0.000 2.462 15 A HA 0.376 4.685 4.320 -0.018 0.000 0.243 15 A C 0.310 177.965 177.584 0.118 0.000 1.076 15 A CA -0.183 51.955 52.037 0.167 0.000 0.773 15 A CB 0.150 19.306 19.000 0.259 0.000 1.010 15 A HN 0.751 nan 8.150 nan 0.000 0.493 16 S N 1.242 117.006 115.700 0.106 0.000 2.690 16 S HA 0.623 5.082 4.470 -0.018 0.000 0.291 16 S C 1.142 175.756 174.600 0.024 0.000 1.138 16 S CA -0.189 58.041 58.200 0.050 0.000 1.013 16 S CB 1.538 64.760 63.200 0.036 0.000 1.053 16 S HN 1.581 nan 8.310 nan 0.000 0.539 17 A N 1.552 124.376 122.820 0.006 0.000 1.940 17 A HA 0.115 4.424 4.320 -0.018 0.000 0.219 17 A C 2.115 179.680 177.584 -0.032 0.000 1.176 17 A CA 1.826 53.856 52.037 -0.011 0.000 0.631 17 A CB -1.780 17.215 19.000 -0.008 0.000 0.814 17 A HN 1.171 nan 8.150 nan 0.000 0.446 18 G N -0.579 108.205 108.800 -0.027 0.000 2.418 18 G HA2 -0.208 3.741 3.960 -0.018 0.000 0.217 18 G HA3 -0.208 3.741 3.960 -0.018 0.000 0.217 18 G C 1.432 176.282 174.900 -0.083 0.000 1.158 18 G CA 0.961 46.035 45.100 -0.043 0.000 0.771 18 G HN 0.658 nan 8.290 nan 0.000 0.545 19 E N -0.040 120.106 120.200 -0.089 0.000 2.077 19 E HA -0.059 4.280 4.350 -0.018 0.000 0.193 19 E C 2.511 178.874 176.600 -0.395 0.000 0.989 19 E CA 0.576 56.853 56.400 -0.205 0.000 0.800 19 E CB -0.134 29.516 29.700 -0.084 0.000 0.746 19 E HN 0.484 nan 8.360 nan 0.000 0.452 20 I N 0.746 121.152 120.570 -0.274 0.000 2.252 20 I HA -0.241 3.918 4.170 -0.018 0.000 0.245 20 I C 2.361 178.359 176.117 -0.199 0.000 1.102 20 I CA 0.776 61.914 61.300 -0.270 0.000 1.385 20 I CB -0.152 37.778 38.000 -0.117 0.000 1.064 20 I HN -0.011 nan 8.210 nan 0.000 0.414 21 S N 0.094 115.716 115.700 -0.131 0.000 2.399 21 S HA -0.207 4.252 4.470 -0.018 0.000 0.231 21 S C 1.874 176.409 174.600 -0.108 0.000 1.022 21 S CA 1.296 59.441 58.200 -0.091 0.000 0.983 21 S CB -0.186 62.979 63.200 -0.059 0.000 0.803 21 S HN 0.374 nan 8.310 nan 0.000 0.480 22 E N 1.218 121.331 120.200 -0.145 0.000 2.072 22 E HA -0.061 4.278 4.350 -0.018 0.000 0.191 22 E C 1.890 178.394 176.600 -0.161 0.000 0.985 22 E CA 0.818 57.136 56.400 -0.137 0.000 0.801 22 E CB -0.323 29.292 29.700 -0.142 0.000 0.750 22 E HN 0.231 nan 8.360 nan 0.000 0.452 23 V N 0.954 120.714 119.914 -0.257 0.000 2.332 23 V HA -0.293 3.816 4.120 -0.018 0.000 0.248 23 V C 2.576 178.595 176.094 -0.124 0.000 1.055 23 V CA 2.261 64.420 62.300 -0.235 0.000 1.038 23 V CB -0.635 30.968 31.823 -0.367 0.000 0.651 23 V HN 0.419 nan 8.190 nan 0.000 0.450 24 Q N 0.060 119.795 119.800 -0.109 0.000 2.061 24 Q HA -0.199 4.130 4.340 -0.018 0.000 0.204 24 Q C 2.238 178.215 176.000 -0.037 0.000 0.984 24 Q CA 2.192 57.964 55.803 -0.052 0.000 0.846 24 Q CB -0.495 28.222 28.738 -0.035 0.000 0.902 24 Q HN 0.657 nan 8.270 nan 0.000 0.421 25 G N 0.808 109.579 108.800 -0.049 0.000 2.402 25 G HA2 -0.210 3.739 3.960 -0.018 0.000 0.216 25 G HA3 -0.210 3.739 3.960 -0.018 0.000 0.216 25 G C 1.398 176.280 174.900 -0.030 0.000 1.162 25 G CA 0.819 45.897 45.100 -0.036 0.000 0.777 25 G HN 0.369 nan 8.290 nan 0.000 0.539 26 I N 0.342 120.888 120.570 -0.040 0.000 2.252 26 I HA -0.108 4.051 4.170 -0.018 0.000 0.245 26 I C 2.678 178.787 176.117 -0.014 0.000 1.102 26 I CA 0.628 61.912 61.300 -0.027 0.000 1.385 26 I CB -0.187 37.793 38.000 -0.033 0.000 1.064 26 I HN 0.122 nan 8.210 nan 0.000 0.414 27 L N 0.094 121.309 121.223 -0.014 0.000 2.046 27 L HA -0.190 4.140 4.340 -0.018 0.000 0.208 27 L C 2.778 179.651 176.870 0.004 0.000 1.077 27 L CA 1.383 56.225 54.840 0.002 0.000 0.747 27 L CB -0.595 41.468 42.059 0.007 0.000 0.896 27 L HN 0.161 nan 8.230 nan 0.000 0.432 28 R N -0.578 119.921 120.500 -0.000 0.000 2.073 28 R HA -0.134 4.195 4.340 -0.018 0.000 0.234 28 R C 2.306 178.605 176.300 -0.001 0.000 1.134 28 R CA 1.942 58.043 56.100 0.002 0.000 0.952 28 R CB -0.617 29.683 30.300 -0.001 0.000 0.850 28 R HN 0.304 nan 8.270 nan 0.000 0.433 29 T N 0.629 115.180 114.554 -0.005 0.000 2.788 29 T HA -0.121 4.218 4.350 -0.018 0.000 0.268 29 T C 1.702 176.402 174.700 -0.002 0.000 1.044 29 T CA 1.396 63.493 62.100 -0.005 0.000 1.139 29 T CB -0.120 68.743 68.868 -0.008 0.000 0.867 29 T HN 0.364 nan 8.240 nan 0.000 0.454 30 A N 0.292 123.113 122.820 0.001 0.000 2.235 30 A HA 0.484 4.793 4.320 -0.018 0.000 0.208 30 A C 1.902 179.489 177.584 0.005 0.000 1.172 30 A CA 0.856 52.896 52.037 0.004 0.000 0.786 30 A CB -0.766 18.239 19.000 0.008 0.000 0.804 30 A HN 0.738 nan 8.150 nan 0.000 0.479 31 G N -1.271 107.531 108.800 0.004 0.000 2.147 31 G HA2 -0.233 3.716 3.960 -0.018 0.000 0.244 31 G HA3 -0.233 3.716 3.960 -0.018 0.000 0.244 31 G C 0.514 175.418 174.900 0.006 0.000 1.005 31 G CA 0.482 45.584 45.100 0.004 0.000 0.713 31 G HN 0.522 nan 8.290 nan 0.000 0.515 32 L N -1.315 119.914 121.223 0.011 0.000 2.640 32 L HA 0.484 4.813 4.340 -0.018 0.000 0.230 32 L C 1.053 177.935 176.870 0.020 0.000 1.123 32 L CA 0.093 54.943 54.840 0.016 0.000 0.900 32 L CB 0.582 42.655 42.059 0.024 0.000 1.146 32 L HN 0.191 nan 8.230 nan 0.000 0.484 33 L N 0.612 121.847 121.223 0.019 0.000 2.678 33 L HA 0.504 4.833 4.340 -0.018 0.000 0.250 33 L C 0.591 177.480 176.870 0.030 0.000 1.455 33 L CA -0.174 54.684 54.840 0.029 0.000 0.823 33 L CB 0.523 42.602 42.059 0.033 0.000 1.107 33 L HN -0.052 nan 8.230 nan 0.000 0.514 34 G N 0.600 109.413 108.800 0.021 0.000 2.653 34 G HA2 0.300 4.249 3.960 -0.018 0.000 0.265 34 G HA3 0.300 4.249 3.960 -0.018 0.000 0.265 34 G C -1.561 173.360 174.900 0.035 0.000 1.237 34 G CA -0.509 44.602 45.100 0.019 0.000 0.946 34 G HN 0.373 nan 8.290 nan 0.000 0.522 35 P HA -0.107 nan 4.420 nan 0.000 0.223 35 P C 1.021 178.359 177.300 0.063 0.000 1.144 35 P CA 1.199 64.326 63.100 0.045 0.000 0.783 35 P CB 0.258 31.968 31.700 0.016 0.000 0.771 36 E N -0.822 119.396 120.200 0.030 0.000 2.479 36 E HA 0.053 4.393 4.350 -0.018 0.000 0.193 36 E C 0.347 176.938 176.600 -0.015 0.000 1.049 36 E CA 0.298 56.703 56.400 0.008 0.000 0.870 36 E CB -0.123 29.563 29.700 -0.024 0.000 0.944 36 E HN 0.145 nan 8.360 nan 0.000 0.492 37 K N 1.530 121.941 120.400 0.018 0.000 2.098 37 K HA 0.423 4.733 4.320 -0.018 0.000 0.261 37 K C 0.264 176.892 176.600 0.048 0.000 0.987 37 K CA -0.598 55.693 56.287 0.007 0.000 0.916 37 K CB 1.434 33.947 32.500 0.022 0.000 1.039 37 K HN -0.060 nan 8.250 nan 0.000 0.455 38 R N 1.454 121.976 120.500 0.038 0.000 2.673 38 R HA 0.435 4.764 4.340 -0.018 0.000 0.281 38 R C -0.353 175.975 176.300 0.046 0.000 0.991 38 R CA -0.928 55.181 56.100 0.015 0.000 0.896 38 R CB 1.318 31.645 30.300 0.045 0.000 1.201 38 R HN 0.461 nan 8.270 nan 0.000 0.457 39 I N 2.543 123.106 120.570 -0.011 0.000 2.322 39 I HA 0.138 4.297 4.170 -0.018 0.000 0.292 39 I C 1.340 177.476 176.117 0.030 0.000 1.060 39 I CA 0.096 61.408 61.300 0.021 0.000 1.309 39 I CB 0.703 38.688 38.000 -0.025 0.000 1.415 39 I HN 0.731 nan 8.210 nan 0.000 0.492 40 A N 6.699 129.594 122.820 0.125 0.000 2.030 40 A HA 0.014 4.323 4.320 -0.018 0.000 0.215 40 A C 0.424 178.128 177.584 0.200 0.000 1.164 40 A CA 0.710 52.836 52.037 0.148 0.000 0.697 40 A CB 0.201 19.327 19.000 0.209 0.000 0.827 40 A HN 0.648 nan 8.150 nan 0.000 0.457 41 Y N -1.895 118.420 120.300 0.024 0.000 2.521 41 Y HA 0.577 5.116 4.550 -0.018 0.000 0.332 41 Y C -1.778 174.012 175.900 -0.184 0.000 1.121 41 Y CA -1.275 56.735 58.100 -0.149 0.000 1.037 41 Y CB 1.300 39.502 38.460 -0.429 0.000 1.330 41 Y HN 0.165 nan 8.280 nan 0.000 0.452 42 L N 5.210 125.712 121.223 -1.201 0.000 2.543 42 L HA 0.940 5.269 4.340 -0.018 0.000 0.265 42 L C -1.304 175.029 176.870 -0.896 0.000 0.945 42 L CA -0.177 54.183 54.840 -0.801 0.000 0.869 42 L CB 1.983 43.870 42.059 -0.285 0.000 1.294 42 L HN 0.950 nan 8.230 nan 0.000 0.405 43 G N 2.784 111.230 108.800 -0.590 0.000 2.720 43 G HA2 0.476 4.425 3.960 -0.018 0.000 0.295 43 G HA3 0.476 4.425 3.960 -0.018 0.000 0.295 43 G C -1.908 172.802 174.900 -0.318 0.000 1.437 43 G CA -0.536 44.374 45.100 -0.317 0.000 0.886 43 G HN 0.508 nan 8.290 nan 0.000 0.509 44 V N 1.578 121.143 119.914 -0.582 0.000 2.686 44 V HA 0.559 4.668 4.120 -0.018 0.000 0.295 44 V C 0.196 176.026 176.094 -0.440 0.000 1.055 44 V CA -0.489 61.198 62.300 -1.020 0.000 1.050 44 V CB 0.789 32.009 31.823 -1.005 0.000 0.984 44 V HN 0.568 nan 8.190 nan 0.000 0.482 45 L N 5.382 126.384 121.223 -0.369 0.000 2.334 45 L HA 0.442 4.771 4.340 -0.018 0.000 0.277 45 L C 0.017 176.781 176.870 -0.177 0.000 1.075 45 L CA -0.710 54.026 54.840 -0.174 0.000 0.804 45 L CB 1.057 43.053 42.059 -0.105 0.000 1.174 45 L HN 0.618 nan 8.230 nan 0.000 0.438 46 D N 3.259 123.604 120.400 -0.092 0.000 2.362 46 D HA 0.184 4.813 4.640 -0.018 0.000 0.242 46 D C -1.958 174.268 176.300 -0.122 0.000 1.132 46 D CA -0.829 53.116 54.000 -0.091 0.000 0.907 46 D CB 0.321 41.174 40.800 0.087 0.000 1.195 46 D HN 0.301 nan 8.370 nan 0.000 0.429 47 P HA 0.159 nan 4.420 nan 0.000 0.269 47 P C -0.767 176.499 177.300 -0.056 0.000 1.209 47 P CA -0.396 62.600 63.100 -0.173 0.000 0.776 47 P CB 0.570 32.096 31.700 -0.288 0.000 0.876 48 A N 3.617 126.413 122.820 -0.039 0.000 2.346 48 A HA 0.219 4.528 4.320 -0.018 0.000 0.252 48 A C 0.744 178.314 177.584 -0.022 0.000 1.089 48 A CA -0.370 51.662 52.037 -0.009 0.000 0.797 48 A CB 0.045 19.042 19.000 -0.005 0.000 1.047 48 A HN 0.443 nan 8.150 nan 0.000 0.494 49 R N 0.105 120.574 120.500 -0.050 0.000 2.679 49 R HA 0.388 4.717 4.340 -0.018 0.000 0.268 49 R C 0.869 177.145 176.300 -0.040 0.000 1.044 49 R CA 1.254 57.288 56.100 -0.109 0.000 1.105 49 R CB -0.464 29.702 30.300 -0.224 0.000 0.989 49 R HN 1.863 nan 8.270 nan 0.000 0.447 50 G N 0.390 109.186 108.800 -0.008 0.000 2.750 50 G HA2 -0.174 3.775 3.960 -0.018 0.000 0.686 50 G HA3 -0.174 3.775 3.960 -0.018 0.000 0.686 50 G C -0.004 174.908 174.900 0.021 0.000 1.395 50 G CA -0.243 44.868 45.100 0.019 0.000 0.918 50 G HN 0.756 nan 8.290 nan 0.000 0.594 51 A N 1.940 124.776 122.820 0.027 0.000 2.958 51 A HA 0.587 4.896 4.320 -0.018 0.000 0.247 51 A C 1.989 179.577 177.584 0.008 0.000 1.679 51 A CA 1.251 53.299 52.037 0.019 0.000 1.345 51 A CB -0.872 18.142 19.000 0.022 0.000 1.013 51 A HN 2.242 nan 8.150 nan 0.000 0.641 52 G N 0.358 109.159 108.800 0.002 0.000 2.666 52 G HA2 -0.069 3.880 3.960 -0.018 0.000 0.215 52 G HA3 -0.069 3.880 3.960 -0.018 0.000 0.215 52 G C 0.912 175.810 174.900 -0.004 0.000 1.294 52 G CA 0.762 45.862 45.100 -0.001 0.000 0.811 52 G HN 0.544 nan 8.290 nan 0.000 0.594 53 S N 1.038 116.732 115.700 -0.010 0.000 2.544 53 S HA 0.095 4.554 4.470 -0.018 0.000 0.290 53 S C 1.177 175.770 174.600 -0.012 0.000 1.276 53 S CA 0.157 58.350 58.200 -0.013 0.000 1.075 53 S CB 1.484 64.672 63.200 -0.021 0.000 0.849 53 S HN 0.581 nan 8.310 nan 0.000 0.494 54 E N 3.327 123.522 120.200 -0.008 0.000 2.012 54 E HA -0.187 4.152 4.350 -0.018 0.000 0.211 54 E C 1.042 177.636 176.600 -0.011 0.000 1.029 54 E CA 1.362 57.758 56.400 -0.007 0.000 0.867 54 E CB -0.087 29.610 29.700 -0.005 0.000 0.790 54 E HN 0.795 nan 8.360 nan 0.000 0.482 55 A N 0.604 123.416 122.820 -0.013 0.000 2.275 55 A HA 0.204 4.513 4.320 -0.018 0.000 0.282 55 A C -0.459 177.107 177.584 -0.030 0.000 1.275 55 A CA 0.065 52.091 52.037 -0.018 0.000 0.842 55 A CB 0.171 19.163 19.000 -0.014 0.000 1.280 55 A HN 0.436 nan 8.150 nan 0.000 0.508 56 E N 0.040 120.217 120.200 -0.038 0.000 2.194 56 E HA 0.443 4.782 4.350 -0.018 0.000 0.284 56 E C -1.354 175.218 176.600 -0.048 0.000 1.035 56 E CA -0.296 56.068 56.400 -0.060 0.000 0.836 56 E CB 0.997 30.650 29.700 -0.078 0.000 1.070 56 E HN 0.381 nan 8.360 nan 0.000 0.401 57 D N 3.048 123.416 120.400 -0.053 0.000 2.427 57 D HA 0.154 4.783 4.640 -0.018 0.000 0.226 57 D C -0.754 175.523 176.300 -0.037 0.000 1.076 57 D CA -0.731 53.251 54.000 -0.031 0.000 0.849 57 D CB 0.504 41.291 40.800 -0.022 0.000 1.052 57 D HN 0.227 nan 8.370 nan 0.000 0.515 58 R N 3.808 124.304 120.500 -0.006 0.000 2.248 58 R HA 0.377 4.706 4.340 -0.018 0.000 0.328 58 R C 0.092 176.449 176.300 0.096 0.000 1.067 58 R CA -0.161 55.949 56.100 0.017 0.000 0.924 58 R CB 0.636 30.994 30.300 0.097 0.000 1.013 58 R HN 0.453 nan 8.270 nan 0.000 0.454 59 R N 2.345 122.858 120.500 0.021 0.000 2.711 59 R HA 0.507 4.836 4.340 -0.018 0.000 0.284 59 R C -0.751 175.562 176.300 0.023 0.000 0.968 59 R CA -0.676 55.480 56.100 0.092 0.000 0.924 59 R CB 1.533 31.846 30.300 0.023 0.000 1.162 59 R HN 0.247 nan 8.270 nan 0.000 0.465 60 F N 0.514 120.449 119.950 -0.024 0.000 2.546 60 F HA 0.493 5.009 4.527 -0.018 0.000 0.320 60 F C 0.267 176.061 175.800 -0.009 0.000 1.076 60 F CA -0.861 57.119 58.000 -0.034 0.000 0.928 60 F CB 1.929 40.896 39.000 -0.056 0.000 1.189 60 F HN 0.191 nan 8.300 nan 0.000 0.465 61 R N 1.807 122.385 120.500 0.131 0.000 2.514 61 R HA 0.861 5.190 4.340 -0.018 0.000 0.301 61 R C -1.930 174.422 176.300 0.086 0.000 0.962 61 R CA -0.526 55.658 56.100 0.139 0.000 0.882 61 R CB 1.501 31.895 30.300 0.157 0.000 1.143 61 R HN 0.548 nan 8.270 nan 0.000 0.452 62 V N 4.398 124.395 119.914 0.138 0.000 2.789 62 V HA 0.522 4.631 4.120 -0.018 0.000 0.311 62 V C -1.152 175.165 176.094 0.372 0.000 1.073 62 V CA -0.857 61.508 62.300 0.108 0.000 0.921 62 V CB 1.972 33.849 31.823 0.090 0.000 1.009 62 V HN 0.561 nan 8.190 nan 0.000 0.426 63 F N 3.779 123.885 119.950 0.260 0.000 2.402 63 F HA 0.631 5.147 4.527 -0.018 0.000 0.355 63 F C 0.095 175.991 175.800 0.160 0.000 1.123 63 F CA -1.732 56.416 58.000 0.247 0.000 1.021 63 F CB 1.287 40.477 39.000 0.317 0.000 1.160 63 F HN 0.211 nan 8.300 nan 0.000 0.451 64 I N 3.967 124.717 120.570 0.300 0.000 2.330 64 I HA 0.211 4.370 4.170 -0.018 0.000 0.289 64 I C -0.181 176.028 176.117 0.155 0.000 1.001 64 I CA -0.706 60.703 61.300 0.182 0.000 1.193 64 I CB 1.276 39.345 38.000 0.114 0.000 1.345 64 I HN 0.533 nan 8.210 nan 0.000 0.461 65 H N 5.958 125.057 119.070 0.048 0.000 2.488 65 H HA 0.350 4.895 4.556 -0.018 0.000 0.347 65 H C -1.136 174.191 175.328 -0.003 0.000 1.174 65 H CA -0.292 55.760 56.048 0.007 0.000 1.307 65 H CB 1.386 31.145 29.762 -0.004 0.000 1.517 65 H HN 0.504 nan 8.280 nan 0.000 0.554 66 D N 3.763 123.682 120.400 -0.802 0.000 2.549 66 D HA 0.080 4.709 4.640 -0.018 0.000 0.251 66 D C 0.930 176.777 176.300 -0.755 0.000 1.153 66 D CA -0.500 53.167 54.000 -0.555 0.000 0.861 66 D CB 1.507 42.150 40.800 -0.262 0.000 1.207 66 D HN 0.485 nan 8.370 nan 0.000 0.543 67 V N 2.193 121.837 119.914 -0.451 0.000 3.444 67 V HA -0.053 4.056 4.120 -0.018 0.000 0.271 67 V C 1.535 177.571 176.094 -0.097 0.000 1.188 67 V CA 1.653 63.840 62.300 -0.187 0.000 1.168 67 V CB -0.699 31.112 31.823 -0.020 0.000 0.810 67 V HN 0.481 nan 8.190 nan 0.000 0.500 68 S N -0.492 115.138 115.700 -0.116 0.000 2.524 68 S HA 0.456 4.915 4.470 -0.018 0.000 0.216 68 S C 1.703 176.266 174.600 -0.062 0.000 0.987 68 S CA 0.772 58.933 58.200 -0.065 0.000 0.909 68 S CB 0.435 63.602 63.200 -0.055 0.000 0.781 68 S HN 1.692 nan 8.310 nan 0.000 0.521 69 G N 0.597 109.344 108.800 -0.088 0.000 2.184 69 G HA2 -0.018 3.931 3.960 -0.018 0.000 0.206 69 G HA3 -0.018 3.931 3.960 -0.018 0.000 0.206 69 G C 0.301 175.161 174.900 -0.066 0.000 0.995 69 G CA -0.139 44.925 45.100 -0.059 0.000 0.651 69 G HN 1.154 nan 8.290 nan 0.000 0.511 70 A N 0.328 123.098 122.820 -0.084 0.000 2.386 70 A HA 0.679 4.988 4.320 -0.018 0.000 0.246 70 A C 0.885 178.422 177.584 -0.078 0.000 1.089 70 A CA 0.121 52.114 52.037 -0.072 0.000 0.790 70 A CB 0.218 19.177 19.000 -0.069 0.000 1.042 70 A HN 0.522 nan 8.150 nan 0.000 0.497 71 R N 1.152 121.612 120.500 -0.067 0.000 2.570 71 R HA 0.186 4.515 4.340 -0.018 0.000 0.277 71 R C -2.072 174.183 176.300 -0.074 0.000 1.039 71 R CA -0.835 55.221 56.100 -0.074 0.000 1.065 71 R CB 0.080 30.336 30.300 -0.072 0.000 0.964 71 R HN 0.605 nan 8.270 nan 0.000 0.428 72 P HA 0.085 nan 4.420 nan 0.000 0.277 72 P C -1.066 176.198 177.300 -0.061 0.000 1.271 72 P CA -0.354 62.713 63.100 -0.054 0.000 0.795 72 P CB 0.922 32.597 31.700 -0.041 0.000 1.101 73 Q N -1.020 118.776 119.800 -0.007 0.000 2.416 73 Q HA 0.364 4.693 4.340 -0.018 0.000 0.281 73 Q C -0.969 175.096 176.000 0.108 0.000 1.067 73 Q CA -0.668 55.145 55.803 0.018 0.000 0.809 73 Q CB 2.625 31.384 28.738 0.036 0.000 1.418 73 Q HN 0.436 nan 8.270 nan 0.000 0.411 74 E N 1.614 121.892 120.200 0.130 0.000 2.158 74 E HA 0.513 4.852 4.350 -0.018 0.000 0.271 74 E C -1.526 175.210 176.600 0.226 0.000 0.911 74 E CA -0.540 56.035 56.400 0.292 0.000 0.767 74 E CB 1.367 31.247 29.700 0.300 0.000 1.120 74 E HN 0.309 nan 8.360 nan 0.000 0.405 75 V N 3.253 123.317 119.914 0.251 0.000 2.789 75 V HA 0.411 4.520 4.120 -0.018 0.000 0.311 75 V C -0.353 175.838 176.094 0.162 0.000 1.073 75 V CA -0.791 61.609 62.300 0.165 0.000 0.921 75 V CB 2.266 34.164 31.823 0.125 0.000 1.009 75 V HN 0.718 nan 8.190 nan 0.000 0.426 76 T N 3.697 118.325 114.554 0.124 0.000 2.807 76 T HA 0.689 5.028 4.350 -0.018 0.000 0.279 76 T C -0.488 174.268 174.700 0.093 0.000 0.993 76 T CA -0.443 61.726 62.100 0.114 0.000 0.970 76 T CB 1.571 70.496 68.868 0.095 0.000 0.950 76 T HN 0.825 nan 8.240 nan 0.000 0.441 77 V N 0.581 120.559 119.914 0.107 0.000 2.914 77 V HA 0.896 5.005 4.120 -0.018 0.000 0.314 77 V C -0.175 175.979 176.094 0.100 0.000 1.084 77 V CA -0.947 61.402 62.300 0.082 0.000 0.963 77 V CB 2.129 33.984 31.823 0.054 0.000 1.025 77 V HN 0.759 nan 8.190 nan 0.000 0.432 78 S N 1.839 117.578 115.700 0.065 0.000 2.420 78 S HA 0.393 4.852 4.470 -0.018 0.000 0.313 78 S C 0.819 175.449 174.600 0.049 0.000 1.079 78 S CA -0.062 58.178 58.200 0.066 0.000 1.104 78 S CB 0.869 64.092 63.200 0.038 0.000 0.969 78 S HN 1.821 nan 8.310 nan 0.000 0.471 79 V N 3.811 123.769 119.914 0.074 0.000 2.667 79 V HA -0.014 4.095 4.120 -0.018 0.000 0.252 79 V C 1.979 178.078 176.094 0.008 0.000 1.065 79 V CA 1.924 64.226 62.300 0.003 0.000 1.083 79 V CB -1.737 30.063 31.823 -0.039 0.000 0.692 79 V HN 0.778 nan 8.190 nan 0.000 0.468 80 T N 1.720 116.293 114.554 0.030 0.000 2.701 80 T HA -0.102 4.237 4.350 -0.018 0.000 0.263 80 T C 1.704 176.408 174.700 0.006 0.000 1.040 80 T CA 2.055 64.164 62.100 0.015 0.000 1.147 80 T CB -0.448 68.429 68.868 0.015 0.000 0.865 80 T HN 0.578 nan 8.240 nan 0.000 0.426 81 N N 0.503 119.209 118.700 0.009 0.000 2.353 81 N HA 0.138 4.867 4.740 -0.018 0.000 0.185 81 N C 1.323 176.834 175.510 0.001 0.000 1.098 81 N CA 0.645 53.697 53.050 0.004 0.000 0.872 81 N CB 0.234 38.725 38.487 0.007 0.000 0.970 81 N HN 0.542 nan 8.380 nan 0.000 0.467 82 G N 1.680 110.479 108.800 -0.002 0.000 2.273 82 G HA2 -0.269 3.680 3.960 -0.018 0.000 0.280 82 G HA3 -0.269 3.680 3.960 -0.018 0.000 0.280 82 G C 0.139 175.038 174.900 -0.002 0.000 1.047 82 G CA 1.019 46.114 45.100 -0.008 0.000 0.869 82 G HN 0.519 nan 8.290 nan 0.000 0.502 83 T N -3.774 110.783 114.554 0.006 0.000 2.916 83 T HA 0.705 5.044 4.350 -0.018 0.000 0.292 83 T C -0.312 174.399 174.700 0.018 0.000 1.055 83 T CA -0.660 61.446 62.100 0.010 0.000 1.009 83 T CB 2.779 71.653 68.868 0.011 0.000 1.118 83 T HN 0.741 nan 8.240 nan 0.000 0.497 84 V N 2.845 122.770 119.914 0.020 0.000 2.364 84 V HA 0.298 4.407 4.120 -0.018 0.000 0.272 84 V C 1.201 177.313 176.094 0.030 0.000 1.036 84 V CA -0.472 61.845 62.300 0.029 0.000 0.880 84 V CB 0.474 32.314 31.823 0.027 0.000 0.991 84 V HN 0.885 nan 8.190 nan 0.000 0.460 85 I N 3.214 123.807 120.570 0.038 0.000 2.333 85 I HA 0.009 4.168 4.170 -0.018 0.000 0.246 85 I C 0.906 177.045 176.117 0.036 0.000 1.106 85 I CA 0.937 62.258 61.300 0.035 0.000 1.411 85 I CB 0.209 38.232 38.000 0.039 0.000 1.082 85 I HN 0.758 nan 8.210 nan 0.000 0.420 86 S N 0.010 115.738 115.700 0.047 0.000 2.537 86 S HA 0.809 5.268 4.470 -0.018 0.000 0.270 86 S C -0.883 173.753 174.600 0.059 0.000 1.142 86 S CA -0.697 57.531 58.200 0.048 0.000 0.870 86 S CB 2.376 65.606 63.200 0.050 0.000 1.112 86 S HN 0.173 nan 8.310 nan 0.000 0.466 87 A N 1.316 124.166 122.820 0.050 0.000 2.442 87 A HA 0.750 5.059 4.320 -0.018 0.000 0.284 87 A C -0.593 177.014 177.584 0.040 0.000 1.058 87 A CA -0.498 51.571 52.037 0.054 0.000 0.738 87 A CB 1.042 20.068 19.000 0.042 0.000 1.242 87 A HN 2.108 nan 8.150 nan 0.000 0.421 88 V N 0.112 120.052 119.914 0.044 0.000 2.588 88 V HA 0.700 4.809 4.120 -0.018 0.000 0.304 88 V C -0.205 175.886 176.094 -0.005 0.000 1.042 88 V CA -0.731 61.581 62.300 0.019 0.000 0.877 88 V CB 1.562 33.399 31.823 0.023 0.000 0.996 88 V HN 0.936 nan 8.190 nan 0.000 0.425 89 E N 3.577 123.762 120.200 -0.025 0.000 2.316 89 E HA 0.455 4.794 4.350 -0.018 0.000 0.275 89 E C -1.083 175.463 176.600 -0.090 0.000 1.029 89 E CA -0.499 55.871 56.400 -0.050 0.000 0.871 89 E CB 1.050 30.724 29.700 -0.044 0.000 1.022 89 E HN 0.772 nan 8.360 nan 0.000 0.418 90 L N 3.727 124.864 121.223 -0.143 0.000 2.309 90 L HA 0.259 4.588 4.340 -0.018 0.000 0.282 90 L C 0.067 176.814 176.870 -0.205 0.000 1.036 90 L CA -0.663 54.037 54.840 -0.233 0.000 0.806 90 L CB 1.274 43.081 42.059 -0.419 0.000 1.220 90 L HN 0.516 nan 8.230 nan 0.000 0.429 91 D N 1.268 121.551 120.400 -0.196 0.000 2.499 91 D HA 0.057 4.686 4.640 -0.018 0.000 0.225 91 D C 1.318 177.506 176.300 -0.186 0.000 1.124 91 D CA -0.257 53.653 54.000 -0.150 0.000 0.938 91 D CB 1.080 41.818 40.800 -0.104 0.000 1.014 91 D HN 0.686 nan 8.370 nan 0.000 0.517 92 T N 0.354 114.784 114.554 -0.208 0.000 2.803 92 T HA -0.194 4.145 4.350 -0.018 0.000 0.269 92 T C 1.874 176.494 174.700 -0.134 0.000 1.052 92 T CA 1.120 63.086 62.100 -0.224 0.000 1.136 92 T CB -0.144 68.606 68.868 -0.198 0.000 0.864 92 T HN 0.236 nan 8.240 nan 0.000 0.467 93 A N 1.221 123.985 122.820 -0.093 0.000 2.070 93 A HA 0.397 4.706 4.320 -0.018 0.000 0.220 93 A C 2.610 180.174 177.584 -0.033 0.000 1.159 93 A CA 1.715 53.718 52.037 -0.056 0.000 0.656 93 A CB -1.007 17.964 19.000 -0.049 0.000 0.800 93 A HN 0.802 nan 8.150 nan 0.000 0.453 94 A N -0.999 121.794 122.820 -0.046 0.000 1.909 94 A HA 0.142 4.451 4.320 -0.018 0.000 0.210 94 A C 2.225 179.832 177.584 0.038 0.000 1.273 94 A CA 1.668 53.699 52.037 -0.010 0.000 0.654 94 A CB -0.815 18.167 19.000 -0.031 0.000 0.945 94 A HN 0.654 nan 8.150 nan 0.000 0.471 95 T N -3.182 111.314 114.554 -0.096 0.000 3.100 95 T HA 0.462 4.801 4.350 -0.018 0.000 0.253 95 T C 0.877 175.253 174.700 -0.539 0.000 1.118 95 T CA 0.910 62.873 62.100 -0.230 0.000 1.058 95 T CB -0.139 68.588 68.868 -0.236 0.000 0.953 95 T HN 1.918 nan 8.240 nan 0.000 0.515 96 G N 0.721 109.332 108.800 -0.315 0.000 2.576 96 G HA2 0.119 4.068 3.960 -0.018 0.000 0.686 96 G HA3 0.119 4.068 3.960 -0.018 0.000 0.686 96 G C -1.242 173.490 174.900 -0.280 0.000 1.242 96 G CA -1.072 43.874 45.100 -0.256 0.000 0.819 96 G HN 0.209 nan 8.290 nan 0.000 0.655 97 E N 0.092 120.199 120.200 -0.154 0.000 2.349 97 E HA 0.527 4.866 4.350 -0.018 0.000 0.262 97 E C 1.108 177.643 176.600 -0.109 0.000 1.088 97 E CA -0.528 55.776 56.400 -0.160 0.000 0.899 97 E CB 1.093 30.722 29.700 -0.117 0.000 1.044 97 E HN 0.505 nan 8.360 nan 0.000 0.420 98 L N 1.872 123.034 121.223 -0.101 0.000 2.466 98 L HA 0.206 4.535 4.340 -0.018 0.000 0.257 98 L C -1.920 174.958 176.870 0.013 0.000 1.189 98 L CA -1.760 53.096 54.840 0.027 0.000 0.813 98 L CB -0.193 41.897 42.059 0.052 0.000 1.118 98 L HN 0.157 nan 8.230 nan 0.000 0.471 99 P HA -0.026 nan 4.420 nan 0.000 0.268 99 P C -0.718 176.541 177.300 -0.069 0.000 1.208 99 P CA -0.245 62.878 63.100 0.039 0.000 0.777 99 P CB 0.378 32.158 31.700 0.133 0.000 0.875 100 V N 3.453 123.278 119.914 -0.148 0.000 2.655 100 V HA -0.014 4.095 4.120 -0.018 0.000 0.300 100 V C 0.751 176.701 176.094 -0.240 0.000 1.044 100 V CA 0.186 62.290 62.300 -0.326 0.000 1.095 100 V CB -0.287 31.190 31.823 -0.577 0.000 0.952 100 V HN 0.323 nan 8.190 nan 0.000 0.485 101 L N 3.436 124.468 121.223 -0.319 0.000 2.326 101 L HA 0.280 4.609 4.340 -0.018 0.000 0.278 101 L C 1.595 178.397 176.870 -0.113 0.000 1.092 101 L CA -0.060 54.681 54.840 -0.165 0.000 0.810 101 L CB 0.910 42.861 42.059 -0.179 0.000 1.153 101 L HN 0.765 nan 8.230 nan 0.000 0.439 102 E N 1.931 122.222 120.200 0.153 0.000 2.160 102 E HA -0.259 4.080 4.350 -0.018 0.000 0.195 102 E C 1.586 178.348 176.600 0.269 0.000 0.991 102 E CA 1.755 58.403 56.400 0.413 0.000 0.810 102 E CB 0.254 30.169 29.700 0.358 0.000 0.742 102 E HN 0.777 nan 8.360 nan 0.000 0.466 103 E N 0.000 120.257 120.200 0.094 0.000 2.274 103 E HA -0.188 4.151 4.350 -0.018 0.000 0.194 103 E C 1.500 178.118 176.600 0.030 0.000 0.996 103 E CA 0.938 57.382 56.400 0.073 0.000 0.840 103 E CB -0.059 29.662 29.700 0.035 0.000 0.772 103 E HN 0.368 nan 8.360 nan 0.000 0.491 104 E N 0.015 120.162 120.200 -0.088 0.000 2.216 104 E HA -0.051 4.288 4.350 -0.018 0.000 0.192 104 E C 1.461 177.997 176.600 -0.107 0.000 0.988 104 E CA 0.465 56.772 56.400 -0.155 0.000 0.834 104 E CB -0.115 29.401 29.700 -0.307 0.000 0.772 104 E HN 0.241 nan 8.360 nan 0.000 0.479 105 F N 2.183 122.161 119.950 0.046 0.000 2.126 105 F HA -0.194 4.322 4.527 -0.018 0.000 0.299 105 F C 2.434 178.270 175.800 0.060 0.000 1.096 105 F CA 1.649 59.690 58.000 0.068 0.000 1.255 105 F CB -0.535 38.536 39.000 0.118 0.000 0.997 105 F HN 0.099 nan 8.300 nan 0.000 0.479 106 E N -0.091 120.258 120.200 0.249 0.000 2.268 106 E HA -0.110 4.229 4.350 -0.018 0.000 0.195 106 E C 2.029 178.682 176.600 0.089 0.000 0.995 106 E CA 1.222 57.715 56.400 0.155 0.000 0.836 106 E CB -0.699 29.083 29.700 0.137 0.000 0.763 106 E HN 0.256 nan 8.360 nan 0.000 0.491 107 V N 1.577 121.528 119.914 0.063 0.000 2.392 107 V HA -0.276 3.833 4.120 -0.018 0.000 0.249 107 V C 2.474 178.561 176.094 -0.012 0.000 1.059 107 V CA 1.566 63.877 62.300 0.017 0.000 1.051 107 V CB -0.330 31.489 31.823 -0.007 0.000 0.658 107 V HN 0.220 nan 8.190 nan 0.000 0.455 108 V N -0.035 119.876 119.914 -0.005 0.000 2.219 108 V HA -0.371 3.738 4.120 -0.018 0.000 0.248 108 V C 2.437 178.461 176.094 -0.117 0.000 1.053 108 V CA 2.611 64.874 62.300 -0.061 0.000 1.009 108 V CB -0.712 31.105 31.823 -0.010 0.000 0.636 108 V HN 0.653 nan 8.190 nan 0.000 0.445 109 E N -0.490 119.679 120.200 -0.051 0.000 2.085 109 E HA -0.291 4.048 4.350 -0.018 0.000 0.194 109 E C 2.315 178.878 176.600 -0.061 0.000 0.994 109 E CA 1.689 58.054 56.400 -0.059 0.000 0.801 109 E CB -0.104 29.614 29.700 0.029 0.000 0.743 109 E HN 0.691 nan 8.360 nan 0.000 0.453 110 Q N 0.128 119.912 119.800 -0.026 0.000 2.030 110 Q HA -0.187 4.142 4.340 -0.018 0.000 0.204 110 Q C 2.473 178.448 176.000 -0.042 0.000 0.986 110 Q CA 1.622 57.416 55.803 -0.014 0.000 0.843 110 Q CB -0.138 28.604 28.738 0.006 0.000 0.904 110 Q HN 0.373 nan 8.270 nan 0.000 0.420 111 L N 0.271 121.450 121.223 -0.073 0.000 2.046 111 L HA -0.193 4.136 4.340 -0.018 0.000 0.208 111 L C 2.321 179.107 176.870 -0.139 0.000 1.077 111 L CA 0.853 55.639 54.840 -0.089 0.000 0.747 111 L CB -0.365 41.636 42.059 -0.095 0.000 0.896 111 L HN 0.274 nan 8.230 nan 0.000 0.432 112 L N -0.393 120.667 121.223 -0.273 0.000 2.141 112 L HA -0.157 4.172 4.340 -0.018 0.000 0.209 112 L C 2.785 179.542 176.870 -0.188 0.000 1.094 112 L CA 0.850 55.395 54.840 -0.491 0.000 0.763 112 L CB -0.674 40.644 42.059 -1.236 0.000 0.908 112 L HN 0.235 nan 8.230 nan 0.000 0.437 113 A N -0.164 122.625 122.820 -0.051 0.000 2.070 113 A HA -0.177 4.132 4.320 -0.018 0.000 0.220 113 A C 2.128 179.772 177.584 0.100 0.000 1.159 113 A CA 2.042 54.141 52.037 0.104 0.000 0.656 113 A CB -0.667 18.376 19.000 0.072 0.000 0.800 113 A HN 0.516 nan 8.150 nan 0.000 0.453 114 T N -3.607 110.977 114.554 0.050 0.000 3.085 114 T HA 0.165 4.504 4.350 -0.018 0.000 0.264 114 T C 0.099 174.829 174.700 0.050 0.000 1.019 114 T CA 0.024 62.152 62.100 0.047 0.000 0.910 114 T CB -0.085 68.797 68.868 0.023 0.000 1.059 114 T HN 0.334 nan 8.240 nan 0.000 0.542 115 D N 1.523 121.964 120.400 0.069 0.000 2.249 115 D HA 0.137 4.766 4.640 -0.018 0.000 0.246 115 D C 0.654 177.025 176.300 0.120 0.000 1.114 115 D CA -0.120 53.924 54.000 0.074 0.000 0.854 115 D CB 1.447 42.277 40.800 0.051 0.000 1.132 115 D HN 0.305 nan 8.370 nan 0.000 0.461 116 E N 2.798 123.043 120.200 0.074 0.000 2.085 116 E HA -0.218 4.121 4.350 -0.018 0.000 0.194 116 E C 1.857 178.498 176.600 0.070 0.000 0.994 116 E CA 1.153 57.590 56.400 0.062 0.000 0.801 116 E CB 0.275 29.996 29.700 0.035 0.000 0.743 116 E HN 0.468 nan 8.360 nan 0.000 0.453 117 R N 0.057 120.605 120.500 0.080 0.000 2.081 117 R HA -0.120 4.209 4.340 -0.018 0.000 0.235 117 R C 2.220 178.591 176.300 0.120 0.000 1.131 117 R CA 1.356 57.501 56.100 0.075 0.000 0.960 117 R CB -0.339 29.999 30.300 0.064 0.000 0.856 117 R HN 0.411 nan 8.270 nan 0.000 0.436 118 W N 1.494 122.772 121.300 -0.035 0.000 2.379 118 W HA -0.136 4.513 4.660 -0.018 0.000 0.307 118 W C 1.456 177.962 176.519 -0.022 0.000 1.200 118 W CA 1.221 58.547 57.345 -0.032 0.000 1.297 118 W CB -0.128 29.316 29.460 -0.027 0.000 1.140 118 W HN 0.080 nan 8.180 nan 0.000 0.507 119 L N 0.797 122.097 121.223 0.128 0.000 2.083 119 L HA -0.250 4.079 4.340 -0.018 0.000 0.209 119 L C 2.617 179.451 176.870 -0.060 0.000 1.083 119 L CA 1.677 56.526 54.840 0.016 0.000 0.752 119 L CB -0.922 41.177 42.059 0.067 0.000 0.899 119 L HN -0.089 nan 8.230 nan 0.000 0.433 120 K N 0.339 120.717 120.400 -0.038 0.000 2.097 120 K HA -0.152 4.157 4.320 -0.018 0.000 0.205 120 K C 2.139 178.678 176.600 -0.101 0.000 1.050 120 K CA 1.172 57.427 56.287 -0.053 0.000 0.938 120 K CB -0.022 32.462 32.500 -0.027 0.000 0.718 120 K HN 0.266 nan 8.250 nan 0.000 0.442 121 A N 1.161 123.889 122.820 -0.155 0.000 1.930 121 A HA -0.083 4.226 4.320 -0.018 0.000 0.217 121 A C 2.044 179.467 177.584 -0.269 0.000 1.175 121 A CA 1.057 52.965 52.037 -0.216 0.000 0.627 121 A CB -0.461 18.363 19.000 -0.293 0.000 0.815 121 A HN 0.286 nan 8.150 nan 0.000 0.443 122 L N -0.938 120.078 121.223 -0.344 0.000 2.109 122 L HA -0.136 4.193 4.340 -0.018 0.000 0.207 122 L C 3.069 179.841 176.870 -0.164 0.000 1.086 122 L CA 0.967 55.628 54.840 -0.299 0.000 0.760 122 L CB -0.579 41.286 42.059 -0.322 0.000 0.910 122 L HN 0.430 nan 8.230 nan 0.000 0.437 123 A N 0.236 122.982 122.820 -0.124 0.000 1.933 123 A HA -0.123 4.186 4.320 -0.018 0.000 0.218 123 A C 2.494 180.035 177.584 -0.072 0.000 1.175 123 A CA 1.535 53.525 52.037 -0.078 0.000 0.628 123 A CB -0.588 18.379 19.000 -0.055 0.000 0.814 123 A HN 0.384 nan 8.150 nan 0.000 0.444 124 A N -0.452 122.319 122.820 -0.082 0.000 2.070 124 A HA -0.096 4.213 4.320 -0.018 0.000 0.220 124 A C 2.057 179.601 177.584 -0.067 0.000 1.159 124 A CA 1.349 53.345 52.037 -0.068 0.000 0.656 124 A CB -0.306 18.652 19.000 -0.071 0.000 0.800 124 A HN 0.548 nan 8.150 nan 0.000 0.453 125 R N -0.846 119.604 120.500 -0.083 0.000 2.397 125 R HA 0.117 4.446 4.340 -0.018 0.000 0.241 125 R C -0.303 175.961 176.300 -0.062 0.000 0.914 125 R CA 0.093 56.150 56.100 -0.072 0.000 1.071 125 R CB 0.205 30.449 30.300 -0.093 0.000 1.116 125 R HN 0.434 nan 8.270 nan 0.000 0.524 126 N N 1.011 119.675 118.700 -0.059 0.000 2.735 126 N HA -0.182 4.547 4.740 -0.018 0.000 0.248 126 N C -1.000 174.481 175.510 -0.049 0.000 1.083 126 N CA 0.987 54.009 53.050 -0.047 0.000 0.703 126 N CB -1.339 37.128 38.487 -0.034 0.000 1.005 126 N HN 0.281 nan 8.380 nan 0.000 0.550 127 L N 0.116 121.300 121.223 -0.066 0.000 2.307 127 L HA 0.345 4.674 4.340 -0.018 0.000 0.284 127 L C 0.668 177.508 176.870 -0.049 0.000 1.023 127 L CA -0.826 53.976 54.840 -0.063 0.000 0.810 127 L CB 1.542 43.547 42.059 -0.090 0.000 1.231 127 L HN -0.084 nan 8.230 nan 0.000 0.423 128 D N 2.111 122.495 120.400 -0.027 0.000 2.339 128 D HA 0.001 4.630 4.640 -0.018 0.000 0.256 128 D C 0.848 177.153 176.300 0.008 0.000 1.214 128 D CA 0.097 54.093 54.000 -0.007 0.000 0.877 128 D CB 1.954 42.755 40.800 0.002 0.000 1.111 128 D HN 0.327 nan 8.370 nan 0.000 0.478 129 V N 4.204 124.132 119.914 0.023 0.000 2.453 129 V HA -0.280 3.829 4.120 -0.018 0.000 0.252 129 V C 2.138 178.280 176.094 0.079 0.000 1.068 129 V CA 2.969 65.310 62.300 0.069 0.000 1.070 129 V CB -0.446 31.436 31.823 0.099 0.000 0.664 129 V HN 0.728 nan 8.190 nan 0.000 0.461 130 S N -1.057 114.675 115.700 0.054 0.000 2.474 130 S HA -0.127 4.332 4.470 -0.018 0.000 0.235 130 S C 1.717 176.343 174.600 0.044 0.000 0.997 130 S CA 1.236 59.466 58.200 0.050 0.000 0.949 130 S CB -0.387 62.837 63.200 0.039 0.000 0.766 130 S HN 0.752 nan 8.310 nan 0.000 0.517 131 K N 0.693 121.115 120.400 0.036 0.000 2.358 131 K HA 0.304 4.614 4.320 -0.018 0.000 0.200 131 K C -0.765 175.852 176.600 0.029 0.000 1.030 131 K CA -0.072 56.229 56.287 0.023 0.000 1.097 131 K CB 0.996 33.501 32.500 0.009 0.000 0.862 131 K HN 0.211 nan 8.250 nan 0.000 0.534 132 V N 3.323 123.273 119.914 0.060 0.000 2.348 132 V HA 0.208 4.317 4.120 -0.018 0.000 0.270 132 V C 0.187 176.357 176.094 0.126 0.000 1.037 132 V CA -0.753 61.602 62.300 0.092 0.000 0.872 132 V CB 0.781 32.676 31.823 0.120 0.000 1.002 132 V HN 0.150 nan 8.190 nan 0.000 0.464 133 R N 3.276 123.836 120.500 0.100 0.000 2.459 133 R HA 0.621 4.950 4.340 -0.018 0.000 0.281 133 R C -0.779 175.629 176.300 0.180 0.000 1.050 133 R CA -0.490 55.662 56.100 0.088 0.000 1.055 133 R CB 1.830 32.115 30.300 -0.024 0.000 1.045 133 R HN 0.451 nan 8.270 nan 0.000 0.495 134 V N 1.762 121.779 119.914 0.172 0.000 2.444 134 V HA 0.404 4.513 4.120 -0.018 0.000 0.294 134 V C -0.017 176.223 176.094 0.243 0.000 1.022 134 V CA -1.174 61.265 62.300 0.233 0.000 0.850 134 V CB 1.718 33.620 31.823 0.133 0.000 0.992 134 V HN 0.842 nan 8.190 nan 0.000 0.426 135 A N 7.723 130.771 122.820 0.381 0.000 2.350 135 A HA 0.645 4.954 4.320 -0.018 0.000 0.293 135 A C -2.247 175.572 177.584 0.391 0.000 1.231 135 A CA -1.323 50.968 52.037 0.423 0.000 0.883 135 A CB 0.105 19.519 19.000 0.691 0.000 1.133 135 A HN 0.584 nan 8.150 nan 0.000 0.533 136 P HA 0.382 nan 4.420 nan 0.000 0.288 136 P C -0.853 176.712 177.300 0.441 0.000 1.363 136 P CA 0.127 63.442 63.100 0.358 0.000 0.837 136 P CB 0.689 32.654 31.700 0.442 0.000 0.981 137 L N 2.240 123.674 121.223 0.352 0.000 2.322 137 L HA 0.455 4.784 4.340 -0.018 0.000 0.269 137 L C 1.103 178.111 176.870 0.230 0.000 1.012 137 L CA -1.048 53.996 54.840 0.339 0.000 0.815 137 L CB 1.620 43.863 42.059 0.306 0.000 1.295 137 L HN 0.307 nan 8.230 nan 0.000 0.438 138 S N 0.230 116.065 115.700 0.226 0.000 2.563 138 S HA 0.191 4.650 4.470 -0.018 0.000 0.284 138 S C 0.758 175.441 174.600 0.139 0.000 1.331 138 S CA -0.043 58.229 58.200 0.120 0.000 1.047 138 S CB 1.341 64.644 63.200 0.171 0.000 0.859 138 S HN 0.739 nan 8.310 nan 0.000 0.514 139 A N 2.918 125.761 122.820 0.037 0.000 1.997 139 A HA 0.577 4.886 4.320 -0.018 0.000 0.212 139 A C 1.544 179.248 177.584 0.200 0.000 1.178 139 A CA 0.653 52.682 52.037 -0.012 0.000 0.698 139 A CB -1.449 17.461 19.000 -0.150 0.000 0.842 139 A HN 2.311 nan 8.150 nan 0.000 0.458 140 G N -1.670 107.223 108.800 0.154 0.000 2.645 140 G HA2 -0.056 3.893 3.960 -0.018 0.000 0.239 140 G HA3 -0.056 3.893 3.960 -0.018 0.000 0.239 140 G C -0.397 174.448 174.900 -0.091 0.000 1.331 140 G CA -0.215 44.944 45.100 0.098 0.000 0.890 140 G HN 1.119 nan 8.290 nan 0.000 0.572 141 V N 0.869 120.509 119.914 -0.457 0.000 2.443 141 V HA 0.779 4.888 4.120 -0.018 0.000 0.293 141 V C -0.193 175.365 176.094 -0.894 0.000 1.021 141 V CA -0.316 61.714 62.300 -0.450 0.000 0.848 141 V CB 1.168 32.791 31.823 -0.334 0.000 0.998 141 V HN 0.725 nan 8.190 nan 0.000 0.424 142 F N 1.558 121.483 119.950 -0.042 0.000 3.305 142 F HA 0.435 4.951 4.527 -0.018 0.000 0.292 142 F C 1.415 177.080 175.800 -0.225 0.000 1.516 142 F CA -0.617 57.312 58.000 -0.118 0.000 1.010 142 F CB 0.419 39.351 39.000 -0.114 0.000 1.738 142 F HN 0.450 nan 8.300 nan 0.000 0.402 143 E N 0.689 120.752 120.200 -0.229 0.000 2.437 143 E HA -0.010 4.329 4.350 -0.018 0.000 0.189 143 E C -1.157 175.251 176.600 -0.320 0.000 1.054 143 E CA 0.208 56.434 56.400 -0.289 0.000 0.874 143 E CB -0.686 28.861 29.700 -0.254 0.000 1.011 143 E HN 0.497 nan 8.360 nan 0.000 0.474 144 Y N 0.980 121.326 120.300 0.076 0.000 2.595 144 Y HA 0.443 4.982 4.550 -0.018 0.000 0.347 144 Y C 1.545 177.457 175.900 0.019 0.000 1.025 144 Y CA -0.260 57.870 58.100 0.050 0.000 1.295 144 Y CB 0.891 39.376 38.460 0.040 0.000 1.147 144 Y HN 0.085 nan 8.280 nan 0.000 0.515 145 A N 2.497 125.390 122.820 0.122 0.000 1.940 145 A HA -0.218 4.091 4.320 -0.018 0.000 0.219 145 A C 2.174 179.796 177.584 0.063 0.000 1.176 145 A CA 1.843 53.919 52.037 0.065 0.000 0.631 145 A CB -0.288 18.738 19.000 0.044 0.000 0.814 145 A HN 0.752 nan 8.150 nan 0.000 0.446 146 E N 0.674 120.925 120.200 0.085 0.000 2.409 146 E HA -0.195 4.144 4.350 -0.018 0.000 0.198 146 E C 1.130 177.751 176.600 0.035 0.000 1.024 146 E CA 1.356 57.788 56.400 0.052 0.000 0.861 146 E CB -0.454 29.277 29.700 0.052 0.000 0.788 146 E HN 0.777 nan 8.360 nan 0.000 0.521 147 E N 0.749 120.980 120.200 0.053 0.000 2.435 147 E HA 0.038 4.377 4.350 -0.018 0.000 0.195 147 E C 0.180 176.777 176.600 -0.005 0.000 1.029 147 E CA -0.170 56.240 56.400 0.017 0.000 0.865 147 E CB 0.066 29.784 29.700 0.030 0.000 0.833 147 E HN 0.187 nan 8.360 nan 0.000 0.510 148 R N 0.515 121.015 120.500 0.000 0.000 2.446 148 R HA 0.120 4.449 4.340 -0.018 0.000 0.314 148 R C 0.835 177.119 176.300 -0.026 0.000 1.003 148 R CA 0.711 56.800 56.100 -0.018 0.000 1.018 148 R CB 0.178 30.469 30.300 -0.015 0.000 0.945 148 R HN 0.261 nan 8.270 nan 0.000 0.419 149 G N 2.595 111.371 108.800 -0.039 0.000 2.175 149 G HA2 -0.282 3.667 3.960 -0.018 0.000 0.244 149 G HA3 -0.282 3.667 3.960 -0.018 0.000 0.244 149 G C 0.079 174.953 174.900 -0.044 0.000 0.982 149 G CA -0.340 44.733 45.100 -0.046 0.000 0.641 149 G HN 0.526 nan 8.290 nan 0.000 0.527 150 R N -0.295 120.180 120.500 -0.042 0.000 2.778 150 R HA 0.612 4.941 4.340 -0.018 0.000 0.277 150 R C -0.148 176.117 176.300 -0.058 0.000 0.977 150 R CA -0.993 55.082 56.100 -0.042 0.000 0.950 150 R CB 1.278 31.557 30.300 -0.034 0.000 1.165 150 R HN 0.139 nan 8.270 nan 0.000 0.474 151 R N 2.151 122.614 120.500 -0.062 0.000 2.205 151 R HA 0.340 4.669 4.340 -0.018 0.000 0.342 151 R C -0.206 176.032 176.300 -0.103 0.000 1.058 151 R CA -0.221 55.822 56.100 -0.096 0.000 0.904 151 R CB 0.465 30.696 30.300 -0.115 0.000 1.089 151 R HN 0.287 nan 8.270 nan 0.000 0.471 152 I N 4.463 124.964 120.570 -0.114 0.000 2.562 152 I HA 0.450 4.609 4.170 -0.018 0.000 0.301 152 I C 0.012 176.042 176.117 -0.144 0.000 1.003 152 I CA -0.825 60.399 61.300 -0.126 0.000 1.127 152 I CB 1.743 39.656 38.000 -0.145 0.000 1.304 152 I HN 0.488 nan 8.210 nan 0.000 0.446 153 L N 4.855 125.996 121.223 -0.137 0.000 2.388 153 L HA 0.543 4.873 4.340 -0.018 0.000 0.264 153 L C -0.356 176.432 176.870 -0.137 0.000 0.998 153 L CA -0.812 53.961 54.840 -0.112 0.000 0.817 153 L CB 2.651 44.672 42.059 -0.062 0.000 1.338 153 L HN 0.496 nan 8.230 nan 0.000 0.414 154 R N 0.949 121.339 120.500 -0.182 0.000 2.445 154 R HA 0.614 4.943 4.340 -0.018 0.000 0.308 154 R C -0.209 176.076 176.300 -0.025 0.000 0.961 154 R CA -0.676 55.267 56.100 -0.261 0.000 0.862 154 R CB 2.005 31.728 30.300 -0.962 0.000 1.144 154 R HN 0.749 nan 8.270 nan 0.000 0.447 155 G N 3.097 111.918 108.800 0.035 0.000 2.379 155 G HA2 0.580 4.529 3.960 -0.018 0.000 0.327 155 G HA3 0.580 4.529 3.960 -0.018 0.000 0.327 155 G C -0.728 174.342 174.900 0.284 0.000 1.145 155 G CA -0.610 44.574 45.100 0.139 0.000 0.905 155 G HN 0.311 nan 8.290 nan 0.000 0.466 156 L N 1.426 122.889 121.223 0.400 0.000 2.346 156 L HA 0.676 5.005 4.340 -0.018 0.000 0.276 156 L C 0.514 177.544 176.870 0.267 0.000 1.006 156 L CA -1.002 54.064 54.840 0.376 0.000 0.817 156 L CB 2.165 44.532 42.059 0.513 0.000 1.272 156 L HN 0.627 nan 8.230 nan 0.000 0.421 157 A N 2.996 125.861 122.820 0.076 0.000 2.304 157 A HA 0.841 5.150 4.320 -0.018 0.000 0.301 157 A C -1.151 176.132 177.584 -0.502 0.000 1.132 157 A CA -0.118 51.922 52.037 0.006 0.000 0.819 157 A CB 0.429 19.484 19.000 0.091 0.000 1.094 157 A HN 0.508 nan 8.150 nan 0.000 0.492 158 F N 0.619 120.563 119.950 -0.009 0.000 2.581 158 F HA 0.431 4.947 4.527 -0.018 0.000 0.311 158 F C -0.176 175.587 175.800 -0.061 0.000 1.113 158 F CA -0.665 57.282 58.000 -0.088 0.000 0.935 158 F CB 2.275 41.105 39.000 -0.283 0.000 1.232 158 F HN 0.322 nan 8.300 nan 0.000 0.445 159 V N 2.601 122.604 119.914 0.148 0.000 2.465 159 V HA 0.336 4.445 4.120 -0.018 0.000 0.279 159 V C -0.376 175.771 176.094 0.087 0.000 1.045 159 V CA -0.542 61.802 62.300 0.074 0.000 0.938 159 V CB 1.449 33.270 31.823 -0.003 0.000 0.986 159 V HN 0.763 nan 8.190 nan 0.000 0.467 160 Q N 2.835 122.634 119.800 -0.002 0.000 2.381 160 Q HA 0.246 4.575 4.340 -0.018 0.000 0.263 160 Q C 0.029 175.971 176.000 -0.095 0.000 1.030 160 Q CA -0.631 55.130 55.803 -0.069 0.000 0.772 160 Q CB 1.285 29.957 28.738 -0.109 0.000 1.232 160 Q HN 0.771 nan 8.270 nan 0.000 0.476 161 D N 3.507 123.825 120.400 -0.137 0.000 2.178 161 D HA -0.029 4.601 4.640 -0.018 0.000 0.201 161 D C 0.134 176.535 176.300 0.169 0.000 0.980 161 D CA 1.312 55.314 54.000 0.004 0.000 0.842 161 D CB 0.115 40.996 40.800 0.135 0.000 0.948 161 D HN 0.441 nan 8.370 nan 0.000 0.472 162 F N -4.280 115.669 119.950 -0.002 0.000 2.711 162 F HA 0.397 4.913 4.527 -0.018 0.000 0.313 162 F C -2.389 173.406 175.800 -0.008 0.000 1.141 162 F CA -2.270 55.724 58.000 -0.009 0.000 0.941 162 F CB 0.448 39.437 39.000 -0.018 0.000 1.349 162 F HN -0.413 nan 8.300 nan 0.000 0.464 163 P HA -0.202 nan 4.420 nan 0.000 0.219 163 P C 0.340 177.636 177.300 -0.006 0.000 1.158 163 P CA 2.450 65.587 63.100 0.062 0.000 0.895 163 P CB 0.129 31.891 31.700 0.103 0.000 0.792 164 E N -1.424 118.812 120.200 0.060 0.000 2.451 164 E HA 0.064 4.403 4.350 -0.018 0.000 0.194 164 E C -0.047 176.406 176.600 -0.244 0.000 1.027 164 E CA -0.246 56.144 56.400 -0.017 0.000 0.914 164 E CB -0.184 29.580 29.700 0.107 0.000 1.054 164 E HN 0.310 nan 8.360 nan 0.000 0.461 165 D N 0.777 120.765 120.400 -0.688 0.000 2.304 165 D HA 0.008 4.637 4.640 -0.018 0.000 0.247 165 D C -0.509 175.560 176.300 -0.385 0.000 1.089 165 D CA -0.053 53.420 54.000 -0.877 0.000 0.910 165 D CB 1.206 41.137 40.800 -1.447 0.000 1.199 165 D HN -0.163 nan 8.370 nan 0.000 0.426 166 S N 2.394 117.941 115.700 -0.254 0.000 2.411 166 S HA 0.411 4.870 4.470 -0.018 0.000 0.304 166 S C 1.079 175.601 174.600 -0.129 0.000 1.098 166 S CA -0.223 57.904 58.200 -0.121 0.000 1.068 166 S CB 0.250 63.422 63.200 -0.048 0.000 1.032 166 S HN 0.514 nan 8.310 nan 0.000 0.511 167 A N 5.019 127.668 122.820 -0.285 0.000 2.019 167 A HA -0.041 4.268 4.320 -0.018 0.000 0.219 167 A C 1.428 178.855 177.584 -0.261 0.000 1.164 167 A CA 0.992 52.866 52.037 -0.272 0.000 0.644 167 A CB -0.767 17.979 19.000 -0.424 0.000 0.805 167 A HN 0.996 nan 8.150 nan 0.000 0.449 168 W N -0.182 121.058 121.300 -0.100 0.000 2.387 168 W HA -0.001 4.648 4.660 -0.018 0.000 0.272 168 W C 2.341 178.965 176.519 0.175 0.000 1.224 168 W CA 0.757 58.033 57.345 -0.115 0.000 1.210 168 W CB -0.161 29.239 29.460 -0.100 0.000 1.125 168 W HN 0.374 nan 8.180 nan 0.000 0.572 169 A N -0.697 122.282 122.820 0.264 0.000 2.167 169 A HA -0.042 4.268 4.320 -0.018 0.000 0.214 169 A C 0.567 178.010 177.584 -0.236 0.000 1.151 169 A CA 0.739 52.848 52.037 0.120 0.000 0.735 169 A CB -0.558 18.422 19.000 -0.034 0.000 0.802 169 A HN 0.326 nan 8.150 nan 0.000 0.467 170 H N -0.019 119.191 119.070 0.233 0.000 2.386 170 H HA 0.247 4.792 4.556 -0.018 0.000 0.232 170 H C -2.917 172.471 175.328 0.101 0.000 1.416 170 H CA -2.327 53.803 56.048 0.137 0.000 1.285 170 H CB -0.275 29.541 29.762 0.089 0.000 1.625 170 H HN 0.349 nan 8.280 nan 0.000 0.521 171 P HA 0.010 nan 4.420 nan 0.000 0.271 171 P C 0.324 177.483 177.300 -0.234 0.000 1.216 171 P CA -0.264 62.697 63.100 -0.233 0.000 0.776 171 P CB 1.966 33.570 31.700 -0.160 0.000 0.881 172 V N 3.690 123.380 119.914 -0.372 0.000 2.240 172 V HA 0.134 4.243 4.120 -0.018 0.000 0.265 172 V C 0.721 176.668 176.094 -0.245 0.000 1.073 172 V CA -0.296 61.867 62.300 -0.229 0.000 0.857 172 V CB 0.128 31.820 31.823 -0.218 0.000 1.114 172 V HN 0.542 nan 8.190 nan 0.000 0.469 173 D N 2.982 123.232 120.400 -0.251 0.000 2.360 173 D HA 0.367 4.996 4.640 -0.018 0.000 0.242 173 D C 1.302 177.431 176.300 -0.285 0.000 1.184 173 D CA 1.478 55.221 54.000 -0.428 0.000 0.930 173 D CB 1.711 41.978 40.800 -0.888 0.000 1.161 173 D HN 0.739 nan 8.370 nan 0.000 0.447 174 G N 0.479 109.093 108.800 -0.311 0.000 2.159 174 G HA2 -0.219 3.730 3.960 -0.018 0.000 0.256 174 G HA3 -0.219 3.730 3.960 -0.018 0.000 0.256 174 G C -0.122 174.798 174.900 0.033 0.000 0.977 174 G CA 0.575 45.701 45.100 0.044 0.000 0.652 174 G HN 0.486 nan 8.290 nan 0.000 0.531 175 L N -0.133 121.078 121.223 -0.020 0.000 2.431 175 L HA 0.932 5.261 4.340 -0.018 0.000 0.266 175 L C -0.728 176.206 176.870 0.107 0.000 0.978 175 L CA -1.062 53.776 54.840 -0.003 0.000 0.822 175 L CB 2.417 44.395 42.059 -0.135 0.000 1.310 175 L HN 0.676 nan 8.230 nan 0.000 0.409 176 V N 3.746 123.755 119.914 0.159 0.000 3.000 176 V HA 0.963 5.072 4.120 -0.018 0.000 0.300 176 V C -1.484 174.652 176.094 0.070 0.000 1.251 176 V CA 0.328 62.756 62.300 0.213 0.000 0.972 176 V CB 2.078 34.058 31.823 0.261 0.000 1.065 176 V HN 1.233 nan 8.190 nan 0.000 0.431 177 A N 4.873 127.718 122.820 0.042 0.000 2.435 177 A HA 0.964 5.273 4.320 -0.018 0.000 0.304 177 A C -2.053 175.474 177.584 -0.094 0.000 1.064 177 A CA -0.466 51.474 52.037 -0.162 0.000 0.727 177 A CB 1.731 20.627 19.000 -0.173 0.000 1.284 177 A HN 0.868 nan 8.150 nan 0.000 0.415 178 Y N 0.302 120.461 120.300 -0.235 0.000 2.377 178 Y HA 0.625 5.164 4.550 -0.018 0.000 0.339 178 Y C -0.085 175.686 175.900 -0.216 0.000 1.011 178 Y CA -1.656 56.277 58.100 -0.278 0.000 1.093 178 Y CB 1.707 39.959 38.460 -0.346 0.000 1.201 178 Y HN 0.370 nan 8.280 nan 0.000 0.455 179 V N 2.877 122.770 119.914 -0.035 0.000 2.709 179 V HA 0.249 4.358 4.120 -0.018 0.000 0.308 179 V C -0.720 175.330 176.094 -0.073 0.000 1.062 179 V CA -1.083 61.174 62.300 -0.073 0.000 0.901 179 V CB 2.296 34.057 31.823 -0.102 0.000 1.003 179 V HN 0.679 nan 8.190 nan 0.000 0.425 180 D N 3.154 123.517 120.400 -0.062 0.000 2.380 180 D HA 0.153 4.782 4.640 -0.018 0.000 0.230 180 D C 0.990 177.257 176.300 -0.056 0.000 1.154 180 D CA -0.209 53.757 54.000 -0.057 0.000 0.859 180 D CB 1.919 42.694 40.800 -0.041 0.000 1.045 180 D HN 0.458 nan 8.370 nan 0.000 0.495 181 V N 2.305 122.177 119.914 -0.069 0.000 3.305 181 V HA -0.057 4.053 4.120 -0.018 0.000 0.269 181 V C 1.495 177.571 176.094 -0.031 0.000 1.157 181 V CA 0.512 62.773 62.300 -0.064 0.000 1.157 181 V CB -0.238 31.521 31.823 -0.107 0.000 0.772 181 V HN 0.376 nan 8.190 nan 0.000 0.498 182 V N 1.334 121.239 119.914 -0.014 0.000 2.581 182 V HA -0.031 4.079 4.120 -0.018 0.000 0.240 182 V C 2.740 178.837 176.094 0.004 0.000 1.054 182 V CA 1.734 64.046 62.300 0.021 0.000 1.076 182 V CB 0.155 32.006 31.823 0.045 0.000 0.748 182 V HN 0.716 nan 8.190 nan 0.000 0.474 183 S N -0.779 114.916 115.700 -0.008 0.000 2.527 183 S HA -0.005 4.454 4.470 -0.018 0.000 0.222 183 S C 0.827 175.418 174.600 -0.014 0.000 0.985 183 S CA 0.121 58.315 58.200 -0.011 0.000 0.921 183 S CB -0.393 62.798 63.200 -0.015 0.000 0.772 183 S HN 0.575 nan 8.310 nan 0.000 0.529 184 K N 1.143 121.531 120.400 -0.020 0.000 3.393 184 K HA -0.146 4.163 4.320 -0.018 0.000 0.272 184 K C -1.062 175.519 176.600 -0.031 0.000 1.004 184 K CA 0.807 57.079 56.287 -0.025 0.000 0.764 184 K CB -1.734 30.757 32.500 -0.015 0.000 1.373 184 K HN 0.693 nan 8.250 nan 0.000 0.458 185 E N 0.010 120.188 120.200 -0.037 0.000 2.266 185 E HA 0.350 4.689 4.350 -0.018 0.000 0.268 185 E C -0.527 176.042 176.600 -0.052 0.000 0.879 185 E CA -1.046 55.331 56.400 -0.038 0.000 0.762 185 E CB 2.389 32.072 29.700 -0.028 0.000 1.199 185 E HN -0.035 nan 8.360 nan 0.000 0.422 186 V N 3.116 122.996 119.914 -0.058 0.000 2.353 186 V HA 0.004 4.113 4.120 -0.018 0.000 0.264 186 V C 1.375 177.434 176.094 -0.059 0.000 1.049 186 V CA 0.210 62.464 62.300 -0.076 0.000 0.896 186 V CB 0.418 32.188 31.823 -0.088 0.000 1.025 186 V HN 0.947 nan 8.190 nan 0.000 0.475 187 T N 2.980 117.503 114.554 -0.053 0.000 2.812 187 T HA 0.093 4.433 4.350 -0.018 0.000 0.264 187 T C 0.805 175.460 174.700 -0.075 0.000 1.042 187 T CA 0.590 62.665 62.100 -0.042 0.000 1.140 187 T CB 0.215 69.074 68.868 -0.016 0.000 0.870 187 T HN 0.555 nan 8.240 nan 0.000 0.445 188 R N -0.483 119.930 120.500 -0.145 0.000 2.707 188 R HA 0.681 5.010 4.340 -0.018 0.000 0.272 188 R C -2.123 173.980 176.300 -0.328 0.000 1.011 188 R CA -0.810 55.133 56.100 -0.262 0.000 0.893 188 R CB 2.802 32.845 30.300 -0.428 0.000 1.233 188 R HN 0.042 nan 8.270 nan 0.000 0.464 189 V N 3.723 123.501 119.914 -0.226 0.000 2.447 189 V HA 0.451 4.560 4.120 -0.018 0.000 0.292 189 V C -0.461 175.554 176.094 -0.132 0.000 1.021 189 V CA -0.568 61.661 62.300 -0.119 0.000 0.850 189 V CB 1.769 33.617 31.823 0.041 0.000 1.005 189 V HN 0.578 nan 8.190 nan 0.000 0.426 190 I N 4.096 124.569 120.570 -0.162 0.000 2.339 190 I HA 0.484 4.643 4.170 -0.018 0.000 0.290 190 I C -0.763 175.339 176.117 -0.026 0.000 0.994 190 I CA -0.176 61.063 61.300 -0.102 0.000 1.191 190 I CB 1.750 39.669 38.000 -0.135 0.000 1.343 190 I HN 0.506 nan 8.210 nan 0.000 0.458 191 D N 4.661 125.054 120.400 -0.012 0.000 2.469 191 D HA 0.172 4.801 4.640 -0.018 0.000 0.251 191 D C 0.710 177.026 176.300 0.026 0.000 1.173 191 D CA -0.325 53.675 54.000 0.001 0.000 0.882 191 D CB 1.645 42.430 40.800 -0.025 0.000 1.129 191 D HN 0.629 nan 8.370 nan 0.000 0.549 192 T N 0.368 114.962 114.554 0.067 0.000 3.107 192 T HA 0.496 4.835 4.350 -0.018 0.000 0.249 192 T C 0.893 175.646 174.700 0.090 0.000 1.096 192 T CA 0.231 62.383 62.100 0.087 0.000 1.012 192 T CB 0.239 69.184 68.868 0.127 0.000 0.977 192 T HN 0.583 nan 8.240 nan 0.000 0.527 193 G N 0.882 109.732 108.800 0.084 0.000 2.317 193 G HA2 0.305 4.254 3.960 -0.018 0.000 0.445 193 G HA3 0.305 4.254 3.960 -0.018 0.000 0.445 193 G C -0.834 174.106 174.900 0.067 0.000 1.486 193 G CA -0.622 44.489 45.100 0.019 0.000 0.991 193 G HN 0.996 nan 8.290 nan 0.000 0.660 194 V N -1.123 118.771 119.914 -0.033 0.000 2.555 194 V HA 0.830 4.939 4.120 -0.018 0.000 0.286 194 V C -0.170 175.891 176.094 -0.056 0.000 1.044 194 V CA -0.644 61.660 62.300 0.005 0.000 1.026 194 V CB 0.651 32.449 31.823 -0.041 0.000 0.981 194 V HN 0.741 nan 8.190 nan 0.000 0.480 195 F N 3.711 123.627 119.950 -0.057 0.000 2.532 195 F HA 0.711 5.228 4.527 -0.018 0.000 0.321 195 F C -2.028 173.748 175.800 -0.040 0.000 1.089 195 F CA -2.405 55.567 58.000 -0.046 0.000 0.926 195 F CB 1.834 40.806 39.000 -0.047 0.000 1.168 195 F HN 0.402 nan 8.300 nan 0.000 0.459 196 P HA 0.145 nan 4.420 nan 0.000 0.268 196 P C -0.954 176.407 177.300 0.101 0.000 1.204 196 P CA -0.165 62.987 63.100 0.087 0.000 0.768 196 P CB 0.576 32.316 31.700 0.068 0.000 0.842 197 V N 6.535 126.489 119.914 0.067 0.000 2.408 197 V HA 0.176 4.285 4.120 -0.018 0.000 0.267 197 V C -1.877 174.281 176.094 0.106 0.000 1.047 197 V CA -1.590 60.752 62.300 0.069 0.000 0.937 197 V CB 0.544 32.389 31.823 0.037 0.000 0.999 197 V HN 0.579 nan 8.190 nan 0.000 0.472 198 P HA 0.021 nan 4.420 nan 0.000 0.260 198 P C 0.475 177.940 177.300 0.275 0.000 1.172 198 P CA 0.370 63.560 63.100 0.151 0.000 0.760 198 P CB 0.756 32.511 31.700 0.091 0.000 0.773 199 A N 3.685 126.625 122.820 0.201 0.000 1.943 199 A HA -0.032 4.277 4.320 -0.018 0.000 0.213 199 A C 0.854 178.624 177.584 0.310 0.000 1.181 199 A CA 0.515 52.680 52.037 0.214 0.000 0.653 199 A CB -0.493 18.577 19.000 0.117 0.000 0.833 199 A HN 0.554 nan 8.150 nan 0.000 0.451 200 E N 0.789 121.123 120.200 0.225 0.000 2.452 200 E HA 0.164 4.503 4.350 -0.018 0.000 0.261 200 E C -0.222 176.537 176.600 0.265 0.000 0.987 200 E CA 0.072 56.579 56.400 0.179 0.000 0.926 200 E CB 0.279 30.038 29.700 0.099 0.000 0.934 200 E HN 0.768 nan 8.360 nan 0.000 0.452 201 H N -0.144 119.091 119.070 0.274 0.000 2.508 201 H HA 0.464 5.009 4.556 -0.018 0.000 0.358 201 H C 0.506 175.928 175.328 0.157 0.000 1.212 201 H CA -0.809 55.372 56.048 0.222 0.000 1.356 201 H CB 1.091 31.003 29.762 0.250 0.000 1.525 201 H HN 0.470 nan 8.280 nan 0.000 0.578 202 G N 1.288 110.253 108.800 0.275 0.000 4.637 202 G HA2 0.060 4.009 3.960 -0.018 0.000 0.294 202 G HA3 0.060 4.009 3.960 -0.018 0.000 0.294 202 G C -0.703 174.179 174.900 -0.029 0.000 1.215 202 G CA -0.680 44.445 45.100 0.042 0.000 0.943 202 G HN 0.632 nan 8.290 nan 0.000 0.572 203 N N 1.706 120.526 118.700 0.199 0.000 2.482 203 N HA 0.107 4.836 4.740 -0.018 0.000 0.242 203 N C 0.718 176.139 175.510 -0.149 0.000 1.100 203 N CA -0.393 52.547 53.050 -0.183 0.000 0.946 203 N CB 0.687 39.063 38.487 -0.185 0.000 1.227 203 N HN 0.536 nan 8.380 nan 0.000 0.508 204 Y N -0.274 120.010 120.300 -0.026 0.000 2.632 204 Y HA 0.009 4.548 4.550 -0.018 0.000 0.301 204 Y C 1.685 177.577 175.900 -0.015 0.000 1.172 204 Y CA 0.183 58.257 58.100 -0.044 0.000 1.328 204 Y CB -0.602 37.794 38.460 -0.106 0.000 1.016 204 Y HN 0.318 nan 8.280 nan 0.000 0.529 205 T N -4.182 110.346 114.554 -0.042 0.000 3.044 205 T HA 0.075 4.414 4.350 -0.018 0.000 0.260 205 T C 0.019 174.718 174.700 -0.001 0.000 1.019 205 T CA -0.241 61.868 62.100 0.015 0.000 0.921 205 T CB -0.150 68.713 68.868 -0.008 0.000 1.053 205 T HN 0.185 nan 8.240 nan 0.000 0.533 206 D N 3.569 123.964 120.400 -0.008 0.000 2.325 206 D HA 0.205 4.834 4.640 -0.018 0.000 0.251 206 D C -1.061 175.265 176.300 0.043 0.000 1.196 206 D CA -2.483 51.517 54.000 -0.001 0.000 0.866 206 D CB 1.845 42.620 40.800 -0.043 0.000 1.101 206 D HN 0.036 nan 8.370 nan 0.000 0.476 207 P HA -0.211 nan 4.420 nan 0.000 0.218 207 P C 1.104 178.435 177.300 0.051 0.000 1.146 207 P CA 0.930 64.051 63.100 0.035 0.000 0.813 207 P CB 0.363 32.075 31.700 0.020 0.000 0.778 208 E N -0.597 119.642 120.200 0.065 0.000 2.153 208 E HA -0.177 4.162 4.350 -0.018 0.000 0.194 208 E C 1.828 178.494 176.600 0.111 0.000 0.988 208 E CA 0.718 57.172 56.400 0.090 0.000 0.811 208 E CB -0.243 29.530 29.700 0.122 0.000 0.746 208 E HN 0.117 nan 8.360 nan 0.000 0.466 209 L N 0.113 121.420 121.223 0.140 0.000 2.316 209 L HA 0.019 4.348 4.340 -0.018 0.000 0.207 209 L C 2.436 179.353 176.870 0.080 0.000 1.070 209 L CA 1.835 56.748 54.840 0.122 0.000 0.820 209 L CB -0.275 41.901 42.059 0.195 0.000 0.992 209 L HN 0.213 nan 8.230 nan 0.000 0.466 210 T N -2.719 111.880 114.554 0.075 0.000 2.985 210 T HA 0.374 4.713 4.350 -0.018 0.000 0.266 210 T C 1.187 175.912 174.700 0.042 0.000 1.076 210 T CA 0.490 62.623 62.100 0.055 0.000 1.135 210 T CB -0.749 68.151 68.868 0.053 0.000 0.890 210 T HN 0.705 nan 8.240 nan 0.000 0.480 211 G N 2.406 111.231 108.800 0.042 0.000 2.782 211 G HA2 -0.066 3.883 3.960 -0.018 0.000 0.228 211 G HA3 -0.066 3.883 3.960 -0.018 0.000 0.228 211 G C -2.741 172.174 174.900 0.026 0.000 1.372 211 G CA -0.567 44.553 45.100 0.032 0.000 0.862 211 G HN 0.566 nan 8.290 nan 0.000 0.547 212 P HA 0.301 nan 4.420 nan 0.000 0.267 212 P C 0.550 177.859 177.300 0.016 0.000 1.205 212 P CA 0.008 63.118 63.100 0.016 0.000 0.765 212 P CB 0.420 32.128 31.700 0.013 0.000 0.828 213 L N 3.761 124.993 121.223 0.015 0.000 2.461 213 L HA 0.163 4.492 4.340 -0.018 0.000 0.272 213 L C 1.466 178.342 176.870 0.009 0.000 1.197 213 L CA -0.316 54.531 54.840 0.013 0.000 0.836 213 L CB -0.056 42.011 42.059 0.013 0.000 1.105 213 L HN 0.337 nan 8.230 nan 0.000 0.477 214 R N 0.557 121.062 120.500 0.008 0.000 2.623 214 R HA 0.078 4.407 4.340 -0.018 0.000 0.271 214 R C 0.798 177.100 176.300 0.004 0.000 1.043 214 R CA 0.380 56.483 56.100 0.005 0.000 1.083 214 R CB 0.253 30.555 30.300 0.003 0.000 0.974 214 R HN 0.732 nan 8.270 nan 0.000 0.436 215 T N -3.734 110.822 114.554 0.003 0.000 3.145 215 T HA 0.005 4.344 4.350 -0.018 0.000 0.281 215 T C 1.134 175.835 174.700 0.001 0.000 1.003 215 T CA -0.009 62.093 62.100 0.002 0.000 0.901 215 T CB 0.300 69.169 68.868 0.003 0.000 1.112 215 T HN 0.657 nan 8.240 nan 0.000 0.535 216 T N -0.594 113.960 114.554 0.000 0.000 3.100 216 T HA 0.161 4.500 4.350 -0.018 0.000 0.253 216 T C 0.673 175.371 174.700 -0.003 0.000 1.118 216 T CA -0.148 61.951 62.100 -0.001 0.000 1.058 216 T CB -0.308 68.559 68.868 -0.002 0.000 0.953 216 T HN 0.426 nan 8.240 nan 0.000 0.515 217 Q N 2.156 121.954 119.800 -0.002 0.000 2.361 217 Q HA 0.280 4.609 4.340 -0.018 0.000 0.250 217 Q C -0.372 175.626 176.000 -0.003 0.000 1.023 217 Q CA -0.393 55.408 55.803 -0.004 0.000 0.915 217 Q CB 0.810 29.546 28.738 -0.004 0.000 1.238 217 Q HN 0.185 nan 8.270 nan 0.000 0.451 218 K N 3.516 123.914 120.400 -0.003 0.000 2.154 218 K HA 0.336 4.645 4.320 -0.018 0.000 0.264 218 K C -1.881 174.718 176.600 -0.002 0.000 1.008 218 K CA -1.647 54.638 56.287 -0.003 0.000 0.937 218 K CB 0.170 32.668 32.500 -0.003 0.000 1.002 218 K HN 0.495 nan 8.250 nan 0.000 0.469 219 P HA 0.234 nan 4.420 nan 0.000 0.271 219 P C -0.460 176.840 177.300 0.000 0.000 1.218 219 P CA -0.062 63.039 63.100 0.000 0.000 0.780 219 P CB 0.636 32.337 31.700 0.002 0.000 0.901 220 I N 1.090 121.661 120.570 0.002 0.000 2.410 220 I HA 0.137 4.296 4.170 -0.018 0.000 0.286 220 I C 0.299 176.420 176.117 0.006 0.000 1.009 220 I CA -0.551 60.751 61.300 0.003 0.000 1.111 220 I CB 1.767 39.768 38.000 0.002 0.000 1.262 220 I HN 0.288 nan 8.210 nan 0.000 0.443 221 S N 7.743 123.447 115.700 0.008 0.000 2.429 221 S HA 0.628 5.088 4.470 -0.018 0.000 0.302 221 S C -0.571 174.038 174.600 0.016 0.000 1.115 221 S CA -0.440 57.767 58.200 0.011 0.000 1.095 221 S CB 0.310 63.516 63.200 0.009 0.000 0.987 221 S HN 0.444 nan 8.310 nan 0.000 0.474 222 I N 5.324 125.905 120.570 0.019 0.000 2.382 222 I HA 0.381 4.540 4.170 -0.018 0.000 0.285 222 I C 0.112 176.246 176.117 0.029 0.000 1.007 222 I CA -0.374 60.943 61.300 0.029 0.000 1.142 222 I CB 1.808 39.829 38.000 0.036 0.000 1.289 222 I HN 0.692 nan 8.210 nan 0.000 0.453 223 T N 1.779 116.352 114.554 0.032 0.000 2.841 223 T HA 0.515 4.854 4.350 -0.018 0.000 0.296 223 T C -0.809 173.912 174.700 0.035 0.000 1.166 223 T CA -0.912 61.205 62.100 0.029 0.000 1.007 223 T CB 2.261 71.142 68.868 0.020 0.000 1.253 223 T HN 0.486 nan 8.240 nan 0.000 0.511 224 Q N 0.971 120.789 119.800 0.029 0.000 2.616 224 Q HA 0.276 4.605 4.340 -0.018 0.000 0.250 224 Q C -2.197 173.811 176.000 0.013 0.000 0.991 224 Q CA -1.938 53.882 55.803 0.028 0.000 0.707 224 Q CB 1.873 30.630 28.738 0.032 0.000 1.247 224 Q HN 0.492 nan 8.270 nan 0.000 0.491 225 P HA -0.220 nan 4.420 nan 0.000 0.217 225 P C 0.136 177.437 177.300 0.002 0.000 1.151 225 P CA 1.460 64.564 63.100 0.008 0.000 0.849 225 P CB 0.349 32.054 31.700 0.009 0.000 0.787 226 E N -1.039 119.161 120.200 0.000 0.000 2.465 226 E HA 0.363 4.702 4.350 -0.018 0.000 0.195 226 E C 0.830 177.418 176.600 -0.021 0.000 1.028 226 E CA 0.020 56.415 56.400 -0.007 0.000 0.899 226 E CB 0.054 29.752 29.700 -0.003 0.000 1.032 226 E HN 0.140 nan 8.360 nan 0.000 0.468 227 G N 3.011 111.796 108.800 -0.025 0.000 2.796 227 G HA2 -0.192 3.757 3.960 -0.018 0.000 0.571 227 G HA3 -0.192 3.757 3.960 -0.018 0.000 0.571 227 G C -2.708 172.144 174.900 -0.080 0.000 1.370 227 G CA -0.886 44.180 45.100 -0.057 0.000 0.856 227 G HN 0.019 nan 8.290 nan 0.000 0.538 228 P HA 0.351 nan 4.420 nan 0.000 0.274 228 P C 0.594 177.771 177.300 -0.204 0.000 1.237 228 P CA 0.109 63.051 63.100 -0.262 0.000 0.793 228 P CB 1.240 32.486 31.700 -0.757 0.000 0.977 229 S N 0.055 115.766 115.700 0.017 0.000 2.558 229 S HA 0.113 4.572 4.470 -0.018 0.000 0.217 229 S C 0.697 175.453 174.600 0.260 0.000 0.975 229 S CA 0.108 58.393 58.200 0.142 0.000 0.912 229 S CB -0.751 62.595 63.200 0.243 0.000 0.776 229 S HN 0.566 nan 8.310 nan 0.000 0.526 230 F N 1.990 122.136 119.950 0.327 0.000 2.403 230 F HA 0.752 5.268 4.527 -0.019 0.000 0.326 230 F C 0.160 176.048 175.800 0.147 0.000 1.081 230 F CA -1.154 57.026 58.000 0.299 0.000 1.041 230 F CB 0.327 39.479 39.000 0.252 0.000 1.234 230 F HN -0.142 nan 8.300 nan 0.000 0.503 231 T N -0.290 114.462 114.554 0.331 0.000 2.885 231 T HA 0.754 5.093 4.350 -0.018 0.000 0.285 231 T C -1.123 173.741 174.700 0.273 0.000 1.019 231 T CA -0.816 61.404 62.100 0.200 0.000 1.010 231 T CB 1.554 70.505 68.868 0.140 0.000 1.022 231 T HN 0.681 nan 8.240 nan 0.000 0.466 232 V N 3.138 123.181 119.914 0.214 0.000 2.407 232 V HA 0.697 4.806 4.120 -0.018 0.000 0.291 232 V C 0.267 176.455 176.094 0.155 0.000 1.018 232 V CA -0.652 61.764 62.300 0.195 0.000 0.842 232 V CB 1.275 33.218 31.823 0.200 0.000 0.996 232 V HN 1.308 nan 8.190 nan 0.000 0.426 233 T N 0.092 114.753 114.554 0.179 0.000 2.906 233 T HA 0.690 5.029 4.350 -0.018 0.000 0.295 233 T C 0.791 175.580 174.700 0.149 0.000 1.075 233 T CA -0.062 62.128 62.100 0.149 0.000 1.005 233 T CB 1.805 70.760 68.868 0.146 0.000 1.136 233 T HN 1.764 nan 8.240 nan 0.000 0.498 234 G N -0.107 108.751 108.800 0.096 0.000 2.203 234 G HA2 0.112 4.061 3.960 -0.018 0.000 0.263 234 G HA3 0.112 4.061 3.960 -0.018 0.000 0.263 234 G C 1.346 176.299 174.900 0.089 0.000 1.012 234 G CA 0.961 46.110 45.100 0.081 0.000 0.749 234 G HN 2.424 nan 8.290 nan 0.000 0.512 235 G N -0.114 108.739 108.800 0.089 0.000 2.435 235 G HA2 -0.283 3.666 3.960 -0.018 0.000 0.245 235 G HA3 -0.283 3.666 3.960 -0.018 0.000 0.245 235 G C 0.882 175.834 174.900 0.086 0.000 1.073 235 G CA 1.390 46.538 45.100 0.079 0.000 0.638 235 G HN 2.246 nan 8.290 nan 0.000 0.521 236 N N -0.365 118.399 118.700 0.107 0.000 2.193 236 N HA 0.157 4.886 4.740 -0.018 0.000 0.236 236 N C -0.346 175.230 175.510 0.109 0.000 1.347 236 N CA 0.336 53.441 53.050 0.092 0.000 0.812 236 N CB -0.267 38.269 38.487 0.082 0.000 1.297 236 N HN 0.545 nan 8.380 nan 0.000 0.499 237 H N 1.365 120.469 119.070 0.057 0.000 2.604 237 H HA 0.482 5.027 4.556 -0.018 0.000 0.306 237 H C -0.466 174.905 175.328 0.072 0.000 1.075 237 H CA -0.312 55.769 56.048 0.055 0.000 1.357 237 H CB 0.581 30.379 29.762 0.060 0.000 1.426 237 H HN 0.004 nan 8.280 nan 0.000 0.470 238 I N 4.796 125.117 120.570 -0.415 0.000 2.412 238 I HA 0.269 4.428 4.170 -0.018 0.000 0.296 238 I C -0.169 175.816 176.117 -0.220 0.000 0.987 238 I CA -0.699 60.476 61.300 -0.208 0.000 1.180 238 I CB 1.544 39.441 38.000 -0.172 0.000 1.340 238 I HN 0.661 nan 8.210 nan 0.000 0.455 239 E N 5.378 125.611 120.200 0.054 0.000 2.241 239 E HA 0.312 4.651 4.350 -0.018 0.000 0.263 239 E C -1.731 175.059 176.600 0.316 0.000 0.882 239 E CA -0.437 56.048 56.400 0.143 0.000 0.769 239 E CB 2.861 32.651 29.700 0.151 0.000 1.185 239 E HN 0.628 nan 8.360 nan 0.000 0.415 240 W N 3.703 125.068 121.300 0.109 0.000 3.326 240 W HA 0.151 4.801 4.660 -0.018 0.000 0.333 240 W C -0.450 176.169 176.519 0.167 0.000 1.108 240 W CA -0.404 57.033 57.345 0.154 0.000 1.245 240 W CB 0.902 30.453 29.460 0.150 0.000 1.331 240 W HN 0.323 nan 8.180 nan 0.000 0.464 241 E N 5.816 125.667 120.200 -0.583 0.000 2.199 241 E HA -0.320 4.019 4.350 -0.018 0.000 0.208 241 E C 0.580 176.880 176.600 -0.501 0.000 1.310 241 E CA 1.877 57.862 56.400 -0.691 0.000 0.709 241 E CB -1.015 27.876 29.700 -1.348 0.000 1.127 241 E HN 0.900 nan 8.360 nan 0.000 0.354 242 K N -3.831 116.310 120.400 -0.432 0.000 3.615 242 K HA -0.246 4.063 4.320 -0.018 0.000 0.269 242 K C 0.185 176.373 176.600 -0.687 0.000 1.107 242 K CA 1.754 57.627 56.287 -0.690 0.000 1.059 242 K CB -1.386 30.373 32.500 -1.234 0.000 1.317 242 K HN 0.256 nan 8.250 nan 0.000 0.494 243 W N 1.792 122.901 121.300 -0.320 0.000 2.237 243 W HA 0.413 5.063 4.660 -0.017 0.000 0.335 243 W C 0.704 177.206 176.519 -0.027 0.000 1.230 243 W CA -0.014 57.288 57.345 -0.071 0.000 1.253 243 W CB 1.315 30.876 29.460 0.168 0.000 1.129 243 W HN 0.008 nan 8.180 nan 0.000 0.590 244 S N 4.004 119.869 115.700 0.275 0.000 2.575 244 S HA 0.833 5.292 4.470 -0.018 0.000 0.278 244 S C -1.143 173.489 174.600 0.053 0.000 1.139 244 S CA -0.743 57.518 58.200 0.103 0.000 0.954 244 S CB 0.176 63.456 63.200 0.134 0.000 1.054 244 S HN 0.594 nan 8.310 nan 0.000 0.483 245 L N 1.010 122.146 121.223 -0.145 0.000 3.020 245 L HA 0.741 5.070 4.340 -0.018 0.000 0.273 245 L C -2.120 174.639 176.870 -0.185 0.000 1.018 245 L CA -1.055 53.710 54.840 -0.125 0.000 0.950 245 L CB 1.617 43.605 42.059 -0.118 0.000 1.510 245 L HN 0.411 nan 8.230 nan 0.000 0.404 246 D N 1.410 121.763 120.400 -0.077 0.000 2.391 246 D HA 0.476 5.105 4.640 -0.018 0.000 0.245 246 D C -0.806 175.504 176.300 0.017 0.000 1.069 246 D CA -0.276 53.732 54.000 0.013 0.000 0.831 246 D CB 3.237 44.081 40.800 0.073 0.000 1.204 246 D HN 0.366 nan 8.370 nan 0.000 0.503 247 V N 2.223 122.143 119.914 0.010 0.000 2.353 247 V HA 0.471 4.580 4.120 -0.018 0.000 0.264 247 V C 0.960 177.110 176.094 0.095 0.000 1.049 247 V CA -0.345 61.955 62.300 0.000 0.000 0.896 247 V CB 1.061 32.860 31.823 -0.040 0.000 1.025 247 V HN 0.595 nan 8.190 nan 0.000 0.475 248 G N 3.215 112.111 108.800 0.160 0.000 2.521 248 G HA2 0.717 4.666 3.960 -0.018 0.000 0.323 248 G HA3 0.717 4.666 3.960 -0.018 0.000 0.323 248 G C -1.549 173.457 174.900 0.178 0.000 1.211 248 G CA -0.480 44.750 45.100 0.216 0.000 0.979 248 G HN 0.476 nan 8.290 nan 0.000 0.490 249 F N -0.051 119.888 119.950 -0.018 0.000 2.588 249 F HA 0.503 5.019 4.527 -0.018 0.000 0.314 249 F C -1.467 174.292 175.800 -0.068 0.000 1.134 249 F CA -0.920 57.021 58.000 -0.098 0.000 0.961 249 F CB 2.560 41.484 39.000 -0.127 0.000 1.239 249 F HN 0.531 nan 8.300 nan 0.000 0.448 250 D N 3.759 123.795 120.400 -0.608 0.000 2.619 250 D HA 0.309 4.938 4.640 -0.018 0.000 0.241 250 D C 0.184 176.146 176.300 -0.563 0.000 1.087 250 D CA -0.569 53.219 54.000 -0.352 0.000 0.851 250 D CB 2.422 43.136 40.800 -0.143 0.000 1.474 250 D HN 0.377 nan 8.370 nan 0.000 0.478 251 V N 4.309 124.077 119.914 -0.243 0.000 2.594 251 V HA -0.132 3.977 4.120 -0.018 0.000 0.253 251 V C 2.030 178.066 176.094 -0.098 0.000 1.069 251 V CA 2.212 64.415 62.300 -0.162 0.000 1.082 251 V CB -0.392 31.389 31.823 -0.070 0.000 0.680 251 V HN 0.638 nan 8.190 nan 0.000 0.469 252 R N -0.434 120.070 120.500 0.007 0.000 2.052 252 R HA -0.040 4.289 4.340 -0.018 0.000 0.224 252 R C 2.226 178.481 176.300 -0.075 0.000 1.149 252 R CA 1.666 57.762 56.100 -0.008 0.000 0.962 252 R CB -0.223 30.026 30.300 -0.085 0.000 0.856 252 R HN 0.589 nan 8.270 nan 0.000 0.433 253 E N -0.530 119.605 120.200 -0.108 0.000 2.299 253 E HA 0.131 4.470 4.350 -0.018 0.000 0.193 253 E C 0.745 177.198 176.600 -0.246 0.000 0.998 253 E CA 0.389 56.736 56.400 -0.089 0.000 0.851 253 E CB 0.496 30.189 29.700 -0.012 0.000 0.795 253 E HN 0.573 nan 8.360 nan 0.000 0.492 254 G N 0.769 109.192 108.800 -0.628 0.000 2.481 254 G HA2 -0.286 3.663 3.960 -0.018 0.000 0.230 254 G HA3 -0.286 3.663 3.960 -0.018 0.000 0.230 254 G C -0.159 174.139 174.900 -1.003 0.000 1.210 254 G CA -0.372 44.013 45.100 -1.192 0.000 0.936 254 G HN 0.096 nan 8.290 nan 0.000 0.583 255 V N 0.727 120.217 119.914 -0.706 0.000 2.585 255 V HA 0.418 4.527 4.120 -0.018 0.000 0.296 255 V C 0.751 176.800 176.094 -0.076 0.000 1.035 255 V CA 0.215 62.438 62.300 -0.128 0.000 1.084 255 V CB 0.960 32.881 31.823 0.164 0.000 0.953 255 V HN 0.911 nan 8.190 nan 0.000 0.483 256 V N 6.726 126.545 119.914 -0.158 0.000 2.588 256 V HA 0.459 4.568 4.120 -0.018 0.000 0.304 256 V C -0.214 175.615 176.094 -0.443 0.000 1.042 256 V CA -0.641 61.475 62.300 -0.306 0.000 0.877 256 V CB 1.903 33.557 31.823 -0.282 0.000 0.996 256 V HN 0.607 nan 8.190 nan 0.000 0.425 257 L N 5.063 125.891 121.223 -0.659 0.000 2.275 257 L HA 0.607 4.936 4.340 -0.018 0.000 0.288 257 L C -0.319 176.193 176.870 -0.596 0.000 1.046 257 L CA -0.503 53.982 54.840 -0.593 0.000 0.805 257 L CB 0.848 42.460 42.059 -0.746 0.000 1.193 257 L HN 0.619 nan 8.230 nan 0.000 0.426 258 H N 3.712 122.619 119.070 -0.271 0.000 2.569 258 H HA 0.266 4.811 4.556 -0.018 0.000 0.357 258 H C -0.146 174.980 175.328 -0.338 0.000 1.153 258 H CA -0.718 55.144 56.048 -0.309 0.000 1.193 258 H CB 1.871 31.414 29.762 -0.366 0.000 1.602 258 H HN 0.569 nan 8.280 nan 0.000 0.523 259 N N 1.418 119.979 118.700 -0.231 0.000 2.705 259 N HA -0.200 4.529 4.740 -0.018 0.000 0.255 259 N C -0.294 175.157 175.510 -0.099 0.000 1.008 259 N CA 0.503 53.428 53.050 -0.208 0.000 0.742 259 N CB -1.248 37.059 38.487 -0.300 0.000 0.906 259 N HN 0.545 nan 8.380 nan 0.000 0.541 260 I N 0.518 121.036 120.570 -0.086 0.000 2.517 260 I HA 0.237 4.396 4.170 -0.018 0.000 0.285 260 I C 1.018 177.195 176.117 0.100 0.000 1.106 260 I CA 0.215 61.529 61.300 0.024 0.000 1.402 260 I CB 0.501 38.495 38.000 -0.011 0.000 1.399 260 I HN 0.317 nan 8.210 nan 0.000 0.535 261 A N 6.948 129.892 122.820 0.207 0.000 2.566 261 A HA 0.802 5.111 4.320 -0.018 0.000 0.292 261 A C -1.609 176.123 177.584 0.246 0.000 1.112 261 A CA -0.450 51.696 52.037 0.182 0.000 0.707 261 A CB 1.660 20.721 19.000 0.102 0.000 1.302 261 A HN 0.519 nan 8.150 nan 0.000 0.409 262 F N 0.548 120.497 119.950 -0.001 0.000 2.539 262 F HA 0.568 5.084 4.527 -0.018 0.000 0.318 262 F C 0.209 176.019 175.800 0.017 0.000 1.135 262 F CA -0.462 57.469 58.000 -0.115 0.000 0.915 262 F CB 1.863 40.730 39.000 -0.221 0.000 1.176 262 F HN 0.587 nan 8.300 nan 0.000 0.440 263 R N 3.653 124.071 120.500 -0.136 0.000 2.272 263 R HA 0.149 4.478 4.340 -0.018 0.000 0.334 263 R C -1.175 175.218 176.300 0.155 0.000 1.117 263 R CA -0.270 55.828 56.100 -0.002 0.000 0.966 263 R CB 0.113 30.349 30.300 -0.106 0.000 1.049 263 R HN 0.448 nan 8.270 nan 0.000 0.477 264 D N 2.867 123.441 120.400 0.290 0.000 2.473 264 D HA 0.268 4.897 4.640 -0.018 0.000 0.226 264 D C 1.032 177.424 176.300 0.153 0.000 1.089 264 D CA 0.581 54.776 54.000 0.326 0.000 0.883 264 D CB 0.817 41.846 40.800 0.381 0.000 1.029 264 D HN 0.655 nan 8.370 nan 0.000 0.517 265 G N 4.663 113.526 108.800 0.106 0.000 2.557 265 G HA2 -0.314 3.635 3.960 -0.018 0.000 0.292 265 G HA3 -0.314 3.635 3.960 -0.018 0.000 0.292 265 G C 0.584 175.507 174.900 0.038 0.000 1.162 265 G CA 0.460 45.594 45.100 0.057 0.000 0.964 265 G HN 0.610 nan 8.290 nan 0.000 0.541 266 D N 1.395 121.813 120.400 0.031 0.000 2.368 266 D HA 0.188 4.817 4.640 -0.018 0.000 0.218 266 D C 0.853 177.167 176.300 0.023 0.000 1.112 266 D CA 0.127 54.139 54.000 0.021 0.000 0.834 266 D CB 0.302 41.110 40.800 0.013 0.000 0.953 266 D HN 0.580 nan 8.370 nan 0.000 0.505 267 R N 0.480 121.002 120.500 0.035 0.000 2.599 267 R HA 0.422 4.751 4.340 -0.018 0.000 0.295 267 R C -1.142 175.193 176.300 0.058 0.000 0.963 267 R CA -1.063 55.057 56.100 0.034 0.000 0.883 267 R CB 2.289 32.599 30.300 0.017 0.000 1.171 267 R HN -0.023 nan 8.270 nan 0.000 0.450 268 L N 3.833 125.085 121.223 0.048 0.000 2.268 268 L HA 0.307 4.636 4.340 -0.018 0.000 0.289 268 L C -0.479 176.434 176.870 0.072 0.000 1.064 268 L CA 0.043 54.922 54.840 0.065 0.000 0.824 268 L CB 0.338 42.426 42.059 0.048 0.000 1.202 268 L HN 0.435 nan 8.230 nan 0.000 0.433 269 R N 7.154 127.733 120.500 0.131 0.000 2.207 269 R HA 0.434 4.763 4.340 -0.018 0.000 0.334 269 R C -2.318 174.080 176.300 0.164 0.000 1.013 269 R CA -1.757 54.429 56.100 0.142 0.000 0.858 269 R CB 0.726 31.138 30.300 0.187 0.000 1.094 269 R HN 0.497 nan 8.270 nan 0.000 0.457 270 P HA 0.079 nan 4.420 nan 0.000 0.272 270 P C -0.115 177.183 177.300 -0.003 0.000 1.223 270 P CA 0.088 63.183 63.100 -0.008 0.000 0.784 270 P CB 1.271 32.891 31.700 -0.133 0.000 0.923 271 I N 0.704 121.216 120.570 -0.097 0.000 3.746 271 I HA 0.250 4.409 4.170 -0.018 0.000 0.262 271 I C 0.706 176.692 176.117 -0.219 0.000 1.153 271 I CA 0.200 61.348 61.300 -0.254 0.000 1.395 271 I CB 0.406 38.148 38.000 -0.430 0.000 1.589 271 I HN 0.139 nan 8.210 nan 0.000 0.441 272 I N 1.488 121.960 120.570 -0.162 0.000 2.499 272 I HA 0.170 4.329 4.170 -0.018 0.000 0.288 272 I C 0.615 176.652 176.117 -0.133 0.000 1.048 272 I CA -0.243 60.974 61.300 -0.139 0.000 1.062 272 I CB 2.144 40.062 38.000 -0.136 0.000 1.238 272 I HN 0.124 nan 8.210 nan 0.000 0.426 273 N N 5.364 124.006 118.700 -0.098 0.000 2.171 273 N HA 0.010 4.739 4.740 -0.018 0.000 0.184 273 N C 0.535 175.985 175.510 -0.099 0.000 1.021 273 N CA 0.988 53.999 53.050 -0.065 0.000 0.854 273 N CB 0.556 39.110 38.487 0.112 0.000 0.994 273 N HN 0.549 nan 8.380 nan 0.000 0.426 274 R N -0.127 120.290 120.500 -0.139 0.000 2.515 274 R HA 0.468 4.797 4.340 -0.018 0.000 0.278 274 R C -2.098 174.033 176.300 -0.280 0.000 1.107 274 R CA -0.499 55.452 56.100 -0.248 0.000 0.945 274 R CB 1.802 32.001 30.300 -0.168 0.000 1.219 274 R HN 0.044 nan 8.270 nan 0.000 0.434 275 A N 2.391 124.969 122.820 -0.403 0.000 2.343 275 A HA 0.729 5.038 4.320 -0.018 0.000 0.308 275 A C -1.027 176.324 177.584 -0.387 0.000 1.092 275 A CA -0.420 51.389 52.037 -0.380 0.000 0.751 275 A CB 1.536 20.194 19.000 -0.570 0.000 1.203 275 A HN 0.820 nan 8.150 nan 0.000 0.452 276 S N 1.361 117.014 115.700 -0.078 0.000 2.615 276 S HA 0.683 5.142 4.470 -0.018 0.000 0.269 276 S C -1.161 173.568 174.600 0.215 0.000 1.161 276 S CA -0.712 57.536 58.200 0.081 0.000 0.817 276 S CB 0.937 64.112 63.200 -0.041 0.000 1.131 276 S HN 0.542 nan 8.310 nan 0.000 0.467 277 I N 2.211 122.934 120.570 0.255 0.000 2.287 277 I HA 0.410 4.569 4.170 -0.018 0.000 0.290 277 I C 1.280 177.514 176.117 0.194 0.000 1.069 277 I CA -0.536 60.897 61.300 0.222 0.000 1.237 277 I CB 0.285 38.502 38.000 0.361 0.000 1.418 277 I HN 0.989 nan 8.210 nan 0.000 0.481 278 A N 5.092 128.000 122.820 0.146 0.000 2.169 278 A HA 0.117 4.426 4.320 -0.018 0.000 0.212 278 A C 0.721 178.381 177.584 0.127 0.000 1.153 278 A CA 0.847 52.997 52.037 0.188 0.000 0.756 278 A CB 0.082 19.208 19.000 0.211 0.000 0.813 278 A HN 0.645 nan 8.150 nan 0.000 0.471 279 E N -1.812 118.406 120.200 0.030 0.000 2.388 279 E HA 0.549 4.888 4.350 -0.018 0.000 0.281 279 E C -1.238 175.355 176.600 -0.011 0.000 1.046 279 E CA -0.313 56.059 56.400 -0.046 0.000 0.825 279 E CB 0.917 30.412 29.700 -0.341 0.000 1.243 279 E HN 0.232 nan 8.360 nan 0.000 0.438 280 M N 4.310 123.911 119.600 0.002 0.000 2.206 280 M HA 0.549 5.018 4.480 -0.018 0.000 0.272 280 M C -2.001 174.183 176.300 -0.194 0.000 1.012 280 M CA -0.770 54.410 55.300 -0.199 0.000 0.986 280 M CB 1.496 33.973 32.600 -0.204 0.000 1.740 280 M HN 0.390 nan 8.290 nan 0.000 0.472 281 V N 5.661 125.395 119.914 -0.300 0.000 2.680 281 V HA 0.763 4.872 4.120 -0.018 0.000 0.309 281 V C -1.414 174.447 176.094 -0.389 0.000 1.052 281 V CA -0.341 61.700 62.300 -0.431 0.000 0.908 281 V CB 2.313 33.730 31.823 -0.676 0.000 1.001 281 V HN 0.696 nan 8.190 nan 0.000 0.431 282 V N 8.584 128.336 119.914 -0.271 0.000 2.276 282 V HA 0.423 4.532 4.120 -0.018 0.000 0.268 282 V C -2.431 173.607 176.094 -0.092 0.000 1.032 282 V CA -1.318 60.841 62.300 -0.234 0.000 0.810 282 V CB 1.343 33.053 31.823 -0.187 0.000 1.060 282 V HN 0.818 nan 8.190 nan 0.000 0.446 283 P HA 0.352 nan 4.420 nan 0.000 0.290 283 P C -1.327 175.888 177.300 -0.142 0.000 1.276 283 P CA -0.379 62.672 63.100 -0.081 0.000 0.808 283 P CB 1.172 32.796 31.700 -0.126 0.000 0.966 284 Y N 0.784 121.048 120.300 -0.060 0.000 2.334 284 Y HA 0.459 4.998 4.550 -0.018 0.000 0.328 284 Y C 1.738 177.622 175.900 -0.027 0.000 1.130 284 Y CA 0.332 58.407 58.100 -0.041 0.000 1.163 284 Y CB 1.382 39.762 38.460 -0.134 0.000 1.207 284 Y HN 0.485 nan 8.280 nan 0.000 0.471 285 G N 1.417 110.269 108.800 0.086 0.000 3.707 285 G HA2 0.016 3.965 3.960 -0.018 0.000 0.286 285 G HA3 0.016 3.965 3.960 -0.018 0.000 0.286 285 G C -0.729 174.218 174.900 0.078 0.000 1.112 285 G CA -0.188 44.964 45.100 0.087 0.000 0.861 285 G HN 0.514 nan 8.290 nan 0.000 0.534 286 D N 1.070 121.504 120.400 0.057 0.000 2.317 286 D HA 0.264 4.893 4.640 -0.018 0.000 0.234 286 D C -1.046 175.240 176.300 -0.024 0.000 1.112 286 D CA -2.424 51.573 54.000 -0.006 0.000 0.840 286 D CB 2.271 43.064 40.800 -0.011 0.000 1.078 286 D HN 0.030 nan 8.370 nan 0.000 0.486 287 P HA -0.046 nan 4.420 nan 0.000 0.239 287 P C 0.381 177.673 177.300 -0.013 0.000 1.184 287 P CA 0.011 63.106 63.100 -0.008 0.000 0.760 287 P CB 0.163 31.867 31.700 0.007 0.000 0.884 288 S N 1.508 117.192 115.700 -0.028 0.000 2.552 288 S HA 0.083 4.543 4.470 -0.018 0.000 0.289 288 S C -1.347 173.253 174.600 -0.000 0.000 1.304 288 S CA -0.909 57.282 58.200 -0.014 0.000 1.063 288 S CB 0.278 63.451 63.200 -0.046 0.000 0.848 288 S HN -0.061 nan 8.310 nan 0.000 0.499 289 P HA -0.067 nan 4.420 nan 0.000 0.223 289 P C 1.111 178.536 177.300 0.208 0.000 1.144 289 P CA 0.599 63.772 63.100 0.121 0.000 0.783 289 P CB 0.050 31.826 31.700 0.128 0.000 0.771 290 I N -0.969 119.680 120.570 0.131 0.000 2.546 290 I HA -0.100 4.059 4.170 -0.018 0.000 0.255 290 I C 1.657 177.868 176.117 0.155 0.000 1.163 290 I CA 1.536 62.952 61.300 0.194 0.000 1.457 290 I CB -0.861 37.163 38.000 0.040 0.000 1.092 290 I HN 0.046 nan 8.210 nan 0.000 0.434 291 R N -0.607 119.779 120.500 -0.190 0.000 2.539 291 R HA 0.106 4.435 4.340 -0.018 0.000 0.342 291 R C 1.809 177.647 176.300 -0.771 0.000 0.941 291 R CA 0.440 56.129 56.100 -0.685 0.000 1.146 291 R CB 0.270 30.326 30.300 -0.406 0.000 1.541 291 R HN 0.250 nan 8.270 nan 0.000 0.525 292 S N 0.722 116.167 115.700 -0.425 0.000 2.537 292 S HA -0.100 4.359 4.470 -0.018 0.000 0.240 292 S C 1.302 175.712 174.600 -0.316 0.000 0.981 292 S CA 0.294 58.336 58.200 -0.263 0.000 0.948 292 S CB -0.381 62.757 63.200 -0.105 0.000 0.759 292 S HN 0.615 nan 8.310 nan 0.000 0.531 293 W N 0.646 121.782 121.300 -0.273 0.000 3.220 293 W HA 0.384 5.033 4.660 -0.018 0.000 0.328 293 W C 0.469 176.994 176.519 0.009 0.000 1.205 293 W CA -0.638 56.445 57.345 -0.436 0.000 1.773 293 W CB -0.600 28.493 29.460 -0.612 0.000 1.086 293 W HN 0.297 nan 8.180 nan 0.000 0.622 294 Q N 3.053 122.442 119.800 -0.685 0.000 2.300 294 Q HA 0.104 4.433 4.340 -0.018 0.000 0.262 294 Q C -0.802 175.168 176.000 -0.049 0.000 1.109 294 Q CA 0.639 56.087 55.803 -0.592 0.000 0.905 294 Q CB 0.092 28.168 28.738 -1.105 0.000 1.280 294 Q HN 0.012 nan 8.270 nan 0.000 0.426 295 N N 4.757 123.518 118.700 0.101 0.000 2.549 295 N HA 0.132 4.861 4.740 -0.018 0.000 0.290 295 N C -1.865 173.784 175.510 0.232 0.000 1.122 295 N CA -0.405 52.758 53.050 0.189 0.000 0.885 295 N CB 1.097 39.728 38.487 0.240 0.000 1.455 295 N HN 0.439 nan 8.380 nan 0.000 0.521 296 Y N 1.246 121.602 120.300 0.094 0.000 2.383 296 Y HA 0.356 4.895 4.550 -0.018 0.000 0.344 296 Y C 0.108 176.058 175.900 0.083 0.000 0.986 296 Y CA -0.498 57.714 58.100 0.187 0.000 1.175 296 Y CB 0.286 38.768 38.460 0.036 0.000 1.152 296 Y HN 0.353 nan 8.280 nan 0.000 0.511 297 F N 3.849 124.032 119.950 0.388 0.000 2.384 297 F HA 0.326 4.842 4.527 -0.018 0.000 0.359 297 F C 1.260 177.272 175.800 0.353 0.000 1.143 297 F CA -0.705 57.457 58.000 0.270 0.000 1.216 297 F CB 0.538 39.661 39.000 0.206 0.000 1.512 297 F HN 0.480 nan 8.300 nan 0.000 0.573 298 K N 0.148 120.754 120.400 0.344 0.000 2.103 298 K HA -0.125 4.184 4.320 -0.018 0.000 0.207 298 K C 1.648 178.462 176.600 0.356 0.000 1.048 298 K CA 1.754 58.225 56.287 0.306 0.000 0.930 298 K CB -0.195 32.383 32.500 0.132 0.000 0.716 298 K HN 0.451 nan 8.250 nan 0.000 0.444 299 T N 0.241 114.951 114.554 0.261 0.000 2.735 299 T HA -0.055 4.284 4.350 -0.018 0.000 0.256 299 T C 2.032 176.805 174.700 0.121 0.000 1.042 299 T CA 1.448 63.656 62.100 0.179 0.000 1.147 299 T CB -0.448 68.492 68.868 0.121 0.000 0.865 299 T HN 0.446 nan 8.240 nan 0.000 0.421 300 G N 0.922 109.800 108.800 0.129 0.000 2.403 300 G HA2 -0.106 3.843 3.960 -0.018 0.000 0.216 300 G HA3 -0.106 3.843 3.960 -0.018 0.000 0.216 300 G C 1.451 176.390 174.900 0.066 0.000 1.154 300 G CA 0.488 45.590 45.100 0.004 0.000 0.784 300 G HN 0.497 nan 8.290 nan 0.000 0.538 301 E N -1.073 119.268 120.200 0.236 0.000 2.166 301 E HA 0.083 4.422 4.350 -0.018 0.000 0.192 301 E C 1.902 178.598 176.600 0.159 0.000 0.967 301 E CA 0.356 56.853 56.400 0.162 0.000 0.840 301 E CB 0.071 29.891 29.700 0.200 0.000 0.795 301 E HN 0.537 nan 8.360 nan 0.000 0.470 302 Y N 0.041 120.524 120.300 0.305 0.000 2.479 302 Y HA 0.267 4.806 4.550 -0.018 0.000 0.283 302 Y C 0.200 176.346 175.900 0.411 0.000 1.109 302 Y CA 0.115 58.472 58.100 0.429 0.000 1.239 302 Y CB 0.492 39.225 38.460 0.456 0.000 1.108 302 Y HN -0.154 nan 8.280 nan 0.000 0.548 303 L N 0.785 122.264 121.223 0.427 0.000 2.586 303 L HA -0.183 4.146 4.340 -0.018 0.000 0.690 303 L C 1.010 178.062 176.870 0.303 0.000 1.053 303 L CA -0.018 54.974 54.840 0.254 0.000 1.383 303 L CB -1.533 40.634 42.059 0.181 0.000 2.057 303 L HN 0.146 nan 8.230 nan 0.000 0.951 304 V N -0.367 119.712 119.914 0.274 0.000 2.469 304 V HA -0.126 3.983 4.120 -0.018 0.000 0.251 304 V C 2.176 178.420 176.094 0.250 0.000 1.064 304 V CA 2.250 64.741 62.300 0.319 0.000 1.066 304 V CB -0.553 31.414 31.823 0.241 0.000 0.667 304 V HN 0.858 nan 8.190 nan 0.000 0.461 305 G N 1.193 110.010 108.800 0.028 0.000 2.422 305 G HA2 -0.303 3.646 3.960 -0.018 0.000 0.218 305 G HA3 -0.303 3.646 3.960 -0.018 0.000 0.218 305 G C 1.569 176.561 174.900 0.153 0.000 1.146 305 G CA 0.993 46.054 45.100 -0.064 0.000 0.769 305 G HN 0.823 nan 8.290 nan 0.000 0.547 306 Q N -0.998 118.794 119.800 -0.014 0.000 2.364 306 Q HA -0.036 4.293 4.340 -0.018 0.000 0.207 306 Q C 1.124 176.973 176.000 -0.251 0.000 0.970 306 Q CA 0.912 56.615 55.803 -0.168 0.000 0.888 306 Q CB -0.290 28.230 28.738 -0.364 0.000 0.951 306 Q HN 0.538 nan 8.270 nan 0.000 0.469 307 Y N 0.743 121.184 120.300 0.234 0.000 2.571 307 Y HA 0.480 5.019 4.550 -0.018 0.000 0.275 307 Y C 0.622 176.675 175.900 0.255 0.000 1.179 307 Y CA -0.729 57.505 58.100 0.224 0.000 1.242 307 Y CB 0.059 38.650 38.460 0.217 0.000 1.126 307 Y HN 0.166 nan 8.280 nan 0.000 0.524 308 A N 0.899 123.944 122.820 0.376 0.000 2.511 308 A HA 0.114 4.423 4.320 -0.018 0.000 0.242 308 A C 0.284 178.041 177.584 0.288 0.000 1.069 308 A CA -0.264 52.020 52.037 0.412 0.000 0.763 308 A CB -0.181 19.063 19.000 0.407 0.000 1.001 308 A HN 0.582 nan 8.150 nan 0.000 0.498 309 N N 0.729 119.606 118.700 0.295 0.000 2.483 309 N HA 0.297 5.026 4.740 -0.018 0.000 0.269 309 N C -0.418 175.171 175.510 0.133 0.000 1.209 309 N CA -0.348 52.819 53.050 0.196 0.000 0.969 309 N CB 0.718 39.314 38.487 0.181 0.000 1.173 309 N HN 0.544 nan 8.380 nan 0.000 0.475 310 S N 1.328 117.068 115.700 0.068 0.000 2.465 310 S HA 0.224 4.683 4.470 -0.018 0.000 0.279 310 S C -0.003 174.600 174.600 0.005 0.000 1.201 310 S CA -0.599 57.604 58.200 0.005 0.000 1.053 310 S CB 0.036 63.219 63.200 -0.028 0.000 0.953 310 S HN 0.269 nan 8.310 nan 0.000 0.488 311 L N 3.809 125.041 121.223 0.015 0.000 2.290 311 L HA 0.343 4.672 4.340 -0.018 0.000 0.284 311 L C 0.456 177.333 176.870 0.012 0.000 1.078 311 L CA -0.606 54.273 54.840 0.065 0.000 0.815 311 L CB 0.458 42.647 42.059 0.216 0.000 1.162 311 L HN 0.430 nan 8.230 nan 0.000 0.435 312 E N 3.155 123.369 120.200 0.023 0.000 2.259 312 E HA 0.213 4.552 4.350 -0.018 0.000 0.281 312 E C -0.390 176.267 176.600 0.095 0.000 1.027 312 E CA -0.845 55.567 56.400 0.020 0.000 0.838 312 E CB 1.963 31.662 29.700 -0.001 0.000 1.066 312 E HN 0.274 nan 8.360 nan 0.000 0.401 313 L N 1.792 123.093 121.223 0.131 0.000 2.485 313 L HA 0.222 4.551 4.340 -0.018 0.000 0.275 313 L C 1.401 178.312 176.870 0.070 0.000 1.207 313 L CA 1.764 56.701 54.840 0.160 0.000 0.855 313 L CB 0.298 42.465 42.059 0.180 0.000 1.114 313 L HN 0.795 nan 8.230 nan 0.000 0.485 314 G N 1.887 110.713 108.800 0.043 0.000 2.284 314 G HA2 -0.352 3.597 3.960 -0.018 0.000 0.261 314 G HA3 -0.352 3.597 3.960 -0.018 0.000 0.261 314 G C 0.836 175.742 174.900 0.010 0.000 0.997 314 G CA 0.591 45.703 45.100 0.018 0.000 0.621 314 G HN 0.798 nan 8.290 nan 0.000 0.534 315 C N -0.706 118.602 119.300 0.013 0.000 2.508 315 C HA 0.315 4.764 4.460 -0.018 0.000 0.303 315 C C 2.242 177.226 174.990 -0.010 0.000 1.496 315 C CA 1.198 60.213 59.018 -0.004 0.000 2.041 315 C CB -0.489 27.245 27.740 -0.011 0.000 2.011 315 C HN 0.493 nan 8.230 nan 0.000 0.655 316 D N 0.148 120.550 120.400 0.003 0.000 2.162 316 D HA 0.025 4.654 4.640 -0.018 0.000 0.205 316 D C 0.207 176.538 176.300 0.052 0.000 0.964 316 D CA 1.142 55.146 54.000 0.008 0.000 0.847 316 D CB 0.064 40.873 40.800 0.016 0.000 0.988 316 D HN 0.411 nan 8.370 nan 0.000 0.480 317 c N 1.857 120.481 118.600 0.041 0.000 2.346 317 c HA 0.527 5.086 4.570 -0.018 0.000 0.326 317 c C -0.215 173.809 174.090 -0.109 0.000 1.224 317 c CA -1.149 55.146 56.329 -0.057 0.000 1.408 317 c CB 0.667 43.130 42.510 -0.079 0.000 2.089 317 c HN 0.165 nan 8.230 nan 0.000 0.456 318 L N 4.077 125.210 121.223 -0.150 0.000 2.322 318 L HA 0.954 5.283 4.340 -0.018 0.000 0.279 318 L C 0.528 177.312 176.870 -0.143 0.000 1.036 318 L CA 1.775 56.555 54.840 -0.100 0.000 0.807 318 L CB 0.950 42.985 42.059 -0.039 0.000 1.226 318 L HN 1.117 nan 8.230 nan 0.000 0.433 319 G N 3.236 111.996 108.800 -0.067 0.000 2.428 319 G HA2 -0.152 3.797 3.960 -0.018 0.000 0.202 319 G HA3 -0.152 3.797 3.960 -0.018 0.000 0.202 319 G C -1.083 173.802 174.900 -0.024 0.000 1.247 319 G CA -0.205 44.878 45.100 -0.029 0.000 1.020 319 G HN 0.777 nan 8.290 nan 0.000 0.529 320 D N 1.350 121.761 120.400 0.019 0.000 2.393 320 D HA 0.413 5.042 4.640 -0.018 0.000 0.232 320 D C 0.306 176.625 176.300 0.033 0.000 1.192 320 D CA -0.187 53.827 54.000 0.023 0.000 0.882 320 D CB 0.042 40.862 40.800 0.034 0.000 1.038 320 D HN 0.369 nan 8.370 nan 0.000 0.499 321 I N 2.632 123.171 120.570 -0.052 0.000 2.392 321 I HA 0.223 4.383 4.170 -0.018 0.000 0.295 321 I C 0.689 176.707 176.117 -0.165 0.000 0.985 321 I CA -0.525 60.677 61.300 -0.164 0.000 1.221 321 I CB 1.518 39.247 38.000 -0.451 0.000 1.366 321 I HN 0.132 nan 8.210 nan 0.000 0.467 322 T N 6.215 120.721 114.554 -0.080 0.000 2.786 322 T HA 0.526 4.865 4.350 -0.018 0.000 0.283 322 T C -0.616 174.019 174.700 -0.108 0.000 0.992 322 T CA -0.292 61.821 62.100 0.021 0.000 0.954 322 T CB 0.568 69.614 68.868 0.296 0.000 0.934 322 T HN 0.160 nan 8.240 nan 0.000 0.440 323 Y N 2.009 122.359 120.300 0.083 0.000 2.419 323 Y HA 0.657 5.197 4.550 -0.018 0.000 0.328 323 Y C 0.205 176.119 175.900 0.023 0.000 1.162 323 Y CA -1.249 56.877 58.100 0.043 0.000 1.174 323 Y CB 1.068 39.543 38.460 0.026 0.000 1.228 323 Y HN 0.365 nan 8.280 nan 0.000 0.473 324 L N 1.358 122.690 121.223 0.181 0.000 2.362 324 L HA 0.529 4.858 4.340 -0.018 0.000 0.271 324 L C -0.589 176.282 176.870 0.001 0.000 1.002 324 L CA -0.668 54.210 54.840 0.063 0.000 0.818 324 L CB 2.037 44.104 42.059 0.013 0.000 1.298 324 L HN 0.537 nan 8.230 nan 0.000 0.420 325 S N 3.147 118.823 115.700 -0.041 0.000 2.406 325 S HA 0.324 4.783 4.470 -0.018 0.000 0.224 325 S C -2.335 172.182 174.600 -0.139 0.000 1.426 325 S CA -1.014 57.128 58.200 -0.097 0.000 1.179 325 S CB 0.707 63.871 63.200 -0.060 0.000 1.042 325 S HN 0.388 nan 8.310 nan 0.000 0.479 326 P HA 0.211 nan 4.420 nan 0.000 0.269 326 P C -0.706 176.498 177.300 -0.160 0.000 1.215 326 P CA -0.264 62.675 63.100 -0.269 0.000 0.780 326 P CB 0.744 32.032 31.700 -0.687 0.000 0.898 327 V N 3.579 123.467 119.914 -0.043 0.000 2.513 327 V HA 0.496 4.605 4.120 -0.018 0.000 0.299 327 V C 0.665 176.789 176.094 0.050 0.000 1.035 327 V CA -0.600 61.699 62.300 -0.002 0.000 0.889 327 V CB 1.303 33.132 31.823 0.011 0.000 0.988 327 V HN 0.520 nan 8.190 nan 0.000 0.440 328 I N 0.645 121.238 120.570 0.038 0.000 3.239 328 I HA 0.800 4.959 4.170 -0.018 0.000 0.314 328 I C -0.218 175.901 176.117 0.003 0.000 1.126 328 I CA -0.648 60.676 61.300 0.040 0.000 0.973 328 I CB 2.339 40.374 38.000 0.058 0.000 1.252 328 I HN 0.524 nan 8.210 nan 0.000 0.463 329 S N 1.136 116.820 115.700 -0.026 0.000 2.585 329 S HA 0.375 4.834 4.470 -0.018 0.000 0.277 329 S C -0.567 174.014 174.600 -0.032 0.000 1.241 329 S CA -0.529 57.651 58.200 -0.033 0.000 1.041 329 S CB 0.718 63.880 63.200 -0.062 0.000 0.987 329 S HN 0.811 nan 8.310 nan 0.000 0.512 330 D N 2.452 122.846 120.400 -0.009 0.000 2.506 330 D HA 0.427 5.056 4.640 -0.018 0.000 0.272 330 D C 1.160 177.400 176.300 -0.099 0.000 1.214 330 D CA -0.201 53.786 54.000 -0.021 0.000 1.067 330 D CB 0.113 40.946 40.800 0.054 0.000 1.117 330 D HN 0.473 nan 8.370 nan 0.000 0.578 331 A N -1.118 121.552 122.820 -0.250 0.000 2.178 331 A HA -0.020 4.289 4.320 -0.018 0.000 0.218 331 A C 1.394 178.654 177.584 -0.540 0.000 1.157 331 A CA 0.749 52.519 52.037 -0.445 0.000 0.689 331 A CB -0.914 17.701 19.000 -0.641 0.000 0.787 331 A HN 0.456 nan 8.150 nan 0.000 0.465 332 F N -1.664 118.300 119.950 0.022 0.000 2.678 332 F HA 0.406 4.922 4.527 -0.018 0.000 0.305 332 F C 1.741 177.540 175.800 -0.002 0.000 1.090 332 F CA 0.210 58.218 58.000 0.013 0.000 1.272 332 F CB 0.195 39.202 39.000 0.012 0.000 1.060 332 F HN 0.291 nan 8.300 nan 0.000 0.576 333 G N 0.184 109.039 108.800 0.093 0.000 2.159 333 G HA2 -0.252 3.697 3.960 -0.018 0.000 0.227 333 G HA3 -0.252 3.697 3.960 -0.018 0.000 0.227 333 G C 0.013 174.933 174.900 0.034 0.000 0.986 333 G CA -0.465 44.658 45.100 0.039 0.000 0.651 333 G HN 0.258 nan 8.290 nan 0.000 0.523 334 N N 2.033 120.780 118.700 0.077 0.000 2.518 334 N HA 0.430 5.159 4.740 -0.018 0.000 0.283 334 N C -2.490 173.036 175.510 0.027 0.000 1.119 334 N CA -1.053 52.029 53.050 0.053 0.000 0.983 334 N CB 1.598 40.137 38.487 0.087 0.000 1.139 334 N HN 0.206 nan 8.380 nan 0.000 0.465 335 P HA 0.199 nan 4.420 nan 0.000 0.275 335 P C -0.639 176.668 177.300 0.012 0.000 1.227 335 P CA -0.112 62.988 63.100 0.001 0.000 0.781 335 P CB 1.205 32.899 31.700 -0.010 0.000 0.906 336 R N 1.784 122.290 120.500 0.010 0.000 2.532 336 R HA 0.261 4.590 4.340 -0.018 0.000 0.297 336 R C -0.481 175.818 176.300 -0.002 0.000 0.984 336 R CA -0.616 55.491 56.100 0.012 0.000 0.884 336 R CB 1.540 31.852 30.300 0.020 0.000 1.182 336 R HN 0.484 nan 8.270 nan 0.000 0.442 337 E N 5.162 125.357 120.200 -0.009 0.000 2.249 337 E HA 0.185 4.524 4.350 -0.018 0.000 0.280 337 E C -0.710 175.865 176.600 -0.041 0.000 1.016 337 E CA -0.502 55.880 56.400 -0.031 0.000 0.830 337 E CB 0.952 30.635 29.700 -0.029 0.000 1.081 337 E HN 0.551 nan 8.360 nan 0.000 0.395 338 I N 4.913 125.434 120.570 -0.082 0.000 2.313 338 I HA 0.193 4.352 4.170 -0.018 0.000 0.286 338 I C 0.099 176.155 176.117 -0.103 0.000 1.091 338 I CA -0.689 60.559 61.300 -0.087 0.000 1.216 338 I CB 0.448 38.361 38.000 -0.145 0.000 1.434 338 I HN 0.354 nan 8.210 nan 0.000 0.487 339 R N 6.203 126.658 120.500 -0.076 0.000 2.484 339 R HA 0.019 4.348 4.340 -0.018 0.000 0.293 339 R C 0.449 176.668 176.300 -0.135 0.000 1.023 339 R CA 0.473 56.516 56.100 -0.096 0.000 1.037 339 R CB -0.190 30.059 30.300 -0.085 0.000 0.951 339 R HN 0.560 nan 8.270 nan 0.000 0.418 340 N N 2.332 120.934 118.700 -0.163 0.000 2.727 340 N HA -0.177 4.552 4.740 -0.018 0.000 0.249 340 N C 0.503 175.984 175.510 -0.049 0.000 1.048 340 N CA 1.237 54.148 53.050 -0.233 0.000 0.714 340 N CB -1.259 36.794 38.487 -0.723 0.000 0.959 340 N HN 0.847 nan 8.380 nan 0.000 0.544 341 G N -0.948 107.824 108.800 -0.046 0.000 2.623 341 G HA2 0.224 4.173 3.960 -0.018 0.000 0.214 341 G HA3 0.224 4.173 3.960 -0.018 0.000 0.214 341 G C 0.554 175.491 174.900 0.061 0.000 1.138 341 G CA 0.242 45.327 45.100 -0.026 0.000 0.794 341 G HN 0.453 nan 8.290 nan 0.000 0.535 342 I N 0.348 120.967 120.570 0.082 0.000 2.466 342 I HA 0.311 4.470 4.170 -0.018 0.000 0.289 342 I C -0.764 175.467 176.117 0.189 0.000 1.026 342 I CA -0.905 60.472 61.300 0.127 0.000 1.078 342 I CB 2.416 40.430 38.000 0.023 0.000 1.249 342 I HN -0.191 nan 8.210 nan 0.000 0.429 343 c N 6.934 125.622 118.600 0.148 0.000 2.341 343 c HA 0.695 5.254 4.570 -0.018 0.000 0.338 343 c C 0.048 174.138 174.090 0.000 0.000 1.257 343 c CA -0.476 55.871 56.329 0.030 0.000 1.883 343 c CB 0.733 43.282 42.510 0.065 0.000 2.334 343 c HN 0.667 nan 8.230 nan 0.000 0.524 344 M N 5.516 125.077 119.600 -0.065 0.000 2.326 344 M HA 0.504 4.973 4.480 -0.018 0.000 0.292 344 M C -0.713 175.559 176.300 -0.047 0.000 1.081 344 M CA -0.165 55.033 55.300 -0.170 0.000 0.919 344 M CB 1.959 34.368 32.600 -0.318 0.000 1.634 344 M HN 0.963 nan 8.290 nan 0.000 0.451 345 H N 0.898 119.783 119.070 -0.308 0.000 2.987 345 H HA 0.463 5.008 4.556 -0.018 0.000 0.316 345 H C -2.128 173.105 175.328 -0.159 0.000 1.380 345 H CA -1.016 55.002 56.048 -0.050 0.000 1.160 345 H CB 1.108 30.876 29.762 0.010 0.000 1.865 345 H HN 0.752 nan 8.280 nan 0.000 0.521 346 E N 1.099 121.312 120.200 0.022 0.000 2.221 346 E HA 0.550 4.889 4.350 -0.018 0.000 0.268 346 E C -0.906 175.726 176.600 0.054 0.000 0.933 346 E CA -0.925 55.394 56.400 -0.135 0.000 0.809 346 E CB 2.857 32.632 29.700 0.124 0.000 1.190 346 E HN 0.732 nan 8.360 nan 0.000 0.406 347 E N 1.595 121.809 120.200 0.023 0.000 2.390 347 E HA 0.248 4.587 4.350 -0.018 0.000 0.277 347 E C -1.456 175.269 176.600 0.208 0.000 0.939 347 E CA -1.014 55.475 56.400 0.148 0.000 0.769 347 E CB 1.492 31.293 29.700 0.168 0.000 1.251 347 E HN 0.524 nan 8.360 nan 0.000 0.450 348 D N 1.231 121.761 120.400 0.216 0.000 2.443 348 D HA -0.046 4.583 4.640 -0.018 0.000 0.239 348 D C -0.944 175.557 176.300 0.334 0.000 1.136 348 D CA 0.112 54.246 54.000 0.225 0.000 0.879 348 D CB 0.548 41.428 40.800 0.133 0.000 1.195 348 D HN 0.507 nan 8.370 nan 0.000 0.443 349 W N 5.871 127.212 121.300 0.069 0.000 1.340 349 W HA 0.376 5.025 4.660 -0.019 0.000 0.301 349 W C 0.255 176.809 176.519 0.059 0.000 0.834 349 W CA 0.076 57.460 57.345 0.066 0.000 2.473 349 W CB 0.089 29.630 29.460 0.135 0.000 1.837 349 W HN 0.843 nan 8.180 nan 0.000 0.528 350 G N 1.959 110.688 108.800 -0.119 0.000 2.575 350 G HA2 -0.331 3.618 3.960 -0.018 0.000 0.267 350 G HA3 -0.331 3.618 3.960 -0.018 0.000 0.267 350 G C -0.353 174.530 174.900 -0.029 0.000 1.264 350 G CA -0.105 44.909 45.100 -0.142 0.000 0.935 350 G HN 0.104 nan 8.290 nan 0.000 0.568 351 I N 1.275 121.820 120.570 -0.042 0.000 2.496 351 I HA 0.220 4.379 4.170 -0.018 0.000 0.285 351 I C 1.569 177.715 176.117 0.050 0.000 1.080 351 I CA -0.071 61.231 61.300 0.003 0.000 1.404 351 I CB 0.894 38.888 38.000 -0.010 0.000 1.403 351 I HN 0.624 nan 8.210 nan 0.000 0.539 352 L N 6.522 127.792 121.223 0.077 0.000 2.200 352 L HA 0.463 4.793 4.340 -0.018 0.000 0.200 352 L C 0.612 177.544 176.870 0.103 0.000 1.072 352 L CA 1.032 55.939 54.840 0.111 0.000 0.787 352 L CB 0.125 42.259 42.059 0.124 0.000 0.957 352 L HN 0.706 nan 8.230 nan 0.000 0.459 353 A N -0.434 122.455 122.820 0.115 0.000 2.566 353 A HA 0.655 4.964 4.320 -0.018 0.000 0.297 353 A C -1.117 176.587 177.584 0.200 0.000 1.059 353 A CA -0.597 51.538 52.037 0.162 0.000 0.691 353 A CB 1.131 20.274 19.000 0.237 0.000 1.282 353 A HN 0.058 nan 8.150 nan 0.000 0.401 354 K N 0.985 121.504 120.400 0.198 0.000 2.557 354 K HA 0.592 4.901 4.320 -0.018 0.000 0.261 354 K C -2.188 174.558 176.600 0.243 0.000 0.932 354 K CA -0.528 55.886 56.287 0.212 0.000 0.829 354 K CB 1.808 34.369 32.500 0.101 0.000 1.358 354 K HN 1.101 nan 8.250 nan 0.000 0.430 355 H N 0.247 119.391 119.070 0.123 0.000 3.137 355 H HA 0.346 4.891 4.556 -0.019 0.000 0.336 355 H C -1.977 173.378 175.328 0.044 0.000 1.055 355 H CA -0.366 55.709 56.048 0.045 0.000 1.349 355 H CB 1.803 31.564 29.762 -0.002 0.000 1.939 355 H HN 0.423 nan 8.280 nan 0.000 0.487 356 S N 4.143 119.492 115.700 -0.585 0.000 2.520 356 S HA 0.181 4.640 4.470 -0.018 0.000 0.324 356 S C -0.759 173.394 174.600 -0.745 0.000 1.069 356 S CA -0.664 57.261 58.200 -0.457 0.000 1.121 356 S CB 0.529 63.593 63.200 -0.226 0.000 0.971 356 S HN 0.647 nan 8.310 nan 0.000 0.463 357 D N 2.147 122.193 120.400 -0.590 0.000 2.280 357 D HA 0.297 4.927 4.640 -0.018 0.000 0.243 357 D C 0.958 177.148 176.300 -0.183 0.000 1.129 357 D CA -0.575 53.211 54.000 -0.357 0.000 0.848 357 D CB 0.869 41.642 40.800 -0.046 0.000 1.107 357 D HN 0.260 nan 8.370 nan 0.000 0.471 358 L N 5.556 126.636 121.223 -0.237 0.000 2.027 358 L HA -0.014 4.315 4.340 -0.018 0.000 0.206 358 L C 1.420 178.291 176.870 0.001 0.000 1.074 358 L CA 1.558 56.296 54.840 -0.170 0.000 0.745 358 L CB -0.438 41.451 42.059 -0.283 0.000 0.898 358 L HN 0.606 nan 8.230 nan 0.000 0.433 359 W N -0.060 121.246 121.300 0.010 0.000 2.355 359 W HA -0.132 4.524 4.660 -0.006 0.000 0.309 359 W C 3.010 179.534 176.519 0.008 0.000 1.206 359 W CA 1.630 58.981 57.345 0.011 0.000 1.284 359 W CB -1.817 27.654 29.460 0.019 0.000 1.145 359 W HN 0.530 nan 8.180 nan 0.000 0.502 360 S N -0.787 115.055 115.700 0.236 0.000 2.470 360 S HA 0.230 4.690 4.470 -0.018 0.000 0.225 360 S C 1.822 176.471 174.600 0.081 0.000 1.006 360 S CA 1.072 59.355 58.200 0.139 0.000 0.934 360 S CB -0.230 63.042 63.200 0.120 0.000 0.778 360 S HN 0.464 nan 8.310 nan 0.000 0.517 361 G N 1.057 109.890 108.800 0.054 0.000 2.184 361 G HA2 -0.242 3.707 3.960 -0.018 0.000 0.264 361 G HA3 -0.242 3.707 3.960 -0.018 0.000 0.264 361 G C 0.024 174.929 174.900 0.009 0.000 0.975 361 G CA 0.377 45.490 45.100 0.022 0.000 0.642 361 G HN 0.610 nan 8.290 nan 0.000 0.536 362 I N 1.359 121.938 120.570 0.015 0.000 2.342 362 I HA 0.276 4.435 4.170 -0.018 0.000 0.291 362 I C -0.409 175.709 176.117 0.002 0.000 1.010 362 I CA -0.760 60.556 61.300 0.026 0.000 1.308 362 I CB 0.989 39.023 38.000 0.056 0.000 1.400 362 I HN -0.028 nan 8.210 nan 0.000 0.488 363 N N 6.444 125.156 118.700 0.021 0.000 2.417 363 N HA 0.294 5.023 4.740 -0.018 0.000 0.274 363 N C -1.313 174.261 175.510 0.107 0.000 0.987 363 N CA -0.432 52.626 53.050 0.014 0.000 0.912 363 N CB 1.901 40.378 38.487 -0.017 0.000 1.177 363 N HN 0.454 nan 8.380 nan 0.000 0.490 364 Y N 1.120 121.405 120.300 -0.026 0.000 2.391 364 Y HA 0.485 5.026 4.550 -0.016 0.000 0.341 364 Y C -0.953 174.954 175.900 0.011 0.000 0.965 364 Y CA -0.308 57.796 58.100 0.006 0.000 1.067 364 Y CB 1.590 40.070 38.460 0.033 0.000 1.199 364 Y HN 0.332 nan 8.280 nan 0.000 0.450 365 T N 6.871 121.257 114.554 -0.280 0.000 2.971 365 T HA 0.591 4.930 4.350 -0.018 0.000 0.304 365 T C -1.291 173.195 174.700 -0.356 0.000 1.038 365 T CA -1.008 60.976 62.100 -0.194 0.000 1.007 365 T CB 1.255 70.069 68.868 -0.089 0.000 1.055 365 T HN 0.421 nan 8.240 nan 0.000 0.451 366 R N 1.756 122.128 120.500 -0.213 0.000 2.673 366 R HA 0.555 4.884 4.340 -0.018 0.000 0.281 366 R C -0.529 175.753 176.300 -0.031 0.000 0.991 366 R CA -0.845 55.161 56.100 -0.157 0.000 0.896 366 R CB 2.412 32.633 30.300 -0.132 0.000 1.201 366 R HN 0.561 nan 8.270 nan 0.000 0.457 367 R N 1.005 121.501 120.500 -0.005 0.000 2.536 367 R HA 0.363 4.692 4.340 -0.018 0.000 0.279 367 R C 0.106 176.469 176.300 0.105 0.000 1.001 367 R CA -0.879 55.248 56.100 0.044 0.000 1.027 367 R CB 1.056 31.379 30.300 0.038 0.000 1.096 367 R HN 0.380 nan 8.270 nan 0.000 0.502 368 N N 0.762 119.560 118.700 0.163 0.000 2.477 368 N HA 0.405 5.134 4.740 -0.018 0.000 0.284 368 N C -0.988 174.724 175.510 0.338 0.000 1.182 368 N CA -0.353 52.860 53.050 0.271 0.000 0.949 368 N CB 1.162 39.861 38.487 0.353 0.000 1.204 368 N HN 0.413 nan 8.380 nan 0.000 0.526 369 R N -0.177 120.570 120.500 0.412 0.000 2.710 369 R HA 0.502 4.831 4.340 -0.018 0.000 0.270 369 R C -0.943 175.602 176.300 0.409 0.000 1.021 369 R CA -0.847 55.508 56.100 0.425 0.000 0.889 369 R CB 2.357 32.938 30.300 0.467 0.000 1.243 369 R HN 0.722 nan 8.270 nan 0.000 0.464 370 R N 0.869 121.420 120.500 0.085 0.000 2.698 370 R HA 0.539 4.868 4.340 -0.018 0.000 0.275 370 R C -1.257 174.581 176.300 -0.771 0.000 1.001 370 R CA -1.010 54.831 56.100 -0.431 0.000 0.896 370 R CB 1.701 31.340 30.300 -1.100 0.000 1.218 370 R HN 0.407 nan 8.270 nan 0.000 0.462 371 M N 2.698 121.521 119.600 -1.294 0.000 2.188 371 M HA 0.343 4.812 4.480 -0.018 0.000 0.357 371 M C -1.515 174.295 176.300 -0.817 0.000 1.204 371 M CA -0.513 53.960 55.300 -1.378 0.000 1.095 371 M CB 1.714 33.261 32.600 -1.756 0.000 1.604 371 M HN 0.520 nan 8.290 nan 0.000 0.464 372 V N 7.041 126.518 119.914 -0.729 0.000 2.495 372 V HA 0.570 4.679 4.120 -0.018 0.000 0.298 372 V C -0.510 175.355 176.094 -0.382 0.000 1.031 372 V CA -0.581 61.443 62.300 -0.461 0.000 0.871 372 V CB 1.596 33.113 31.823 -0.509 0.000 0.988 372 V HN 0.793 nan 8.190 nan 0.000 0.432 373 I N 4.629 125.064 120.570 -0.226 0.000 2.439 373 I HA 0.652 4.811 4.170 -0.018 0.000 0.285 373 I C -0.151 175.964 176.117 -0.004 0.000 1.021 373 I CA -0.018 61.211 61.300 -0.118 0.000 1.091 373 I CB 1.992 39.923 38.000 -0.115 0.000 1.242 373 I HN 0.789 nan 8.210 nan 0.000 0.439 374 S N 5.592 121.298 115.700 0.010 0.000 2.638 374 S HA 0.869 5.328 4.470 -0.018 0.000 0.274 374 S C -0.968 173.725 174.600 0.155 0.000 1.157 374 S CA -0.730 57.430 58.200 -0.066 0.000 0.826 374 S CB 2.595 65.436 63.200 -0.597 0.000 1.139 374 S HN 0.551 nan 8.310 nan 0.000 0.474 375 F N -1.297 118.595 119.950 -0.096 0.000 2.686 375 F HA 0.899 5.415 4.527 -0.018 0.000 0.311 375 F C -2.151 173.712 175.800 0.104 0.000 1.128 375 F CA -1.644 56.392 58.000 0.061 0.000 0.946 375 F CB 0.889 39.968 39.000 0.131 0.000 1.336 375 F HN 0.636 nan 8.300 nan 0.000 0.457 376 F N 0.753 120.734 119.950 0.053 0.000 2.565 376 F HA 0.689 5.205 4.527 -0.018 0.000 0.313 376 F C -0.266 175.634 175.800 0.167 0.000 1.091 376 F CA -0.397 57.605 58.000 0.004 0.000 0.915 376 F CB 2.362 41.392 39.000 0.050 0.000 1.208 376 F HN 0.876 nan 8.300 nan 0.000 0.453 377 T N 2.106 116.858 114.554 0.329 0.000 2.907 377 T HA 0.679 5.018 4.350 -0.018 0.000 0.292 377 T C -1.232 173.672 174.700 0.339 0.000 1.043 377 T CA -0.301 62.034 62.100 0.392 0.000 1.003 377 T CB 1.389 70.501 68.868 0.408 0.000 1.084 377 T HN 0.578 nan 8.240 nan 0.000 0.483 378 T N 3.864 118.585 114.554 0.277 0.000 2.881 378 T HA 0.591 4.930 4.350 -0.018 0.000 0.291 378 T C -0.751 173.959 174.700 0.018 0.000 0.990 378 T CA -0.409 61.767 62.100 0.127 0.000 0.976 378 T CB 0.396 69.331 68.868 0.113 0.000 0.970 378 T HN 0.499 nan 8.240 nan 0.000 0.438 379 I N 3.294 123.803 120.570 -0.102 0.000 2.493 379 I HA 0.476 4.635 4.170 -0.018 0.000 0.279 379 I C 1.076 177.059 176.117 -0.224 0.000 1.045 379 I CA -0.337 60.803 61.300 -0.267 0.000 1.106 379 I CB 1.051 38.878 38.000 -0.288 0.000 1.216 379 I HN 0.920 nan 8.210 nan 0.000 0.459 380 G N 6.543 115.249 108.800 -0.157 0.000 2.602 380 G HA2 -0.315 3.634 3.960 -0.018 0.000 0.310 380 G HA3 -0.315 3.634 3.960 -0.018 0.000 0.310 380 G C 0.164 174.992 174.900 -0.120 0.000 1.183 380 G CA 0.475 45.572 45.100 -0.005 0.000 0.979 380 G HN 0.729 nan 8.290 nan 0.000 0.545 384 Y N 0.429 120.719 120.300 -0.017 0.000 2.446 384 Y HA 0.743 5.282 4.550 -0.018 0.000 0.345 384 Y C 0.809 176.081 175.900 -1.046 0.000 0.984 384 Y CA -1.093 56.795 58.100 -0.352 0.000 1.058 384 Y CB 2.449 40.848 38.460 -0.102 0.000 1.220 384 Y HN 0.412 nan 8.280 nan 0.000 0.455 385 G N 2.203 110.284 108.800 -1.199 0.000 2.415 385 G HA2 0.608 4.557 3.960 -0.018 0.000 0.327 385 G HA3 0.608 4.557 3.960 -0.018 0.000 0.327 385 G C -1.621 172.941 174.900 -0.564 0.000 1.182 385 G CA -0.528 43.797 45.100 -1.293 0.000 0.924 385 G HN 0.463 nan 8.290 nan 0.000 0.470 386 F N 1.491 120.903 119.950 -0.896 0.000 2.402 386 F HA 0.445 4.961 4.527 -0.018 0.000 0.355 386 F C -0.738 174.642 175.800 -0.700 0.000 1.123 386 F CA -0.764 56.873 58.000 -0.605 0.000 1.021 386 F CB 1.927 40.681 39.000 -0.410 0.000 1.160 386 F HN 0.302 nan 8.300 nan 0.000 0.451 387 Y N 1.521 121.367 120.300 -0.756 0.000 2.376 387 Y HA 0.383 4.922 4.550 -0.018 0.000 0.340 387 Y C -1.110 174.061 175.900 -1.215 0.000 0.965 387 Y CA -1.610 56.001 58.100 -0.814 0.000 1.078 387 Y CB 1.324 39.258 38.460 -0.877 0.000 1.193 387 Y HN 0.494 nan 8.280 nan 0.000 0.452 388 W N 3.341 124.290 121.300 -0.585 0.000 2.529 388 W HA 0.616 5.265 4.660 -0.019 0.000 0.321 388 W C -1.412 174.668 176.519 -0.732 0.000 1.047 388 W CA -0.733 56.294 57.345 -0.530 0.000 1.216 388 W CB 1.154 30.479 29.460 -0.226 0.000 1.357 388 W HN 0.329 nan 8.180 nan 0.000 0.489 389 Y N 2.902 123.103 120.300 -0.165 0.000 2.446 389 Y HA 0.663 5.202 4.550 -0.018 0.000 0.345 389 Y C -0.266 175.330 175.900 -0.507 0.000 0.984 389 Y CA -1.621 56.195 58.100 -0.474 0.000 1.058 389 Y CB 1.203 39.269 38.460 -0.656 0.000 1.220 389 Y HN 0.062 nan 8.280 nan 0.000 0.455 390 L N 3.865 124.745 121.223 -0.573 0.000 2.356 390 L HA 0.528 4.857 4.340 -0.018 0.000 0.277 390 L C -1.244 175.421 176.870 -0.343 0.000 0.996 390 L CA -0.854 53.593 54.840 -0.655 0.000 0.822 390 L CB 1.394 42.760 42.059 -1.155 0.000 1.256 390 L HN 0.603 nan 8.230 nan 0.000 0.413 391 Y N 1.832 122.276 120.300 0.239 0.000 2.496 391 Y HA 0.323 4.862 4.550 -0.018 0.000 0.331 391 Y C 1.171 177.520 175.900 0.748 0.000 1.140 391 Y CA -0.742 57.616 58.100 0.430 0.000 1.166 391 Y CB 1.517 40.122 38.460 0.241 0.000 1.249 391 Y HN 0.441 nan 8.280 nan 0.000 0.479 392 L N 0.643 122.289 121.223 0.705 0.000 2.079 392 L HA -0.213 4.116 4.340 -0.018 0.000 0.210 392 L C 1.589 178.706 176.870 0.412 0.000 1.081 392 L CA 1.740 56.855 54.840 0.459 0.000 0.752 392 L CB -0.340 41.874 42.059 0.259 0.000 0.896 392 L HN 0.764 nan 8.230 nan 0.000 0.433 393 D N -0.550 120.073 120.400 0.373 0.000 2.352 393 D HA 0.006 4.635 4.640 -0.018 0.000 0.232 393 D C 1.412 177.816 176.300 0.174 0.000 1.055 393 D CA 0.855 54.967 54.000 0.187 0.000 0.891 393 D CB 0.225 41.103 40.800 0.131 0.000 0.897 393 D HN 0.337 nan 8.370 nan 0.000 0.529 394 G N -0.746 108.330 108.800 0.460 0.000 2.194 394 G HA2 -0.242 3.707 3.960 -0.018 0.000 0.236 394 G HA3 -0.242 3.707 3.960 -0.018 0.000 0.236 394 G C 0.409 175.795 174.900 0.809 0.000 0.987 394 G CA 0.166 45.573 45.100 0.512 0.000 0.635 394 G HN 0.456 nan 8.290 nan 0.000 0.520 395 T N 1.319 116.257 114.554 0.640 0.000 2.919 395 T HA 0.563 4.902 4.350 -0.018 0.000 0.302 395 T C 0.491 175.549 174.700 0.597 0.000 1.031 395 T CA 0.479 62.889 62.100 0.515 0.000 1.127 395 T CB 1.291 70.270 68.868 0.186 0.000 0.952 395 T HN 0.342 nan 8.240 nan 0.000 0.540 396 I N 2.403 123.243 120.570 0.449 0.000 2.465 396 I HA 0.495 4.654 4.170 -0.018 0.000 0.291 396 I C 0.046 176.303 176.117 0.233 0.000 1.014 396 I CA -0.643 60.818 61.300 0.267 0.000 1.093 396 I CB 1.983 40.110 38.000 0.212 0.000 1.267 396 I HN 0.615 nan 8.210 nan 0.000 0.431 397 E N 5.564 125.862 120.200 0.164 0.000 2.383 397 E HA 0.504 4.843 4.350 -0.018 0.000 0.275 397 E C -2.040 174.378 176.600 -0.304 0.000 0.918 397 E CA -0.630 55.758 56.400 -0.020 0.000 0.764 397 E CB 2.774 32.600 29.700 0.212 0.000 1.252 397 E HN 0.411 nan 8.360 nan 0.000 0.449 398 F N 2.203 121.579 119.950 -0.957 0.000 2.532 398 F HA 0.536 5.052 4.527 -0.019 0.000 0.321 398 F C -1.202 174.059 175.800 -0.898 0.000 1.089 398 F CA -0.501 56.732 58.000 -1.278 0.000 0.926 398 F CB 1.844 39.721 39.000 -1.871 0.000 1.168 398 F HN 0.523 nan 8.300 nan 0.000 0.459 399 E N 4.078 123.124 120.200 -1.923 0.000 2.290 399 E HA 0.679 5.018 4.350 -0.018 0.000 0.274 399 E C -1.979 173.765 176.600 -1.427 0.000 0.889 399 E CA -0.945 54.727 56.400 -1.214 0.000 0.760 399 E CB 1.786 31.176 29.700 -0.517 0.000 1.206 399 E HN 0.878 nan 8.360 nan 0.000 0.419 400 A N 4.430 126.662 122.820 -0.980 0.000 2.317 400 A HA 0.572 4.881 4.320 -0.018 0.000 0.327 400 A C -0.811 176.506 177.584 -0.445 0.000 1.178 400 A CA -0.704 50.840 52.037 -0.821 0.000 0.817 400 A CB 0.868 19.238 19.000 -1.050 0.000 1.189 400 A HN 0.541 nan 8.150 nan 0.000 0.489 401 K N 1.683 121.892 120.400 -0.319 0.000 2.394 401 K HA 0.567 4.876 4.320 -0.018 0.000 0.260 401 K C -0.630 175.924 176.600 -0.076 0.000 0.967 401 K CA -0.292 55.901 56.287 -0.157 0.000 0.855 401 K CB 2.098 34.564 32.500 -0.057 0.000 1.101 401 K HN 0.739 nan 8.250 nan 0.000 0.433 402 A N 2.528 125.324 122.820 -0.040 0.000 2.276 402 A HA 0.571 4.880 4.320 -0.018 0.000 0.316 402 A C -0.018 177.523 177.584 -0.072 0.000 1.229 402 A CA -0.204 51.822 52.037 -0.018 0.000 0.851 402 A CB 1.292 20.221 19.000 -0.119 0.000 1.165 402 A HN 0.699 nan 8.150 nan 0.000 0.513 403 T N 0.814 115.304 114.554 -0.107 0.000 2.606 403 T HA 0.777 5.116 4.350 -0.018 0.000 0.280 403 T C 0.435 175.033 174.700 -0.170 0.000 1.074 403 T CA 1.086 63.136 62.100 -0.083 0.000 1.140 403 T CB 0.498 69.370 68.868 0.006 0.000 1.631 403 T HN 2.668 nan 8.240 nan 0.000 0.464 404 G N -0.107 108.593 108.800 -0.166 0.000 2.482 404 G HA2 0.002 3.951 3.960 -0.018 0.000 0.214 404 G HA3 0.002 3.951 3.960 -0.018 0.000 0.214 404 G C -1.133 173.626 174.900 -0.235 0.000 1.271 404 G CA -0.213 44.750 45.100 -0.228 0.000 0.944 404 G HN 1.370 nan 8.290 nan 0.000 0.568 405 V N 1.265 121.003 119.914 -0.294 0.000 2.495 405 V HA 0.610 4.719 4.120 -0.018 0.000 0.298 405 V C 1.117 177.105 176.094 -0.176 0.000 1.031 405 V CA -0.116 62.038 62.300 -0.243 0.000 0.871 405 V CB 1.149 32.750 31.823 -0.370 0.000 0.988 405 V HN 1.694 nan 8.190 nan 0.000 0.432 406 V N 2.320 122.284 119.914 0.083 0.000 2.843 406 V HA 0.342 4.451 4.120 -0.018 0.000 0.305 406 V C -0.120 176.041 176.094 0.112 0.000 1.065 406 V CA -0.245 62.145 62.300 0.149 0.000 1.116 406 V CB 0.212 32.191 31.823 0.260 0.000 0.968 406 V HN 0.613 nan 8.190 nan 0.000 0.487 407 F N 4.624 124.565 119.950 -0.014 0.000 2.495 407 F HA 0.517 5.033 4.527 -0.018 0.000 0.365 407 F C 0.975 176.870 175.800 0.158 0.000 1.090 407 F CA 0.552 58.576 58.000 0.040 0.000 1.235 407 F CB 0.847 39.830 39.000 -0.029 0.000 1.119 407 F HN 1.016 nan 8.300 nan 0.000 0.562 408 T N 1.654 116.161 114.554 -0.078 0.000 2.938 408 T HA 0.845 5.184 4.350 -0.018 0.000 0.285 408 T C -0.266 174.464 174.700 0.050 0.000 1.028 408 T CA -0.233 61.891 62.100 0.039 0.000 1.005 408 T CB 1.619 70.493 68.868 0.010 0.000 1.157 408 T HN 0.743 nan 8.240 nan 0.000 0.550 409 S N -0.472 115.237 115.700 0.015 0.000 2.757 409 S HA 0.795 5.254 4.470 -0.018 0.000 0.285 409 S C -0.573 173.991 174.600 -0.060 0.000 1.196 409 S CA -0.781 57.390 58.200 -0.048 0.000 0.856 409 S CB 0.763 63.945 63.200 -0.030 0.000 1.212 409 S HN 1.421 nan 8.310 nan 0.000 0.516 410 A N 0.349 123.096 122.820 -0.122 0.000 2.286 410 A HA 0.728 5.037 4.320 -0.018 0.000 0.286 410 A C -0.921 176.710 177.584 0.077 0.000 1.097 410 A CA -0.437 51.589 52.037 -0.017 0.000 0.821 410 A CB -0.023 18.967 19.000 -0.018 0.000 1.076 410 A HN 0.995 nan 8.150 nan 0.000 0.490 411 F N 3.546 123.495 119.950 -0.002 0.000 2.361 411 F HA 0.480 4.996 4.527 -0.018 0.000 0.364 411 F C -1.861 173.977 175.800 0.064 0.000 1.120 411 F CA -2.745 55.256 58.000 0.002 0.000 1.102 411 F CB 1.147 40.136 39.000 -0.018 0.000 1.183 411 F HN 0.372 nan 8.300 nan 0.000 0.476 412 P HA -0.044 nan 4.420 nan 0.000 0.265 412 P C 0.461 177.573 177.300 -0.314 0.000 1.193 412 P CA 0.240 63.199 63.100 -0.235 0.000 0.765 412 P CB 0.909 32.478 31.700 -0.218 0.000 0.823 413 E N 2.712 122.843 120.200 -0.116 0.000 2.130 413 E HA -0.162 4.177 4.350 -0.018 0.000 0.196 413 E C 1.759 178.314 176.600 -0.075 0.000 0.998 413 E CA 1.558 57.923 56.400 -0.057 0.000 0.806 413 E CB -0.598 29.079 29.700 -0.038 0.000 0.738 413 E HN 0.721 nan 8.360 nan 0.000 0.459 414 G N -0.165 108.566 108.800 -0.114 0.000 3.262 414 G HA2 0.363 4.312 3.960 -0.018 0.000 0.228 414 G HA3 0.363 4.312 3.960 -0.018 0.000 0.228 414 G C 0.488 175.318 174.900 -0.117 0.000 1.197 414 G CA 0.256 45.304 45.100 -0.086 0.000 0.819 414 G HN 0.581 nan 8.290 nan 0.000 0.531 415 G N -1.129 107.522 108.800 -0.249 0.000 2.760 415 G HA2 0.224 4.173 3.960 -0.018 0.000 0.246 415 G HA3 0.224 4.173 3.960 -0.018 0.000 0.246 415 G C -0.339 174.341 174.900 -0.365 0.000 1.359 415 G CA 0.013 44.946 45.100 -0.279 0.000 0.861 415 G HN 1.360 nan 8.290 nan 0.000 0.541 416 S N -1.352 114.228 115.700 -0.200 0.000 2.537 416 S HA 0.597 5.056 4.470 -0.018 0.000 0.271 416 S C -0.355 174.224 174.600 -0.035 0.000 1.148 416 S CA 0.396 58.501 58.200 -0.158 0.000 0.868 416 S CB 1.718 64.761 63.200 -0.261 0.000 1.115 416 S HN 0.625 nan 8.310 nan 0.000 0.461 417 D N 2.407 122.784 120.400 -0.039 0.000 2.349 417 D HA 0.199 4.828 4.640 -0.018 0.000 0.214 417 D C 0.288 176.589 176.300 0.001 0.000 1.063 417 D CA 0.401 54.427 54.000 0.043 0.000 0.847 417 D CB 0.059 40.894 40.800 0.058 0.000 0.933 417 D HN 0.612 nan 8.370 nan 0.000 0.513 418 N N -0.438 118.089 118.700 -0.288 0.000 2.143 418 N HA 0.259 4.988 4.740 -0.018 0.000 0.229 418 N C -0.361 174.426 175.510 -1.205 0.000 1.294 418 N CA -0.002 52.674 53.050 -0.624 0.000 0.883 418 N CB 1.719 40.090 38.487 -0.192 0.000 1.148 418 N HN -0.011 nan 8.380 nan 0.000 0.511 419 I N 0.410 120.403 120.570 -0.962 0.000 2.722 419 I HA 0.340 4.499 4.170 -0.018 0.000 0.295 419 I C -0.686 175.406 176.117 -0.041 0.000 1.161 419 I CA -0.986 60.028 61.300 -0.476 0.000 1.032 419 I CB 2.203 40.151 38.000 -0.088 0.000 1.244 419 I HN -0.043 nan 8.210 nan 0.000 0.421 420 S N 3.856 119.666 115.700 0.182 0.000 2.593 420 S HA 0.505 4.964 4.470 -0.018 0.000 0.297 420 S C -0.711 173.839 174.600 -0.083 0.000 1.112 420 S CA -0.796 57.546 58.200 0.236 0.000 1.043 420 S CB 2.069 65.488 63.200 0.366 0.000 1.054 420 S HN 0.674 nan 8.310 nan 0.000 0.516 421 Q N 1.004 120.483 119.800 -0.534 0.000 2.274 421 Q HA 0.437 4.766 4.340 -0.018 0.000 0.256 421 Q C -0.142 175.627 176.000 -0.385 0.000 0.927 421 Q CA -0.505 54.788 55.803 -0.850 0.000 0.939 421 Q CB 0.754 28.607 28.738 -1.476 0.000 1.201 421 Q HN 0.872 nan 8.270 nan 0.000 0.426 422 L N 2.164 123.186 121.223 -0.335 0.000 2.470 422 L HA 0.512 4.841 4.340 -0.018 0.000 0.219 422 L C 0.418 177.136 176.870 -0.254 0.000 1.071 422 L CA 0.154 54.833 54.840 -0.269 0.000 0.850 422 L CB 0.508 42.302 42.059 -0.441 0.000 1.040 422 L HN 0.632 nan 8.230 nan 0.000 0.475 423 A N -1.179 121.466 122.820 -0.292 0.000 2.564 423 A HA 0.616 4.925 4.320 -0.018 0.000 0.291 423 A C -2.727 174.780 177.584 -0.128 0.000 1.102 423 A CA -1.008 50.931 52.037 -0.164 0.000 0.660 423 A CB 0.276 19.185 19.000 -0.152 0.000 1.283 423 A HN -0.238 nan 8.150 nan 0.000 0.430 424 P HA 0.258 nan 4.420 nan 0.000 0.257 424 P C 1.003 178.314 177.300 0.018 0.000 1.189 424 P CA 2.496 65.593 63.100 -0.005 0.000 0.780 424 P CB 0.174 31.886 31.700 0.021 0.000 0.772 425 G N 2.398 111.235 108.800 0.062 0.000 2.184 425 G HA2 -0.282 3.667 3.960 -0.018 0.000 0.264 425 G HA3 -0.282 3.667 3.960 -0.018 0.000 0.264 425 G C -0.138 174.816 174.900 0.090 0.000 0.975 425 G CA -0.122 45.049 45.100 0.119 0.000 0.642 425 G HN 0.560 nan 8.290 nan 0.000 0.536 426 L N 1.693 122.902 121.223 -0.025 0.000 2.272 426 L HA 0.794 5.123 4.340 -0.018 0.000 0.289 426 L C 0.674 177.465 176.870 -0.132 0.000 1.032 426 L CA 0.172 54.934 54.840 -0.129 0.000 0.810 426 L CB 1.166 43.022 42.059 -0.338 0.000 1.205 426 L HN 0.383 nan 8.230 nan 0.000 0.422 427 G N 3.337 112.123 108.800 -0.024 0.000 2.568 427 G HA2 0.780 4.729 3.960 -0.018 0.000 0.313 427 G HA3 0.780 4.729 3.960 -0.018 0.000 0.313 427 G C -1.646 173.257 174.900 0.004 0.000 1.227 427 G CA -0.362 44.774 45.100 0.060 0.000 0.979 427 G HN 0.932 nan 8.290 nan 0.000 0.486 428 A N 1.290 124.150 122.820 0.068 0.000 2.522 428 A HA 0.755 5.064 4.320 -0.018 0.000 0.285 428 A C -2.817 174.888 177.584 0.201 0.000 1.198 428 A CA -1.317 50.798 52.037 0.130 0.000 0.742 428 A CB 1.584 20.647 19.000 0.106 0.000 1.176 428 A HN 0.400 nan 8.150 nan 0.000 0.444 429 P HA 0.181 nan 4.420 nan 0.000 0.266 429 P C -0.376 177.158 177.300 0.389 0.000 1.195 429 P CA 0.253 63.485 63.100 0.220 0.000 0.768 429 P CB 0.183 32.075 31.700 0.319 0.000 0.838 430 F N 3.264 123.305 119.950 0.152 0.000 2.506 430 F HA 0.236 4.753 4.527 -0.018 0.000 0.351 430 F C 1.615 177.323 175.800 -0.153 0.000 1.136 430 F CA 0.464 58.444 58.000 -0.034 0.000 1.298 430 F CB -0.395 38.603 39.000 -0.004 0.000 1.145 430 F HN 0.493 nan 8.300 nan 0.000 0.593 431 H N -0.455 118.427 119.070 -0.314 0.000 2.902 431 H HA 0.494 5.039 4.556 -0.018 0.000 0.297 431 H C -1.821 173.189 175.328 -0.531 0.000 1.406 431 H CA -1.113 54.554 56.048 -0.635 0.000 1.134 431 H CB 1.357 30.270 29.762 -1.415 0.000 1.833 431 H HN 0.586 nan 8.280 nan 0.000 0.527 432 Q N 0.063 119.558 119.800 -0.507 0.000 2.458 432 Q HA 0.381 4.710 4.340 -0.018 0.000 0.282 432 Q C -1.088 174.613 176.000 -0.499 0.000 1.106 432 Q CA -0.984 54.557 55.803 -0.436 0.000 0.814 432 Q CB 2.874 31.431 28.738 -0.302 0.000 1.425 432 Q HN 0.529 nan 8.270 nan 0.000 0.437 433 H N 1.399 120.340 119.070 -0.214 0.000 2.887 433 H HA 0.441 4.986 4.556 -0.018 0.000 0.300 433 H C -0.938 174.126 175.328 -0.440 0.000 1.038 433 H CA -0.191 55.662 56.048 -0.326 0.000 1.352 433 H CB 0.634 30.285 29.762 -0.185 0.000 1.473 433 H HN 0.446 nan 8.280 nan 0.000 0.503 434 I N 4.060 124.340 120.570 -0.483 0.000 2.406 434 I HA 0.254 4.413 4.170 -0.018 0.000 0.290 434 I C -0.559 175.215 176.117 -0.572 0.000 0.999 434 I CA -0.615 60.438 61.300 -0.411 0.000 1.124 434 I CB 1.128 38.962 38.000 -0.276 0.000 1.289 434 I HN 0.191 nan 8.210 nan 0.000 0.441 435 F N 3.094 122.747 119.950 -0.496 0.000 2.483 435 F HA 0.543 5.060 4.527 -0.018 0.000 0.329 435 F C 0.558 176.135 175.800 -0.371 0.000 1.064 435 F CA -0.882 56.788 58.000 -0.550 0.000 0.986 435 F CB 1.805 40.169 39.000 -1.060 0.000 1.218 435 F HN 0.253 nan 8.300 nan 0.000 0.484 436 S N 1.141 116.871 115.700 0.050 0.000 2.659 436 S HA 0.777 5.236 4.470 -0.018 0.000 0.312 436 S C -0.930 173.770 174.600 0.168 0.000 1.114 436 S CA -0.529 57.741 58.200 0.117 0.000 1.063 436 S CB 0.505 63.633 63.200 -0.121 0.000 0.996 436 S HN 0.837 nan 8.310 nan 0.000 0.478 437 A N 4.912 127.880 122.820 0.246 0.000 2.260 437 A HA 0.609 4.918 4.320 -0.018 0.000 0.308 437 A C 0.138 177.743 177.584 0.036 0.000 1.254 437 A CA -0.678 51.461 52.037 0.170 0.000 0.874 437 A CB 0.352 19.417 19.000 0.107 0.000 1.153 437 A HN 0.853 nan 8.150 nan 0.000 0.527 438 R N 3.533 123.990 120.500 -0.072 0.000 2.207 438 R HA 0.528 4.857 4.340 -0.018 0.000 0.334 438 R C -1.549 174.565 176.300 -0.309 0.000 1.013 438 R CA -0.339 55.513 56.100 -0.414 0.000 0.858 438 R CB 0.274 30.190 30.300 -0.640 0.000 1.094 438 R HN 0.711 nan 8.270 nan 0.000 0.457 439 L N 4.591 125.627 121.223 -0.311 0.000 2.337 439 L HA 0.248 4.577 4.340 -0.018 0.000 0.269 439 L C -0.463 176.291 176.870 -0.194 0.000 1.018 439 L CA -0.870 53.865 54.840 -0.176 0.000 0.876 439 L CB 1.442 43.462 42.059 -0.065 0.000 1.236 439 L HN 0.564 nan 8.230 nan 0.000 0.436 440 D N 4.966 125.261 120.400 -0.175 0.000 2.383 440 D HA 0.155 4.784 4.640 -0.018 0.000 0.245 440 D C 0.186 176.473 176.300 -0.021 0.000 1.263 440 D CA -0.233 53.717 54.000 -0.084 0.000 0.936 440 D CB 0.615 41.385 40.800 -0.051 0.000 1.053 440 D HN 0.142 nan 8.370 nan 0.000 0.507 441 M N 2.348 121.953 119.600 0.010 0.000 2.240 441 M HA 0.375 4.844 4.480 -0.018 0.000 0.333 441 M C 0.408 176.742 176.300 0.057 0.000 1.110 441 M CA -0.428 54.882 55.300 0.017 0.000 1.173 441 M CB 0.797 33.416 32.600 0.033 0.000 1.458 441 M HN 0.504 nan 8.290 nan 0.000 0.458 442 A N 3.248 126.041 122.820 -0.045 0.000 3.368 442 A HA 0.371 4.680 4.320 -0.018 0.000 0.211 442 A C -0.364 177.147 177.584 -0.121 0.000 1.004 442 A CA -0.552 51.388 52.037 -0.163 0.000 1.059 442 A CB 0.096 18.846 19.000 -0.417 0.000 1.298 442 A HN 0.612 nan 8.150 nan 0.000 0.613 443 I N 1.622 122.179 120.570 -0.022 0.000 2.680 443 I HA 0.026 4.185 4.170 -0.018 0.000 0.286 443 I C 0.501 176.682 176.117 0.108 0.000 1.144 443 I CA 0.927 62.276 61.300 0.081 0.000 1.370 443 I CB -0.962 37.124 38.000 0.143 0.000 1.420 443 I HN 0.495 nan 8.210 nan 0.000 0.540 444 D N 4.927 125.415 120.400 0.147 0.000 2.911 444 D HA -0.166 4.463 4.640 -0.018 0.000 0.227 444 D C 0.617 176.885 176.300 -0.052 0.000 1.164 444 D CA 1.703 55.724 54.000 0.035 0.000 0.782 444 D CB -0.720 40.062 40.800 -0.031 0.000 1.094 444 D HN 1.118 nan 8.370 nan 0.000 0.425 445 G N -2.412 106.309 108.800 -0.131 0.000 0.000 445 G HA2 -0.016 3.933 3.960 -0.018 0.000 0.000 445 G HA3 -0.016 3.933 3.960 -0.018 0.000 0.000 445 G C 0.152 174.918 174.900 -0.224 0.000 0.000 445 G CA -0.383 44.583 45.100 -0.223 0.000 0.000 445 G HN 0.012 nan 8.290 nan 0.000 0.000 446 F N 0.749 120.694 119.950 -0.008 0.000 2.710 446 F HA 0.219 4.735 4.527 -0.018 0.000 0.298 446 F C 2.282 178.085 175.800 0.005 0.000 1.137 446 F CA 1.142 59.132 58.000 -0.016 0.000 1.444 446 F CB 0.257 39.233 39.000 -0.041 0.000 1.111 446 F HN 0.275 nan 8.300 nan 0.000 0.580 447 T N 2.340 116.992 114.554 0.164 0.000 2.978 447 T HA 0.139 4.478 4.350 -0.018 0.000 0.278 447 T C -0.029 174.729 174.700 0.097 0.000 0.945 447 T CA -0.003 62.167 62.100 0.116 0.000 1.070 447 T CB -0.797 68.120 68.868 0.080 0.000 0.948 447 T HN 0.209 nan 8.240 nan 0.000 0.617 448 N N 2.107 120.873 118.700 0.110 0.000 2.453 448 N HA 0.770 5.499 4.740 -0.018 0.000 0.290 448 N C -0.375 175.193 175.510 0.096 0.000 1.250 448 N CA -1.332 51.778 53.050 0.100 0.000 0.815 448 N CB 1.985 40.537 38.487 0.107 0.000 1.381 448 N HN 0.489 nan 8.380 nan 0.000 0.510 449 R N -1.081 119.476 120.500 0.094 0.000 2.710 449 R HA 0.638 4.967 4.340 -0.018 0.000 0.270 449 R C -2.049 174.314 176.300 0.105 0.000 1.021 449 R CA -0.808 55.349 56.100 0.094 0.000 0.889 449 R CB 0.992 31.340 30.300 0.081 0.000 1.243 449 R HN 0.183 nan 8.270 nan 0.000 0.464 450 V N 1.210 121.192 119.914 0.113 0.000 2.555 450 V HA 0.432 4.541 4.120 -0.018 0.000 0.302 450 V C -0.513 175.668 176.094 0.146 0.000 1.038 450 V CA -0.707 61.677 62.300 0.140 0.000 0.887 450 V CB 1.790 33.702 31.823 0.149 0.000 0.991 450 V HN 0.769 nan 8.190 nan 0.000 0.434 451 E N 2.341 122.635 120.200 0.156 0.000 2.222 451 E HA 0.434 4.773 4.350 -0.018 0.000 0.267 451 E C -0.967 175.719 176.600 0.144 0.000 0.884 451 E CA -0.649 55.827 56.400 0.126 0.000 0.764 451 E CB 2.836 32.580 29.700 0.073 0.000 1.169 451 E HN 0.727 nan 8.360 nan 0.000 0.413 452 E N 2.659 122.929 120.200 0.115 0.000 2.200 452 E HA 0.084 4.423 4.350 -0.018 0.000 0.283 452 E C -1.015 175.508 176.600 -0.128 0.000 1.015 452 E CA -0.288 56.092 56.400 -0.034 0.000 0.819 452 E CB 0.959 30.702 29.700 0.072 0.000 1.081 452 E HN 0.412 nan 8.360 nan 0.000 0.397 453 E N 4.282 124.332 120.200 -0.250 0.000 2.145 453 E HA 0.193 4.532 4.350 -0.018 0.000 0.270 453 E C -1.289 175.189 176.600 -0.204 0.000 0.906 453 E CA -0.795 55.502 56.400 -0.172 0.000 0.761 453 E CB 0.970 30.589 29.700 -0.135 0.000 1.116 453 E HN 0.405 nan 8.360 nan 0.000 0.408 454 D N 2.564 122.890 120.400 -0.123 0.000 2.457 454 D HA 0.264 4.894 4.640 -0.018 0.000 0.240 454 D C -0.521 175.751 176.300 -0.048 0.000 1.041 454 D CA -0.555 53.383 54.000 -0.103 0.000 0.861 454 D CB 2.178 42.932 40.800 -0.077 0.000 1.394 454 D HN 0.165 nan 8.370 nan 0.000 0.473 455 V N 1.286 121.176 119.914 -0.040 0.000 2.811 455 V HA 0.211 4.320 4.120 -0.018 0.000 0.302 455 V C 0.186 176.289 176.094 0.014 0.000 1.063 455 V CA -0.238 62.063 62.300 0.003 0.000 1.088 455 V CB 1.441 33.241 31.823 -0.038 0.000 0.982 455 V HN 0.264 nan 8.190 nan 0.000 0.485 456 V N 5.986 125.938 119.914 0.063 0.000 2.407 456 V HA 0.442 4.551 4.120 -0.018 0.000 0.291 456 V C 0.193 176.339 176.094 0.087 0.000 1.018 456 V CA -0.784 61.548 62.300 0.054 0.000 0.842 456 V CB 1.554 33.405 31.823 0.047 0.000 0.996 456 V HN 0.810 nan 8.190 nan 0.000 0.426 457 R N 3.464 123.995 120.500 0.052 0.000 2.459 457 R HA 0.576 4.905 4.340 -0.018 0.000 0.281 457 R C -0.541 175.795 176.300 0.059 0.000 1.050 457 R CA -0.482 55.655 56.100 0.062 0.000 1.055 457 R CB 1.166 31.479 30.300 0.021 0.000 1.045 457 R HN 0.674 nan 8.270 nan 0.000 0.495 458 Q N 0.400 120.243 119.800 0.071 0.000 2.377 458 Q HA 0.308 4.637 4.340 -0.018 0.000 0.271 458 Q C -0.799 175.224 176.000 0.038 0.000 1.077 458 Q CA -0.722 55.111 55.803 0.049 0.000 0.820 458 Q CB 2.605 31.373 28.738 0.050 0.000 1.347 458 Q HN 0.455 nan 8.270 nan 0.000 0.444 459 T N 1.924 116.493 114.554 0.025 0.000 2.889 459 T HA 0.274 4.613 4.350 -0.018 0.000 0.291 459 T C 0.018 174.729 174.700 0.018 0.000 0.995 459 T CA -0.434 61.678 62.100 0.020 0.000 1.092 459 T CB 0.547 69.424 68.868 0.014 0.000 0.954 459 T HN 0.457 nan 8.240 nan 0.000 0.506 460 M N 2.938 122.548 119.600 0.017 0.000 2.238 460 M HA 0.437 4.906 4.480 -0.018 0.000 0.350 460 M C 0.526 176.833 176.300 0.010 0.000 1.321 460 M CA 0.943 56.252 55.300 0.014 0.000 1.097 460 M CB -0.434 32.174 32.600 0.014 0.000 1.713 460 M HN 0.928 nan 8.290 nan 0.000 0.455 461 G N 4.462 113.267 108.800 0.008 0.000 2.344 461 G HA2 0.180 4.129 3.960 -0.018 0.000 0.282 461 G HA3 0.180 4.129 3.960 -0.018 0.000 0.282 461 G C -3.315 171.587 174.900 0.004 0.000 1.281 461 G CA -1.036 44.067 45.100 0.006 0.000 0.877 461 G HN 0.479 nan 8.290 nan 0.000 0.494 462 P HA 0.269 nan 4.420 nan 0.000 0.261 462 P C 1.057 178.357 177.300 -0.000 0.000 1.183 462 P CA 2.061 65.162 63.100 0.001 0.000 0.761 462 P CB 0.682 32.383 31.700 0.001 0.000 0.785 463 G N 2.822 111.621 108.800 -0.002 0.000 2.199 463 G HA2 -0.274 3.675 3.960 -0.018 0.000 0.254 463 G HA3 -0.274 3.675 3.960 -0.018 0.000 0.254 463 G C 0.407 175.303 174.900 -0.005 0.000 0.982 463 G CA 0.383 45.480 45.100 -0.005 0.000 0.632 463 G HN 0.721 nan 8.290 nan 0.000 0.529 464 N N -0.064 118.635 118.700 -0.001 0.000 2.605 464 N HA 0.305 5.034 4.740 -0.018 0.000 0.265 464 N C 0.926 176.439 175.510 0.005 0.000 1.625 464 N CA 0.475 53.526 53.050 0.002 0.000 0.862 464 N CB 0.346 38.837 38.487 0.006 0.000 1.415 464 N HN 0.127 nan 8.380 nan 0.000 0.513 465 E N 0.084 120.286 120.200 0.003 0.000 2.209 465 E HA -0.041 4.298 4.350 -0.018 0.000 0.196 465 E C 1.170 177.774 176.600 0.007 0.000 0.993 465 E CA 1.229 57.631 56.400 0.004 0.000 0.819 465 E CB 0.106 29.807 29.700 0.002 0.000 0.745 465 E HN 0.396 nan 8.360 nan 0.000 0.477 466 R N -0.875 119.629 120.500 0.008 0.000 2.317 466 R HA 0.158 4.487 4.340 -0.018 0.000 0.208 466 R C 0.786 177.096 176.300 0.017 0.000 0.914 466 R CA 0.488 56.594 56.100 0.011 0.000 1.060 466 R CB 0.379 30.685 30.300 0.010 0.000 1.015 466 R HN 0.224 nan 8.270 nan 0.000 0.498 467 G N 2.450 111.261 108.800 0.019 0.000 2.283 467 G HA2 -0.301 3.648 3.960 -0.018 0.000 0.280 467 G HA3 -0.301 3.648 3.960 -0.018 0.000 0.280 467 G C 0.448 175.374 174.900 0.043 0.000 1.029 467 G CA 0.760 45.877 45.100 0.028 0.000 0.840 467 G HN 0.577 nan 8.290 nan 0.000 0.505 468 N N -0.538 118.189 118.700 0.045 0.000 2.294 468 N HA 0.356 5.085 4.740 -0.018 0.000 0.186 468 N C 1.123 176.693 175.510 0.101 0.000 1.107 468 N CA 0.700 53.793 53.050 0.071 0.000 0.884 468 N CB 0.040 38.556 38.487 0.048 0.000 1.030 468 N HN 0.961 nan 8.380 nan 0.000 0.482 469 A N 0.995 123.847 122.820 0.053 0.000 2.462 469 A HA 0.446 4.755 4.320 -0.018 0.000 0.243 469 A C -0.459 177.200 177.584 0.126 0.000 1.076 469 A CA -0.220 51.825 52.037 0.014 0.000 0.773 469 A CB -0.390 18.599 19.000 -0.019 0.000 1.010 469 A HN 0.471 nan 8.150 nan 0.000 0.493 470 F N 0.242 120.187 119.950 -0.008 0.000 2.631 470 F HA 0.807 5.324 4.527 -0.016 0.000 0.308 470 F C -0.275 175.518 175.800 -0.010 0.000 1.097 470 F CA -0.379 57.615 58.000 -0.009 0.000 0.952 470 F CB 0.989 39.983 39.000 -0.010 0.000 1.307 470 F HN 0.630 nan 8.300 nan 0.000 0.450 471 S N 1.011 116.837 115.700 0.211 0.000 3.359 471 S HA 0.898 5.357 4.470 -0.018 0.000 0.323 471 S C -1.434 173.253 174.600 0.145 0.000 1.143 471 S CA -0.586 57.664 58.200 0.083 0.000 0.989 471 S CB 1.442 64.654 63.200 0.019 0.000 1.375 471 S HN 1.159 nan 8.310 nan 0.000 0.728 472 R N 0.196 120.736 120.500 0.066 0.000 2.716 472 R HA 0.629 4.958 4.340 -0.018 0.000 0.271 472 R C -2.019 174.291 176.300 0.017 0.000 1.028 472 R CA -1.063 55.065 56.100 0.047 0.000 0.883 472 R CB 1.020 31.346 30.300 0.044 0.000 1.250 472 R HN 0.699 nan 8.270 nan 0.000 0.465 473 K N 1.109 121.510 120.400 0.002 0.000 2.477 473 K HA 0.598 4.907 4.320 -0.018 0.000 0.255 473 K C -1.170 175.422 176.600 -0.013 0.000 0.952 473 K CA -1.201 55.084 56.287 -0.003 0.000 0.826 473 K CB 2.790 35.289 32.500 -0.000 0.000 1.331 473 K HN 0.609 nan 8.250 nan 0.000 0.437 474 R N 1.036 121.533 120.500 -0.005 0.000 2.513 474 R HA 0.365 4.694 4.340 -0.018 0.000 0.301 474 R C -1.163 175.145 176.300 0.013 0.000 0.968 474 R CA -0.888 55.210 56.100 -0.002 0.000 0.872 474 R CB 2.527 32.830 30.300 0.005 0.000 1.177 474 R HN 0.651 nan 8.270 nan 0.000 0.444 475 T N 2.396 116.963 114.554 0.022 0.000 2.791 475 T HA 0.221 4.560 4.350 -0.018 0.000 0.288 475 T C -0.021 174.715 174.700 0.060 0.000 0.999 475 T CA -0.571 61.551 62.100 0.037 0.000 0.952 475 T CB 1.554 70.445 68.868 0.038 0.000 0.938 475 T HN 0.142 nan 8.240 nan 0.000 0.444 476 V N 5.306 125.254 119.914 0.056 0.000 2.508 476 V HA 0.202 4.311 4.120 -0.018 0.000 0.281 476 V C 0.396 176.534 176.094 0.073 0.000 1.041 476 V CA -0.469 61.872 62.300 0.068 0.000 1.016 476 V CB 0.420 32.276 31.823 0.056 0.000 0.984 476 V HN 0.719 nan 8.190 nan 0.000 0.478 477 L N 5.723 127.000 121.223 0.090 0.000 2.295 477 L HA 0.242 4.571 4.340 -0.018 0.000 0.288 477 L C 1.530 178.446 176.870 0.076 0.000 1.079 477 L CA -0.106 54.786 54.840 0.086 0.000 0.830 477 L CB 0.832 42.953 42.059 0.104 0.000 1.200 477 L HN 0.903 nan 8.230 nan 0.000 0.438 478 T N -0.481 114.110 114.554 0.063 0.000 3.044 478 T HA 0.160 4.499 4.350 -0.018 0.000 0.255 478 T C 0.961 175.695 174.700 0.058 0.000 1.073 478 T CA 0.098 62.233 62.100 0.058 0.000 1.125 478 T CB 0.348 69.244 68.868 0.047 0.000 0.908 478 T HN 0.340 nan 8.240 nan 0.000 0.480 479 R N 0.586 121.121 120.500 0.057 0.000 2.771 479 R HA 0.419 4.748 4.340 -0.018 0.000 0.274 479 R C 0.547 176.886 176.300 0.065 0.000 0.987 479 R CA -0.542 55.593 56.100 0.057 0.000 0.908 479 R CB 1.564 31.892 30.300 0.046 0.000 1.213 479 R HN 0.226 nan 8.270 nan 0.000 0.468 480 E N 0.437 120.682 120.200 0.075 0.000 2.171 480 E HA -0.201 4.138 4.350 -0.018 0.000 0.197 480 E C 1.354 177.997 176.600 0.072 0.000 0.997 480 E CA 2.051 58.506 56.400 0.091 0.000 0.810 480 E CB 0.138 29.902 29.700 0.106 0.000 0.738 480 E HN 0.622 nan 8.360 nan 0.000 0.467 481 S N 0.649 116.381 115.700 0.053 0.000 2.469 481 S HA -0.143 4.316 4.470 -0.018 0.000 0.238 481 S C 1.428 176.038 174.600 0.017 0.000 0.998 481 S CA 0.911 59.132 58.200 0.035 0.000 0.957 481 S CB -0.081 63.137 63.200 0.030 0.000 0.764 481 S HN 0.258 nan 8.310 nan 0.000 0.514 482 E N 0.562 120.777 120.200 0.025 0.000 2.501 482 E HA 0.400 4.739 4.350 -0.018 0.000 0.201 482 E C 0.812 177.422 176.600 0.017 0.000 1.016 482 E CA 0.254 56.665 56.400 0.018 0.000 0.920 482 E CB 0.517 30.236 29.700 0.032 0.000 1.023 482 E HN 0.617 nan 8.360 nan 0.000 0.474 483 A N 1.056 123.885 122.820 0.016 0.000 2.610 483 A HA 0.239 4.548 4.320 -0.018 0.000 0.286 483 A C 0.214 177.751 177.584 -0.079 0.000 1.306 483 A CA -0.182 51.863 52.037 0.014 0.000 0.942 483 A CB 0.309 19.354 19.000 0.076 0.000 1.112 483 A HN 0.024 nan 8.150 nan 0.000 0.527 484 V N 2.760 122.559 119.914 -0.191 0.000 2.294 484 V HA 0.398 4.507 4.120 -0.018 0.000 0.272 484 V C -0.423 175.457 176.094 -0.356 0.000 1.027 484 V CA -0.687 61.315 62.300 -0.498 0.000 0.823 484 V CB 0.564 31.993 31.823 -0.658 0.000 1.030 484 V HN 0.488 nan 8.190 nan 0.000 0.457 485 R N 3.404 123.709 120.500 -0.325 0.000 2.787 485 R HA 0.674 5.003 4.340 -0.018 0.000 0.271 485 R C -0.211 176.051 176.300 -0.064 0.000 0.993 485 R CA -0.752 55.287 56.100 -0.102 0.000 0.993 485 R CB 2.120 32.477 30.300 0.096 0.000 1.155 485 R HN 0.879 nan 8.270 nan 0.000 0.486 486 E N 0.247 120.509 120.200 0.104 0.000 2.263 486 E HA 0.715 5.054 4.350 -0.018 0.000 0.264 486 E C -0.810 175.990 176.600 0.333 0.000 0.923 486 E CA -1.133 55.354 56.400 0.145 0.000 0.802 486 E CB 1.663 31.406 29.700 0.072 0.000 1.228 486 E HN 0.545 nan 8.360 nan 0.000 0.417 487 A N 1.291 124.306 122.820 0.325 0.000 2.366 487 A HA 0.274 4.583 4.320 -0.018 0.000 0.249 487 A C -0.289 177.394 177.584 0.165 0.000 1.084 487 A CA -0.137 52.111 52.037 0.351 0.000 0.794 487 A CB 0.377 19.573 19.000 0.326 0.000 1.034 487 A HN 0.709 nan 8.150 nan 0.000 0.491 488 D N 0.163 120.611 120.400 0.081 0.000 2.527 488 D HA 0.412 5.041 4.640 -0.018 0.000 0.242 488 D C 0.722 177.022 176.300 0.000 0.000 1.285 488 D CA 0.285 54.303 54.000 0.028 0.000 0.886 488 D CB 0.681 41.480 40.800 -0.003 0.000 1.402 488 D HN 0.475 nan 8.370 nan 0.000 0.528 489 A N 2.824 125.662 122.820 0.030 0.000 1.940 489 A HA -0.177 4.132 4.320 -0.018 0.000 0.219 489 A C 2.074 179.655 177.584 -0.006 0.000 1.176 489 A CA 1.357 53.407 52.037 0.022 0.000 0.631 489 A CB -0.245 18.782 19.000 0.046 0.000 0.814 489 A HN 0.500 nan 8.150 nan 0.000 0.446 490 R N -0.322 120.174 120.500 -0.007 0.000 2.127 490 R HA -0.135 4.194 4.340 -0.018 0.000 0.238 490 R C 1.630 177.907 176.300 -0.039 0.000 1.134 490 R CA 1.900 57.988 56.100 -0.021 0.000 0.975 490 R CB -0.310 29.982 30.300 -0.013 0.000 0.865 490 R HN 0.642 nan 8.270 nan 0.000 0.447 491 T N -3.658 110.870 114.554 -0.043 0.000 3.186 491 T HA 0.230 4.569 4.350 -0.018 0.000 0.257 491 T C 0.849 175.504 174.700 -0.075 0.000 1.029 491 T CA 0.211 62.276 62.100 -0.058 0.000 0.916 491 T CB 0.807 69.644 68.868 -0.052 0.000 1.041 491 T HN 0.341 nan 8.240 nan 0.000 0.562 492 G N 2.436 111.195 108.800 -0.069 0.000 2.341 492 G HA2 -0.344 3.605 3.960 -0.018 0.000 0.292 492 G HA3 -0.344 3.605 3.960 -0.018 0.000 0.292 492 G C 0.032 174.853 174.900 -0.132 0.000 1.021 492 G CA 0.251 45.308 45.100 -0.071 0.000 0.905 492 G HN 0.916 nan 8.290 nan 0.000 0.508 493 R N 0.523 120.906 120.500 -0.194 0.000 2.522 493 R HA 0.440 4.769 4.340 -0.018 0.000 0.284 493 R C 0.832 176.765 176.300 -0.612 0.000 1.032 493 R CA 0.927 56.791 56.100 -0.394 0.000 1.049 493 R CB 0.251 30.301 30.300 -0.415 0.000 0.956 493 R HN 0.465 nan 8.270 nan 0.000 0.422 494 T N 0.661 114.770 114.554 -0.742 0.000 2.838 494 T HA 0.530 4.869 4.350 -0.018 0.000 0.292 494 T C -1.008 173.167 174.700 -0.875 0.000 1.113 494 T CA -0.960 60.703 62.100 -0.729 0.000 1.008 494 T CB 1.245 69.859 68.868 -0.424 0.000 1.259 494 T HN 0.560 nan 8.240 nan 0.000 0.520 495 W N 0.625 121.866 121.300 -0.098 0.000 2.739 495 W HA 0.600 5.249 4.660 -0.018 0.000 0.331 495 W C -1.093 175.400 176.519 -0.044 0.000 1.049 495 W CA -1.181 56.134 57.345 -0.051 0.000 1.234 495 W CB 1.673 31.112 29.460 -0.036 0.000 1.404 495 W HN 0.584 nan 8.180 nan 0.000 0.477 496 I N 4.377 125.041 120.570 0.156 0.000 2.354 496 I HA 0.290 4.449 4.170 -0.018 0.000 0.292 496 I C -0.387 175.817 176.117 0.144 0.000 0.989 496 I CA -0.994 60.376 61.300 0.115 0.000 1.188 496 I CB 1.355 39.392 38.000 0.062 0.000 1.342 496 I HN 0.076 nan 8.210 nan 0.000 0.457 497 I N 6.147 126.809 120.570 0.153 0.000 2.312 497 I HA 0.292 4.451 4.170 -0.018 0.000 0.290 497 I C 0.363 176.568 176.117 0.146 0.000 1.008 497 I CA 0.305 61.690 61.300 0.141 0.000 1.226 497 I CB 1.297 39.373 38.000 0.128 0.000 1.371 497 I HN 0.597 nan 8.210 nan 0.000 0.468 498 S N 4.107 119.881 115.700 0.123 0.000 2.709 498 S HA 0.607 5.066 4.470 -0.018 0.000 0.302 498 S C -0.759 173.900 174.600 0.099 0.000 1.127 498 S CA -0.918 57.354 58.200 0.119 0.000 0.905 498 S CB 1.979 65.234 63.200 0.092 0.000 1.151 498 S HN 0.506 nan 8.310 nan 0.000 0.510 499 N N 1.701 120.452 118.700 0.085 0.000 2.518 499 N HA 0.381 5.110 4.740 -0.018 0.000 0.254 499 N C -2.078 173.456 175.510 0.040 0.000 0.979 499 N CA -2.277 50.809 53.050 0.061 0.000 0.930 499 N CB 1.739 40.255 38.487 0.049 0.000 1.152 499 N HN 0.393 nan 8.380 nan 0.000 0.505 500 P HA -0.040 nan 4.420 nan 0.000 0.230 500 P C 0.064 177.375 177.300 0.018 0.000 1.158 500 P CA 1.082 64.199 63.100 0.030 0.000 0.769 500 P CB 0.549 32.270 31.700 0.036 0.000 0.807 501 E N -0.869 119.341 120.200 0.016 0.000 2.481 501 E HA 0.121 4.460 4.350 -0.018 0.000 0.198 501 E C 0.294 176.887 176.600 -0.011 0.000 1.027 501 E CA -0.009 56.395 56.400 0.006 0.000 0.900 501 E CB 0.399 30.107 29.700 0.013 0.000 0.993 501 E HN 0.011 nan 8.360 nan 0.000 0.482 502 S N 1.251 116.939 115.700 -0.020 0.000 2.707 502 S HA 0.305 4.764 4.470 -0.018 0.000 0.312 502 S C -0.893 173.669 174.600 -0.064 0.000 1.116 502 S CA -0.699 57.470 58.200 -0.052 0.000 1.078 502 S CB 0.440 63.596 63.200 -0.072 0.000 0.997 502 S HN -0.039 nan 8.310 nan 0.000 0.477 503 K N 2.952 123.313 120.400 -0.065 0.000 2.208 503 K HA 0.420 4.729 4.320 -0.018 0.000 0.247 503 K C -0.004 176.543 176.600 -0.088 0.000 0.953 503 K CA -1.025 55.224 56.287 -0.063 0.000 0.837 503 K CB 0.984 33.461 32.500 -0.038 0.000 1.131 503 K HN 0.748 nan 8.250 nan 0.000 0.431 504 N N 0.430 119.078 118.700 -0.086 0.000 2.322 504 N HA 0.010 4.739 4.740 -0.018 0.000 0.270 504 N C 0.690 176.167 175.510 -0.056 0.000 1.286 504 N CA -0.433 52.563 53.050 -0.091 0.000 0.948 504 N CB 0.280 38.719 38.487 -0.079 0.000 1.164 504 N HN 0.573 nan 8.380 nan 0.000 0.551 505 R N -0.788 119.686 120.500 -0.044 0.000 2.293 505 R HA 0.030 4.359 4.340 -0.018 0.000 0.219 505 R C 0.491 176.778 176.300 -0.022 0.000 1.091 505 R CA 1.072 57.154 56.100 -0.029 0.000 1.004 505 R CB -0.690 29.598 30.300 -0.020 0.000 0.865 505 R HN 0.558 nan 8.270 nan 0.000 0.469 506 L N 1.048 122.258 121.223 -0.022 0.000 2.653 506 L HA 0.170 4.499 4.340 -0.018 0.000 0.231 506 L C 0.242 177.102 176.870 -0.017 0.000 1.153 506 L CA -0.101 54.729 54.840 -0.017 0.000 0.933 506 L CB -0.563 41.488 42.059 -0.013 0.000 1.175 506 L HN 0.443 nan 8.230 nan 0.000 0.473 507 N N 1.286 119.974 118.700 -0.021 0.000 2.747 507 N HA -0.151 4.578 4.740 -0.018 0.000 0.249 507 N C -0.446 175.054 175.510 -0.016 0.000 1.107 507 N CA 0.208 53.247 53.050 -0.019 0.000 0.707 507 N CB 0.003 38.481 38.487 -0.014 0.000 1.054 507 N HN 0.345 nan 8.380 nan 0.000 0.555 508 E N 0.259 120.447 120.200 -0.019 0.000 2.199 508 E HA 0.402 4.741 4.350 -0.018 0.000 0.269 508 E C -2.499 174.091 176.600 -0.016 0.000 0.899 508 E CA -1.756 54.637 56.400 -0.013 0.000 0.772 508 E CB 1.507 31.201 29.700 -0.009 0.000 1.155 508 E HN 0.133 nan 8.360 nan 0.000 0.408 509 P HA -0.064 nan 4.420 nan 0.000 0.264 509 P C -0.046 177.258 177.300 0.006 0.000 1.193 509 P CA -0.062 63.038 63.100 0.001 0.000 0.763 509 P CB 0.374 32.086 31.700 0.020 0.000 0.810 510 V N 1.804 121.710 119.914 -0.013 0.000 2.843 510 V HA 0.750 4.859 4.120 -0.018 0.000 0.305 510 V C 0.574 176.757 176.094 0.148 0.000 1.065 510 V CA 0.212 62.517 62.300 0.009 0.000 1.116 510 V CB 0.365 32.092 31.823 -0.161 0.000 0.968 510 V HN 0.733 nan 8.190 nan 0.000 0.487 511 G N 2.234 111.172 108.800 0.229 0.000 2.600 511 G HA2 0.602 4.551 3.960 -0.018 0.000 0.293 511 G HA3 0.602 4.551 3.960 -0.018 0.000 0.293 511 G C -2.333 172.704 174.900 0.228 0.000 1.408 511 G CA -0.745 44.500 45.100 0.243 0.000 0.782 511 G HN 0.724 nan 8.290 nan 0.000 0.482 512 Y N -0.055 120.273 120.300 0.048 0.000 2.442 512 Y HA 0.604 5.143 4.550 -0.018 0.000 0.344 512 Y C 0.128 176.054 175.900 0.043 0.000 0.976 512 Y CA -0.788 57.323 58.100 0.018 0.000 1.040 512 Y CB 2.745 41.186 38.460 -0.032 0.000 1.228 512 Y HN 0.490 nan 8.280 nan 0.000 0.451 513 K N 4.113 124.569 120.400 0.094 0.000 2.235 513 K HA 0.503 4.812 4.320 -0.018 0.000 0.266 513 K C -1.572 175.039 176.600 0.020 0.000 0.980 513 K CA -0.852 55.442 56.287 0.012 0.000 0.849 513 K CB 0.913 33.353 32.500 -0.100 0.000 1.098 513 K HN 0.628 nan 8.250 nan 0.000 0.445 514 L N 5.586 126.824 121.223 0.025 0.000 2.265 514 L HA 0.250 4.579 4.340 -0.018 0.000 0.288 514 L C -1.092 175.756 176.870 -0.037 0.000 1.058 514 L CA 0.114 55.007 54.840 0.088 0.000 0.809 514 L CB 0.515 42.646 42.059 0.121 0.000 1.179 514 L HN 0.636 nan 8.230 nan 0.000 0.429 515 H N 5.355 124.533 119.070 0.180 0.000 2.581 515 H HA 0.581 5.126 4.556 -0.019 0.000 0.308 515 H C -0.328 175.134 175.328 0.223 0.000 1.040 515 H CA -0.340 55.808 56.048 0.167 0.000 1.231 515 H CB 1.482 31.330 29.762 0.143 0.000 1.396 515 H HN 0.846 nan 8.280 nan 0.000 0.467 516 A N 2.623 125.641 122.820 0.330 0.000 2.269 516 A HA 0.225 4.534 4.320 -0.018 0.000 0.319 516 A C 0.576 178.447 177.584 0.479 0.000 1.110 516 A CA -0.549 51.720 52.037 0.387 0.000 0.847 516 A CB 0.561 19.833 19.000 0.453 0.000 1.161 516 A HN 0.914 nan 8.150 nan 0.000 0.497 517 H N 0.693 119.943 119.070 0.301 0.000 2.548 517 H HA -0.007 4.538 4.556 -0.018 0.000 0.268 517 H C -0.121 175.325 175.328 0.197 0.000 0.975 517 H CA 0.289 56.465 56.048 0.213 0.000 1.195 517 H CB 0.180 30.060 29.762 0.197 0.000 1.397 517 H HN 0.751 nan 8.280 nan 0.000 0.572 518 N N 1.900 120.822 118.700 0.370 0.000 2.735 518 N HA -0.160 4.569 4.740 -0.018 0.000 0.248 518 N C -0.608 175.032 175.510 0.217 0.000 1.083 518 N CA 0.528 53.742 53.050 0.274 0.000 0.703 518 N CB -0.887 37.721 38.487 0.202 0.000 1.005 518 N HN 0.488 nan 8.380 nan 0.000 0.550 519 Q N -0.089 119.855 119.800 0.239 0.000 2.382 519 Q HA 0.386 4.715 4.340 -0.018 0.000 0.229 519 Q C -1.780 174.300 176.000 0.133 0.000 1.006 519 Q CA -1.091 54.818 55.803 0.176 0.000 0.916 519 Q CB 0.114 28.968 28.738 0.193 0.000 1.235 519 Q HN 0.138 nan 8.270 nan 0.000 0.512 520 P HA 0.007 nan 4.420 nan 0.000 0.269 520 P C -0.245 177.077 177.300 0.037 0.000 1.209 520 P CA 0.224 63.360 63.100 0.059 0.000 0.776 520 P CB 0.466 32.189 31.700 0.038 0.000 0.876 521 T N 0.081 114.651 114.554 0.026 0.000 2.891 521 T HA 0.323 4.662 4.350 -0.018 0.000 0.294 521 T C 0.278 174.946 174.700 -0.053 0.000 1.065 521 T CA -0.914 61.181 62.100 -0.009 0.000 0.936 521 T CB 0.055 68.928 68.868 0.009 0.000 1.415 521 T HN 0.179 nan 8.240 nan 0.000 0.572 522 L N 1.002 122.167 121.223 -0.095 0.000 2.601 522 L HA 0.130 4.459 4.340 -0.018 0.000 0.277 522 L C 0.791 177.624 176.870 -0.063 0.000 1.219 522 L CA 0.289 55.061 54.840 -0.113 0.000 0.915 522 L CB -0.451 41.516 42.059 -0.154 0.000 1.160 522 L HN 0.640 nan 8.230 nan 0.000 0.494 523 L N 5.030 126.219 121.223 -0.056 0.000 2.477 523 L HA 0.237 4.566 4.340 -0.018 0.000 0.220 523 L C 1.407 178.275 176.870 -0.003 0.000 1.106 523 L CA 0.184 55.013 54.840 -0.019 0.000 0.851 523 L CB -0.516 41.537 42.059 -0.009 0.000 0.994 523 L HN 0.835 nan 8.230 nan 0.000 0.462 524 A N 0.668 123.480 122.820 -0.012 0.000 2.547 524 A HA -0.101 4.208 4.320 -0.018 0.000 0.233 524 A C 0.298 177.890 177.584 0.014 0.000 1.067 524 A CA -0.061 51.981 52.037 0.009 0.000 0.763 524 A CB -0.045 18.961 19.000 0.010 0.000 1.007 524 A HN 0.274 nan 8.150 nan 0.000 0.506 525 D N 2.040 122.456 120.400 0.026 0.000 2.488 525 D HA 0.024 4.653 4.640 -0.018 0.000 0.238 525 D C -1.185 175.125 176.300 0.018 0.000 1.138 525 D CA -0.890 53.124 54.000 0.024 0.000 0.873 525 D CB 0.872 41.690 40.800 0.031 0.000 1.183 525 D HN 0.281 nan 8.370 nan 0.000 0.458 526 P HA -0.084 nan 4.420 nan 0.000 0.223 526 P C 0.958 178.262 177.300 0.007 0.000 1.144 526 P CA 0.766 63.870 63.100 0.007 0.000 0.783 526 P CB 0.130 31.834 31.700 0.006 0.000 0.771 527 G N -0.174 108.633 108.800 0.012 0.000 3.088 527 G HA2 0.053 4.002 3.960 -0.018 0.000 0.217 527 G HA3 0.053 4.002 3.960 -0.018 0.000 0.217 527 G C 0.573 175.482 174.900 0.015 0.000 1.159 527 G CA 0.075 45.181 45.100 0.009 0.000 0.760 527 G HN 0.421 nan 8.290 nan 0.000 0.550 528 S N -0.571 115.145 115.700 0.027 0.000 2.614 528 S HA 0.318 4.777 4.470 -0.018 0.000 0.265 528 S C 1.552 176.168 174.600 0.026 0.000 1.303 528 S CA 0.414 58.644 58.200 0.050 0.000 1.000 528 S CB 1.724 64.967 63.200 0.071 0.000 0.935 528 S HN 0.057 nan 8.310 nan 0.000 0.551 529 S N 0.543 116.261 115.700 0.031 0.000 2.368 529 S HA -0.142 4.317 4.470 -0.018 0.000 0.225 529 S C 1.653 176.238 174.600 -0.025 0.000 1.030 529 S CA 1.199 59.351 58.200 -0.081 0.000 0.999 529 S CB -0.780 62.235 63.200 -0.309 0.000 0.844 529 S HN 0.703 nan 8.310 nan 0.000 0.459 530 I N 1.949 122.559 120.570 0.067 0.000 2.315 530 I HA 0.054 4.213 4.170 -0.018 0.000 0.248 530 I C 2.294 178.444 176.117 0.054 0.000 1.117 530 I CA 1.246 62.609 61.300 0.106 0.000 1.404 530 I CB -0.909 37.164 38.000 0.122 0.000 1.071 530 I HN 0.313 nan 8.210 nan 0.000 0.419 531 A N 0.353 123.186 122.820 0.021 0.000 1.972 531 A HA -0.167 4.142 4.320 -0.018 0.000 0.219 531 A C 2.438 180.019 177.584 -0.005 0.000 1.169 531 A CA 1.462 53.496 52.037 -0.006 0.000 0.635 531 A CB -0.529 18.470 19.000 -0.002 0.000 0.810 531 A HN 0.457 nan 8.150 nan 0.000 0.446 532 R N -0.919 119.574 120.500 -0.010 0.000 2.080 532 R HA 0.042 4.371 4.340 -0.018 0.000 0.222 532 R C 2.345 178.627 176.300 -0.029 0.000 1.107 532 R CA 1.096 57.176 56.100 -0.033 0.000 0.980 532 R CB -0.231 30.029 30.300 -0.067 0.000 0.879 532 R HN 0.441 nan 8.270 nan 0.000 0.439 533 R N 0.358 120.858 120.500 -0.000 0.000 2.115 533 R HA 0.048 4.377 4.340 -0.018 0.000 0.226 533 R C 1.041 177.475 176.300 0.223 0.000 1.100 533 R CA 1.147 57.267 56.100 0.033 0.000 0.980 533 R CB 0.158 30.475 30.300 0.027 0.000 0.875 533 R HN 0.069 nan 8.270 nan 0.000 0.445 534 A N 0.238 123.201 122.820 0.239 0.000 2.965 534 A HA 0.482 4.791 4.320 -0.018 0.000 0.304 534 A C 1.270 178.763 177.584 -0.152 0.000 1.214 534 A CA 0.008 52.152 52.037 0.177 0.000 0.977 534 A CB 0.190 19.185 19.000 -0.008 0.000 1.127 534 A HN 0.256 nan 8.150 nan 0.000 0.572 535 A N 0.442 123.257 122.820 -0.009 0.000 1.948 535 A HA -0.109 4.200 4.320 -0.018 0.000 0.220 535 A C 1.812 179.397 177.584 0.002 0.000 1.177 535 A CA 1.912 53.944 52.037 -0.008 0.000 0.636 535 A CB -0.976 18.036 19.000 0.020 0.000 0.815 535 A HN 1.357 nan 8.150 nan 0.000 0.449 536 F N -0.178 119.685 119.950 -0.146 0.000 2.202 536 F HA 0.021 4.537 4.527 -0.018 0.000 0.301 536 F C 2.039 177.931 175.800 0.154 0.000 1.082 536 F CA 0.769 58.611 58.000 -0.263 0.000 1.313 536 F CB -0.975 37.741 39.000 -0.473 0.000 1.024 536 F HN 0.154 nan 8.300 nan 0.000 0.495 537 A N 0.478 122.594 122.820 -1.173 0.000 2.209 537 A HA -0.018 4.291 4.320 -0.018 0.000 0.212 537 A C 2.100 179.542 177.584 -0.238 0.000 1.158 537 A CA 1.336 52.901 52.037 -0.786 0.000 0.742 537 A CB -1.494 16.908 19.000 -0.997 0.000 0.790 537 A HN 0.583 nan 8.150 nan 0.000 0.472 538 T N -3.634 110.877 114.554 -0.072 0.000 3.100 538 T HA 0.200 4.539 4.350 -0.018 0.000 0.253 538 T C 0.609 175.331 174.700 0.037 0.000 1.118 538 T CA 0.195 62.295 62.100 -0.001 0.000 1.058 538 T CB 0.109 68.991 68.868 0.022 0.000 0.953 538 T HN 0.108 nan 8.240 nan 0.000 0.515 539 K N 0.994 121.466 120.400 0.119 0.000 2.426 539 K HA 0.376 4.685 4.320 -0.018 0.000 0.251 539 K C -0.537 176.122 176.600 0.099 0.000 0.941 539 K CA -0.455 55.825 56.287 -0.013 0.000 0.808 539 K CB 2.203 34.462 32.500 -0.402 0.000 1.265 539 K HN -0.051 nan 8.250 nan 0.000 0.432 540 D N 0.381 120.804 120.400 0.038 0.000 2.183 540 D HA -0.028 4.601 4.640 -0.018 0.000 0.203 540 D C 0.033 176.388 176.300 0.092 0.000 0.969 540 D CA 0.820 54.891 54.000 0.119 0.000 0.842 540 D CB 0.282 41.193 40.800 0.184 0.000 0.957 540 D HN 0.110 nan 8.370 nan 0.000 0.484 541 L N -0.465 120.658 121.223 -0.167 0.000 2.455 541 L HA 0.475 4.804 4.340 -0.018 0.000 0.264 541 L C -2.012 174.751 176.870 -0.178 0.000 0.968 541 L CA -0.616 54.092 54.840 -0.220 0.000 0.827 541 L CB 1.594 43.093 42.059 -0.934 0.000 1.317 541 L HN -0.124 nan 8.230 nan 0.000 0.407 542 W N 4.091 125.385 121.300 -0.009 0.000 2.915 542 W HA 0.759 5.408 4.660 -0.018 0.000 0.337 542 W C -1.245 175.381 176.519 0.177 0.000 1.102 542 W CA -0.805 56.570 57.345 0.050 0.000 1.224 542 W CB 2.046 31.512 29.460 0.010 0.000 1.416 542 W HN 0.169 nan 8.180 nan 0.000 0.503 543 V N 2.707 122.834 119.914 0.356 0.000 2.531 543 V HA 0.708 4.817 4.120 -0.018 0.000 0.301 543 V C -0.039 176.248 176.094 0.322 0.000 1.034 543 V CA -0.802 61.694 62.300 0.326 0.000 0.865 543 V CB 1.361 33.292 31.823 0.179 0.000 0.995 543 V HN 0.592 nan 8.190 nan 0.000 0.424 544 T N 1.624 116.416 114.554 0.397 0.000 2.926 544 T HA 0.769 5.108 4.350 -0.018 0.000 0.289 544 T C -0.447 174.387 174.700 0.223 0.000 1.054 544 T CA -0.963 61.321 62.100 0.306 0.000 1.015 544 T CB 2.157 71.248 68.868 0.372 0.000 1.167 544 T HN 0.520 nan 8.240 nan 0.000 0.526 545 R N 0.633 121.220 120.500 0.145 0.000 2.308 545 R HA 0.364 4.693 4.340 -0.018 0.000 0.305 545 R C -0.900 175.445 176.300 0.076 0.000 1.053 545 R CA -0.949 55.217 56.100 0.108 0.000 0.957 545 R CB -0.403 29.939 30.300 0.070 0.000 1.022 545 R HN 0.776 nan 8.270 nan 0.000 0.461 546 Y N 3.140 123.435 120.300 -0.008 0.000 2.712 546 Y HA 0.281 4.820 4.550 -0.018 0.000 0.333 546 Y C -0.757 175.092 175.900 -0.086 0.000 1.225 546 Y CA 0.996 59.059 58.100 -0.061 0.000 1.499 546 Y CB 0.436 38.822 38.460 -0.123 0.000 1.288 546 Y HN 0.748 nan 8.280 nan 0.000 0.575 547 A N 5.245 127.347 122.820 -1.197 0.000 2.517 547 A HA 0.307 4.616 4.320 -0.018 0.000 0.297 547 A C 0.172 177.141 177.584 -1.026 0.000 1.050 547 A CA -0.633 50.879 52.037 -0.874 0.000 0.694 547 A CB 0.927 19.648 19.000 -0.465 0.000 1.277 547 A HN 0.757 nan 8.150 nan 0.000 0.400 548 D N 1.068 121.098 120.400 -0.617 0.000 2.133 548 D HA -0.171 4.458 4.640 -0.018 0.000 0.195 548 D C 0.958 177.096 176.300 -0.271 0.000 0.997 548 D CA 2.381 56.193 54.000 -0.312 0.000 0.840 548 D CB 0.077 40.814 40.800 -0.105 0.000 0.947 548 D HN 0.760 nan 8.370 nan 0.000 0.452 549 D N -0.164 120.074 120.400 -0.271 0.000 2.325 549 D HA -0.031 4.598 4.640 -0.018 0.000 0.225 549 D C -0.215 175.903 176.300 -0.302 0.000 1.096 549 D CA 0.011 53.881 54.000 -0.216 0.000 0.844 549 D CB -0.609 40.113 40.800 -0.129 0.000 0.925 549 D HN 0.147 nan 8.370 nan 0.000 0.513 550 E N 0.687 120.614 120.200 -0.454 0.000 2.261 550 E HA 0.316 4.655 4.350 -0.018 0.000 0.239 550 E C 0.507 176.943 176.600 -0.274 0.000 0.991 550 E CA -0.287 55.734 56.400 -0.632 0.000 0.847 550 E CB 0.957 30.054 29.700 -1.006 0.000 1.223 550 E HN 0.165 nan 8.360 nan 0.000 0.446 551 R N 0.958 121.283 120.500 -0.292 0.000 2.146 551 R HA 0.113 4.442 4.340 -0.018 0.000 0.206 551 R C 0.007 175.994 176.300 -0.522 0.000 1.049 551 R CA 0.662 56.430 56.100 -0.553 0.000 1.029 551 R CB 0.369 30.021 30.300 -1.079 0.000 0.949 551 R HN 0.260 nan 8.270 nan 0.000 0.471 552 Y N 0.296 120.733 120.300 0.229 0.000 2.485 552 Y HA 0.303 4.842 4.550 -0.018 0.000 0.345 552 Y C -1.773 174.164 175.900 0.062 0.000 0.998 552 Y CA -3.224 54.985 58.100 0.181 0.000 1.059 552 Y CB 1.148 39.603 38.460 -0.008 0.000 1.234 552 Y HN -0.177 nan 8.280 nan 0.000 0.461 553 P HA -0.097 nan 4.420 nan 0.000 0.226 553 P C 0.624 177.702 177.300 -0.369 0.000 1.153 553 P CA 1.478 64.290 63.100 -0.480 0.000 0.777 553 P CB 0.134 31.442 31.700 -0.655 0.000 0.794 554 T N -4.702 109.748 114.554 -0.173 0.000 3.085 554 T HA 0.508 4.847 4.350 -0.018 0.000 0.264 554 T C 0.891 175.555 174.700 -0.059 0.000 1.019 554 T CA 0.065 62.110 62.100 -0.092 0.000 0.910 554 T CB -0.146 68.701 68.868 -0.035 0.000 1.059 554 T HN 0.332 nan 8.240 nan 0.000 0.542 555 G N 1.570 110.367 108.800 -0.004 0.000 2.796 555 G HA2 -0.178 3.771 3.960 -0.018 0.000 0.571 555 G HA3 -0.178 3.771 3.960 -0.018 0.000 0.571 555 G C -0.138 174.770 174.900 0.014 0.000 1.370 555 G CA -0.152 44.968 45.100 0.034 0.000 0.856 555 G HN 0.185 nan 8.290 nan 0.000 0.538 556 D N -0.540 119.771 120.400 -0.150 0.000 2.183 556 D HA 0.060 4.689 4.640 -0.018 0.000 0.203 556 D C 0.887 176.632 176.300 -0.925 0.000 0.969 556 D CA 1.488 55.183 54.000 -0.509 0.000 0.842 556 D CB -0.042 40.226 40.800 -0.887 0.000 0.957 556 D HN 0.246 nan 8.370 nan 0.000 0.484 557 F N 0.048 119.844 119.950 -0.256 0.000 2.430 557 F HA 0.232 4.748 4.527 -0.018 0.000 0.362 557 F C 1.024 176.647 175.800 -0.294 0.000 1.103 557 F CA -0.676 57.125 58.000 -0.332 0.000 1.045 557 F CB 1.576 40.306 39.000 -0.450 0.000 1.276 557 F HN -0.368 nan 8.300 nan 0.000 0.444 558 V N 0.295 120.142 119.914 -0.111 0.000 2.825 558 V HA -0.071 4.038 4.120 -0.018 0.000 0.246 558 V C 1.052 177.044 176.094 -0.169 0.000 1.068 558 V CA 0.322 62.511 62.300 -0.185 0.000 1.088 558 V CB -0.467 31.160 31.823 -0.327 0.000 0.733 558 V HN 0.664 nan 8.190 nan 0.000 0.468 559 N N 1.711 120.352 118.700 -0.099 0.000 2.411 559 N HA -0.060 4.669 4.740 -0.018 0.000 0.265 559 N C 0.468 175.941 175.510 -0.062 0.000 1.266 559 N CA 0.722 53.723 53.050 -0.082 0.000 0.889 559 N CB -0.245 38.197 38.487 -0.076 0.000 1.069 559 N HN 0.442 nan 8.380 nan 0.000 0.476 560 Q N 0.380 120.140 119.800 -0.067 0.000 2.435 560 Q HA -0.307 4.022 4.340 -0.018 0.000 0.286 560 Q C -0.838 175.147 176.000 -0.025 0.000 1.229 560 Q CA 0.885 56.651 55.803 -0.061 0.000 0.884 560 Q CB -1.654 27.046 28.738 -0.062 0.000 1.245 560 Q HN 0.691 nan 8.270 nan 0.000 0.488 561 H N -0.179 118.792 119.070 -0.164 0.000 2.489 561 H HA 0.422 4.967 4.556 -0.018 0.000 0.343 561 H C 0.325 175.553 175.328 -0.166 0.000 1.086 561 H CA 0.051 56.010 56.048 -0.149 0.000 1.198 561 H CB 1.130 30.814 29.762 -0.130 0.000 1.490 561 H HN 0.308 nan 8.280 nan 0.000 0.504 562 S N 3.036 118.393 115.700 -0.573 0.000 2.640 562 S HA 0.328 4.787 4.470 -0.018 0.000 0.262 562 S C 0.928 175.158 174.600 -0.617 0.000 1.232 562 S CA -0.302 57.608 58.200 -0.483 0.000 0.988 562 S CB 0.734 63.733 63.200 -0.336 0.000 1.034 562 S HN 0.717 nan 8.310 nan 0.000 0.569 563 G N -1.673 106.915 108.800 -0.353 0.000 2.684 563 G HA2 0.472 4.421 3.960 -0.018 0.000 0.255 563 G HA3 0.472 4.421 3.960 -0.018 0.000 0.255 563 G C 0.857 175.595 174.900 -0.270 0.000 1.219 563 G CA -0.280 44.661 45.100 -0.265 0.000 0.901 563 G HN 1.913 nan 8.290 nan 0.000 0.548 564 G N -1.817 106.881 108.800 -0.170 0.000 2.624 564 G HA2 0.342 4.291 3.960 -0.018 0.000 0.190 564 G HA3 0.342 4.291 3.960 -0.018 0.000 0.190 564 G C 0.385 175.249 174.900 -0.060 0.000 1.008 564 G CA 0.726 45.764 45.100 -0.103 0.000 0.731 564 G HN 1.778 nan 8.290 nan 0.000 0.478 565 A N -0.398 122.397 122.820 -0.043 0.000 2.468 565 A HA 1.085 5.394 4.320 -0.018 0.000 0.270 565 A C 1.354 178.753 177.584 -0.308 0.000 1.217 565 A CA 0.937 52.927 52.037 -0.078 0.000 0.908 565 A CB 0.679 19.739 19.000 0.100 0.000 1.423 565 A HN 2.288 nan 8.150 nan 0.000 0.459 566 G N -1.763 106.714 108.800 -0.538 0.000 2.642 566 G HA2 -0.123 3.826 3.960 -0.018 0.000 0.231 566 G HA3 -0.123 3.826 3.960 -0.018 0.000 0.231 566 G C 0.716 174.704 174.900 -1.519 0.000 1.338 566 G CA 0.070 44.626 45.100 -0.906 0.000 0.883 566 G HN 1.255 nan 8.290 nan 0.000 0.570 567 L N 1.028 121.542 121.223 -1.183 0.000 2.021 567 L HA -0.137 4.192 4.340 -0.018 0.000 0.215 567 L C 0.341 176.852 176.870 -0.597 0.000 1.074 567 L CA 2.792 57.012 54.840 -1.032 0.000 0.760 567 L CB -1.199 40.012 42.059 -1.414 0.000 0.889 567 L HN 0.467 nan 8.230 nan 0.000 0.433 568 P HA -0.167 nan 4.420 nan 0.000 0.216 568 P C 1.772 178.997 177.300 -0.124 0.000 1.150 568 P CA 1.855 64.889 63.100 -0.110 0.000 0.837 568 P CB -0.023 31.632 31.700 -0.076 0.000 0.786 569 S N -2.444 113.096 115.700 -0.267 0.000 2.395 569 S HA -0.152 4.307 4.470 -0.018 0.000 0.225 569 S C 1.845 176.428 174.600 -0.028 0.000 1.027 569 S CA 0.761 58.869 58.200 -0.153 0.000 0.965 569 S CB -1.584 61.514 63.200 -0.171 0.000 0.812 569 S HN 0.013 nan 8.310 nan 0.000 0.482 570 Y N 2.324 122.565 120.300 -0.099 0.000 2.114 570 Y HA 0.098 4.637 4.550 -0.018 0.000 0.284 570 Y C 2.546 178.428 175.900 -0.030 0.000 1.143 570 Y CA -0.414 57.633 58.100 -0.088 0.000 1.135 570 Y CB -1.093 37.269 38.460 -0.163 0.000 0.980 570 Y HN 0.196 nan 8.280 nan 0.000 0.499 571 I N 0.230 120.888 120.570 0.147 0.000 2.335 571 I HA -0.284 3.875 4.170 -0.018 0.000 0.251 571 I C 2.467 178.643 176.117 0.098 0.000 1.129 571 I CA 1.427 62.812 61.300 0.142 0.000 1.402 571 I CB -1.677 36.442 38.000 0.198 0.000 1.069 571 I HN 0.165 nan 8.210 nan 0.000 0.424 572 A N 0.364 123.229 122.820 0.075 0.000 2.024 572 A HA -0.236 4.073 4.320 -0.018 0.000 0.220 572 A C 2.151 179.765 177.584 0.050 0.000 1.164 572 A CA 1.306 53.374 52.037 0.052 0.000 0.643 572 A CB -0.624 18.396 19.000 0.034 0.000 0.806 572 A HN 0.561 nan 8.150 nan 0.000 0.451 573 Q N -1.313 118.524 119.800 0.061 0.000 2.364 573 Q HA -0.095 4.234 4.340 -0.018 0.000 0.207 573 Q C 0.149 176.177 176.000 0.046 0.000 0.970 573 Q CA 0.492 56.324 55.803 0.049 0.000 0.888 573 Q CB -0.140 28.627 28.738 0.049 0.000 0.951 573 Q HN 0.627 nan 8.270 nan 0.000 0.469 574 D N 0.899 121.332 120.400 0.055 0.000 2.686 574 D HA -0.179 4.450 4.640 -0.018 0.000 0.235 574 D C -0.925 175.404 176.300 0.049 0.000 1.160 574 D CA 0.584 54.615 54.000 0.052 0.000 0.645 574 D CB -0.512 40.312 40.800 0.041 0.000 1.039 574 D HN 0.219 nan 8.370 nan 0.000 0.423 575 R N 0.476 121.009 120.500 0.055 0.000 2.615 575 R HA 0.301 4.630 4.340 -0.018 0.000 0.270 575 R C 0.248 176.582 176.300 0.056 0.000 1.081 575 R CA -0.600 55.530 56.100 0.050 0.000 1.154 575 R CB 0.427 30.756 30.300 0.048 0.000 1.063 575 R HN 0.171 nan 8.270 nan 0.000 0.519 576 D N 2.195 122.626 120.400 0.050 0.000 2.417 576 D HA 0.017 4.646 4.640 -0.018 0.000 0.250 576 D C 0.469 176.808 176.300 0.065 0.000 1.166 576 D CA 0.020 54.051 54.000 0.053 0.000 0.881 576 D CB 0.563 41.390 40.800 0.045 0.000 1.164 576 D HN 0.556 nan 8.370 nan 0.000 0.467 577 I N -0.136 120.477 120.570 0.072 0.000 4.102 577 I HA 0.333 4.492 4.170 -0.018 0.000 0.325 577 I C 0.110 176.276 176.117 0.081 0.000 1.471 577 I CA -0.527 60.824 61.300 0.085 0.000 1.133 577 I CB 0.508 38.568 38.000 0.100 0.000 1.184 577 I HN 0.056 nan 8.210 nan 0.000 0.451 578 D N 2.974 123.415 120.400 0.069 0.000 2.468 578 D HA 0.370 4.999 4.640 -0.018 0.000 0.218 578 D C 1.047 177.384 176.300 0.062 0.000 1.155 578 D CA 0.470 54.508 54.000 0.064 0.000 0.924 578 D CB 0.465 41.297 40.800 0.055 0.000 1.029 578 D HN 0.556 nan 8.370 nan 0.000 0.515 579 G N 3.224 112.065 108.800 0.069 0.000 2.370 579 G HA2 -0.174 3.775 3.960 -0.018 0.000 0.268 579 G HA3 -0.174 3.775 3.960 -0.018 0.000 0.268 579 G C -0.138 174.805 174.900 0.072 0.000 1.122 579 G CA -0.311 44.829 45.100 0.067 0.000 0.963 579 G HN 0.476 nan 8.290 nan 0.000 0.500 580 Q N -0.801 119.049 119.800 0.085 0.000 2.687 580 Q HA 0.374 4.703 4.340 -0.018 0.000 0.305 580 Q C -1.057 175.008 176.000 0.108 0.000 1.006 580 Q CA -0.919 54.936 55.803 0.086 0.000 0.763 580 Q CB 0.947 29.730 28.738 0.075 0.000 1.506 580 Q HN 0.232 nan 8.270 nan 0.000 0.459 581 D N 1.949 122.403 120.400 0.090 0.000 2.359 581 D HA 0.289 4.918 4.640 -0.018 0.000 0.250 581 D C -0.351 176.021 176.300 0.120 0.000 1.264 581 D CA 0.080 54.126 54.000 0.077 0.000 0.911 581 D CB -0.366 40.375 40.800 -0.098 0.000 1.056 581 D HN 0.425 nan 8.370 nan 0.000 0.499 582 I N -0.013 120.642 120.570 0.140 0.000 2.910 582 I HA 0.687 4.846 4.170 -0.018 0.000 0.310 582 I C -0.914 175.277 176.117 0.124 0.000 1.043 582 I CA -1.088 60.298 61.300 0.144 0.000 1.053 582 I CB 2.189 40.269 38.000 0.132 0.000 1.242 582 I HN -0.104 nan 8.210 nan 0.000 0.452 583 V N 3.546 123.532 119.914 0.120 0.000 2.638 583 V HA 0.411 4.520 4.120 -0.018 0.000 0.306 583 V C -0.182 175.910 176.094 -0.003 0.000 1.052 583 V CA -0.668 61.622 62.300 -0.017 0.000 0.885 583 V CB 1.820 33.579 31.823 -0.107 0.000 0.999 583 V HN 0.567 nan 8.190 nan 0.000 0.424 584 V N 3.666 123.514 119.914 -0.111 0.000 2.427 584 V HA 0.459 4.568 4.120 -0.018 0.000 0.286 584 V C -1.101 174.937 176.094 -0.094 0.000 1.034 584 V CA -0.445 61.858 62.300 0.006 0.000 0.893 584 V CB 1.558 33.375 31.823 -0.010 0.000 0.982 584 V HN 0.915 nan 8.190 nan 0.000 0.452 585 W N 4.057 125.407 121.300 0.083 0.000 2.336 585 W HA 0.464 5.113 4.660 -0.018 0.000 0.315 585 W C 0.053 176.674 176.519 0.169 0.000 1.016 585 W CA -0.512 56.888 57.345 0.091 0.000 1.318 585 W CB 0.419 29.907 29.460 0.048 0.000 1.247 585 W HN 0.577 nan 8.180 nan 0.000 0.414 586 H N 2.308 121.463 119.070 0.141 0.000 2.519 586 H HA 0.413 4.958 4.556 -0.018 0.000 0.316 586 H C -0.528 174.972 175.328 0.287 0.000 1.065 586 H CA -0.258 55.833 56.048 0.072 0.000 1.264 586 H CB 1.157 30.758 29.762 -0.268 0.000 1.413 586 H HN 0.162 nan 8.280 nan 0.000 0.465 587 T N 6.841 121.414 114.554 0.031 0.000 2.806 587 T HA 0.331 4.670 4.350 -0.018 0.000 0.290 587 T C -0.901 173.709 174.700 -0.149 0.000 0.966 587 T CA -0.311 61.818 62.100 0.048 0.000 1.060 587 T CB -0.013 68.974 68.868 0.197 0.000 0.927 587 T HN 0.485 nan 8.240 nan 0.000 0.485 588 F N -0.177 119.661 119.950 -0.188 0.000 2.665 588 F HA 0.843 5.359 4.527 -0.018 0.000 0.308 588 F C -0.275 175.613 175.800 0.146 0.000 1.112 588 F CA -1.105 56.842 58.000 -0.088 0.000 0.972 588 F CB 1.035 39.936 39.000 -0.165 0.000 1.295 588 F HN 0.833 nan 8.300 nan 0.000 0.440 589 G N 1.469 110.369 108.800 0.167 0.000 2.488 589 G HA2 0.563 4.512 3.960 -0.018 0.000 0.301 589 G HA3 0.563 4.512 3.960 -0.018 0.000 0.301 589 G C -2.539 172.448 174.900 0.144 0.000 1.339 589 G CA -1.093 44.092 45.100 0.142 0.000 0.803 589 G HN 0.839 nan 8.290 nan 0.000 0.482 590 L N 0.148 121.441 121.223 0.115 0.000 2.334 590 L HA 0.659 4.988 4.340 -0.018 0.000 0.273 590 L C -0.154 176.687 176.870 -0.050 0.000 1.013 590 L CA -0.777 54.098 54.840 0.057 0.000 0.816 590 L CB 2.498 44.597 42.059 0.067 0.000 1.278 590 L HN 0.464 nan 8.230 nan 0.000 0.431 591 T N 0.299 114.779 114.554 -0.124 0.000 2.772 591 T HA 0.258 4.597 4.350 -0.018 0.000 0.288 591 T C -0.748 173.702 174.700 -0.417 0.000 0.994 591 T CA -0.282 61.629 62.100 -0.316 0.000 0.951 591 T CB 0.239 68.941 68.868 -0.277 0.000 0.933 591 T HN 0.424 nan 8.240 nan 0.000 0.447 592 H N 3.024 121.655 119.070 -0.732 0.000 2.541 592 H HA 0.408 4.954 4.556 -0.018 0.000 0.316 592 H C -1.152 173.681 175.328 -0.824 0.000 1.043 592 H CA -1.070 54.574 56.048 -0.672 0.000 1.232 592 H CB 0.384 29.757 29.762 -0.648 0.000 1.406 592 H HN 0.434 nan 8.280 nan 0.000 0.469 593 F N 6.551 126.419 119.950 -0.137 0.000 2.307 593 F HA 0.279 4.795 4.527 -0.018 0.000 0.369 593 F C -2.067 173.692 175.800 -0.069 0.000 1.076 593 F CA -2.598 55.173 58.000 -0.382 0.000 1.149 593 F CB 0.817 39.488 39.000 -0.548 0.000 1.410 593 F HN 0.512 nan 8.300 nan 0.000 0.481 594 P HA 0.032 nan 4.420 nan 0.000 0.263 594 P C -0.306 177.091 177.300 0.161 0.000 1.175 594 P CA 0.308 63.398 63.100 -0.017 0.000 0.761 594 P CB 0.593 32.251 31.700 -0.068 0.000 0.794 595 R N 1.705 122.323 120.500 0.196 0.000 2.758 595 R HA 0.349 4.678 4.340 -0.018 0.000 0.265 595 R C 1.150 177.532 176.300 0.137 0.000 1.016 595 R CA -1.010 55.178 56.100 0.146 0.000 1.040 595 R CB 0.454 30.837 30.300 0.138 0.000 1.152 595 R HN 0.104 nan 8.270 nan 0.000 0.503 596 V N 1.301 121.275 119.914 0.099 0.000 2.490 596 V HA -0.209 3.900 4.120 -0.018 0.000 0.250 596 V C 1.428 177.618 176.094 0.160 0.000 1.061 596 V CA 1.824 64.191 62.300 0.112 0.000 1.064 596 V CB -0.551 31.313 31.823 0.068 0.000 0.670 596 V HN 0.699 nan 8.190 nan 0.000 0.461 597 E N 0.082 120.357 120.200 0.125 0.000 2.333 597 E HA -0.157 4.182 4.350 -0.018 0.000 0.198 597 E C 1.583 178.259 176.600 0.127 0.000 1.007 597 E CA 0.836 57.300 56.400 0.108 0.000 0.845 597 E CB -0.235 29.510 29.700 0.075 0.000 0.766 597 E HN 0.588 nan 8.360 nan 0.000 0.507 598 D N -0.974 119.537 120.400 0.185 0.000 2.349 598 D HA -0.062 4.567 4.640 -0.018 0.000 0.224 598 D C -0.207 176.247 176.300 0.257 0.000 1.029 598 D CA 0.270 54.395 54.000 0.207 0.000 0.879 598 D CB 0.117 41.091 40.800 0.290 0.000 0.906 598 D HN 0.222 nan 8.370 nan 0.000 0.528 599 W N 2.250 123.577 121.300 0.045 0.000 2.606 599 W HA 0.215 4.863 4.660 -0.018 0.000 0.332 599 W C -1.920 174.628 176.519 0.048 0.000 1.052 599 W CA -1.984 55.388 57.345 0.044 0.000 1.223 599 W CB 2.152 31.637 29.460 0.041 0.000 1.383 599 W HN -0.210 nan 8.180 nan 0.000 0.524 600 P HA 0.100 nan 4.420 nan 0.000 0.240 600 P C -0.027 176.841 177.300 -0.721 0.000 1.190 600 P CA 0.797 63.013 63.100 -1.474 0.000 0.781 600 P CB 1.428 32.497 31.700 -1.052 0.000 0.931 601 I N -0.431 119.899 120.570 -0.401 0.000 2.569 601 I HA 0.323 4.482 4.170 -0.018 0.000 0.290 601 I C -0.684 175.305 176.117 -0.213 0.000 1.088 601 I CA -1.598 59.458 61.300 -0.407 0.000 1.047 601 I CB 2.580 40.085 38.000 -0.824 0.000 1.237 601 I HN -0.282 nan 8.210 nan 0.000 0.421 602 M N 10.229 129.750 119.600 -0.132 0.000 2.188 602 M HA 0.399 4.868 4.480 -0.018 0.000 0.354 602 M C -2.348 173.914 176.300 -0.064 0.000 1.342 602 M CA -1.399 53.878 55.300 -0.039 0.000 1.117 602 M CB 0.762 33.379 32.600 0.028 0.000 1.670 602 M HN 0.299 nan 8.290 nan 0.000 0.466 603 P HA 0.083 nan 4.420 nan 0.000 0.275 603 P C -0.733 176.544 177.300 -0.038 0.000 1.228 603 P CA -0.366 62.708 63.100 -0.042 0.000 0.786 603 P CB 0.656 32.341 31.700 -0.026 0.000 0.927 604 V N 3.125 123.019 119.914 -0.033 0.000 2.720 604 V HA -0.054 4.055 4.120 -0.018 0.000 0.307 604 V C 0.817 176.880 176.094 -0.052 0.000 1.071 604 V CA 1.150 63.433 62.300 -0.029 0.000 1.199 604 V CB -0.288 31.532 31.823 -0.005 0.000 0.900 604 V HN 0.652 nan 8.190 nan 0.000 0.494 605 D N 2.236 122.591 120.400 -0.075 0.000 2.433 605 D HA 0.707 5.336 4.640 -0.018 0.000 0.236 605 D C -0.265 175.983 176.300 -0.087 0.000 1.026 605 D CA -0.184 53.764 54.000 -0.088 0.000 0.884 605 D CB 2.338 43.056 40.800 -0.137 0.000 1.384 605 D HN 0.742 nan 8.370 nan 0.000 0.477 606 T N -1.416 113.097 114.554 -0.067 0.000 2.901 606 T HA 0.781 5.121 4.350 -0.018 0.000 0.293 606 T C -0.934 173.767 174.700 0.002 0.000 1.084 606 T CA -0.811 61.244 62.100 -0.074 0.000 1.008 606 T CB 1.539 70.350 68.868 -0.094 0.000 1.170 606 T HN 0.263 nan 8.240 nan 0.000 0.509 607 V N -0.418 119.492 119.914 -0.007 0.000 3.225 607 V HA 0.855 4.964 4.120 -0.018 0.000 0.293 607 V C -0.237 175.847 176.094 -0.017 0.000 1.405 607 V CA 0.557 62.940 62.300 0.138 0.000 1.038 607 V CB 1.660 33.613 31.823 0.216 0.000 1.123 607 V HN 1.716 nan 8.190 nan 0.000 0.447 608 G N 2.794 111.446 108.800 -0.246 0.000 2.393 608 G HA2 0.704 4.653 3.960 -0.018 0.000 0.264 608 G HA3 0.704 4.653 3.960 -0.018 0.000 0.264 608 G C -1.422 172.931 174.900 -0.911 0.000 1.221 608 G CA 0.243 45.011 45.100 -0.554 0.000 0.912 608 G HN 1.965 nan 8.290 nan 0.000 0.483 609 F N -0.968 118.601 119.950 -0.635 0.000 2.858 609 F HA 0.855 5.370 4.527 -0.019 0.000 0.319 609 F C -1.108 174.658 175.800 -0.057 0.000 1.166 609 F CA -0.933 56.867 58.000 -0.333 0.000 0.899 609 F CB 1.465 40.290 39.000 -0.292 0.000 1.332 609 F HN 0.839 nan 8.300 nan 0.000 0.461 610 K N 0.859 121.406 120.400 0.245 0.000 2.555 610 K HA 0.830 5.139 4.320 -0.018 0.000 0.279 610 K C -2.482 174.348 176.600 0.383 0.000 0.986 610 K CA -1.049 55.361 56.287 0.206 0.000 0.880 610 K CB 2.615 35.200 32.500 0.143 0.000 1.474 610 K HN 0.732 nan 8.250 nan 0.000 0.433 611 L N 1.330 122.778 121.223 0.375 0.000 2.385 611 L HA 0.569 4.898 4.340 -0.018 0.000 0.273 611 L C -0.544 176.595 176.870 0.448 0.000 0.990 611 L CA -0.582 54.517 54.840 0.430 0.000 0.821 611 L CB 2.070 44.401 42.059 0.453 0.000 1.279 611 L HN 0.553 nan 8.230 nan 0.000 0.412 612 R N 3.093 123.782 120.500 0.315 0.000 2.711 612 R HA 0.552 4.881 4.340 -0.018 0.000 0.284 612 R C -2.579 173.485 176.300 -0.393 0.000 0.968 612 R CA -1.909 54.243 56.100 0.086 0.000 0.924 612 R CB 1.975 32.346 30.300 0.120 0.000 1.162 612 R HN 0.294 nan 8.270 nan 0.000 0.465 613 P HA -0.027 nan 4.420 nan 0.000 0.266 613 P C -0.703 176.380 177.300 -0.362 0.000 1.195 613 P CA 0.171 62.632 63.100 -1.065 0.000 0.768 613 P CB 0.744 32.147 31.700 -0.495 0.000 0.838 614 E N 1.845 121.897 120.200 -0.247 0.000 2.675 614 E HA 0.437 4.776 4.350 -0.018 0.000 0.236 614 E C 0.692 177.291 176.600 -0.001 0.000 1.059 614 E CA -0.387 55.976 56.400 -0.062 0.000 0.775 614 E CB -0.539 29.143 29.700 -0.029 0.000 1.356 614 E HN 0.677 nan 8.360 nan 0.000 0.403 615 G N 3.454 112.265 108.800 0.019 0.000 2.153 615 G HA2 -0.368 3.581 3.960 -0.018 0.000 0.252 615 G HA3 -0.368 3.581 3.960 -0.018 0.000 0.252 615 G C 0.552 175.459 174.900 0.011 0.000 0.994 615 G CA 0.437 45.551 45.100 0.023 0.000 0.698 615 G HN 0.542 nan 8.290 nan 0.000 0.521 616 F N 0.099 119.937 119.950 -0.187 0.000 2.163 616 F HA 0.448 4.964 4.527 -0.018 0.000 0.297 616 F C 1.315 176.841 175.800 -0.457 0.000 1.094 616 F CA 0.651 58.442 58.000 -0.348 0.000 1.290 616 F CB 0.024 38.707 39.000 -0.528 0.000 1.017 616 F HN 0.126 nan 8.300 nan 0.000 0.483 617 F N 0.240 120.204 119.950 0.024 0.000 2.411 617 F HA 0.233 4.748 4.527 -0.019 0.000 0.324 617 F C 1.355 177.115 175.800 -0.066 0.000 1.086 617 F CA -0.818 57.145 58.000 -0.061 0.000 1.028 617 F CB 0.362 39.340 39.000 -0.036 0.000 1.284 617 F HN -0.297 nan 8.300 nan 0.000 0.501 618 D N 0.091 120.578 120.400 0.145 0.000 2.349 618 D HA 0.067 4.696 4.640 -0.018 0.000 0.215 618 D C 0.331 176.664 176.300 0.055 0.000 1.016 618 D CA 0.599 54.634 54.000 0.058 0.000 0.870 618 D CB 0.241 41.059 40.800 0.029 0.000 0.917 618 D HN 0.519 nan 8.370 nan 0.000 0.524 619 R N -2.267 118.281 120.500 0.079 0.000 2.888 619 R HA 0.206 4.535 4.340 -0.018 0.000 0.277 619 R C -0.756 175.547 176.300 0.004 0.000 0.981 619 R CA -0.757 55.361 56.100 0.030 0.000 0.841 619 R CB 0.318 30.621 30.300 0.006 0.000 1.405 619 R HN -0.170 nan 8.270 nan 0.000 0.472 620 S N 0.974 116.654 115.700 -0.034 0.000 2.563 620 S HA 0.109 4.568 4.470 -0.018 0.000 0.294 620 S C -1.305 173.195 174.600 -0.167 0.000 1.279 620 S CA -0.769 57.380 58.200 -0.084 0.000 1.069 620 S CB 0.470 63.638 63.200 -0.052 0.000 0.828 620 S HN 0.513 nan 8.310 nan 0.000 0.497 621 P HA 0.121 nan 4.420 nan 0.000 0.257 621 P C 0.438 177.626 177.300 -0.186 0.000 1.281 621 P CA 0.187 63.004 63.100 -0.472 0.000 0.826 621 P CB -0.163 30.771 31.700 -1.278 0.000 1.237 622 V N -3.919 115.938 119.914 -0.095 0.000 3.006 622 V HA 0.252 4.361 4.120 -0.018 0.000 0.357 622 V C 1.479 177.595 176.094 0.036 0.000 1.377 622 V CA -0.133 62.162 62.300 -0.007 0.000 1.198 622 V CB -0.700 31.144 31.823 0.035 0.000 1.216 622 V HN -0.130 nan 8.190 nan 0.000 0.520 623 L N 1.127 122.361 121.223 0.019 0.000 2.395 623 L HA 0.049 4.378 4.340 -0.018 0.000 0.218 623 L C 2.023 178.933 176.870 0.066 0.000 1.130 623 L CA 1.397 56.270 54.840 0.055 0.000 0.826 623 L CB -0.224 41.845 42.059 0.016 0.000 0.941 623 L HN 0.572 nan 8.230 nan 0.000 0.451 624 D N -0.605 119.815 120.400 0.032 0.000 2.325 624 D HA 0.004 4.633 4.640 -0.018 0.000 0.225 624 D C 0.533 176.841 176.300 0.013 0.000 1.096 624 D CA -0.005 54.008 54.000 0.021 0.000 0.844 624 D CB -0.150 40.651 40.800 0.001 0.000 0.925 624 D HN -0.015 nan 8.370 nan 0.000 0.513 625 V N 3.118 123.048 119.914 0.026 0.000 2.555 625 V HA 0.209 4.318 4.120 -0.018 0.000 0.286 625 V C -1.600 174.494 176.094 -0.000 0.000 1.044 625 V CA -1.138 61.166 62.300 0.007 0.000 1.026 625 V CB 1.086 32.921 31.823 0.019 0.000 0.981 625 V HN 0.171 nan 8.190 nan 0.000 0.480 626 P HA 0.226 nan 4.420 nan 0.000 0.274 626 P C 0.367 177.634 177.300 -0.055 0.000 1.246 626 P CA -0.306 62.779 63.100 -0.025 0.000 0.795 626 P CB 1.349 33.037 31.700 -0.019 0.000 1.006 627 A N 1.638 124.417 122.820 -0.068 0.000 1.929 627 A HA -0.106 4.203 4.320 -0.018 0.000 0.216 627 A C 0.947 178.493 177.584 -0.063 0.000 1.176 627 A CA 0.945 52.923 52.037 -0.098 0.000 0.628 627 A CB -1.582 17.363 19.000 -0.092 0.000 0.816 627 A HN 0.792 nan 8.150 nan 0.000 0.444 628 N N 0.000 118.677 118.700 -0.038 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.018 0.000 0.220 628 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 628 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667