REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1ivw_1_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 PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.582 177.584 -0.004 0.000 1.274 9 A CA 0.000 52.038 52.037 0.001 0.000 0.836 9 A CB 0.000 19.006 19.000 0.010 0.000 0.831 10 S N 2.126 117.831 115.700 0.009 0.000 2.549 10 S HA 0.403 4.862 4.470 -0.019 0.000 0.283 10 S C -1.212 173.375 174.600 -0.021 0.000 1.320 10 S CA -0.416 57.802 58.200 0.030 0.000 1.058 10 S CB 0.856 64.105 63.200 0.082 0.000 0.882 10 S HN 0.394 nan 8.310 nan 0.000 0.498 11 P HA 0.031 nan 4.420 nan 0.000 0.239 11 P C 0.269 177.232 177.300 -0.562 0.000 1.184 11 P CA 0.727 63.633 63.100 -0.324 0.000 0.760 11 P CB -0.112 31.337 31.700 -0.419 0.000 0.884 12 F N 0.376 120.250 119.950 -0.126 0.000 2.664 12 F HA 0.205 4.721 4.527 -0.018 0.000 0.303 12 F C 1.610 177.338 175.800 -0.119 0.000 1.092 12 F CA -0.758 57.118 58.000 -0.206 0.000 1.305 12 F CB -0.170 38.704 39.000 -0.211 0.000 1.054 12 F HN -0.172 nan 8.300 nan 0.000 0.565 13 R N 1.158 121.677 120.500 0.033 0.000 2.811 13 R HA 0.161 4.490 4.340 -0.019 0.000 0.265 13 R C -0.246 176.071 176.300 0.028 0.000 1.026 13 R CA -0.315 55.815 56.100 0.049 0.000 1.142 13 R CB 0.385 30.706 30.300 0.034 0.000 1.027 13 R HN 0.172 nan 8.270 nan 0.000 0.465 14 L N 1.816 123.072 121.223 0.056 0.000 2.461 14 L HA 0.181 4.510 4.340 -0.019 0.000 0.272 14 L C 0.754 177.660 176.870 0.061 0.000 1.197 14 L CA -0.240 54.636 54.840 0.060 0.000 0.836 14 L CB 0.672 42.771 42.059 0.067 0.000 1.105 14 L HN 0.852 nan 8.230 nan 0.000 0.477 15 A N 2.304 125.172 122.820 0.080 0.000 2.511 15 A HA 0.348 4.657 4.320 -0.019 0.000 0.242 15 A C 0.380 178.042 177.584 0.129 0.000 1.069 15 A CA -0.135 52.006 52.037 0.173 0.000 0.763 15 A CB 0.059 19.224 19.000 0.275 0.000 1.001 15 A HN 0.761 nan 8.150 nan 0.000 0.498 16 S N 1.501 117.272 115.700 0.119 0.000 2.722 16 S HA 0.635 5.093 4.470 -0.019 0.000 0.292 16 S C 1.212 175.832 174.600 0.034 0.000 1.135 16 S CA -0.195 58.041 58.200 0.060 0.000 1.003 16 S CB 1.480 64.706 63.200 0.043 0.000 1.067 16 S HN 1.589 nan 8.310 nan 0.000 0.546 17 A N 1.408 124.236 122.820 0.013 0.000 1.908 17 A HA 0.104 4.413 4.320 -0.019 0.000 0.218 17 A C 2.154 179.721 177.584 -0.028 0.000 1.181 17 A CA 1.921 53.954 52.037 -0.006 0.000 0.627 17 A CB -1.873 17.124 19.000 -0.004 0.000 0.818 17 A HN 1.187 nan 8.150 nan 0.000 0.445 18 G N -0.490 108.297 108.800 -0.022 0.000 2.446 18 G HA2 -0.241 3.707 3.960 -0.019 0.000 0.217 18 G HA3 -0.241 3.707 3.960 -0.019 0.000 0.217 18 G C 1.430 176.286 174.900 -0.075 0.000 1.168 18 G CA 1.024 46.102 45.100 -0.037 0.000 0.771 18 G HN 0.668 nan 8.290 nan 0.000 0.551 19 E N 0.020 120.175 120.200 -0.074 0.000 2.077 19 E HA -0.082 4.257 4.350 -0.019 0.000 0.193 19 E C 2.538 178.917 176.600 -0.368 0.000 0.989 19 E CA 0.670 56.963 56.400 -0.178 0.000 0.800 19 E CB -0.160 29.515 29.700 -0.041 0.000 0.746 19 E HN 0.499 nan 8.360 nan 0.000 0.452 20 I N 0.874 121.292 120.570 -0.254 0.000 2.179 20 I HA -0.263 3.896 4.170 -0.019 0.000 0.242 20 I C 2.437 178.435 176.117 -0.198 0.000 1.088 20 I CA 0.855 62.000 61.300 -0.258 0.000 1.357 20 I CB -0.217 37.720 38.000 -0.106 0.000 1.051 20 I HN -0.006 nan 8.210 nan 0.000 0.409 21 S N 0.119 115.742 115.700 -0.127 0.000 2.382 21 S HA -0.235 4.224 4.470 -0.019 0.000 0.228 21 S C 1.904 176.440 174.600 -0.108 0.000 1.027 21 S CA 1.540 59.686 58.200 -0.089 0.000 0.991 21 S CB -0.239 62.926 63.200 -0.058 0.000 0.823 21 S HN 0.392 nan 8.310 nan 0.000 0.469 22 E N 1.141 121.256 120.200 -0.141 0.000 2.106 22 E HA -0.066 4.273 4.350 -0.019 0.000 0.192 22 E C 1.869 178.369 176.600 -0.166 0.000 0.984 22 E CA 0.822 57.141 56.400 -0.135 0.000 0.806 22 E CB -0.315 29.306 29.700 -0.132 0.000 0.750 22 E HN 0.233 nan 8.360 nan 0.000 0.458 23 V N 0.939 120.692 119.914 -0.269 0.000 2.343 23 V HA -0.279 3.830 4.120 -0.019 0.000 0.247 23 V C 2.561 178.571 176.094 -0.139 0.000 1.051 23 V CA 2.234 64.377 62.300 -0.261 0.000 1.036 23 V CB -0.586 30.980 31.823 -0.429 0.000 0.654 23 V HN 0.425 nan 8.190 nan 0.000 0.451 24 Q N 0.042 119.770 119.800 -0.120 0.000 2.050 24 Q HA -0.176 4.153 4.340 -0.019 0.000 0.202 24 Q C 2.264 178.238 176.000 -0.044 0.000 0.980 24 Q CA 2.097 57.864 55.803 -0.060 0.000 0.840 24 Q CB -0.500 28.213 28.738 -0.041 0.000 0.898 24 Q HN 0.640 nan 8.270 nan 0.000 0.424 25 G N 1.060 109.827 108.800 -0.054 0.000 2.440 25 G HA2 -0.242 3.707 3.960 -0.019 0.000 0.218 25 G HA3 -0.242 3.707 3.960 -0.019 0.000 0.218 25 G C 1.404 176.283 174.900 -0.035 0.000 1.154 25 G CA 0.986 46.062 45.100 -0.040 0.000 0.767 25 G HN 0.383 nan 8.290 nan 0.000 0.552 26 I N 0.268 120.811 120.570 -0.046 0.000 2.252 26 I HA -0.102 4.057 4.170 -0.019 0.000 0.245 26 I C 2.670 178.775 176.117 -0.020 0.000 1.102 26 I CA 0.607 61.886 61.300 -0.034 0.000 1.385 26 I CB -0.176 37.799 38.000 -0.042 0.000 1.064 26 I HN 0.125 nan 8.210 nan 0.000 0.414 27 L N 0.018 121.229 121.223 -0.021 0.000 2.056 27 L HA -0.163 4.166 4.340 -0.019 0.000 0.207 27 L C 2.769 179.639 176.870 -0.001 0.000 1.078 27 L CA 1.292 56.129 54.840 -0.004 0.000 0.749 27 L CB -0.547 41.512 42.059 0.000 0.000 0.901 27 L HN 0.131 nan 8.230 nan 0.000 0.433 28 R N -0.503 119.994 120.500 -0.005 0.000 2.070 28 R HA -0.143 4.186 4.340 -0.019 0.000 0.233 28 R C 2.312 178.609 176.300 -0.005 0.000 1.137 28 R CA 2.033 58.132 56.100 -0.002 0.000 0.945 28 R CB -0.705 29.593 30.300 -0.005 0.000 0.845 28 R HN 0.270 nan 8.270 nan 0.000 0.430 29 T N 0.655 115.204 114.554 -0.009 0.000 2.778 29 T HA -0.171 4.168 4.350 -0.019 0.000 0.269 29 T C 1.673 176.369 174.700 -0.005 0.000 1.050 29 T CA 1.483 63.578 62.100 -0.008 0.000 1.137 29 T CB -0.168 68.693 68.868 -0.011 0.000 0.860 29 T HN 0.394 nan 8.240 nan 0.000 0.468 30 A N 0.179 122.997 122.820 -0.003 0.000 2.208 30 A HA 0.488 4.797 4.320 -0.019 0.000 0.209 30 A C 1.917 179.501 177.584 0.001 0.000 1.161 30 A CA 0.883 52.920 52.037 0.000 0.000 0.782 30 A CB -0.702 18.301 19.000 0.004 0.000 0.816 30 A HN 0.754 nan 8.150 nan 0.000 0.477 31 G N -1.326 107.473 108.800 -0.000 0.000 2.147 31 G HA2 -0.236 3.713 3.960 -0.019 0.000 0.244 31 G HA3 -0.236 3.713 3.960 -0.019 0.000 0.244 31 G C 0.552 175.453 174.900 0.001 0.000 1.005 31 G CA 0.501 45.600 45.100 -0.001 0.000 0.713 31 G HN 0.492 nan 8.290 nan 0.000 0.515 32 L N -1.360 119.866 121.223 0.006 0.000 2.616 32 L HA 0.475 4.804 4.340 -0.019 0.000 0.229 32 L C 1.126 178.005 176.870 0.015 0.000 1.110 32 L CA 0.178 55.024 54.840 0.011 0.000 0.884 32 L CB 0.557 42.627 42.059 0.019 0.000 1.115 32 L HN 0.198 nan 8.230 nan 0.000 0.481 33 L N 0.502 121.733 121.223 0.015 0.000 2.678 33 L HA 0.494 4.822 4.340 -0.019 0.000 0.250 33 L C 0.559 177.445 176.870 0.026 0.000 1.455 33 L CA -0.187 54.667 54.840 0.025 0.000 0.823 33 L CB 0.532 42.608 42.059 0.029 0.000 1.107 33 L HN -0.067 nan 8.230 nan 0.000 0.514 34 G N 0.541 109.351 108.800 0.017 0.000 2.588 34 G HA2 0.310 4.258 3.960 -0.019 0.000 0.278 34 G HA3 0.310 4.258 3.960 -0.019 0.000 0.278 34 G C -1.521 173.397 174.900 0.031 0.000 1.307 34 G CA -0.523 44.586 45.100 0.015 0.000 1.016 34 G HN 0.372 nan 8.290 nan 0.000 0.503 35 P HA -0.103 nan 4.420 nan 0.000 0.220 35 P C 0.799 178.135 177.300 0.060 0.000 1.144 35 P CA 1.252 64.374 63.100 0.037 0.000 0.800 35 P CB 0.320 32.024 31.700 0.006 0.000 0.772 36 E N -0.810 119.407 120.200 0.029 0.000 2.474 36 E HA 0.064 4.403 4.350 -0.019 0.000 0.195 36 E C 0.267 176.859 176.600 -0.012 0.000 1.039 36 E CA -0.001 56.406 56.400 0.010 0.000 0.881 36 E CB 0.224 29.908 29.700 -0.025 0.000 0.970 36 E HN 0.240 nan 8.360 nan 0.000 0.486 37 K N 1.468 121.882 120.400 0.022 0.000 2.118 37 K HA 0.372 4.681 4.320 -0.019 0.000 0.267 37 K C 0.128 176.759 176.600 0.051 0.000 0.991 37 K CA -0.421 55.872 56.287 0.010 0.000 0.916 37 K CB 1.293 33.806 32.500 0.022 0.000 1.041 37 K HN -0.115 nan 8.250 nan 0.000 0.455 38 R N 1.825 122.347 120.500 0.036 0.000 2.621 38 R HA 0.422 4.750 4.340 -0.019 0.000 0.284 38 R C -0.281 176.042 176.300 0.039 0.000 0.998 38 R CA -0.900 55.205 56.100 0.009 0.000 0.895 38 R CB 1.333 31.656 30.300 0.038 0.000 1.195 38 R HN 0.472 nan 8.270 nan 0.000 0.450 39 I N 2.799 123.356 120.570 -0.021 0.000 2.347 39 I HA 0.089 4.247 4.170 -0.019 0.000 0.294 39 I C 1.417 177.546 176.117 0.021 0.000 1.090 39 I CA 0.170 61.477 61.300 0.012 0.000 1.314 39 I CB 0.546 38.524 38.000 -0.037 0.000 1.423 39 I HN 0.705 nan 8.210 nan 0.000 0.503 40 A N 6.766 129.656 122.820 0.116 0.000 2.123 40 A HA -0.021 4.288 4.320 -0.019 0.000 0.214 40 A C 0.464 178.161 177.584 0.187 0.000 1.152 40 A CA 0.740 52.856 52.037 0.133 0.000 0.728 40 A CB 0.107 19.222 19.000 0.191 0.000 0.814 40 A HN 0.672 nan 8.150 nan 0.000 0.464 41 Y N -2.092 118.208 120.300 -0.001 0.000 2.465 41 Y HA 0.525 5.064 4.550 -0.019 0.000 0.323 41 Y C -1.925 173.864 175.900 -0.185 0.000 1.191 41 Y CA -1.170 56.830 58.100 -0.167 0.000 1.082 41 Y CB 0.946 39.137 38.460 -0.447 0.000 1.334 41 Y HN 0.143 nan 8.280 nan 0.000 0.449 42 L N 5.636 126.186 121.223 -1.122 0.000 2.505 42 L HA 0.982 5.311 4.340 -0.019 0.000 0.266 42 L C -1.230 175.131 176.870 -0.848 0.000 0.954 42 L CA -0.235 54.139 54.840 -0.777 0.000 0.852 42 L CB 1.973 43.867 42.059 -0.275 0.000 1.282 42 L HN 0.951 nan 8.230 nan 0.000 0.403 43 G N 3.075 111.509 108.800 -0.610 0.000 2.733 43 G HA2 0.464 4.413 3.960 -0.019 0.000 0.297 43 G HA3 0.464 4.413 3.960 -0.019 0.000 0.297 43 G C -1.778 172.948 174.900 -0.291 0.000 1.422 43 G CA -0.556 44.353 45.100 -0.318 0.000 0.942 43 G HN 0.501 nan 8.290 nan 0.000 0.510 44 V N 2.288 121.853 119.914 -0.582 0.000 2.715 44 V HA 0.489 4.598 4.120 -0.019 0.000 0.299 44 V C 0.341 176.160 176.094 -0.458 0.000 1.054 44 V CA -0.315 61.355 62.300 -1.050 0.000 1.077 44 V CB 0.615 31.747 31.823 -1.152 0.000 0.972 44 V HN 0.561 nan 8.190 nan 0.000 0.484 45 L N 5.084 126.079 121.223 -0.380 0.000 2.399 45 L HA 0.458 4.787 4.340 -0.019 0.000 0.266 45 L C 0.049 176.788 176.870 -0.218 0.000 1.114 45 L CA -0.732 53.994 54.840 -0.191 0.000 0.804 45 L CB 0.920 42.910 42.059 -0.115 0.000 1.146 45 L HN 0.592 nan 8.230 nan 0.000 0.451 46 D N 1.640 121.959 120.400 -0.134 0.000 2.339 46 D HA 0.243 4.872 4.640 -0.019 0.000 0.245 46 D C -2.055 174.134 176.300 -0.185 0.000 1.115 46 D CA -0.975 52.926 54.000 -0.164 0.000 0.917 46 D CB 0.643 41.461 40.800 0.029 0.000 1.192 46 D HN 0.234 nan 8.370 nan 0.000 0.428 47 P HA 0.119 nan 4.420 nan 0.000 0.266 47 P C -0.702 176.548 177.300 -0.084 0.000 1.193 47 P CA -0.083 62.877 63.100 -0.234 0.000 0.770 47 P CB 0.464 31.953 31.700 -0.351 0.000 0.836 48 A N 3.395 126.180 122.820 -0.058 0.000 2.406 48 A HA 0.160 4.469 4.320 -0.019 0.000 0.243 48 A C 0.428 177.998 177.584 -0.024 0.000 1.082 48 A CA -0.288 51.737 52.037 -0.020 0.000 0.786 48 A CB 0.063 19.053 19.000 -0.017 0.000 1.029 48 A HN 0.387 nan 8.150 nan 0.000 0.495 49 R N 0.472 120.944 120.500 -0.046 0.000 2.543 49 R HA 0.276 4.605 4.340 -0.019 0.000 0.348 49 R C 0.323 176.600 176.300 -0.038 0.000 0.981 49 R CA 0.966 57.003 56.100 -0.105 0.000 1.019 49 R CB -1.015 29.164 30.300 -0.202 0.000 0.944 49 R HN 0.985 nan 8.270 nan 0.000 0.425 50 G N -0.100 108.706 108.800 0.011 0.000 2.702 50 G HA2 0.385 4.334 3.960 -0.019 0.000 0.296 50 G HA3 0.385 4.334 3.960 -0.019 0.000 0.296 50 G C -0.095 174.847 174.900 0.070 0.000 1.463 50 G CA -0.165 44.954 45.100 0.032 0.000 0.890 50 G HN 0.361 nan 8.290 nan 0.000 0.534 51 A N -0.472 122.388 122.820 0.065 0.000 2.239 51 A HA 0.517 4.826 4.320 -0.019 0.000 0.209 51 A C 1.713 179.333 177.584 0.060 0.000 1.171 51 A CA 2.013 54.092 52.037 0.071 0.000 0.768 51 A CB -0.360 18.673 19.000 0.055 0.000 0.790 51 A HN 2.286 nan 8.150 nan 0.000 0.478 52 G N -3.063 105.767 108.800 0.050 0.000 3.914 52 G HA2 0.256 4.205 3.960 -0.019 0.000 0.187 52 G HA3 0.256 4.205 3.960 -0.019 0.000 0.187 52 G C 0.335 175.243 174.900 0.014 0.000 0.927 52 G CA 0.494 45.615 45.100 0.035 0.000 0.893 52 G HN 1.147 nan 8.290 nan 0.000 0.354 53 S N -0.484 115.224 115.700 0.013 0.000 3.795 53 S HA -0.191 4.268 4.470 -0.019 0.000 0.639 53 S C -0.043 174.555 174.600 -0.004 0.000 2.014 53 S CA 0.700 58.901 58.200 0.002 0.000 2.183 53 S CB -0.588 62.607 63.200 -0.008 0.000 0.328 53 S HN 1.303 nan 8.310 nan 0.000 1.794 54 E N 2.442 122.637 120.200 -0.007 0.000 1.858 54 E HA 0.487 4.826 4.350 -0.019 0.000 0.278 54 E C 0.531 177.124 176.600 -0.012 0.000 1.172 54 E CA 1.206 57.602 56.400 -0.008 0.000 1.127 54 E CB -1.015 28.681 29.700 -0.006 0.000 1.084 54 E HN 1.648 nan 8.360 nan 0.000 0.455 55 A N 3.133 125.946 122.820 -0.012 0.000 6.890 55 A HA -0.278 4.031 4.320 -0.019 0.000 0.242 55 A C 0.112 177.680 177.584 -0.027 0.000 2.184 55 A CA 0.799 52.827 52.037 -0.016 0.000 0.705 55 A CB -0.955 18.038 19.000 -0.011 0.000 0.983 55 A HN 0.782 nan 8.150 nan 0.000 0.384 56 E N 0.386 120.568 120.200 -0.029 0.000 2.290 56 E HA 0.490 4.829 4.350 -0.019 0.000 0.277 56 E C -0.521 176.058 176.600 -0.034 0.000 1.035 56 E CA 0.286 56.660 56.400 -0.043 0.000 0.873 56 E CB 1.003 30.679 29.700 -0.041 0.000 1.029 56 E HN 0.599 nan 8.360 nan 0.000 0.419 57 D N 3.839 124.211 120.400 -0.048 0.000 2.363 57 D HA 0.130 4.759 4.640 -0.019 0.000 0.258 57 D C -0.991 175.285 176.300 -0.039 0.000 1.259 57 D CA -0.664 53.319 54.000 -0.029 0.000 0.921 57 D CB 0.438 41.223 40.800 -0.025 0.000 1.201 57 D HN 0.313 nan 8.370 nan 0.000 0.524 58 R N 2.988 123.483 120.500 -0.008 0.000 2.288 58 R HA 0.314 4.643 4.340 -0.019 0.000 0.330 58 R C 0.254 176.615 176.300 0.100 0.000 1.069 58 R CA -0.115 55.989 56.100 0.006 0.000 0.941 58 R CB 0.544 30.901 30.300 0.095 0.000 0.998 58 R HN 0.321 nan 8.270 nan 0.000 0.452 59 R N 2.474 122.978 120.500 0.008 0.000 2.532 59 R HA 0.459 4.788 4.340 -0.019 0.000 0.295 59 R C -0.649 175.666 176.300 0.026 0.000 0.968 59 R CA -0.559 55.590 56.100 0.081 0.000 0.916 59 R CB 1.273 31.581 30.300 0.014 0.000 1.124 59 R HN 0.244 nan 8.270 nan 0.000 0.463 60 F N 0.774 120.706 119.950 -0.030 0.000 2.532 60 F HA 0.463 4.979 4.527 -0.018 0.000 0.321 60 F C 0.362 176.155 175.800 -0.012 0.000 1.089 60 F CA -0.819 57.157 58.000 -0.040 0.000 0.926 60 F CB 1.879 40.842 39.000 -0.061 0.000 1.168 60 F HN 0.199 nan 8.300 nan 0.000 0.459 61 R N 1.852 122.437 120.500 0.142 0.000 2.460 61 R HA 0.867 5.196 4.340 -0.019 0.000 0.303 61 R C -1.836 174.528 176.300 0.106 0.000 0.968 61 R CA -0.555 55.641 56.100 0.160 0.000 0.889 61 R CB 1.507 31.922 30.300 0.192 0.000 1.123 61 R HN 0.543 nan 8.270 nan 0.000 0.455 62 V N 4.478 124.496 119.914 0.174 0.000 2.760 62 V HA 0.486 4.595 4.120 -0.019 0.000 0.309 62 V C -1.144 175.211 176.094 0.435 0.000 1.077 62 V CA -0.845 61.542 62.300 0.145 0.000 0.910 62 V CB 1.925 33.808 31.823 0.101 0.000 1.008 62 V HN 0.569 nan 8.190 nan 0.000 0.424 63 F N 4.178 124.280 119.950 0.254 0.000 2.388 63 F HA 0.622 5.138 4.527 -0.019 0.000 0.358 63 F C 0.140 176.027 175.800 0.145 0.000 1.122 63 F CA -1.734 56.409 58.000 0.238 0.000 1.056 63 F CB 1.302 40.488 39.000 0.309 0.000 1.155 63 F HN 0.225 nan 8.300 nan 0.000 0.461 64 I N 4.046 124.784 120.570 0.281 0.000 2.330 64 I HA 0.201 4.360 4.170 -0.019 0.000 0.289 64 I C -0.213 175.987 176.117 0.138 0.000 1.001 64 I CA -0.730 60.670 61.300 0.166 0.000 1.193 64 I CB 1.359 39.421 38.000 0.103 0.000 1.345 64 I HN 0.510 nan 8.210 nan 0.000 0.461 65 H N 5.877 124.967 119.070 0.033 0.000 2.482 65 H HA 0.332 4.877 4.556 -0.019 0.000 0.344 65 H C -1.105 174.216 175.328 -0.012 0.000 1.151 65 H CA -0.275 55.769 56.048 -0.007 0.000 1.300 65 H CB 1.387 31.139 29.762 -0.017 0.000 1.494 65 H HN 0.490 nan 8.280 nan 0.000 0.542 66 D N 4.005 123.947 120.400 -0.763 0.000 2.471 66 D HA 0.081 4.710 4.640 -0.019 0.000 0.245 66 D C 1.142 176.973 176.300 -0.782 0.000 1.116 66 D CA -0.444 53.224 54.000 -0.554 0.000 0.853 66 D CB 1.376 42.014 40.800 -0.270 0.000 1.123 66 D HN 0.488 nan 8.370 nan 0.000 0.540 67 V N 2.225 121.849 119.914 -0.484 0.000 2.913 67 V HA -0.119 3.990 4.120 -0.019 0.000 0.260 67 V C 1.763 177.791 176.094 -0.111 0.000 1.098 67 V CA 1.858 64.034 62.300 -0.206 0.000 1.121 67 V CB -0.805 31.005 31.823 -0.022 0.000 0.714 67 V HN 0.501 nan 8.190 nan 0.000 0.487 68 S N 0.023 115.649 115.700 -0.122 0.000 2.562 68 S HA 0.373 4.832 4.470 -0.019 0.000 0.221 68 S C 1.753 176.311 174.600 -0.071 0.000 0.975 68 S CA 0.855 59.012 58.200 -0.071 0.000 0.918 68 S CB 0.117 63.282 63.200 -0.059 0.000 0.772 68 S HN 1.807 nan 8.310 nan 0.000 0.531 69 G N 0.444 109.182 108.800 -0.104 0.000 2.176 69 G HA2 -0.045 3.904 3.960 -0.019 0.000 0.232 69 G HA3 -0.045 3.904 3.960 -0.019 0.000 0.232 69 G C 0.291 175.146 174.900 -0.076 0.000 0.986 69 G CA -0.085 44.973 45.100 -0.071 0.000 0.643 69 G HN 1.194 nan 8.290 nan 0.000 0.522 70 A N 0.244 123.008 122.820 -0.094 0.000 2.386 70 A HA 0.674 4.983 4.320 -0.019 0.000 0.246 70 A C 0.936 178.469 177.584 -0.086 0.000 1.089 70 A CA 0.045 52.035 52.037 -0.079 0.000 0.790 70 A CB 0.239 19.194 19.000 -0.075 0.000 1.042 70 A HN 0.524 nan 8.150 nan 0.000 0.497 71 R N 1.087 121.542 120.500 -0.074 0.000 2.570 71 R HA 0.171 4.500 4.340 -0.019 0.000 0.277 71 R C -2.163 174.085 176.300 -0.085 0.000 1.039 71 R CA -0.831 55.220 56.100 -0.083 0.000 1.065 71 R CB -0.032 30.219 30.300 -0.081 0.000 0.964 71 R HN 0.586 nan 8.270 nan 0.000 0.428 72 P HA 0.081 nan 4.420 nan 0.000 0.277 72 P C -0.968 176.280 177.300 -0.087 0.000 1.271 72 P CA -0.293 62.762 63.100 -0.074 0.000 0.795 72 P CB 0.961 32.624 31.700 -0.062 0.000 1.101 73 Q N -0.480 119.298 119.800 -0.037 0.000 2.423 73 Q HA 0.365 4.694 4.340 -0.019 0.000 0.278 73 Q C -0.810 175.226 176.000 0.060 0.000 1.097 73 Q CA -0.649 55.146 55.803 -0.012 0.000 0.809 73 Q CB 2.790 31.539 28.738 0.019 0.000 1.391 73 Q HN 0.497 nan 8.270 nan 0.000 0.428 74 E N 1.571 121.820 120.200 0.081 0.000 2.145 74 E HA 0.505 4.843 4.350 -0.019 0.000 0.270 74 E C -1.471 175.252 176.600 0.204 0.000 0.906 74 E CA -0.542 56.001 56.400 0.239 0.000 0.761 74 E CB 1.463 31.306 29.700 0.238 0.000 1.116 74 E HN 0.304 nan 8.360 nan 0.000 0.408 75 V N 3.259 123.318 119.914 0.242 0.000 2.709 75 V HA 0.402 4.511 4.120 -0.019 0.000 0.308 75 V C -0.338 175.856 176.094 0.166 0.000 1.062 75 V CA -0.796 61.601 62.300 0.162 0.000 0.901 75 V CB 2.213 34.109 31.823 0.121 0.000 1.003 75 V HN 0.716 nan 8.190 nan 0.000 0.425 76 T N 3.793 118.422 114.554 0.125 0.000 2.792 76 T HA 0.654 4.993 4.350 -0.019 0.000 0.280 76 T C -0.450 174.305 174.700 0.092 0.000 0.990 76 T CA -0.413 61.757 62.100 0.116 0.000 0.960 76 T CB 1.514 70.439 68.868 0.095 0.000 0.939 76 T HN 0.826 nan 8.240 nan 0.000 0.439 77 V N 0.971 120.947 119.914 0.103 0.000 2.864 77 V HA 0.897 5.006 4.120 -0.019 0.000 0.314 77 V C -0.095 176.057 176.094 0.097 0.000 1.073 77 V CA -0.917 61.429 62.300 0.076 0.000 0.956 77 V CB 2.119 33.967 31.823 0.043 0.000 1.023 77 V HN 0.769 nan 8.190 nan 0.000 0.435 78 S N 2.786 118.524 115.700 0.064 0.000 2.423 78 S HA 0.303 4.762 4.470 -0.019 0.000 0.317 78 S C 0.645 175.277 174.600 0.053 0.000 1.065 78 S CA 0.125 58.366 58.200 0.069 0.000 1.111 78 S CB 0.955 64.178 63.200 0.038 0.000 0.968 78 S HN 1.341 nan 8.310 nan 0.000 0.474 79 V N 5.460 125.425 119.914 0.085 0.000 2.594 79 V HA -0.092 4.017 4.120 -0.019 0.000 0.253 79 V C 2.029 178.131 176.094 0.013 0.000 1.069 79 V CA 2.725 65.028 62.300 0.005 0.000 1.082 79 V CB -0.894 30.895 31.823 -0.056 0.000 0.680 79 V HN 1.003 nan 8.190 nan 0.000 0.469 80 T N 1.003 115.580 114.554 0.038 0.000 2.737 80 T HA -0.112 4.227 4.350 -0.019 0.000 0.265 80 T C 1.560 176.264 174.700 0.007 0.000 1.038 80 T CA 1.780 63.892 62.100 0.019 0.000 1.144 80 T CB -0.327 68.552 68.868 0.018 0.000 0.866 80 T HN 0.527 nan 8.240 nan 0.000 0.434 81 N N 0.443 119.149 118.700 0.009 0.000 2.353 81 N HA 0.153 4.882 4.740 -0.019 0.000 0.185 81 N C 1.347 176.856 175.510 -0.000 0.000 1.098 81 N CA 0.644 53.696 53.050 0.004 0.000 0.872 81 N CB 0.225 38.716 38.487 0.006 0.000 0.970 81 N HN 0.540 nan 8.380 nan 0.000 0.467 82 G N 1.468 110.266 108.800 -0.004 0.000 2.221 82 G HA2 -0.278 3.671 3.960 -0.019 0.000 0.265 82 G HA3 -0.278 3.671 3.960 -0.019 0.000 0.265 82 G C 0.205 175.102 174.900 -0.006 0.000 1.041 82 G CA 1.066 46.159 45.100 -0.011 0.000 0.807 82 G HN 0.530 nan 8.290 nan 0.000 0.502 83 T N -3.695 110.861 114.554 0.002 0.000 2.930 83 T HA 0.719 5.058 4.350 -0.019 0.000 0.290 83 T C -0.315 174.394 174.700 0.014 0.000 1.052 83 T CA -0.641 61.463 62.100 0.007 0.000 1.017 83 T CB 2.828 71.701 68.868 0.009 0.000 1.137 83 T HN 0.721 nan 8.240 nan 0.000 0.511 84 V N 3.202 123.126 119.914 0.016 0.000 2.350 84 V HA 0.225 4.334 4.120 -0.019 0.000 0.276 84 V C 0.989 177.100 176.094 0.027 0.000 1.028 84 V CA -0.745 61.570 62.300 0.025 0.000 0.860 84 V CB 0.723 32.559 31.823 0.023 0.000 0.990 84 V HN 0.815 nan 8.190 nan 0.000 0.453 85 I N 3.300 123.891 120.570 0.036 0.000 2.286 85 I HA 0.005 4.164 4.170 -0.019 0.000 0.245 85 I C 1.066 177.203 176.117 0.032 0.000 1.104 85 I CA 1.231 62.551 61.300 0.032 0.000 1.397 85 I CB -0.465 37.557 38.000 0.037 0.000 1.072 85 I HN 0.794 nan 8.210 nan 0.000 0.417 86 S N -0.553 115.172 115.700 0.043 0.000 2.552 86 S HA 0.805 5.263 4.470 -0.019 0.000 0.272 86 S C -0.968 173.664 174.600 0.053 0.000 1.150 86 S CA -0.509 57.716 58.200 0.042 0.000 0.849 86 S CB 2.419 65.646 63.200 0.044 0.000 1.113 86 S HN 0.317 nan 8.310 nan 0.000 0.458 87 A N 1.146 123.993 122.820 0.044 0.000 2.466 87 A HA 0.725 5.033 4.320 -0.019 0.000 0.284 87 A C -0.610 176.993 177.584 0.030 0.000 1.049 87 A CA -0.418 51.647 52.037 0.046 0.000 0.760 87 A CB 0.924 19.946 19.000 0.035 0.000 1.274 87 A HN 2.105 nan 8.150 nan 0.000 0.412 88 V N -0.026 119.907 119.914 0.032 0.000 2.604 88 V HA 0.726 4.835 4.120 -0.019 0.000 0.305 88 V C -0.204 175.878 176.094 -0.022 0.000 1.043 88 V CA -0.763 61.540 62.300 0.005 0.000 0.888 88 V CB 1.573 33.402 31.823 0.009 0.000 0.995 88 V HN 0.906 nan 8.190 nan 0.000 0.429 89 E N 3.043 123.220 120.200 -0.040 0.000 2.313 89 E HA 0.552 4.891 4.350 -0.019 0.000 0.276 89 E C -1.176 175.360 176.600 -0.108 0.000 1.031 89 E CA -0.609 55.751 56.400 -0.067 0.000 0.857 89 E CB 1.274 30.941 29.700 -0.056 0.000 1.040 89 E HN 0.757 nan 8.360 nan 0.000 0.408 90 L N 3.475 124.600 121.223 -0.164 0.000 2.309 90 L HA 0.278 4.606 4.340 -0.019 0.000 0.282 90 L C 0.039 176.780 176.870 -0.215 0.000 1.036 90 L CA -0.694 53.997 54.840 -0.248 0.000 0.806 90 L CB 1.309 43.100 42.059 -0.447 0.000 1.220 90 L HN 0.489 nan 8.230 nan 0.000 0.429 91 D N 1.582 121.863 120.400 -0.198 0.000 2.500 91 D HA 0.038 4.667 4.640 -0.019 0.000 0.219 91 D C 1.325 177.507 176.300 -0.196 0.000 1.137 91 D CA -0.167 53.740 54.000 -0.155 0.000 0.946 91 D CB 1.184 41.918 40.800 -0.110 0.000 1.022 91 D HN 0.718 nan 8.370 nan 0.000 0.518 92 T N 0.657 115.083 114.554 -0.214 0.000 2.803 92 T HA -0.178 4.160 4.350 -0.019 0.000 0.269 92 T C 1.863 176.472 174.700 -0.152 0.000 1.052 92 T CA 1.096 63.054 62.100 -0.236 0.000 1.136 92 T CB -0.099 68.641 68.868 -0.214 0.000 0.864 92 T HN 0.250 nan 8.240 nan 0.000 0.467 93 A N 1.315 124.074 122.820 -0.101 0.000 2.019 93 A HA 0.397 4.706 4.320 -0.019 0.000 0.219 93 A C 2.661 180.224 177.584 -0.034 0.000 1.164 93 A CA 1.695 53.698 52.037 -0.058 0.000 0.644 93 A CB -1.083 17.889 19.000 -0.048 0.000 0.805 93 A HN 0.785 nan 8.150 nan 0.000 0.449 94 A N -0.776 122.010 122.820 -0.057 0.000 1.881 94 A HA 0.098 4.407 4.320 -0.019 0.000 0.210 94 A C 2.255 179.831 177.584 -0.014 0.000 1.239 94 A CA 1.857 53.880 52.037 -0.024 0.000 0.629 94 A CB -0.908 18.065 19.000 -0.045 0.000 0.906 94 A HN 0.686 nan 8.150 nan 0.000 0.460 95 T N -3.358 111.097 114.554 -0.165 0.000 3.107 95 T HA 0.465 4.804 4.350 -0.019 0.000 0.249 95 T C 0.850 175.145 174.700 -0.676 0.000 1.096 95 T CA 0.878 62.771 62.100 -0.344 0.000 1.012 95 T CB -0.185 68.535 68.868 -0.246 0.000 0.977 95 T HN 1.935 nan 8.240 nan 0.000 0.527 96 G N 0.946 109.484 108.800 -0.437 0.000 2.617 96 G HA2 0.064 4.013 3.960 -0.019 0.000 0.686 96 G HA3 0.064 4.013 3.960 -0.019 0.000 0.686 96 G C -1.109 173.617 174.900 -0.290 0.000 1.214 96 G CA -1.079 43.838 45.100 -0.305 0.000 0.796 96 G HN 0.248 nan 8.290 nan 0.000 0.654 97 E N 0.347 120.451 120.200 -0.159 0.000 2.349 97 E HA 0.475 4.814 4.350 -0.019 0.000 0.262 97 E C 1.218 177.748 176.600 -0.117 0.000 1.088 97 E CA -0.501 55.798 56.400 -0.169 0.000 0.899 97 E CB 0.918 30.545 29.700 -0.122 0.000 1.044 97 E HN 0.509 nan 8.360 nan 0.000 0.420 98 L N 1.789 122.942 121.223 -0.117 0.000 2.472 98 L HA 0.190 4.519 4.340 -0.019 0.000 0.260 98 L C -1.913 174.969 176.870 0.020 0.000 1.209 98 L CA -1.709 53.144 54.840 0.022 0.000 0.817 98 L CB -0.327 41.757 42.059 0.041 0.000 1.106 98 L HN 0.135 nan 8.230 nan 0.000 0.479 99 P HA -0.015 nan 4.420 nan 0.000 0.268 99 P C -0.626 176.630 177.300 -0.075 0.000 1.208 99 P CA -0.257 62.865 63.100 0.037 0.000 0.777 99 P CB 0.404 32.176 31.700 0.119 0.000 0.875 100 V N 3.185 123.007 119.914 -0.154 0.000 2.740 100 V HA -0.016 4.092 4.120 -0.019 0.000 0.303 100 V C 0.789 176.708 176.094 -0.292 0.000 1.054 100 V CA 0.252 62.345 62.300 -0.345 0.000 1.106 100 V CB -0.361 31.107 31.823 -0.591 0.000 0.957 100 V HN 0.313 nan 8.190 nan 0.000 0.486 101 L N 3.237 124.234 121.223 -0.377 0.000 2.357 101 L HA 0.349 4.678 4.340 -0.019 0.000 0.273 101 L C 1.497 178.232 176.870 -0.225 0.000 1.080 101 L CA -0.274 54.432 54.840 -0.223 0.000 0.803 101 L CB 0.977 42.911 42.059 -0.208 0.000 1.174 101 L HN 0.693 nan 8.230 nan 0.000 0.443 102 E N 1.181 121.418 120.200 0.061 0.000 2.085 102 E HA -0.262 4.077 4.350 -0.019 0.000 0.194 102 E C 1.671 178.381 176.600 0.184 0.000 0.994 102 E CA 1.864 58.448 56.400 0.307 0.000 0.801 102 E CB 0.131 30.013 29.700 0.303 0.000 0.743 102 E HN 0.752 nan 8.360 nan 0.000 0.453 103 E N 0.873 121.108 120.200 0.058 0.000 2.153 103 E HA -0.230 4.109 4.350 -0.019 0.000 0.194 103 E C 1.557 178.164 176.600 0.012 0.000 0.988 103 E CA 1.145 57.577 56.400 0.054 0.000 0.811 103 E CB -0.219 29.501 29.700 0.033 0.000 0.746 103 E HN 0.327 nan 8.360 nan 0.000 0.466 104 E N -0.063 120.070 120.200 -0.111 0.000 2.208 104 E HA -0.088 4.251 4.350 -0.019 0.000 0.193 104 E C 1.606 178.138 176.600 -0.114 0.000 0.988 104 E CA 0.666 56.965 56.400 -0.169 0.000 0.828 104 E CB -0.137 29.375 29.700 -0.314 0.000 0.763 104 E HN 0.255 nan 8.360 nan 0.000 0.478 105 F N 1.852 121.830 119.950 0.047 0.000 2.134 105 F HA -0.124 4.392 4.527 -0.019 0.000 0.299 105 F C 2.072 177.909 175.800 0.061 0.000 1.097 105 F CA 1.167 59.208 58.000 0.068 0.000 1.264 105 F CB -0.472 38.598 39.000 0.117 0.000 1.001 105 F HN -0.001 nan 8.300 nan 0.000 0.479 106 E N -0.219 120.129 120.200 0.248 0.000 2.204 106 E HA -0.143 4.196 4.350 -0.019 0.000 0.195 106 E C 2.337 178.994 176.600 0.095 0.000 0.990 106 E CA 1.221 57.716 56.400 0.158 0.000 0.821 106 E CB -0.433 29.351 29.700 0.140 0.000 0.750 106 E HN 0.206 nan 8.360 nan 0.000 0.477 107 V N 1.308 121.262 119.914 0.067 0.000 2.255 107 V HA -0.281 3.828 4.120 -0.019 0.000 0.247 107 V C 2.414 178.508 176.094 -0.001 0.000 1.051 107 V CA 1.549 63.864 62.300 0.023 0.000 1.018 107 V CB -0.538 31.284 31.823 -0.001 0.000 0.641 107 V HN 0.140 nan 8.190 nan 0.000 0.445 108 V N -0.100 119.817 119.914 0.005 0.000 2.233 108 V HA -0.411 3.698 4.120 -0.019 0.000 0.252 108 V C 2.451 178.482 176.094 -0.105 0.000 1.063 108 V CA 2.713 64.985 62.300 -0.047 0.000 1.032 108 V CB -0.703 31.121 31.823 0.002 0.000 0.645 108 V HN 0.671 nan 8.190 nan 0.000 0.446 109 E N -0.611 119.566 120.200 -0.039 0.000 2.077 109 E HA -0.267 4.072 4.350 -0.019 0.000 0.193 109 E C 2.331 178.900 176.600 -0.051 0.000 0.989 109 E CA 1.505 57.878 56.400 -0.045 0.000 0.800 109 E CB -0.080 29.644 29.700 0.039 0.000 0.746 109 E HN 0.731 nan 8.360 nan 0.000 0.452 110 Q N 0.263 120.052 119.800 -0.018 0.000 2.030 110 Q HA -0.198 4.131 4.340 -0.019 0.000 0.204 110 Q C 2.466 178.443 176.000 -0.038 0.000 0.986 110 Q CA 1.638 57.436 55.803 -0.008 0.000 0.843 110 Q CB -0.216 28.527 28.738 0.008 0.000 0.904 110 Q HN 0.351 nan 8.270 nan 0.000 0.420 111 L N 0.298 121.480 121.223 -0.068 0.000 2.046 111 L HA -0.193 4.136 4.340 -0.019 0.000 0.208 111 L C 2.348 179.135 176.870 -0.138 0.000 1.077 111 L CA 0.895 55.683 54.840 -0.086 0.000 0.747 111 L CB -0.395 41.607 42.059 -0.095 0.000 0.896 111 L HN 0.267 nan 8.230 nan 0.000 0.432 112 L N -0.423 120.638 121.223 -0.269 0.000 2.141 112 L HA -0.135 4.194 4.340 -0.019 0.000 0.209 112 L C 2.811 179.566 176.870 -0.191 0.000 1.094 112 L CA 0.810 55.351 54.840 -0.498 0.000 0.763 112 L CB -0.656 40.660 42.059 -1.238 0.000 0.908 112 L HN 0.223 nan 8.230 nan 0.000 0.437 113 A N -0.107 122.687 122.820 -0.044 0.000 2.076 113 A HA -0.184 4.124 4.320 -0.019 0.000 0.220 113 A C 2.095 179.743 177.584 0.107 0.000 1.160 113 A CA 2.108 54.215 52.037 0.116 0.000 0.653 113 A CB -0.691 18.357 19.000 0.081 0.000 0.801 113 A HN 0.514 nan 8.150 nan 0.000 0.455 114 T N -3.334 111.251 114.554 0.052 0.000 3.129 114 T HA 0.276 4.615 4.350 -0.019 0.000 0.267 114 T C -0.089 174.640 174.700 0.049 0.000 1.018 114 T CA 0.192 62.322 62.100 0.049 0.000 0.903 114 T CB -0.317 68.567 68.868 0.026 0.000 1.067 114 T HN 0.340 nan 8.240 nan 0.000 0.549 115 D N 1.819 122.257 120.400 0.063 0.000 2.264 115 D HA 0.165 4.794 4.640 -0.019 0.000 0.250 115 D C 1.455 177.825 176.300 0.116 0.000 1.113 115 D CA -0.492 53.547 54.000 0.066 0.000 0.871 115 D CB 1.230 42.054 40.800 0.040 0.000 1.167 115 D HN 0.442 nan 8.370 nan 0.000 0.447 116 E N 3.414 123.658 120.200 0.075 0.000 2.150 116 E HA -0.208 4.131 4.350 -0.019 0.000 0.193 116 E C 1.470 178.115 176.600 0.076 0.000 0.985 116 E CA 0.566 57.006 56.400 0.067 0.000 0.814 116 E CB 0.073 29.795 29.700 0.037 0.000 0.752 116 E HN 0.423 nan 8.360 nan 0.000 0.466 117 R N 0.078 120.628 120.500 0.084 0.000 2.096 117 R HA -0.082 4.247 4.340 -0.019 0.000 0.235 117 R C 2.148 178.528 176.300 0.133 0.000 1.127 117 R CA 1.729 57.876 56.100 0.080 0.000 0.968 117 R CB -0.464 29.875 30.300 0.065 0.000 0.861 117 R HN 0.447 nan 8.270 nan 0.000 0.440 118 W N 1.441 122.722 121.300 -0.033 0.000 2.379 118 W HA -0.133 4.516 4.660 -0.019 0.000 0.307 118 W C 1.458 177.966 176.519 -0.020 0.000 1.200 118 W CA 1.188 58.516 57.345 -0.028 0.000 1.297 118 W CB -0.133 29.313 29.460 -0.023 0.000 1.140 118 W HN 0.069 nan 8.180 nan 0.000 0.507 119 L N 0.854 122.166 121.223 0.148 0.000 2.083 119 L HA -0.256 4.073 4.340 -0.019 0.000 0.209 119 L C 2.496 179.338 176.870 -0.048 0.000 1.083 119 L CA 1.595 56.450 54.840 0.026 0.000 0.752 119 L CB -0.901 41.201 42.059 0.072 0.000 0.899 119 L HN -0.102 nan 8.230 nan 0.000 0.433 120 K N 0.297 120.682 120.400 -0.025 0.000 2.026 120 K HA -0.130 4.178 4.320 -0.019 0.000 0.208 120 K C 2.144 178.690 176.600 -0.091 0.000 1.048 120 K CA 1.375 57.636 56.287 -0.043 0.000 0.929 120 K CB -0.242 32.246 32.500 -0.019 0.000 0.713 120 K HN 0.237 nan 8.250 nan 0.000 0.439 121 A N 0.753 123.493 122.820 -0.133 0.000 1.883 121 A HA -0.149 4.159 4.320 -0.019 0.000 0.217 121 A C 2.134 179.564 177.584 -0.257 0.000 1.186 121 A CA 1.625 53.543 52.037 -0.199 0.000 0.624 121 A CB -0.777 18.059 19.000 -0.273 0.000 0.822 121 A HN 0.309 nan 8.150 nan 0.000 0.444 122 L N -0.976 120.042 121.223 -0.342 0.000 2.093 122 L HA -0.177 4.152 4.340 -0.019 0.000 0.208 122 L C 3.067 179.837 176.870 -0.166 0.000 1.085 122 L CA 1.038 55.697 54.840 -0.302 0.000 0.755 122 L CB -0.646 41.214 42.059 -0.332 0.000 0.904 122 L HN 0.456 nan 8.230 nan 0.000 0.435 123 A N 0.203 122.948 122.820 -0.124 0.000 1.930 123 A HA -0.094 4.215 4.320 -0.019 0.000 0.217 123 A C 2.496 180.036 177.584 -0.073 0.000 1.175 123 A CA 1.464 53.454 52.037 -0.079 0.000 0.627 123 A CB -0.543 18.424 19.000 -0.055 0.000 0.815 123 A HN 0.384 nan 8.150 nan 0.000 0.443 124 A N -0.540 122.229 122.820 -0.084 0.000 2.125 124 A HA -0.077 4.232 4.320 -0.019 0.000 0.219 124 A C 2.045 179.587 177.584 -0.070 0.000 1.156 124 A CA 1.357 53.351 52.037 -0.071 0.000 0.671 124 A CB -0.278 18.679 19.000 -0.073 0.000 0.794 124 A HN 0.539 nan 8.150 nan 0.000 0.459 125 R N -1.053 119.395 120.500 -0.086 0.000 2.437 125 R HA 0.126 4.455 4.340 -0.019 0.000 0.257 125 R C -0.301 175.958 176.300 -0.068 0.000 0.927 125 R CA 0.094 56.148 56.100 -0.077 0.000 1.078 125 R CB 0.309 30.549 30.300 -0.099 0.000 1.161 125 R HN 0.424 nan 8.270 nan 0.000 0.529 126 N N 0.928 119.589 118.700 -0.066 0.000 2.754 126 N HA -0.176 4.553 4.740 -0.019 0.000 0.248 126 N C -1.013 174.464 175.510 -0.056 0.000 1.093 126 N CA 0.952 53.971 53.050 -0.052 0.000 0.699 126 N CB -1.447 37.017 38.487 -0.039 0.000 1.016 126 N HN 0.268 nan 8.380 nan 0.000 0.552 127 L N 0.190 121.369 121.223 -0.074 0.000 2.307 127 L HA 0.350 4.678 4.340 -0.019 0.000 0.284 127 L C 0.662 177.498 176.870 -0.056 0.000 1.023 127 L CA -0.874 53.922 54.840 -0.073 0.000 0.810 127 L CB 1.389 43.386 42.059 -0.103 0.000 1.231 127 L HN -0.098 nan 8.230 nan 0.000 0.423 128 D N 2.031 122.411 120.400 -0.034 0.000 2.371 128 D HA 0.001 4.630 4.640 -0.019 0.000 0.256 128 D C 0.797 177.097 176.300 0.000 0.000 1.193 128 D CA 0.103 54.095 54.000 -0.013 0.000 0.881 128 D CB 1.864 42.663 40.800 -0.002 0.000 1.143 128 D HN 0.283 nan 8.370 nan 0.000 0.473 129 V N 3.964 123.887 119.914 0.016 0.000 2.469 129 V HA -0.265 3.843 4.120 -0.019 0.000 0.251 129 V C 2.120 178.258 176.094 0.073 0.000 1.064 129 V CA 2.807 65.143 62.300 0.061 0.000 1.066 129 V CB -0.476 31.403 31.823 0.094 0.000 0.667 129 V HN 0.749 nan 8.190 nan 0.000 0.461 130 S N -0.966 114.764 115.700 0.050 0.000 2.474 130 S HA -0.135 4.324 4.470 -0.019 0.000 0.235 130 S C 1.697 176.321 174.600 0.041 0.000 0.997 130 S CA 1.177 59.406 58.200 0.048 0.000 0.949 130 S CB -0.358 62.865 63.200 0.038 0.000 0.766 130 S HN 0.731 nan 8.310 nan 0.000 0.517 131 K N 0.675 121.094 120.400 0.031 0.000 2.358 131 K HA 0.307 4.615 4.320 -0.019 0.000 0.197 131 K C -0.750 175.862 176.600 0.019 0.000 1.025 131 K CA -0.075 56.221 56.287 0.016 0.000 1.104 131 K CB 0.944 33.444 32.500 -0.000 0.000 0.855 131 K HN 0.188 nan 8.250 nan 0.000 0.531 132 V N 3.525 123.470 119.914 0.052 0.000 2.320 132 V HA 0.178 4.287 4.120 -0.019 0.000 0.265 132 V C 0.193 176.363 176.094 0.127 0.000 1.048 132 V CA -0.706 61.645 62.300 0.084 0.000 0.865 132 V CB 0.464 32.349 31.823 0.103 0.000 1.043 132 V HN 0.174 nan 8.190 nan 0.000 0.474 133 R N 3.188 123.743 120.500 0.091 0.000 2.539 133 R HA 0.541 4.870 4.340 -0.019 0.000 0.275 133 R C -0.621 175.785 176.300 0.177 0.000 1.077 133 R CA -0.353 55.796 56.100 0.081 0.000 1.097 133 R CB 1.555 31.833 30.300 -0.035 0.000 1.018 133 R HN 0.421 nan 8.270 nan 0.000 0.483 134 V N 1.615 121.632 119.914 0.172 0.000 2.531 134 V HA 0.398 4.506 4.120 -0.019 0.000 0.301 134 V C -0.107 176.129 176.094 0.238 0.000 1.034 134 V CA -1.148 61.297 62.300 0.242 0.000 0.865 134 V CB 1.801 33.717 31.823 0.154 0.000 0.995 134 V HN 0.841 nan 8.190 nan 0.000 0.424 135 A N 7.608 130.651 122.820 0.372 0.000 2.343 135 A HA 0.648 4.957 4.320 -0.019 0.000 0.305 135 A C -2.307 175.500 177.584 0.371 0.000 1.308 135 A CA -1.342 50.936 52.037 0.402 0.000 0.949 135 A CB 0.067 19.469 19.000 0.670 0.000 1.148 135 A HN 0.565 nan 8.150 nan 0.000 0.545 136 P HA 0.379 nan 4.420 nan 0.000 0.288 136 P C -0.824 176.708 177.300 0.386 0.000 1.363 136 P CA 0.155 63.445 63.100 0.316 0.000 0.837 136 P CB 0.592 32.520 31.700 0.381 0.000 0.981 137 L N 2.147 123.569 121.223 0.331 0.000 2.322 137 L HA 0.469 4.798 4.340 -0.019 0.000 0.269 137 L C 1.072 178.084 176.870 0.238 0.000 1.012 137 L CA -1.076 53.961 54.840 0.327 0.000 0.815 137 L CB 1.609 43.838 42.059 0.284 0.000 1.295 137 L HN 0.282 nan 8.230 nan 0.000 0.438 138 S N 0.292 116.122 115.700 0.217 0.000 2.563 138 S HA 0.160 4.619 4.470 -0.019 0.000 0.284 138 S C 0.794 175.490 174.600 0.160 0.000 1.331 138 S CA -0.025 58.244 58.200 0.116 0.000 1.047 138 S CB 1.282 64.561 63.200 0.132 0.000 0.859 138 S HN 0.746 nan 8.310 nan 0.000 0.514 139 A N 3.001 125.855 122.820 0.056 0.000 1.984 139 A HA 0.568 4.877 4.320 -0.019 0.000 0.214 139 A C 1.560 179.277 177.584 0.221 0.000 1.173 139 A CA 0.667 52.710 52.037 0.010 0.000 0.673 139 A CB -1.471 17.449 19.000 -0.133 0.000 0.830 139 A HN 2.323 nan 8.150 nan 0.000 0.453 140 G N -1.652 107.252 108.800 0.174 0.000 2.645 140 G HA2 -0.065 3.884 3.960 -0.019 0.000 0.239 140 G HA3 -0.065 3.884 3.960 -0.019 0.000 0.239 140 G C -0.380 174.480 174.900 -0.067 0.000 1.331 140 G CA -0.194 44.980 45.100 0.125 0.000 0.890 140 G HN 1.132 nan 8.290 nan 0.000 0.572 141 V N 0.958 120.616 119.914 -0.426 0.000 2.447 141 V HA 0.723 4.831 4.120 -0.019 0.000 0.292 141 V C -0.185 175.381 176.094 -0.879 0.000 1.021 141 V CA -0.359 61.678 62.300 -0.437 0.000 0.850 141 V CB 0.986 32.615 31.823 -0.325 0.000 1.005 141 V HN 0.688 nan 8.190 nan 0.000 0.426 142 F N 1.739 121.667 119.950 -0.038 0.000 3.208 142 F HA 0.435 4.951 4.527 -0.019 0.000 0.286 142 F C 1.618 177.268 175.800 -0.250 0.000 1.532 142 F CA -0.605 57.316 58.000 -0.131 0.000 1.004 142 F CB 0.334 39.256 39.000 -0.129 0.000 1.777 142 F HN 0.451 nan 8.300 nan 0.000 0.384 143 E N 0.604 120.630 120.200 -0.290 0.000 2.476 143 E HA -0.046 4.293 4.350 -0.019 0.000 0.191 143 E C -0.985 175.432 176.600 -0.305 0.000 1.064 143 E CA 0.301 56.516 56.400 -0.308 0.000 0.866 143 E CB -0.699 28.845 29.700 -0.261 0.000 0.952 143 E HN 0.521 nan 8.360 nan 0.000 0.492 144 Y N 1.186 121.536 120.300 0.083 0.000 2.636 144 Y HA 0.434 4.973 4.550 -0.019 0.000 0.341 144 Y C 1.599 177.513 175.900 0.023 0.000 1.169 144 Y CA -0.251 57.883 58.100 0.057 0.000 1.498 144 Y CB 0.546 39.038 38.460 0.054 0.000 1.362 144 Y HN 0.074 nan 8.280 nan 0.000 0.494 145 A N 2.214 125.109 122.820 0.124 0.000 1.986 145 A HA -0.235 4.074 4.320 -0.019 0.000 0.220 145 A C 2.192 179.815 177.584 0.065 0.000 1.171 145 A CA 1.890 53.967 52.037 0.067 0.000 0.640 145 A CB -0.280 18.746 19.000 0.043 0.000 0.811 145 A HN 0.736 nan 8.150 nan 0.000 0.451 146 E N 0.597 120.851 120.200 0.089 0.000 2.409 146 E HA -0.183 4.156 4.350 -0.019 0.000 0.198 146 E C 1.128 177.751 176.600 0.039 0.000 1.024 146 E CA 1.320 57.753 56.400 0.056 0.000 0.861 146 E CB -0.421 29.312 29.700 0.055 0.000 0.788 146 E HN 0.783 nan 8.360 nan 0.000 0.521 147 E N 0.785 121.019 120.200 0.057 0.000 2.385 147 E HA 0.048 4.387 4.350 -0.019 0.000 0.194 147 E C 0.186 176.785 176.600 -0.001 0.000 1.013 147 E CA -0.184 56.229 56.400 0.022 0.000 0.866 147 E CB 0.078 29.799 29.700 0.035 0.000 0.832 147 E HN 0.179 nan 8.360 nan 0.000 0.500 148 R N 0.549 121.052 120.500 0.004 0.000 2.446 148 R HA 0.126 4.454 4.340 -0.019 0.000 0.314 148 R C 0.861 177.146 176.300 -0.025 0.000 1.003 148 R CA 0.729 56.820 56.100 -0.015 0.000 1.018 148 R CB 0.177 30.469 30.300 -0.013 0.000 0.945 148 R HN 0.280 nan 8.270 nan 0.000 0.419 149 G N 2.571 111.347 108.800 -0.039 0.000 2.194 149 G HA2 -0.294 3.655 3.960 -0.019 0.000 0.236 149 G HA3 -0.294 3.655 3.960 -0.019 0.000 0.236 149 G C 0.173 175.046 174.900 -0.046 0.000 0.987 149 G CA -0.300 44.771 45.100 -0.048 0.000 0.635 149 G HN 0.523 nan 8.290 nan 0.000 0.520 150 R N -0.088 120.388 120.500 -0.041 0.000 2.668 150 R HA 0.669 4.998 4.340 -0.019 0.000 0.279 150 R C 0.077 176.343 176.300 -0.057 0.000 0.976 150 R CA -0.863 55.213 56.100 -0.041 0.000 0.978 150 R CB 0.974 31.255 30.300 -0.032 0.000 1.133 150 R HN 0.131 nan 8.270 nan 0.000 0.484 151 R N 2.347 122.811 120.500 -0.061 0.000 2.230 151 R HA 0.310 4.639 4.340 -0.019 0.000 0.337 151 R C -0.342 175.900 176.300 -0.097 0.000 1.063 151 R CA -0.299 55.746 56.100 -0.092 0.000 0.935 151 R CB 0.423 30.655 30.300 -0.112 0.000 1.121 151 R HN 0.279 nan 8.270 nan 0.000 0.486 152 I N 4.173 124.681 120.570 -0.104 0.000 2.525 152 I HA 0.444 4.603 4.170 -0.019 0.000 0.301 152 I C 0.127 176.167 176.117 -0.127 0.000 0.992 152 I CA -0.850 60.381 61.300 -0.116 0.000 1.162 152 I CB 1.586 39.505 38.000 -0.136 0.000 1.332 152 I HN 0.476 nan 8.210 nan 0.000 0.458 153 L N 4.880 126.030 121.223 -0.121 0.000 2.422 153 L HA 0.520 4.849 4.340 -0.019 0.000 0.264 153 L C -0.369 176.423 176.870 -0.130 0.000 0.984 153 L CA -0.788 53.999 54.840 -0.089 0.000 0.819 153 L CB 2.597 44.641 42.059 -0.025 0.000 1.330 153 L HN 0.506 nan 8.230 nan 0.000 0.410 154 R N 1.222 121.609 120.500 -0.188 0.000 2.393 154 R HA 0.607 4.936 4.340 -0.019 0.000 0.310 154 R C -0.158 176.124 176.300 -0.029 0.000 0.968 154 R CA -0.679 55.252 56.100 -0.283 0.000 0.867 154 R CB 1.979 31.656 30.300 -1.038 0.000 1.124 154 R HN 0.738 nan 8.270 nan 0.000 0.450 155 G N 3.131 111.955 108.800 0.039 0.000 2.379 155 G HA2 0.582 4.531 3.960 -0.019 0.000 0.327 155 G HA3 0.582 4.531 3.960 -0.019 0.000 0.327 155 G C -0.723 174.359 174.900 0.304 0.000 1.145 155 G CA -0.608 44.579 45.100 0.144 0.000 0.905 155 G HN 0.315 nan 8.290 nan 0.000 0.466 156 L N 1.405 122.887 121.223 0.432 0.000 2.365 156 L HA 0.680 5.009 4.340 -0.019 0.000 0.273 156 L C 0.467 177.548 176.870 0.353 0.000 1.000 156 L CA -1.003 54.100 54.840 0.438 0.000 0.819 156 L CB 2.203 44.615 42.059 0.589 0.000 1.284 156 L HN 0.632 nan 8.230 nan 0.000 0.418 157 A N 2.995 125.901 122.820 0.143 0.000 2.304 157 A HA 0.844 5.153 4.320 -0.019 0.000 0.301 157 A C -1.181 176.139 177.584 -0.440 0.000 1.132 157 A CA -0.143 51.928 52.037 0.057 0.000 0.819 157 A CB 0.466 19.517 19.000 0.086 0.000 1.094 157 A HN 0.511 nan 8.150 nan 0.000 0.492 158 F N 0.742 120.678 119.950 -0.024 0.000 2.574 158 F HA 0.413 4.929 4.527 -0.018 0.000 0.313 158 F C -0.151 175.602 175.800 -0.078 0.000 1.130 158 F CA -0.671 57.268 58.000 -0.102 0.000 0.936 158 F CB 2.292 41.112 39.000 -0.300 0.000 1.219 158 F HN 0.314 nan 8.300 nan 0.000 0.445 159 V N 2.886 122.864 119.914 0.107 0.000 2.461 159 V HA 0.259 4.368 4.120 -0.019 0.000 0.275 159 V C -0.260 175.862 176.094 0.046 0.000 1.047 159 V CA -0.441 61.880 62.300 0.036 0.000 0.955 159 V CB 1.326 33.119 31.823 -0.050 0.000 0.988 159 V HN 0.755 nan 8.190 nan 0.000 0.471 160 Q N 3.108 122.891 119.800 -0.028 0.000 2.425 160 Q HA 0.229 4.558 4.340 -0.019 0.000 0.254 160 Q C 0.084 176.013 176.000 -0.118 0.000 1.032 160 Q CA -0.613 55.133 55.803 -0.095 0.000 0.798 160 Q CB 1.155 29.821 28.738 -0.120 0.000 1.210 160 Q HN 0.772 nan 8.270 nan 0.000 0.491 161 D N 3.471 123.768 120.400 -0.172 0.000 2.178 161 D HA -0.033 4.596 4.640 -0.019 0.000 0.202 161 D C 0.194 176.561 176.300 0.112 0.000 0.974 161 D CA 1.295 55.270 54.000 -0.042 0.000 0.841 161 D CB 0.153 40.992 40.800 0.065 0.000 0.953 161 D HN 0.427 nan 8.370 nan 0.000 0.478 162 F N -3.856 116.095 119.950 0.003 0.000 2.745 162 F HA 0.412 4.928 4.527 -0.019 0.000 0.316 162 F C -2.374 173.421 175.800 -0.008 0.000 1.155 162 F CA -2.240 55.757 58.000 -0.004 0.000 0.937 162 F CB 0.445 39.440 39.000 -0.008 0.000 1.361 162 F HN -0.424 nan 8.300 nan 0.000 0.472 163 P HA -0.154 nan 4.420 nan 0.000 0.215 163 P C 0.260 177.565 177.300 0.008 0.000 1.163 163 P CA 2.304 65.445 63.100 0.069 0.000 0.894 163 P CB 0.057 31.819 31.700 0.104 0.000 0.791 164 E N -1.113 119.154 120.200 0.113 0.000 2.445 164 E HA 0.077 4.416 4.350 -0.019 0.000 0.189 164 E C 0.001 176.494 176.600 -0.178 0.000 1.069 164 E CA 0.022 56.440 56.400 0.031 0.000 0.871 164 E CB -0.807 28.972 29.700 0.132 0.000 0.991 164 E HN 0.316 nan 8.360 nan 0.000 0.481 165 D N 0.381 120.439 120.400 -0.570 0.000 2.304 165 D HA 0.070 4.699 4.640 -0.019 0.000 0.250 165 D C -0.595 175.468 176.300 -0.395 0.000 1.107 165 D CA -0.229 53.262 54.000 -0.848 0.000 0.885 165 D CB 0.974 40.907 40.800 -1.446 0.000 1.192 165 D HN -0.077 nan 8.370 nan 0.000 0.436 166 S N 2.703 118.232 115.700 -0.284 0.000 2.411 166 S HA 0.400 4.859 4.470 -0.019 0.000 0.304 166 S C 1.121 175.655 174.600 -0.111 0.000 1.098 166 S CA -0.242 57.879 58.200 -0.131 0.000 1.068 166 S CB 0.245 63.404 63.200 -0.068 0.000 1.032 166 S HN 0.519 nan 8.310 nan 0.000 0.511 167 A N 5.026 127.692 122.820 -0.256 0.000 2.019 167 A HA -0.040 4.269 4.320 -0.019 0.000 0.219 167 A C 1.448 178.929 177.584 -0.172 0.000 1.164 167 A CA 0.989 52.893 52.037 -0.220 0.000 0.644 167 A CB -0.787 17.997 19.000 -0.358 0.000 0.805 167 A HN 0.998 nan 8.150 nan 0.000 0.449 168 W N -0.131 121.153 121.300 -0.027 0.000 2.387 168 W HA -0.064 4.585 4.660 -0.018 0.000 0.272 168 W C 2.383 179.048 176.519 0.243 0.000 1.224 168 W CA 0.851 58.178 57.345 -0.031 0.000 1.210 168 W CB -0.180 29.254 29.460 -0.043 0.000 1.125 168 W HN 0.377 nan 8.180 nan 0.000 0.572 169 A N -0.777 122.248 122.820 0.341 0.000 2.168 169 A HA -0.061 4.248 4.320 -0.019 0.000 0.215 169 A C 0.533 177.966 177.584 -0.251 0.000 1.152 169 A CA 0.803 52.916 52.037 0.126 0.000 0.716 169 A CB -0.574 18.417 19.000 -0.015 0.000 0.794 169 A HN 0.323 nan 8.150 nan 0.000 0.465 170 H N -0.106 119.098 119.070 0.223 0.000 2.386 170 H HA 0.249 4.794 4.556 -0.018 0.000 0.232 170 H C -2.920 172.423 175.328 0.025 0.000 1.416 170 H CA -2.316 53.794 56.048 0.103 0.000 1.285 170 H CB -0.158 29.643 29.762 0.066 0.000 1.625 170 H HN 0.350 nan 8.280 nan 0.000 0.521 171 P HA 0.017 nan 4.420 nan 0.000 0.271 171 P C 0.302 177.419 177.300 -0.305 0.000 1.218 171 P CA -0.302 62.549 63.100 -0.414 0.000 0.780 171 P CB 2.013 33.525 31.700 -0.313 0.000 0.901 172 V N 3.402 123.069 119.914 -0.411 0.000 2.240 172 V HA 0.128 4.236 4.120 -0.019 0.000 0.265 172 V C 0.700 176.651 176.094 -0.239 0.000 1.073 172 V CA -0.324 61.829 62.300 -0.246 0.000 0.857 172 V CB 0.062 31.745 31.823 -0.234 0.000 1.114 172 V HN 0.534 nan 8.190 nan 0.000 0.469 173 D N 2.838 123.092 120.400 -0.244 0.000 2.360 173 D HA 0.355 4.984 4.640 -0.019 0.000 0.242 173 D C 1.347 177.556 176.300 -0.152 0.000 1.184 173 D CA 1.585 55.363 54.000 -0.369 0.000 0.930 173 D CB 1.615 41.901 40.800 -0.856 0.000 1.161 173 D HN 0.720 nan 8.370 nan 0.000 0.447 174 G N 0.368 109.089 108.800 -0.132 0.000 2.179 174 G HA2 -0.224 3.725 3.960 -0.019 0.000 0.260 174 G HA3 -0.224 3.725 3.960 -0.019 0.000 0.260 174 G C -0.083 174.864 174.900 0.078 0.000 0.977 174 G CA 0.571 45.767 45.100 0.161 0.000 0.641 174 G HN 0.503 nan 8.290 nan 0.000 0.533 175 L N 0.134 121.370 121.223 0.022 0.000 2.410 175 L HA 0.914 5.243 4.340 -0.019 0.000 0.270 175 L C -0.730 176.223 176.870 0.138 0.000 0.983 175 L CA -1.129 53.727 54.840 0.026 0.000 0.822 175 L CB 2.375 44.363 42.059 -0.117 0.000 1.285 175 L HN 0.614 nan 8.230 nan 0.000 0.409 176 V N 4.241 124.266 119.914 0.184 0.000 2.891 176 V HA 0.949 5.058 4.120 -0.019 0.000 0.304 176 V C -1.245 174.903 176.094 0.090 0.000 1.171 176 V CA 0.257 62.701 62.300 0.240 0.000 0.943 176 V CB 1.998 33.998 31.823 0.296 0.000 1.037 176 V HN 1.161 nan 8.190 nan 0.000 0.427 177 A N 5.573 128.445 122.820 0.087 0.000 2.365 177 A HA 0.937 5.246 4.320 -0.019 0.000 0.318 177 A C -1.819 175.729 177.584 -0.061 0.000 1.091 177 A CA -0.456 51.507 52.037 -0.123 0.000 0.763 177 A CB 1.411 20.277 19.000 -0.223 0.000 1.248 177 A HN 0.822 nan 8.150 nan 0.000 0.442 178 Y N 0.732 120.890 120.300 -0.236 0.000 2.360 178 Y HA 0.589 5.128 4.550 -0.018 0.000 0.337 178 Y C -0.016 175.753 175.900 -0.218 0.000 1.039 178 Y CA -1.623 56.309 58.100 -0.280 0.000 1.109 178 Y CB 1.568 39.820 38.460 -0.348 0.000 1.201 178 Y HN 0.341 nan 8.280 nan 0.000 0.458 179 V N 3.158 123.050 119.914 -0.038 0.000 2.588 179 V HA 0.225 4.334 4.120 -0.019 0.000 0.304 179 V C -0.610 175.443 176.094 -0.070 0.000 1.042 179 V CA -1.107 61.149 62.300 -0.073 0.000 0.877 179 V CB 2.189 33.951 31.823 -0.102 0.000 0.996 179 V HN 0.665 nan 8.190 nan 0.000 0.425 180 D N 3.273 123.637 120.400 -0.060 0.000 2.365 180 D HA 0.149 4.778 4.640 -0.019 0.000 0.237 180 D C 0.978 177.246 176.300 -0.052 0.000 1.190 180 D CA -0.175 53.793 54.000 -0.054 0.000 0.867 180 D CB 1.962 42.738 40.800 -0.040 0.000 1.050 180 D HN 0.461 nan 8.370 nan 0.000 0.491 181 V N 2.259 122.135 119.914 -0.064 0.000 3.380 181 V HA -0.045 4.064 4.120 -0.019 0.000 0.268 181 V C 1.509 177.586 176.094 -0.028 0.000 1.168 181 V CA 0.434 62.698 62.300 -0.060 0.000 1.156 181 V CB -0.177 31.586 31.823 -0.100 0.000 0.785 181 V HN 0.375 nan 8.190 nan 0.000 0.487 182 V N 1.386 121.293 119.914 -0.011 0.000 2.521 182 V HA -0.036 4.073 4.120 -0.019 0.000 0.239 182 V C 2.748 178.847 176.094 0.007 0.000 1.053 182 V CA 1.755 64.071 62.300 0.026 0.000 1.073 182 V CB -0.053 31.801 31.823 0.052 0.000 0.746 182 V HN 0.702 nan 8.190 nan 0.000 0.476 183 S N -0.874 114.822 115.700 -0.007 0.000 2.561 183 S HA -0.054 4.404 4.470 -0.019 0.000 0.225 183 S C 0.766 175.357 174.600 -0.014 0.000 0.977 183 S CA 0.019 58.213 58.200 -0.011 0.000 0.926 183 S CB -0.270 62.921 63.200 -0.015 0.000 0.769 183 S HN 0.486 nan 8.310 nan 0.000 0.533 184 K N 1.105 121.494 120.400 -0.018 0.000 3.244 184 K HA -0.137 4.172 4.320 -0.019 0.000 0.270 184 K C -0.929 175.652 176.600 -0.031 0.000 1.016 184 K CA 0.943 57.215 56.287 -0.024 0.000 0.754 184 K CB -2.390 30.102 32.500 -0.014 0.000 1.326 184 K HN 0.765 nan 8.250 nan 0.000 0.465 185 E N -0.361 119.817 120.200 -0.037 0.000 2.266 185 E HA 0.411 4.750 4.350 -0.019 0.000 0.268 185 E C -0.409 176.158 176.600 -0.055 0.000 0.879 185 E CA -1.088 55.289 56.400 -0.039 0.000 0.762 185 E CB 2.230 31.912 29.700 -0.030 0.000 1.199 185 E HN -0.040 nan 8.360 nan 0.000 0.422 186 V N 3.036 122.912 119.914 -0.062 0.000 2.339 186 V HA 0.002 4.111 4.120 -0.019 0.000 0.261 186 V C 1.408 177.463 176.094 -0.066 0.000 1.058 186 V CA 0.232 62.482 62.300 -0.083 0.000 0.897 186 V CB 0.401 32.166 31.823 -0.097 0.000 1.052 186 V HN 0.935 nan 8.190 nan 0.000 0.480 187 T N 2.393 116.911 114.554 -0.059 0.000 2.942 187 T HA 0.062 4.401 4.350 -0.019 0.000 0.265 187 T C 0.837 175.487 174.700 -0.083 0.000 1.062 187 T CA 0.549 62.620 62.100 -0.049 0.000 1.139 187 T CB 0.368 69.222 68.868 -0.023 0.000 0.883 187 T HN 0.488 nan 8.240 nan 0.000 0.468 188 R N -0.580 119.829 120.500 -0.151 0.000 2.629 188 R HA 0.569 4.898 4.340 -0.019 0.000 0.266 188 R C -2.486 173.621 176.300 -0.322 0.000 1.051 188 R CA -0.606 55.333 56.100 -0.268 0.000 0.895 188 R CB 2.429 32.464 30.300 -0.441 0.000 1.246 188 R HN 0.106 nan 8.270 nan 0.000 0.459 189 V N 5.413 125.196 119.914 -0.219 0.000 2.447 189 V HA 0.464 4.573 4.120 -0.019 0.000 0.292 189 V C -0.337 175.686 176.094 -0.118 0.000 1.021 189 V CA -0.577 61.660 62.300 -0.105 0.000 0.850 189 V CB 1.688 33.545 31.823 0.058 0.000 1.005 189 V HN 0.589 nan 8.190 nan 0.000 0.426 190 I N 4.091 124.572 120.570 -0.148 0.000 2.377 190 I HA 0.526 4.685 4.170 -0.019 0.000 0.293 190 I C -0.791 175.317 176.117 -0.014 0.000 0.987 190 I CA -0.163 61.080 61.300 -0.096 0.000 1.185 190 I CB 1.831 39.750 38.000 -0.135 0.000 1.341 190 I HN 0.518 nan 8.210 nan 0.000 0.455 191 D N 4.140 124.537 120.400 -0.004 0.000 2.542 191 D HA 0.192 4.820 4.640 -0.019 0.000 0.252 191 D C 0.567 176.883 176.300 0.027 0.000 1.222 191 D CA -0.355 53.650 54.000 0.009 0.000 0.895 191 D CB 1.736 42.526 40.800 -0.018 0.000 1.207 191 D HN 0.628 nan 8.370 nan 0.000 0.558 192 T N 0.310 114.903 114.554 0.065 0.000 3.044 192 T HA 0.500 4.839 4.350 -0.019 0.000 0.250 192 T C 0.967 175.702 174.700 0.059 0.000 1.081 192 T CA 0.290 62.436 62.100 0.077 0.000 1.040 192 T CB 0.462 69.405 68.868 0.125 0.000 0.962 192 T HN 0.608 nan 8.240 nan 0.000 0.506 193 G N 0.269 109.104 108.800 0.059 0.000 2.329 193 G HA2 0.334 4.283 3.960 -0.019 0.000 0.308 193 G HA3 0.334 4.283 3.960 -0.019 0.000 0.308 193 G C -1.293 173.618 174.900 0.020 0.000 1.587 193 G CA -0.832 44.258 45.100 -0.018 0.000 0.978 193 G HN 0.235 nan 8.290 nan 0.000 0.685 194 V N 0.778 120.656 119.914 -0.060 0.000 2.686 194 V HA 0.622 4.731 4.120 -0.019 0.000 0.295 194 V C -0.109 175.935 176.094 -0.084 0.000 1.055 194 V CA 0.300 62.587 62.300 -0.020 0.000 1.050 194 V CB 0.830 32.620 31.823 -0.054 0.000 0.984 194 V HN 0.548 nan 8.190 nan 0.000 0.482 195 F N 3.727 123.641 119.950 -0.061 0.000 2.565 195 F HA 0.551 5.067 4.527 -0.018 0.000 0.313 195 F C -2.058 173.714 175.800 -0.047 0.000 1.091 195 F CA -2.212 55.758 58.000 -0.051 0.000 0.915 195 F CB 1.920 40.888 39.000 -0.054 0.000 1.208 195 F HN 0.339 nan 8.300 nan 0.000 0.453 196 P HA 0.122 nan 4.420 nan 0.000 0.269 196 P C -0.973 176.382 177.300 0.092 0.000 1.209 196 P CA -0.168 62.983 63.100 0.085 0.000 0.776 196 P CB 0.584 32.326 31.700 0.071 0.000 0.876 197 V N 6.035 125.980 119.914 0.052 0.000 2.368 197 V HA 0.184 4.293 4.120 -0.019 0.000 0.266 197 V C -1.912 174.234 176.094 0.088 0.000 1.045 197 V CA -1.629 60.698 62.300 0.045 0.000 0.899 197 V CB 0.574 32.399 31.823 0.004 0.000 1.006 197 V HN 0.586 nan 8.190 nan 0.000 0.470 198 P HA -0.021 nan 4.420 nan 0.000 0.259 198 P C 0.453 177.917 177.300 0.273 0.000 1.163 198 P CA 0.446 63.628 63.100 0.136 0.000 0.760 198 P CB 0.716 32.456 31.700 0.066 0.000 0.762 199 A N 3.635 126.577 122.820 0.204 0.000 2.044 199 A HA 0.008 4.317 4.320 -0.019 0.000 0.213 199 A C 0.740 178.521 177.584 0.328 0.000 1.169 199 A CA 0.359 52.536 52.037 0.233 0.000 0.724 199 A CB -0.303 18.765 19.000 0.113 0.000 0.840 199 A HN 0.553 nan 8.150 nan 0.000 0.463 200 E N 1.219 121.555 120.200 0.226 0.000 2.384 200 E HA 0.227 4.566 4.350 -0.019 0.000 0.266 200 E C -0.255 176.510 176.600 0.275 0.000 1.012 200 E CA -0.186 56.321 56.400 0.178 0.000 0.901 200 E CB 0.366 30.132 29.700 0.110 0.000 0.967 200 E HN 0.736 nan 8.360 nan 0.000 0.435 201 H N 0.023 119.249 119.070 0.260 0.000 2.544 201 H HA 0.431 4.975 4.556 -0.019 0.000 0.365 201 H C 0.392 175.824 175.328 0.173 0.000 1.268 201 H CA -1.086 55.086 56.048 0.208 0.000 1.400 201 H CB 0.925 30.838 29.762 0.251 0.000 1.538 201 H HN 0.501 nan 8.280 nan 0.000 0.597 202 G N 0.856 109.907 108.800 0.418 0.000 4.864 202 G HA2 0.109 4.057 3.960 -0.019 0.000 0.280 202 G HA3 0.109 4.057 3.960 -0.019 0.000 0.280 202 G C -0.859 174.020 174.900 -0.035 0.000 1.239 202 G CA -0.752 44.458 45.100 0.183 0.000 0.951 202 G HN 0.741 nan 8.290 nan 0.000 0.583 203 N N 1.377 120.045 118.700 -0.053 0.000 2.663 203 N HA 0.180 4.909 4.740 -0.019 0.000 0.250 203 N C 0.841 176.190 175.510 -0.268 0.000 1.129 203 N CA -0.696 52.111 53.050 -0.404 0.000 0.995 203 N CB 0.292 38.446 38.487 -0.555 0.000 1.324 203 N HN 0.565 nan 8.380 nan 0.000 0.512 204 Y N -0.582 119.668 120.300 -0.084 0.000 2.716 204 Y HA -0.022 4.517 4.550 -0.018 0.000 0.302 204 Y C 1.253 177.126 175.900 -0.046 0.000 1.160 204 Y CA 0.165 58.221 58.100 -0.073 0.000 1.362 204 Y CB -0.386 37.999 38.460 -0.125 0.000 0.988 204 Y HN 0.195 nan 8.280 nan 0.000 0.546 205 T N -0.932 113.554 114.554 -0.115 0.000 3.023 205 T HA 0.009 4.348 4.350 -0.019 0.000 0.253 205 T C -0.205 174.474 174.700 -0.035 0.000 1.038 205 T CA 0.067 62.147 62.100 -0.034 0.000 0.962 205 T CB -0.196 68.629 68.868 -0.072 0.000 1.018 205 T HN 0.307 nan 8.240 nan 0.000 0.521 206 D N 1.929 122.295 120.400 -0.056 0.000 2.325 206 D HA 0.197 4.826 4.640 -0.019 0.000 0.251 206 D C -1.788 174.533 176.300 0.035 0.000 1.196 206 D CA -2.331 51.653 54.000 -0.025 0.000 0.866 206 D CB 1.650 42.397 40.800 -0.088 0.000 1.101 206 D HN -0.071 nan 8.370 nan 0.000 0.476 207 P HA -0.188 nan 4.420 nan 0.000 0.218 207 P C 1.033 178.367 177.300 0.056 0.000 1.146 207 P CA 0.812 63.933 63.100 0.036 0.000 0.813 207 P CB 0.164 31.877 31.700 0.021 0.000 0.778 208 E N -0.486 119.761 120.200 0.079 0.000 2.153 208 E HA -0.189 4.150 4.350 -0.019 0.000 0.194 208 E C 1.644 178.314 176.600 0.118 0.000 0.988 208 E CA 1.102 57.563 56.400 0.101 0.000 0.811 208 E CB -0.428 29.359 29.700 0.146 0.000 0.746 208 E HN 0.155 nan 8.360 nan 0.000 0.466 209 L N 0.729 122.050 121.223 0.163 0.000 2.200 209 L HA -0.025 4.304 4.340 -0.019 0.000 0.200 209 L C 2.643 179.569 176.870 0.094 0.000 1.072 209 L CA 2.205 57.138 54.840 0.156 0.000 0.787 209 L CB -0.787 41.444 42.059 0.288 0.000 0.957 209 L HN 0.211 nan 8.230 nan 0.000 0.459 210 T N -2.319 112.284 114.554 0.081 0.000 2.867 210 T HA 0.294 4.633 4.350 -0.019 0.000 0.268 210 T C 1.195 175.920 174.700 0.041 0.000 1.057 210 T CA 0.626 62.760 62.100 0.056 0.000 1.136 210 T CB -0.963 67.935 68.868 0.050 0.000 0.874 210 T HN 0.801 nan 8.240 nan 0.000 0.466 211 G N 1.826 110.651 108.800 0.041 0.000 2.782 211 G HA2 -0.047 3.902 3.960 -0.019 0.000 0.228 211 G HA3 -0.047 3.902 3.960 -0.019 0.000 0.228 211 G C -2.839 172.075 174.900 0.024 0.000 1.372 211 G CA -0.714 44.404 45.100 0.030 0.000 0.862 211 G HN 0.548 nan 8.290 nan 0.000 0.547 212 P HA 0.352 nan 4.420 nan 0.000 0.266 212 P C 0.416 177.724 177.300 0.013 0.000 1.195 212 P CA -0.188 62.920 63.100 0.014 0.000 0.768 212 P CB 0.379 32.086 31.700 0.011 0.000 0.838 213 L N 3.544 124.774 121.223 0.012 0.000 2.397 213 L HA 0.269 4.598 4.340 -0.019 0.000 0.271 213 L C 1.151 178.024 176.870 0.006 0.000 1.148 213 L CA -0.545 54.301 54.840 0.010 0.000 0.825 213 L CB 0.317 42.382 42.059 0.010 0.000 1.117 213 L HN 0.352 nan 8.230 nan 0.000 0.456 214 R N 0.582 121.085 120.500 0.004 0.000 2.583 214 R HA -0.014 4.315 4.340 -0.019 0.000 0.274 214 R C 0.873 177.174 176.300 0.001 0.000 0.998 214 R CA 0.597 56.698 56.100 0.002 0.000 1.081 214 R CB 0.178 30.477 30.300 -0.001 0.000 0.940 214 R HN 0.730 nan 8.270 nan 0.000 0.413 215 T N -3.520 111.034 114.554 0.001 0.000 3.084 215 T HA -0.009 4.330 4.350 -0.019 0.000 0.270 215 T C 1.303 176.002 174.700 -0.001 0.000 1.008 215 T CA 0.149 62.250 62.100 0.000 0.000 0.900 215 T CB 0.359 69.227 68.868 0.001 0.000 1.084 215 T HN 0.671 nan 8.240 nan 0.000 0.538 216 T N -0.525 114.028 114.554 -0.002 0.000 3.081 216 T HA 0.141 4.480 4.350 -0.019 0.000 0.255 216 T C 0.722 175.419 174.700 -0.004 0.000 1.113 216 T CA -0.069 62.029 62.100 -0.003 0.000 1.082 216 T CB -0.352 68.514 68.868 -0.004 0.000 0.939 216 T HN 0.400 nan 8.240 nan 0.000 0.506 217 Q N 2.056 121.854 119.800 -0.004 0.000 2.337 217 Q HA 0.278 4.607 4.340 -0.019 0.000 0.255 217 Q C -0.369 175.628 176.000 -0.004 0.000 0.997 217 Q CA -0.392 55.408 55.803 -0.005 0.000 0.925 217 Q CB 0.791 29.526 28.738 -0.006 0.000 1.212 217 Q HN 0.206 nan 8.270 nan 0.000 0.436 218 K N 3.376 123.774 120.400 -0.004 0.000 2.154 218 K HA 0.370 4.679 4.320 -0.019 0.000 0.264 218 K C -1.989 174.610 176.600 -0.002 0.000 1.008 218 K CA -1.735 54.551 56.287 -0.003 0.000 0.937 218 K CB 0.200 32.698 32.500 -0.003 0.000 1.002 218 K HN 0.488 nan 8.250 nan 0.000 0.469 219 P HA 0.238 nan 4.420 nan 0.000 0.271 219 P C -0.467 176.835 177.300 0.002 0.000 1.216 219 P CA -0.032 63.069 63.100 0.002 0.000 0.776 219 P CB 0.573 32.275 31.700 0.004 0.000 0.881 220 I N 1.425 121.997 120.570 0.004 0.000 2.390 220 I HA 0.110 4.269 4.170 -0.019 0.000 0.283 220 I C 0.437 176.560 176.117 0.011 0.000 1.016 220 I CA -0.493 60.810 61.300 0.006 0.000 1.151 220 I CB 1.494 39.497 38.000 0.005 0.000 1.293 220 I HN 0.287 nan 8.210 nan 0.000 0.458 221 S N 7.798 123.505 115.700 0.012 0.000 2.430 221 S HA 0.556 5.015 4.470 -0.019 0.000 0.289 221 S C -0.374 174.239 174.600 0.022 0.000 1.143 221 S CA -0.469 57.741 58.200 0.016 0.000 1.067 221 S CB 0.149 63.358 63.200 0.014 0.000 0.964 221 S HN 0.429 nan 8.310 nan 0.000 0.485 222 I N 5.323 125.909 120.570 0.028 0.000 2.330 222 I HA 0.329 4.488 4.170 -0.019 0.000 0.289 222 I C 0.049 176.190 176.117 0.040 0.000 1.001 222 I CA -0.316 61.008 61.300 0.040 0.000 1.193 222 I CB 1.647 39.678 38.000 0.052 0.000 1.345 222 I HN 0.483 nan 8.210 nan 0.000 0.461 223 T N 5.167 119.746 114.554 0.041 0.000 2.906 223 T HA 0.408 4.747 4.350 -0.019 0.000 0.295 223 T C -0.541 174.186 174.700 0.044 0.000 1.075 223 T CA -0.740 61.383 62.100 0.038 0.000 1.005 223 T CB 2.224 71.109 68.868 0.028 0.000 1.136 223 T HN 0.448 nan 8.240 nan 0.000 0.498 224 Q N 1.392 121.216 119.800 0.039 0.000 2.771 224 Q HA 0.225 4.554 4.340 -0.019 0.000 0.247 224 Q C -2.075 173.939 176.000 0.022 0.000 0.986 224 Q CA -1.809 54.017 55.803 0.038 0.000 0.713 224 Q CB 1.694 30.460 28.738 0.046 0.000 1.241 224 Q HN 0.358 nan 8.270 nan 0.000 0.488 225 P HA -0.216 nan 4.420 nan 0.000 0.217 225 P C 0.228 177.533 177.300 0.007 0.000 1.148 225 P CA 1.486 64.595 63.100 0.014 0.000 0.834 225 P CB 0.357 32.066 31.700 0.014 0.000 0.783 226 E N -1.300 118.903 120.200 0.006 0.000 2.501 226 E HA 0.359 4.698 4.350 -0.019 0.000 0.200 226 E C 0.736 177.327 176.600 -0.016 0.000 1.016 226 E CA 0.006 56.405 56.400 -0.002 0.000 0.921 226 E CB 0.222 29.923 29.700 0.001 0.000 1.034 226 E HN 0.140 nan 8.360 nan 0.000 0.468 227 G N 3.012 111.801 108.800 -0.019 0.000 2.756 227 G HA2 -0.180 3.769 3.960 -0.019 0.000 0.678 227 G HA3 -0.180 3.769 3.960 -0.019 0.000 0.678 227 G C -2.754 172.104 174.900 -0.071 0.000 1.349 227 G CA -0.936 44.133 45.100 -0.052 0.000 0.847 227 G HN -0.022 nan 8.290 nan 0.000 0.548 228 P HA 0.338 nan 4.420 nan 0.000 0.272 228 P C 0.622 177.812 177.300 -0.183 0.000 1.240 228 P CA 0.108 63.072 63.100 -0.226 0.000 0.791 228 P CB 1.153 32.422 31.700 -0.719 0.000 0.978 229 S N -0.245 115.487 115.700 0.052 0.000 2.558 229 S HA 0.120 4.579 4.470 -0.019 0.000 0.217 229 S C 0.692 175.452 174.600 0.268 0.000 0.975 229 S CA 0.079 58.376 58.200 0.162 0.000 0.912 229 S CB -0.734 62.619 63.200 0.255 0.000 0.776 229 S HN 0.550 nan 8.310 nan 0.000 0.526 230 F N 2.060 122.197 119.950 0.312 0.000 2.403 230 F HA 0.735 5.250 4.527 -0.019 0.000 0.326 230 F C 0.180 176.064 175.800 0.139 0.000 1.081 230 F CA -1.144 57.020 58.000 0.273 0.000 1.041 230 F CB 0.281 39.409 39.000 0.213 0.000 1.234 230 F HN -0.156 nan 8.300 nan 0.000 0.503 231 T N -0.125 114.604 114.554 0.292 0.000 2.856 231 T HA 0.719 5.058 4.350 -0.019 0.000 0.283 231 T C -0.979 173.872 174.700 0.252 0.000 1.008 231 T CA -0.812 61.390 62.100 0.171 0.000 0.997 231 T CB 1.418 70.363 68.868 0.129 0.000 0.992 231 T HN 0.655 nan 8.240 nan 0.000 0.454 232 V N 2.719 122.757 119.914 0.207 0.000 2.417 232 V HA 0.668 4.777 4.120 -0.019 0.000 0.291 232 V C 0.247 176.436 176.094 0.159 0.000 1.024 232 V CA -0.475 61.943 62.300 0.197 0.000 0.861 232 V CB 1.498 33.443 31.823 0.203 0.000 0.985 232 V HN 1.151 nan 8.190 nan 0.000 0.436 233 T N 2.696 117.362 114.554 0.186 0.000 2.912 233 T HA 0.614 4.953 4.350 -0.019 0.000 0.299 233 T C 0.624 175.422 174.700 0.165 0.000 1.052 233 T CA 0.426 62.629 62.100 0.171 0.000 0.996 233 T CB 1.524 70.514 68.868 0.203 0.000 1.070 233 T HN 1.387 nan 8.240 nan 0.000 0.465 234 G N 1.418 110.282 108.800 0.106 0.000 2.249 234 G HA2 -0.025 3.924 3.960 -0.019 0.000 0.273 234 G HA3 -0.025 3.924 3.960 -0.019 0.000 0.273 234 G C 1.241 176.200 174.900 0.098 0.000 1.036 234 G CA 1.043 46.196 45.100 0.088 0.000 0.824 234 G HN 1.862 nan 8.290 nan 0.000 0.504 235 G N -0.097 108.761 108.800 0.096 0.000 2.550 235 G HA2 -0.301 3.648 3.960 -0.019 0.000 0.233 235 G HA3 -0.301 3.648 3.960 -0.019 0.000 0.233 235 G C 0.949 175.909 174.900 0.100 0.000 1.170 235 G CA 1.251 46.404 45.100 0.089 0.000 0.693 235 G HN 2.199 nan 8.290 nan 0.000 0.512 236 N N -0.247 118.524 118.700 0.119 0.000 2.232 236 N HA 0.109 4.838 4.740 -0.019 0.000 0.240 236 N C -0.237 175.348 175.510 0.124 0.000 1.307 236 N CA 0.110 53.224 53.050 0.107 0.000 0.859 236 N CB -0.333 38.215 38.487 0.100 0.000 1.260 236 N HN 0.619 nan 8.380 nan 0.000 0.501 237 H N 1.623 120.736 119.070 0.071 0.000 2.652 237 H HA 0.284 4.829 4.556 -0.019 0.000 0.298 237 H C -0.734 174.644 175.328 0.084 0.000 1.076 237 H CA -0.304 55.784 56.048 0.067 0.000 1.360 237 H CB 0.905 30.707 29.762 0.067 0.000 1.421 237 H HN -0.029 nan 8.280 nan 0.000 0.464 238 I N 4.842 125.180 120.570 -0.386 0.000 2.392 238 I HA 0.221 4.380 4.170 -0.019 0.000 0.295 238 I C 0.178 176.156 176.117 -0.231 0.000 0.985 238 I CA -0.555 60.630 61.300 -0.192 0.000 1.221 238 I CB 1.504 39.408 38.000 -0.160 0.000 1.366 238 I HN 0.593 nan 8.210 nan 0.000 0.467 239 E N 5.504 125.730 120.200 0.043 0.000 2.244 239 E HA 0.304 4.643 4.350 -0.019 0.000 0.260 239 E C -1.754 175.034 176.600 0.314 0.000 0.884 239 E CA -0.531 55.949 56.400 0.134 0.000 0.777 239 E CB 2.681 32.465 29.700 0.140 0.000 1.197 239 E HN 0.607 nan 8.360 nan 0.000 0.416 240 W N 3.873 125.235 121.300 0.103 0.000 3.132 240 W HA 0.158 4.808 4.660 -0.018 0.000 0.337 240 W C -0.526 176.083 176.519 0.150 0.000 1.082 240 W CA -0.406 57.026 57.345 0.146 0.000 1.242 240 W CB 0.986 30.531 29.460 0.141 0.000 1.354 240 W HN 0.323 nan 8.180 nan 0.000 0.461 241 E N 6.208 126.111 120.200 -0.496 0.000 2.183 241 E HA -0.305 4.034 4.350 -0.019 0.000 0.196 241 E C 0.511 176.819 176.600 -0.487 0.000 1.364 241 E CA 1.729 57.736 56.400 -0.655 0.000 0.700 241 E CB -0.835 28.050 29.700 -1.359 0.000 1.106 241 E HN 0.761 nan 8.360 nan 0.000 0.347 242 K N -4.468 115.679 120.400 -0.422 0.000 3.578 242 K HA -0.241 4.068 4.320 -0.019 0.000 0.270 242 K C 0.365 176.559 176.600 -0.677 0.000 1.003 242 K CA 1.887 57.756 56.287 -0.696 0.000 1.128 242 K CB -1.805 29.863 32.500 -1.386 0.000 1.341 242 K HN 0.335 nan 8.250 nan 0.000 0.499 243 W N 1.767 122.848 121.300 -0.365 0.000 2.184 243 W HA 0.440 5.089 4.660 -0.018 0.000 0.338 243 W C 0.933 177.429 176.519 -0.038 0.000 1.257 243 W CA 0.119 57.401 57.345 -0.105 0.000 1.243 243 W CB 1.002 30.547 29.460 0.142 0.000 1.122 243 W HN 0.052 nan 8.180 nan 0.000 0.585 244 S N 3.515 119.383 115.700 0.280 0.000 2.546 244 S HA 0.815 5.274 4.470 -0.019 0.000 0.272 244 S C -1.148 173.485 174.600 0.055 0.000 1.140 244 S CA -0.764 57.498 58.200 0.104 0.000 0.920 244 S CB 0.190 63.478 63.200 0.146 0.000 1.083 244 S HN 0.587 nan 8.310 nan 0.000 0.476 245 L N 1.012 122.149 121.223 -0.143 0.000 3.020 245 L HA 0.732 5.061 4.340 -0.019 0.000 0.273 245 L C -2.163 174.607 176.870 -0.167 0.000 1.018 245 L CA -1.058 53.712 54.840 -0.117 0.000 0.950 245 L CB 1.612 43.598 42.059 -0.121 0.000 1.510 245 L HN 0.420 nan 8.230 nan 0.000 0.404 246 D N 1.455 121.821 120.400 -0.056 0.000 2.391 246 D HA 0.451 5.080 4.640 -0.019 0.000 0.245 246 D C -0.754 175.569 176.300 0.037 0.000 1.069 246 D CA -0.282 53.746 54.000 0.046 0.000 0.831 246 D CB 3.230 44.106 40.800 0.127 0.000 1.204 246 D HN 0.361 nan 8.370 nan 0.000 0.503 247 V N 2.393 122.322 119.914 0.025 0.000 2.339 247 V HA 0.404 4.512 4.120 -0.019 0.000 0.261 247 V C 1.015 177.169 176.094 0.100 0.000 1.058 247 V CA -0.336 61.965 62.300 0.000 0.000 0.897 247 V CB 0.901 32.705 31.823 -0.030 0.000 1.052 247 V HN 0.583 nan 8.190 nan 0.000 0.480 248 G N 3.215 112.103 108.800 0.147 0.000 2.511 248 G HA2 0.671 4.620 3.960 -0.019 0.000 0.316 248 G HA3 0.671 4.620 3.960 -0.019 0.000 0.316 248 G C -1.402 173.586 174.900 0.146 0.000 1.210 248 G CA -0.435 44.797 45.100 0.220 0.000 0.969 248 G HN 0.507 nan 8.290 nan 0.000 0.492 249 F N 0.099 120.031 119.950 -0.029 0.000 2.630 249 F HA 0.456 4.972 4.527 -0.019 0.000 0.325 249 F C -1.440 174.307 175.800 -0.089 0.000 1.184 249 F CA -0.917 57.013 58.000 -0.117 0.000 1.011 249 F CB 2.351 41.269 39.000 -0.137 0.000 1.268 249 F HN 0.544 nan 8.300 nan 0.000 0.480 250 D N 3.937 123.965 120.400 -0.620 0.000 2.481 250 D HA 0.322 4.950 4.640 -0.019 0.000 0.244 250 D C 0.293 176.264 176.300 -0.548 0.000 1.057 250 D CA -0.591 53.195 54.000 -0.358 0.000 0.848 250 D CB 2.440 43.139 40.800 -0.167 0.000 1.388 250 D HN 0.375 nan 8.370 nan 0.000 0.475 251 V N 4.223 124.008 119.914 -0.215 0.000 2.490 251 V HA -0.148 3.961 4.120 -0.019 0.000 0.250 251 V C 2.102 178.147 176.094 -0.082 0.000 1.061 251 V CA 2.269 64.493 62.300 -0.127 0.000 1.064 251 V CB -0.400 31.391 31.823 -0.054 0.000 0.670 251 V HN 0.650 nan 8.190 nan 0.000 0.461 252 R N -0.375 120.133 120.500 0.014 0.000 2.052 252 R HA -0.070 4.259 4.340 -0.019 0.000 0.226 252 R C 2.254 178.498 176.300 -0.093 0.000 1.145 252 R CA 1.798 57.886 56.100 -0.020 0.000 0.952 252 R CB -0.310 29.918 30.300 -0.121 0.000 0.847 252 R HN 0.588 nan 8.270 nan 0.000 0.431 253 E N -0.411 119.711 120.200 -0.130 0.000 2.285 253 E HA 0.096 4.434 4.350 -0.019 0.000 0.194 253 E C 0.800 177.194 176.600 -0.344 0.000 0.997 253 E CA 0.434 56.745 56.400 -0.149 0.000 0.845 253 E CB 0.315 29.976 29.700 -0.065 0.000 0.782 253 E HN 0.592 nan 8.360 nan 0.000 0.491 254 G N 0.690 109.069 108.800 -0.702 0.000 2.488 254 G HA2 -0.294 3.655 3.960 -0.019 0.000 0.237 254 G HA3 -0.294 3.655 3.960 -0.019 0.000 0.237 254 G C -0.104 174.106 174.900 -1.150 0.000 1.209 254 G CA -0.362 43.952 45.100 -1.311 0.000 0.929 254 G HN 0.109 nan 8.290 nan 0.000 0.578 255 V N 0.583 119.978 119.914 -0.865 0.000 2.599 255 V HA 0.409 4.518 4.120 -0.019 0.000 0.300 255 V C 0.821 176.812 176.094 -0.173 0.000 1.034 255 V CA 0.284 62.448 62.300 -0.227 0.000 1.115 255 V CB 0.953 32.853 31.823 0.128 0.000 0.934 255 V HN 0.916 nan 8.190 nan 0.000 0.485 256 V N 6.542 126.308 119.914 -0.248 0.000 2.656 256 V HA 0.485 4.594 4.120 -0.019 0.000 0.307 256 V C -0.278 175.484 176.094 -0.555 0.000 1.051 256 V CA -0.653 61.406 62.300 -0.402 0.000 0.893 256 V CB 2.010 33.615 31.823 -0.362 0.000 0.999 256 V HN 0.608 nan 8.190 nan 0.000 0.426 257 L N 4.855 125.626 121.223 -0.754 0.000 2.307 257 L HA 0.638 4.967 4.340 -0.019 0.000 0.284 257 L C -0.544 175.930 176.870 -0.660 0.000 1.023 257 L CA -0.574 53.866 54.840 -0.667 0.000 0.810 257 L CB 1.189 42.776 42.059 -0.786 0.000 1.231 257 L HN 0.622 nan 8.230 nan 0.000 0.423 258 H N 3.636 122.546 119.070 -0.267 0.000 2.569 258 H HA 0.287 4.832 4.556 -0.019 0.000 0.357 258 H C -0.212 174.914 175.328 -0.338 0.000 1.153 258 H CA -0.732 55.137 56.048 -0.299 0.000 1.193 258 H CB 1.924 31.478 29.762 -0.346 0.000 1.602 258 H HN 0.555 nan 8.280 nan 0.000 0.523 259 N N 1.300 119.863 118.700 -0.228 0.000 2.714 259 N HA -0.198 4.531 4.740 -0.019 0.000 0.253 259 N C -0.359 175.092 175.510 -0.097 0.000 1.024 259 N CA 0.482 53.406 53.050 -0.209 0.000 0.726 259 N CB -1.357 36.946 38.487 -0.308 0.000 0.908 259 N HN 0.550 nan 8.380 nan 0.000 0.542 260 I N 0.583 121.102 120.570 -0.085 0.000 2.505 260 I HA 0.250 4.409 4.170 -0.019 0.000 0.287 260 I C 0.990 177.173 176.117 0.109 0.000 1.104 260 I CA 0.243 61.558 61.300 0.025 0.000 1.387 260 I CB 0.538 38.530 38.000 -0.012 0.000 1.404 260 I HN 0.343 nan 8.210 nan 0.000 0.528 261 A N 6.837 129.791 122.820 0.224 0.000 2.566 261 A HA 0.797 5.106 4.320 -0.019 0.000 0.292 261 A C -1.592 176.155 177.584 0.271 0.000 1.112 261 A CA -0.443 51.715 52.037 0.202 0.000 0.707 261 A CB 1.526 20.595 19.000 0.114 0.000 1.302 261 A HN 0.499 nan 8.150 nan 0.000 0.409 262 F N 0.373 120.331 119.950 0.014 0.000 2.518 262 F HA 0.655 5.171 4.527 -0.018 0.000 0.323 262 F C 0.080 175.897 175.800 0.028 0.000 1.129 262 F CA -0.616 57.319 58.000 -0.107 0.000 0.920 262 F CB 1.930 40.787 39.000 -0.237 0.000 1.160 262 F HN 0.546 nan 8.300 nan 0.000 0.440 263 R N 3.400 123.876 120.500 -0.040 0.000 2.272 263 R HA 0.171 4.500 4.340 -0.019 0.000 0.334 263 R C -1.052 175.392 176.300 0.239 0.000 1.117 263 R CA -0.135 56.004 56.100 0.064 0.000 0.966 263 R CB -0.281 29.983 30.300 -0.060 0.000 1.049 263 R HN 0.360 nan 8.270 nan 0.000 0.477 264 D N 2.793 123.391 120.400 0.330 0.000 2.467 264 D HA 0.339 4.967 4.640 -0.019 0.000 0.220 264 D C 1.042 177.439 176.300 0.162 0.000 1.103 264 D CA 0.799 55.002 54.000 0.340 0.000 0.886 264 D CB 0.612 41.633 40.800 0.369 0.000 1.025 264 D HN 0.570 nan 8.370 nan 0.000 0.514 265 G N 4.787 113.659 108.800 0.119 0.000 2.557 265 G HA2 -0.332 3.617 3.960 -0.019 0.000 0.292 265 G HA3 -0.332 3.617 3.960 -0.019 0.000 0.292 265 G C 0.698 175.626 174.900 0.047 0.000 1.162 265 G CA 0.341 45.479 45.100 0.065 0.000 0.964 265 G HN 0.511 nan 8.290 nan 0.000 0.541 266 D N 1.811 122.234 120.400 0.037 0.000 2.360 266 D HA 0.166 4.795 4.640 -0.019 0.000 0.210 266 D C 1.431 177.750 176.300 0.031 0.000 1.047 266 D CA 0.688 54.705 54.000 0.028 0.000 0.854 266 D CB 0.120 40.931 40.800 0.018 0.000 0.936 266 D HN 0.738 nan 8.370 nan 0.000 0.514 267 R N 0.658 121.183 120.500 0.042 0.000 2.393 267 R HA 0.472 4.801 4.340 -0.019 0.000 0.310 267 R C -0.580 175.761 176.300 0.068 0.000 0.968 267 R CA -0.876 55.248 56.100 0.040 0.000 0.867 267 R CB 1.375 31.686 30.300 0.019 0.000 1.124 267 R HN -0.168 nan 8.270 nan 0.000 0.450 268 L N 3.864 125.122 121.223 0.059 0.000 2.325 268 L HA 0.282 4.611 4.340 -0.019 0.000 0.284 268 L C -0.496 176.423 176.870 0.082 0.000 1.089 268 L CA -0.079 54.809 54.840 0.079 0.000 0.836 268 L CB 0.359 42.454 42.059 0.061 0.000 1.184 268 L HN 0.623 nan 8.230 nan 0.000 0.444 269 R N 6.210 126.795 120.500 0.141 0.000 2.294 269 R HA 0.466 4.795 4.340 -0.019 0.000 0.319 269 R C -2.356 174.044 176.300 0.167 0.000 0.984 269 R CA -1.786 54.401 56.100 0.145 0.000 0.861 269 R CB 0.715 31.128 30.300 0.188 0.000 1.104 269 R HN 0.455 nan 8.270 nan 0.000 0.451 270 P HA 0.151 nan 4.420 nan 0.000 0.275 270 P C -0.053 177.243 177.300 -0.005 0.000 1.228 270 P CA -0.015 63.077 63.100 -0.013 0.000 0.786 270 P CB 0.898 32.508 31.700 -0.149 0.000 0.927 271 I N 0.598 121.110 120.570 -0.097 0.000 3.878 271 I HA 0.249 4.408 4.170 -0.019 0.000 0.273 271 I C 0.430 176.413 176.117 -0.224 0.000 1.165 271 I CA 0.309 61.457 61.300 -0.254 0.000 1.360 271 I CB 0.365 38.100 38.000 -0.441 0.000 1.539 271 I HN 0.141 nan 8.210 nan 0.000 0.447 272 I N 1.430 121.901 120.570 -0.166 0.000 2.478 272 I HA 0.163 4.322 4.170 -0.019 0.000 0.287 272 I C 0.642 176.676 176.117 -0.140 0.000 1.042 272 I CA -0.236 60.976 61.300 -0.146 0.000 1.067 272 I CB 2.074 39.991 38.000 -0.139 0.000 1.233 272 I HN 0.113 nan 8.210 nan 0.000 0.431 273 N N 5.436 124.070 118.700 -0.110 0.000 2.106 273 N HA -0.003 4.726 4.740 -0.019 0.000 0.188 273 N C 0.570 176.027 175.510 -0.089 0.000 1.029 273 N CA 1.093 54.101 53.050 -0.070 0.000 0.848 273 N CB 0.510 39.059 38.487 0.102 0.000 1.007 273 N HN 0.539 nan 8.380 nan 0.000 0.423 274 R N -0.217 120.210 120.500 -0.122 0.000 2.548 274 R HA 0.498 4.827 4.340 -0.019 0.000 0.280 274 R C -2.057 174.082 176.300 -0.268 0.000 1.061 274 R CA -0.519 55.456 56.100 -0.209 0.000 0.915 274 R CB 1.926 32.158 30.300 -0.114 0.000 1.210 274 R HN 0.073 nan 8.270 nan 0.000 0.442 275 A N 2.303 124.880 122.820 -0.405 0.000 2.343 275 A HA 0.707 5.016 4.320 -0.019 0.000 0.308 275 A C -1.087 176.229 177.584 -0.447 0.000 1.092 275 A CA -0.468 51.323 52.037 -0.410 0.000 0.751 275 A CB 1.530 20.156 19.000 -0.624 0.000 1.203 275 A HN 0.798 nan 8.150 nan 0.000 0.452 276 S N 1.436 117.059 115.700 -0.127 0.000 2.588 276 S HA 0.690 5.148 4.470 -0.019 0.000 0.269 276 S C -1.131 173.572 174.600 0.171 0.000 1.157 276 S CA -0.722 57.489 58.200 0.017 0.000 0.824 276 S CB 0.956 64.101 63.200 -0.092 0.000 1.126 276 S HN 0.534 nan 8.310 nan 0.000 0.464 277 I N 2.275 122.961 120.570 0.194 0.000 2.291 277 I HA 0.407 4.566 4.170 -0.019 0.000 0.290 277 I C 1.331 177.534 176.117 0.142 0.000 1.050 277 I CA -0.534 60.874 61.300 0.180 0.000 1.245 277 I CB 0.396 38.571 38.000 0.291 0.000 1.405 277 I HN 1.003 nan 8.210 nan 0.000 0.478 278 A N 5.255 128.147 122.820 0.119 0.000 2.123 278 A HA 0.078 4.387 4.320 -0.019 0.000 0.214 278 A C 0.770 178.425 177.584 0.117 0.000 1.152 278 A CA 0.935 53.070 52.037 0.163 0.000 0.728 278 A CB 0.123 19.238 19.000 0.191 0.000 0.814 278 A HN 0.649 nan 8.150 nan 0.000 0.464 279 E N -1.969 118.229 120.200 -0.003 0.000 2.401 279 E HA 0.585 4.924 4.350 -0.019 0.000 0.280 279 E C -1.241 175.341 176.600 -0.031 0.000 1.039 279 E CA -0.347 56.002 56.400 -0.085 0.000 0.814 279 E CB 1.030 30.472 29.700 -0.429 0.000 1.275 279 E HN 0.202 nan 8.360 nan 0.000 0.448 280 M N 4.180 123.776 119.600 -0.007 0.000 2.221 280 M HA 0.479 4.948 4.480 -0.019 0.000 0.259 280 M C -1.995 174.187 176.300 -0.196 0.000 1.001 280 M CA -0.749 54.428 55.300 -0.204 0.000 1.009 280 M CB 1.405 33.859 32.600 -0.243 0.000 1.939 280 M HN 0.381 nan 8.290 nan 0.000 0.477 281 V N 5.761 125.515 119.914 -0.267 0.000 2.513 281 V HA 0.732 4.841 4.120 -0.019 0.000 0.299 281 V C -1.215 174.624 176.094 -0.425 0.000 1.035 281 V CA -0.297 61.744 62.300 -0.432 0.000 0.889 281 V CB 2.169 33.614 31.823 -0.629 0.000 0.988 281 V HN 0.671 nan 8.190 nan 0.000 0.440 282 V N 8.848 128.561 119.914 -0.335 0.000 2.276 282 V HA 0.396 4.504 4.120 -0.019 0.000 0.268 282 V C -2.385 173.610 176.094 -0.165 0.000 1.032 282 V CA -1.336 60.766 62.300 -0.330 0.000 0.810 282 V CB 1.257 32.870 31.823 -0.350 0.000 1.060 282 V HN 0.804 nan 8.190 nan 0.000 0.446 283 P HA 0.318 nan 4.420 nan 0.000 0.279 283 P C -1.310 175.881 177.300 -0.182 0.000 1.239 283 P CA -0.255 62.771 63.100 -0.124 0.000 0.789 283 P CB 1.118 32.720 31.700 -0.163 0.000 0.933 284 Y N 0.432 120.683 120.300 -0.082 0.000 2.361 284 Y HA 0.474 5.013 4.550 -0.018 0.000 0.332 284 Y C 1.688 177.570 175.900 -0.029 0.000 1.101 284 Y CA 0.196 58.266 58.100 -0.050 0.000 1.137 284 Y CB 1.552 39.930 38.460 -0.137 0.000 1.207 284 Y HN 0.478 nan 8.280 nan 0.000 0.463 285 G N 1.095 109.958 108.800 0.104 0.000 3.605 285 G HA2 0.002 3.951 3.960 -0.019 0.000 0.277 285 G HA3 0.002 3.951 3.960 -0.019 0.000 0.277 285 G C -0.672 174.276 174.900 0.080 0.000 1.093 285 G CA -0.173 44.985 45.100 0.096 0.000 0.821 285 G HN 0.516 nan 8.290 nan 0.000 0.532 286 D N 1.193 121.628 120.400 0.059 0.000 2.313 286 D HA 0.247 4.876 4.640 -0.019 0.000 0.239 286 D C -1.145 175.143 176.300 -0.020 0.000 1.142 286 D CA -2.413 51.583 54.000 -0.006 0.000 0.847 286 D CB 2.202 42.998 40.800 -0.007 0.000 1.082 286 D HN 0.038 nan 8.370 nan 0.000 0.480 287 P HA -0.021 nan 4.420 nan 0.000 0.242 287 P C 0.284 177.580 177.300 -0.007 0.000 1.197 287 P CA -0.066 63.031 63.100 -0.005 0.000 0.765 287 P CB 0.112 31.819 31.700 0.012 0.000 0.936 288 S N 1.566 117.255 115.700 -0.019 0.000 2.537 288 S HA 0.118 4.577 4.470 -0.019 0.000 0.286 288 S C -1.334 173.275 174.600 0.015 0.000 1.299 288 S CA -0.976 57.224 58.200 0.000 0.000 1.067 288 S CB 0.344 63.529 63.200 -0.026 0.000 0.864 288 S HN -0.082 nan 8.310 nan 0.000 0.494 289 P HA -0.105 nan 4.420 nan 0.000 0.220 289 P C 1.188 178.636 177.300 0.246 0.000 1.144 289 P CA 0.720 63.907 63.100 0.145 0.000 0.800 289 P CB 0.036 31.825 31.700 0.148 0.000 0.772 290 I N -1.118 119.555 120.570 0.173 0.000 2.493 290 I HA -0.129 4.030 4.170 -0.019 0.000 0.254 290 I C 1.756 178.012 176.117 0.231 0.000 1.160 290 I CA 1.612 63.058 61.300 0.243 0.000 1.445 290 I CB -0.925 37.129 38.000 0.090 0.000 1.086 290 I HN 0.038 nan 8.210 nan 0.000 0.433 291 R N -0.655 119.768 120.500 -0.127 0.000 2.541 291 R HA 0.099 4.428 4.340 -0.019 0.000 0.332 291 R C 1.831 177.663 176.300 -0.779 0.000 0.951 291 R CA 0.458 56.184 56.100 -0.622 0.000 1.136 291 R CB 0.299 30.384 30.300 -0.358 0.000 1.449 291 R HN 0.266 nan 8.270 nan 0.000 0.531 292 S N 0.673 116.116 115.700 -0.429 0.000 2.584 292 S HA -0.098 4.360 4.470 -0.019 0.000 0.240 292 S C 1.204 175.571 174.600 -0.389 0.000 0.975 292 S CA 0.312 58.336 58.200 -0.293 0.000 0.949 292 S CB -0.372 62.755 63.200 -0.123 0.000 0.761 292 S HN 0.607 nan 8.310 nan 0.000 0.536 293 W N 0.251 121.360 121.300 -0.318 0.000 3.127 293 W HA 0.411 5.060 4.660 -0.018 0.000 0.344 293 W C 0.357 176.867 176.519 -0.016 0.000 1.151 293 W CA -0.725 56.321 57.345 -0.498 0.000 1.765 293 W CB -0.554 28.520 29.460 -0.643 0.000 1.085 293 W HN 0.268 nan 8.180 nan 0.000 0.596 294 Q N 2.986 122.291 119.800 -0.824 0.000 2.286 294 Q HA 0.112 4.441 4.340 -0.019 0.000 0.265 294 Q C -0.772 175.163 176.000 -0.108 0.000 1.080 294 Q CA 0.699 56.074 55.803 -0.713 0.000 0.906 294 Q CB 0.180 28.204 28.738 -1.190 0.000 1.227 294 Q HN 0.019 nan 8.270 nan 0.000 0.409 295 N N 4.763 123.489 118.700 0.044 0.000 2.599 295 N HA 0.105 4.834 4.740 -0.019 0.000 0.283 295 N C -1.877 173.736 175.510 0.171 0.000 1.160 295 N CA -0.396 52.735 53.050 0.135 0.000 0.869 295 N CB 0.938 39.530 38.487 0.174 0.000 1.448 295 N HN 0.437 nan 8.380 nan 0.000 0.535 296 Y N 1.028 121.358 120.300 0.049 0.000 2.365 296 Y HA 0.315 4.854 4.550 -0.018 0.000 0.340 296 Y C 0.297 176.221 175.900 0.040 0.000 1.016 296 Y CA -0.301 57.887 58.100 0.147 0.000 1.196 296 Y CB 0.302 38.723 38.460 -0.065 0.000 1.167 296 Y HN 0.353 nan 8.280 nan 0.000 0.509 297 F N 3.122 123.307 119.950 0.391 0.000 2.359 297 F HA 0.210 4.726 4.527 -0.019 0.000 0.355 297 F C 0.791 176.795 175.800 0.340 0.000 1.132 297 F CA -0.844 57.311 58.000 0.258 0.000 1.246 297 F CB 0.121 39.236 39.000 0.192 0.000 1.569 297 F HN 0.545 nan 8.300 nan 0.000 0.561 298 D N -0.135 120.454 120.400 0.313 0.000 2.172 298 D HA -0.194 4.434 4.640 -0.019 0.000 0.196 298 D C 2.007 178.507 176.300 0.332 0.000 0.999 298 D CA 1.908 56.068 54.000 0.267 0.000 0.856 298 D CB 0.028 40.862 40.800 0.057 0.000 0.934 298 D HN 0.373 nan 8.370 nan 0.000 0.453 299 T N -0.900 113.794 114.554 0.233 0.000 2.814 299 T HA 0.026 4.364 4.350 -0.019 0.000 0.254 299 T C 2.078 176.841 174.700 0.105 0.000 1.037 299 T CA 1.133 63.325 62.100 0.155 0.000 1.143 299 T CB -0.643 68.277 68.868 0.086 0.000 0.866 299 T HN 0.278 nan 8.240 nan 0.000 0.431 300 G N 1.086 109.956 108.800 0.117 0.000 2.402 300 G HA2 -0.133 3.816 3.960 -0.019 0.000 0.216 300 G HA3 -0.133 3.816 3.960 -0.019 0.000 0.216 300 G C 1.452 176.381 174.900 0.049 0.000 1.162 300 G CA 0.626 45.722 45.100 -0.007 0.000 0.777 300 G HN 0.490 nan 8.290 nan 0.000 0.539 301 E N -1.099 119.233 120.200 0.220 0.000 2.127 301 E HA 0.102 4.441 4.350 -0.019 0.000 0.191 301 E C 2.018 178.698 176.600 0.133 0.000 0.964 301 E CA 0.292 56.772 56.400 0.134 0.000 0.832 301 E CB 0.036 29.819 29.700 0.138 0.000 0.790 301 E HN 0.592 nan 8.360 nan 0.000 0.465 302 Y N 0.201 120.687 120.300 0.310 0.000 2.436 302 Y HA 0.225 4.764 4.550 -0.019 0.000 0.288 302 Y C 0.135 176.293 175.900 0.431 0.000 1.112 302 Y CA 0.043 58.409 58.100 0.444 0.000 1.220 302 Y CB 0.500 39.229 38.460 0.449 0.000 1.073 302 Y HN -0.162 nan 8.280 nan 0.000 0.552 303 L N 0.777 122.254 121.223 0.424 0.000 2.492 303 L HA -0.189 4.140 4.340 -0.019 0.000 0.668 303 L C 0.984 178.039 176.870 0.309 0.000 1.022 303 L CA -0.100 54.891 54.840 0.252 0.000 1.371 303 L CB -1.543 40.617 42.059 0.168 0.000 2.041 303 L HN 0.170 nan 8.230 nan 0.000 0.953 304 V N -0.282 119.793 119.914 0.269 0.000 2.490 304 V HA -0.111 3.998 4.120 -0.019 0.000 0.250 304 V C 2.155 178.428 176.094 0.299 0.000 1.061 304 V CA 2.216 64.718 62.300 0.336 0.000 1.064 304 V CB -0.512 31.471 31.823 0.268 0.000 0.670 304 V HN 0.866 nan 8.190 nan 0.000 0.461 305 G N -0.512 108.321 108.800 0.054 0.000 2.422 305 G HA2 -0.283 3.666 3.960 -0.019 0.000 0.218 305 G HA3 -0.283 3.666 3.960 -0.019 0.000 0.218 305 G C 1.560 176.574 174.900 0.190 0.000 1.140 305 G CA 0.841 45.931 45.100 -0.017 0.000 0.775 305 G HN 0.648 nan 8.290 nan 0.000 0.545 306 Q N -0.678 119.133 119.800 0.018 0.000 2.170 306 Q HA -0.124 4.204 4.340 -0.019 0.000 0.203 306 Q C 1.181 177.030 176.000 -0.251 0.000 0.976 306 Q CA 1.117 56.804 55.803 -0.194 0.000 0.858 306 Q CB -0.168 28.281 28.738 -0.482 0.000 0.907 306 Q HN 0.610 nan 8.270 nan 0.000 0.433 307 Y N -0.177 120.285 120.300 0.271 0.000 2.571 307 Y HA 0.433 4.971 4.550 -0.019 0.000 0.275 307 Y C 0.392 176.474 175.900 0.302 0.000 1.179 307 Y CA -0.296 57.962 58.100 0.264 0.000 1.242 307 Y CB -0.137 38.477 38.460 0.257 0.000 1.126 307 Y HN 0.085 nan 8.280 nan 0.000 0.524 308 A N 1.018 124.100 122.820 0.436 0.000 2.540 308 A HA 0.043 4.352 4.320 -0.019 0.000 0.239 308 A C 0.296 178.082 177.584 0.336 0.000 1.061 308 A CA -0.178 52.151 52.037 0.487 0.000 0.758 308 A CB -0.263 19.029 19.000 0.488 0.000 0.991 308 A HN 0.612 nan 8.150 nan 0.000 0.502 309 N N 0.731 119.633 118.700 0.337 0.000 2.483 309 N HA 0.315 5.044 4.740 -0.019 0.000 0.269 309 N C -0.393 175.211 175.510 0.157 0.000 1.209 309 N CA -0.354 52.829 53.050 0.222 0.000 0.969 309 N CB 0.675 39.280 38.487 0.197 0.000 1.173 309 N HN 0.540 nan 8.380 nan 0.000 0.475 310 S N 1.180 116.931 115.700 0.085 0.000 2.439 310 S HA 0.239 4.697 4.470 -0.019 0.000 0.282 310 S C -0.011 174.601 174.600 0.019 0.000 1.170 310 S CA -0.638 57.574 58.200 0.020 0.000 1.054 310 S CB 0.018 63.208 63.200 -0.017 0.000 0.956 310 S HN 0.261 nan 8.310 nan 0.000 0.490 311 L N 3.665 124.905 121.223 0.028 0.000 2.331 311 L HA 0.352 4.681 4.340 -0.019 0.000 0.278 311 L C 0.395 177.271 176.870 0.010 0.000 1.106 311 L CA -0.553 54.335 54.840 0.079 0.000 0.824 311 L CB 0.391 42.599 42.059 0.248 0.000 1.142 311 L HN 0.419 nan 8.230 nan 0.000 0.443 312 E N 3.289 123.511 120.200 0.035 0.000 2.174 312 E HA 0.244 4.583 4.350 -0.019 0.000 0.282 312 E C -0.541 176.118 176.600 0.099 0.000 0.992 312 E CA -0.978 55.437 56.400 0.025 0.000 0.803 312 E CB 2.017 31.719 29.700 0.003 0.000 1.090 312 E HN 0.275 nan 8.360 nan 0.000 0.396 313 L N 2.720 124.025 121.223 0.137 0.000 2.477 313 L HA 0.269 4.598 4.340 -0.019 0.000 0.272 313 L C 1.137 178.056 176.870 0.082 0.000 1.157 313 L CA 1.663 56.610 54.840 0.178 0.000 0.889 313 L CB -0.059 42.128 42.059 0.214 0.000 1.158 313 L HN 0.787 nan 8.230 nan 0.000 0.473 314 G N 2.398 111.232 108.800 0.056 0.000 2.793 314 G HA2 -0.293 3.656 3.960 -0.019 0.000 0.197 314 G HA3 -0.293 3.656 3.960 -0.019 0.000 0.197 314 G C 0.940 175.850 174.900 0.017 0.000 2.112 314 G CA 0.332 45.450 45.100 0.029 0.000 1.556 314 G HN 1.027 nan 8.290 nan 0.000 0.534 315 C N -0.333 118.976 119.300 0.015 0.000 2.527 315 C HA 0.436 4.885 4.460 -0.019 0.000 0.280 315 C C 1.969 176.958 174.990 -0.001 0.000 1.353 315 C CA 1.583 60.601 59.018 -0.000 0.000 1.749 315 C CB -0.379 27.352 27.740 -0.014 0.000 2.088 315 C HN 0.414 nan 8.230 nan 0.000 0.508 316 D N 0.481 120.891 120.400 0.016 0.000 2.149 316 D HA 0.074 4.703 4.640 -0.019 0.000 0.206 316 D C 0.176 176.515 176.300 0.065 0.000 0.967 316 D CA 1.205 55.223 54.000 0.029 0.000 0.848 316 D CB 0.156 40.985 40.800 0.048 0.000 0.998 316 D HN 0.502 nan 8.370 nan 0.000 0.474 317 c N 1.714 120.338 118.600 0.040 0.000 2.383 317 c HA 0.457 5.016 4.570 -0.019 0.000 0.330 317 c C -0.366 173.654 174.090 -0.116 0.000 1.168 317 c CA -1.134 55.148 56.329 -0.079 0.000 1.374 317 c CB 0.744 43.179 42.510 -0.126 0.000 2.014 317 c HN 0.160 nan 8.230 nan 0.000 0.439 318 L N 4.166 125.311 121.223 -0.130 0.000 2.307 318 L HA 0.938 5.267 4.340 -0.019 0.000 0.282 318 L C 0.562 177.375 176.870 -0.095 0.000 1.051 318 L CA 1.835 56.633 54.840 -0.071 0.000 0.804 318 L CB 0.785 42.836 42.059 -0.015 0.000 1.197 318 L HN 1.087 nan 8.230 nan 0.000 0.431 319 G N 3.499 112.278 108.800 -0.036 0.000 2.384 319 G HA2 -0.129 3.820 3.960 -0.019 0.000 0.204 319 G HA3 -0.129 3.820 3.960 -0.019 0.000 0.204 319 G C -1.172 173.730 174.900 0.003 0.000 1.237 319 G CA -0.238 44.865 45.100 0.006 0.000 1.060 319 G HN 0.729 nan 8.290 nan 0.000 0.514 320 D N 1.421 121.848 120.400 0.045 0.000 2.411 320 D HA 0.447 5.076 4.640 -0.019 0.000 0.225 320 D C 0.265 176.599 176.300 0.057 0.000 1.156 320 D CA -0.229 53.797 54.000 0.043 0.000 0.874 320 D CB 0.141 40.972 40.800 0.051 0.000 1.034 320 D HN 0.388 nan 8.370 nan 0.000 0.502 321 I N 2.392 122.939 120.570 -0.039 0.000 2.437 321 I HA 0.245 4.404 4.170 -0.019 0.000 0.298 321 I C 0.626 176.658 176.117 -0.141 0.000 0.984 321 I CA -0.536 60.671 61.300 -0.155 0.000 1.214 321 I CB 1.593 39.296 38.000 -0.494 0.000 1.365 321 I HN 0.124 nan 8.210 nan 0.000 0.469 322 T N 5.898 120.426 114.554 -0.045 0.000 2.786 322 T HA 0.519 4.858 4.350 -0.019 0.000 0.283 322 T C -0.603 174.060 174.700 -0.062 0.000 0.992 322 T CA -0.285 61.851 62.100 0.058 0.000 0.954 322 T CB 0.545 69.604 68.868 0.319 0.000 0.934 322 T HN 0.171 nan 8.240 nan 0.000 0.440 323 Y N 2.014 122.371 120.300 0.095 0.000 2.419 323 Y HA 0.654 5.193 4.550 -0.018 0.000 0.328 323 Y C 0.217 176.139 175.900 0.038 0.000 1.162 323 Y CA -1.257 56.878 58.100 0.057 0.000 1.174 323 Y CB 1.052 39.535 38.460 0.038 0.000 1.228 323 Y HN 0.366 nan 8.280 nan 0.000 0.473 324 L N 1.391 122.740 121.223 0.210 0.000 2.365 324 L HA 0.496 4.825 4.340 -0.019 0.000 0.273 324 L C -0.631 176.248 176.870 0.015 0.000 1.000 324 L CA -0.643 54.247 54.840 0.083 0.000 0.819 324 L CB 1.993 44.074 42.059 0.037 0.000 1.284 324 L HN 0.536 nan 8.230 nan 0.000 0.418 325 S N 3.476 119.157 115.700 -0.031 0.000 2.426 325 S HA 0.323 4.782 4.470 -0.019 0.000 0.236 325 S C -2.312 172.205 174.600 -0.139 0.000 1.368 325 S CA -1.051 57.092 58.200 -0.094 0.000 1.154 325 S CB 0.607 63.771 63.200 -0.059 0.000 1.037 325 S HN 0.390 nan 8.310 nan 0.000 0.481 326 P HA 0.200 nan 4.420 nan 0.000 0.272 326 P C -0.705 176.488 177.300 -0.178 0.000 1.223 326 P CA -0.275 62.656 63.100 -0.282 0.000 0.784 326 P CB 0.729 31.998 31.700 -0.718 0.000 0.923 327 V N 3.724 123.606 119.914 -0.054 0.000 2.513 327 V HA 0.475 4.584 4.120 -0.019 0.000 0.299 327 V C 0.723 176.843 176.094 0.044 0.000 1.035 327 V CA -0.575 61.720 62.300 -0.009 0.000 0.889 327 V CB 1.117 32.946 31.823 0.010 0.000 0.988 327 V HN 0.511 nan 8.190 nan 0.000 0.440 328 I N 0.739 121.330 120.570 0.034 0.000 3.294 328 I HA 0.819 4.978 4.170 -0.019 0.000 0.311 328 I C -0.135 175.984 176.117 0.003 0.000 1.111 328 I CA -0.690 60.635 61.300 0.040 0.000 0.976 328 I CB 2.283 40.318 38.000 0.057 0.000 1.260 328 I HN 0.518 nan 8.210 nan 0.000 0.474 329 S N 0.922 116.605 115.700 -0.028 0.000 2.578 329 S HA 0.390 4.849 4.470 -0.019 0.000 0.283 329 S C -0.607 173.970 174.600 -0.039 0.000 1.195 329 S CA -0.565 57.612 58.200 -0.038 0.000 1.050 329 S CB 0.751 63.910 63.200 -0.068 0.000 1.012 329 S HN 0.802 nan 8.310 nan 0.000 0.511 330 D N 2.510 122.898 120.400 -0.019 0.000 2.478 330 D HA 0.420 5.049 4.640 -0.019 0.000 0.269 330 D C 1.163 177.390 176.300 -0.122 0.000 1.232 330 D CA -0.183 53.796 54.000 -0.034 0.000 1.059 330 D CB 0.074 40.898 40.800 0.039 0.000 1.104 330 D HN 0.476 nan 8.370 nan 0.000 0.566 331 A N -1.148 121.505 122.820 -0.279 0.000 2.172 331 A HA -0.007 4.302 4.320 -0.019 0.000 0.216 331 A C 1.357 178.581 177.584 -0.600 0.000 1.154 331 A CA 0.683 52.436 52.037 -0.475 0.000 0.701 331 A CB -0.907 17.719 19.000 -0.623 0.000 0.789 331 A HN 0.452 nan 8.150 nan 0.000 0.465 332 F N -1.571 118.389 119.950 0.017 0.000 2.678 332 F HA 0.401 4.917 4.527 -0.018 0.000 0.305 332 F C 1.758 177.555 175.800 -0.006 0.000 1.090 332 F CA 0.139 58.144 58.000 0.008 0.000 1.272 332 F CB 0.127 39.131 39.000 0.007 0.000 1.060 332 F HN 0.292 nan 8.300 nan 0.000 0.576 333 G N 0.559 109.403 108.800 0.073 0.000 2.175 333 G HA2 -0.286 3.663 3.960 -0.019 0.000 0.244 333 G HA3 -0.286 3.663 3.960 -0.019 0.000 0.244 333 G C -0.047 174.868 174.900 0.025 0.000 0.982 333 G CA -0.296 44.820 45.100 0.027 0.000 0.641 333 G HN 0.421 nan 8.290 nan 0.000 0.527 334 N N 2.373 121.114 118.700 0.069 0.000 2.518 334 N HA 0.521 5.250 4.740 -0.019 0.000 0.283 334 N C -2.279 173.245 175.510 0.022 0.000 1.119 334 N CA -1.156 51.923 53.050 0.047 0.000 0.983 334 N CB 1.553 40.088 38.487 0.081 0.000 1.139 334 N HN 0.138 nan 8.380 nan 0.000 0.465 335 P HA 0.081 nan 4.420 nan 0.000 0.275 335 P C -0.981 176.325 177.300 0.011 0.000 1.227 335 P CA -0.037 63.063 63.100 -0.001 0.000 0.781 335 P CB 0.928 32.623 31.700 -0.009 0.000 0.906 336 R N 2.378 122.883 120.500 0.009 0.000 2.502 336 R HA 0.233 4.562 4.340 -0.019 0.000 0.300 336 R C -0.509 175.789 176.300 -0.002 0.000 0.984 336 R CA -0.546 55.560 56.100 0.011 0.000 0.882 336 R CB 1.592 31.903 30.300 0.018 0.000 1.180 336 R HN 0.591 nan 8.270 nan 0.000 0.444 337 E N 4.994 125.188 120.200 -0.010 0.000 2.249 337 E HA 0.211 4.550 4.350 -0.019 0.000 0.280 337 E C -0.553 176.021 176.600 -0.042 0.000 1.016 337 E CA -0.432 55.949 56.400 -0.032 0.000 0.830 337 E CB 0.926 30.609 29.700 -0.028 0.000 1.081 337 E HN 0.523 nan 8.360 nan 0.000 0.395 338 I N 4.923 125.442 120.570 -0.085 0.000 2.316 338 I HA 0.205 4.364 4.170 -0.019 0.000 0.286 338 I C 0.133 176.189 176.117 -0.100 0.000 1.107 338 I CA -0.682 60.566 61.300 -0.086 0.000 1.219 338 I CB 0.450 38.366 38.000 -0.140 0.000 1.455 338 I HN 0.388 nan 8.210 nan 0.000 0.498 339 R N 5.968 126.424 120.500 -0.073 0.000 2.480 339 R HA -0.005 4.324 4.340 -0.019 0.000 0.303 339 R C 0.428 176.647 176.300 -0.136 0.000 0.985 339 R CA 0.564 56.607 56.100 -0.094 0.000 1.051 339 R CB -0.132 30.119 30.300 -0.082 0.000 0.935 339 R HN 0.562 nan 8.270 nan 0.000 0.410 340 N N 2.327 120.924 118.700 -0.172 0.000 2.740 340 N HA -0.171 4.558 4.740 -0.019 0.000 0.248 340 N C 0.504 175.987 175.510 -0.044 0.000 1.062 340 N CA 1.254 54.146 53.050 -0.264 0.000 0.704 340 N CB -1.338 36.705 38.487 -0.740 0.000 0.968 340 N HN 0.848 nan 8.380 nan 0.000 0.547 341 G N -1.012 107.772 108.800 -0.027 0.000 2.712 341 G HA2 0.245 4.194 3.960 -0.019 0.000 0.212 341 G HA3 0.245 4.194 3.960 -0.019 0.000 0.212 341 G C 0.519 175.492 174.900 0.122 0.000 1.142 341 G CA 0.246 45.354 45.100 0.015 0.000 0.789 341 G HN 0.452 nan 8.290 nan 0.000 0.535 342 I N 0.252 120.907 120.570 0.142 0.000 2.466 342 I HA 0.306 4.465 4.170 -0.019 0.000 0.289 342 I C -0.809 175.450 176.117 0.237 0.000 1.026 342 I CA -0.896 60.516 61.300 0.186 0.000 1.078 342 I CB 2.458 40.506 38.000 0.081 0.000 1.249 342 I HN -0.205 nan 8.210 nan 0.000 0.429 343 c N 6.938 125.645 118.600 0.178 0.000 2.341 343 c HA 0.679 5.238 4.570 -0.019 0.000 0.338 343 c C 0.039 174.145 174.090 0.026 0.000 1.257 343 c CA -0.437 55.915 56.329 0.039 0.000 1.883 343 c CB 0.680 43.236 42.510 0.076 0.000 2.334 343 c HN 0.666 nan 8.230 nan 0.000 0.524 344 M N 5.914 125.486 119.600 -0.046 0.000 2.213 344 M HA 0.463 4.931 4.480 -0.019 0.000 0.286 344 M C -0.764 175.499 176.300 -0.062 0.000 1.008 344 M CA -0.131 55.078 55.300 -0.152 0.000 0.937 344 M CB 1.700 34.139 32.600 -0.269 0.000 1.600 344 M HN 0.939 nan 8.290 nan 0.000 0.450 345 H N 1.057 119.916 119.070 -0.351 0.000 2.967 345 H HA 0.510 5.055 4.556 -0.018 0.000 0.318 345 H C -2.004 173.198 175.328 -0.211 0.000 1.375 345 H CA -1.111 54.879 56.048 -0.098 0.000 1.132 345 H CB 1.004 30.768 29.762 0.002 0.000 1.848 345 H HN 0.705 nan 8.280 nan 0.000 0.524 346 E N 0.925 121.102 120.200 -0.037 0.000 2.195 346 E HA 0.505 4.844 4.350 -0.019 0.000 0.271 346 E C -0.918 175.679 176.600 -0.005 0.000 0.923 346 E CA -0.964 55.321 56.400 -0.192 0.000 0.790 346 E CB 2.658 32.405 29.700 0.080 0.000 1.155 346 E HN 0.702 nan 8.360 nan 0.000 0.402 347 E N 2.068 122.237 120.200 -0.052 0.000 2.288 347 E HA 0.268 4.607 4.350 -0.019 0.000 0.268 347 E C -1.262 175.451 176.600 0.189 0.000 0.885 347 E CA -1.056 55.406 56.400 0.102 0.000 0.767 347 E CB 1.616 31.381 29.700 0.108 0.000 1.220 347 E HN 0.545 nan 8.360 nan 0.000 0.427 348 D N 1.523 122.048 120.400 0.208 0.000 2.443 348 D HA -0.090 4.539 4.640 -0.019 0.000 0.239 348 D C -0.929 175.574 176.300 0.339 0.000 1.136 348 D CA 0.149 54.282 54.000 0.223 0.000 0.879 348 D CB 0.519 41.399 40.800 0.133 0.000 1.195 348 D HN 0.518 nan 8.370 nan 0.000 0.443 349 W N 5.942 127.283 121.300 0.068 0.000 1.513 349 W HA 0.371 5.019 4.660 -0.019 0.000 0.311 349 W C 0.329 176.880 176.519 0.055 0.000 0.821 349 W CA 0.081 57.467 57.345 0.067 0.000 2.622 349 W CB 0.048 29.597 29.460 0.148 0.000 1.907 349 W HN 0.847 nan 8.180 nan 0.000 0.562 350 G N 1.922 110.649 108.800 -0.123 0.000 2.552 350 G HA2 -0.328 3.621 3.960 -0.019 0.000 0.265 350 G HA3 -0.328 3.621 3.960 -0.019 0.000 0.265 350 G C -0.427 174.446 174.900 -0.044 0.000 1.234 350 G CA -0.061 44.944 45.100 -0.159 0.000 0.944 350 G HN 0.068 nan 8.290 nan 0.000 0.568 351 I N 1.405 121.941 120.570 -0.057 0.000 2.395 351 I HA 0.277 4.436 4.170 -0.019 0.000 0.289 351 I C 1.531 177.671 176.117 0.038 0.000 1.023 351 I CA -0.206 61.087 61.300 -0.012 0.000 1.350 351 I CB 0.923 38.908 38.000 -0.025 0.000 1.409 351 I HN 0.628 nan 8.210 nan 0.000 0.507 352 L N 6.458 127.718 121.223 0.061 0.000 2.189 352 L HA 0.460 4.789 4.340 -0.019 0.000 0.199 352 L C 0.622 177.545 176.870 0.088 0.000 1.074 352 L CA 1.114 56.014 54.840 0.099 0.000 0.783 352 L CB 0.054 42.176 42.059 0.105 0.000 0.955 352 L HN 0.704 nan 8.230 nan 0.000 0.460 353 A N -0.582 122.291 122.820 0.088 0.000 2.574 353 A HA 0.665 4.974 4.320 -0.019 0.000 0.297 353 A C -1.106 176.574 177.584 0.161 0.000 1.062 353 A CA -0.600 51.525 52.037 0.146 0.000 0.686 353 A CB 1.176 20.321 19.000 0.241 0.000 1.285 353 A HN 0.064 nan 8.150 nan 0.000 0.403 354 K N 0.833 121.348 120.400 0.192 0.000 2.561 354 K HA 0.566 4.875 4.320 -0.019 0.000 0.254 354 K C -2.180 174.568 176.600 0.246 0.000 0.942 354 K CA -0.492 55.910 56.287 0.193 0.000 0.818 354 K CB 1.729 34.275 32.500 0.076 0.000 1.306 354 K HN 1.043 nan 8.250 nan 0.000 0.435 355 H N 0.315 119.471 119.070 0.144 0.000 3.087 355 H HA 0.381 4.926 4.556 -0.019 0.000 0.348 355 H C -1.853 173.505 175.328 0.050 0.000 1.092 355 H CA -0.334 55.749 56.048 0.059 0.000 1.285 355 H CB 1.897 31.667 29.762 0.015 0.000 1.875 355 H HN 0.406 nan 8.280 nan 0.000 0.512 356 S N 4.070 119.392 115.700 -0.631 0.000 2.520 356 S HA 0.157 4.615 4.470 -0.019 0.000 0.324 356 S C -0.806 173.356 174.600 -0.729 0.000 1.069 356 S CA -0.656 57.276 58.200 -0.446 0.000 1.121 356 S CB 0.422 63.471 63.200 -0.251 0.000 0.971 356 S HN 0.651 nan 8.310 nan 0.000 0.463 357 D N 2.178 122.293 120.400 -0.476 0.000 2.280 357 D HA 0.285 4.914 4.640 -0.019 0.000 0.243 357 D C 0.957 177.170 176.300 -0.145 0.000 1.129 357 D CA -0.571 53.275 54.000 -0.256 0.000 0.848 357 D CB 0.896 41.745 40.800 0.082 0.000 1.107 357 D HN 0.269 nan 8.370 nan 0.000 0.471 358 L N 5.522 126.615 121.223 -0.217 0.000 2.005 358 L HA -0.024 4.305 4.340 -0.019 0.000 0.207 358 L C 1.469 178.360 176.870 0.036 0.000 1.072 358 L CA 1.551 56.304 54.840 -0.145 0.000 0.744 358 L CB -0.436 41.464 42.059 -0.265 0.000 0.895 358 L HN 0.590 nan 8.230 nan 0.000 0.433 359 W N 0.013 121.325 121.300 0.020 0.000 2.338 359 W HA -0.153 4.502 4.660 -0.007 0.000 0.304 359 W C 2.983 179.511 176.519 0.015 0.000 1.212 359 W CA 1.645 59.001 57.345 0.018 0.000 1.264 359 W CB -1.824 27.649 29.460 0.023 0.000 1.142 359 W HN 0.553 nan 8.180 nan 0.000 0.512 360 S N -1.207 114.636 115.700 0.238 0.000 2.486 360 S HA 0.307 4.766 4.470 -0.019 0.000 0.220 360 S C 1.749 176.404 174.600 0.091 0.000 1.011 360 S CA 0.796 59.082 58.200 0.144 0.000 0.921 360 S CB -0.067 63.207 63.200 0.123 0.000 0.785 360 S HN 0.449 nan 8.310 nan 0.000 0.517 361 G N 1.152 109.994 108.800 0.070 0.000 2.148 361 G HA2 -0.228 3.721 3.960 -0.019 0.000 0.254 361 G HA3 -0.228 3.721 3.960 -0.019 0.000 0.254 361 G C -0.045 174.870 174.900 0.025 0.000 0.981 361 G CA 0.354 45.475 45.100 0.036 0.000 0.670 361 G HN 0.599 nan 8.290 nan 0.000 0.528 362 I N 0.995 121.585 120.570 0.034 0.000 2.359 362 I HA 0.319 4.478 4.170 -0.019 0.000 0.294 362 I C -0.547 175.588 176.117 0.029 0.000 0.987 362 I CA -0.913 60.414 61.300 0.044 0.000 1.225 362 I CB 1.286 39.326 38.000 0.067 0.000 1.366 362 I HN -0.053 nan 8.210 nan 0.000 0.466 363 N N 6.354 125.077 118.700 0.040 0.000 2.417 363 N HA 0.294 5.023 4.740 -0.019 0.000 0.274 363 N C -1.339 174.244 175.510 0.122 0.000 0.987 363 N CA -0.439 52.630 53.050 0.031 0.000 0.912 363 N CB 1.774 40.256 38.487 -0.008 0.000 1.177 363 N HN 0.471 nan 8.380 nan 0.000 0.490 364 Y N 1.150 121.445 120.300 -0.008 0.000 2.376 364 Y HA 0.515 5.055 4.550 -0.016 0.000 0.340 364 Y C -0.895 175.014 175.900 0.014 0.000 0.965 364 Y CA -0.299 57.810 58.100 0.015 0.000 1.078 364 Y CB 1.572 40.059 38.460 0.044 0.000 1.193 364 Y HN 0.324 nan 8.280 nan 0.000 0.452 365 T N 6.944 121.300 114.554 -0.329 0.000 3.071 365 T HA 0.537 4.876 4.350 -0.019 0.000 0.311 365 T C -1.259 173.193 174.700 -0.413 0.000 1.042 365 T CA -0.980 60.962 62.100 -0.263 0.000 1.028 365 T CB 1.047 69.845 68.868 -0.117 0.000 1.068 365 T HN 0.422 nan 8.240 nan 0.000 0.451 366 R N 1.887 122.199 120.500 -0.313 0.000 2.686 366 R HA 0.557 4.886 4.340 -0.019 0.000 0.286 366 R C -0.394 175.864 176.300 -0.070 0.000 0.969 366 R CA -0.855 55.112 56.100 -0.222 0.000 0.898 366 R CB 2.219 32.386 30.300 -0.221 0.000 1.183 366 R HN 0.543 nan 8.270 nan 0.000 0.456 367 R N 1.146 121.629 120.500 -0.029 0.000 2.486 367 R HA 0.335 4.664 4.340 -0.019 0.000 0.286 367 R C 0.105 176.463 176.300 0.095 0.000 0.999 367 R CA -0.845 55.272 56.100 0.029 0.000 0.993 367 R CB 1.052 31.369 30.300 0.028 0.000 1.084 367 R HN 0.382 nan 8.270 nan 0.000 0.487 368 N N 1.232 120.026 118.700 0.157 0.000 2.482 368 N HA 0.354 5.082 4.740 -0.019 0.000 0.279 368 N C -1.066 174.652 175.510 0.345 0.000 1.182 368 N CA -0.543 52.672 53.050 0.275 0.000 0.969 368 N CB 1.062 39.768 38.487 0.364 0.000 1.201 368 N HN 0.566 nan 8.380 nan 0.000 0.523 369 R N -0.721 120.034 120.500 0.425 0.000 2.734 369 R HA 0.608 4.937 4.340 -0.019 0.000 0.271 369 R C -1.130 175.422 176.300 0.420 0.000 1.021 369 R CA -1.061 55.297 56.100 0.430 0.000 0.893 369 R CB 1.435 31.986 30.300 0.419 0.000 1.244 369 R HN 0.650 nan 8.270 nan 0.000 0.464 370 R N 1.051 121.593 120.500 0.071 0.000 2.725 370 R HA 0.536 4.865 4.340 -0.019 0.000 0.277 370 R C -1.225 174.573 176.300 -0.836 0.000 0.987 370 R CA -1.135 54.690 56.100 -0.458 0.000 0.901 370 R CB 1.766 31.394 30.300 -1.121 0.000 1.207 370 R HN 0.550 nan 8.270 nan 0.000 0.463 371 M N 2.627 121.366 119.600 -1.435 0.000 2.180 371 M HA 0.307 4.775 4.480 -0.019 0.000 0.358 371 M C -1.448 174.339 176.300 -0.856 0.000 1.233 371 M CA -0.577 53.842 55.300 -1.469 0.000 1.114 371 M CB 1.565 33.136 32.600 -1.716 0.000 1.594 371 M HN 0.533 nan 8.290 nan 0.000 0.467 372 V N 7.050 126.517 119.914 -0.746 0.000 2.495 372 V HA 0.589 4.698 4.120 -0.019 0.000 0.298 372 V C -0.515 175.358 176.094 -0.368 0.000 1.031 372 V CA -0.611 61.412 62.300 -0.462 0.000 0.871 372 V CB 1.680 33.200 31.823 -0.506 0.000 0.988 372 V HN 0.790 nan 8.190 nan 0.000 0.432 373 I N 4.378 124.829 120.570 -0.199 0.000 2.468 373 I HA 0.635 4.794 4.170 -0.019 0.000 0.285 373 I C -0.162 175.974 176.117 0.032 0.000 1.039 373 I CA 0.040 61.288 61.300 -0.087 0.000 1.074 373 I CB 1.996 39.939 38.000 -0.095 0.000 1.228 373 I HN 0.800 nan 8.210 nan 0.000 0.436 374 S N 5.410 121.138 115.700 0.047 0.000 2.638 374 S HA 0.882 5.341 4.470 -0.019 0.000 0.274 374 S C -0.948 173.757 174.600 0.176 0.000 1.157 374 S CA -0.755 57.417 58.200 -0.047 0.000 0.826 374 S CB 2.592 65.451 63.200 -0.568 0.000 1.139 374 S HN 0.546 nan 8.310 nan 0.000 0.474 375 F N -1.246 118.668 119.950 -0.061 0.000 2.668 375 F HA 0.883 5.399 4.527 -0.019 0.000 0.309 375 F C -2.221 173.677 175.800 0.164 0.000 1.117 375 F CA -1.622 56.451 58.000 0.122 0.000 0.951 375 F CB 0.828 39.959 39.000 0.219 0.000 1.323 375 F HN 0.621 nan 8.300 nan 0.000 0.451 376 F N 0.851 120.827 119.950 0.043 0.000 2.551 376 F HA 0.720 5.235 4.527 -0.019 0.000 0.316 376 F C -0.107 175.807 175.800 0.189 0.000 1.089 376 F CA -0.410 57.586 58.000 -0.006 0.000 0.915 376 F CB 2.402 41.432 39.000 0.050 0.000 1.186 376 F HN 0.865 nan 8.300 nan 0.000 0.456 377 T N 1.668 116.457 114.554 0.391 0.000 2.906 377 T HA 0.627 4.966 4.350 -0.019 0.000 0.295 377 T C -1.254 173.680 174.700 0.391 0.000 1.075 377 T CA -0.361 62.019 62.100 0.467 0.000 1.005 377 T CB 1.395 70.586 68.868 0.538 0.000 1.136 377 T HN 0.555 nan 8.240 nan 0.000 0.498 378 T N 4.334 119.081 114.554 0.323 0.000 2.809 378 T HA 0.533 4.872 4.350 -0.019 0.000 0.284 378 T C -0.662 174.071 174.700 0.055 0.000 0.992 378 T CA -0.570 61.623 62.100 0.154 0.000 0.957 378 T CB 0.550 69.488 68.868 0.118 0.000 0.942 378 T HN 0.408 nan 8.240 nan 0.000 0.439 379 I N 3.957 124.505 120.570 -0.036 0.000 2.557 379 I HA 0.377 4.535 4.170 -0.019 0.000 0.277 379 I C 1.332 177.331 176.117 -0.196 0.000 1.106 379 I CA 0.096 61.301 61.300 -0.159 0.000 1.180 379 I CB -0.371 37.561 38.000 -0.114 0.000 1.392 379 I HN 0.977 nan 8.210 nan 0.000 0.506 380 G N 6.689 115.395 108.800 -0.156 0.000 2.675 380 G HA2 -0.324 3.625 3.960 -0.019 0.000 0.312 380 G HA3 -0.324 3.625 3.960 -0.019 0.000 0.312 380 G C 0.495 175.311 174.900 -0.139 0.000 1.186 380 G CA 0.528 45.613 45.100 -0.024 0.000 0.965 380 G HN 0.628 nan 8.290 nan 0.000 0.548 384 Y N 0.303 120.609 120.300 0.010 0.000 2.376 384 Y HA 0.707 5.246 4.550 -0.019 0.000 0.340 384 Y C 0.801 176.062 175.900 -1.066 0.000 0.965 384 Y CA -1.092 56.770 58.100 -0.396 0.000 1.078 384 Y CB 2.464 40.791 38.460 -0.222 0.000 1.193 384 Y HN 0.447 nan 8.280 nan 0.000 0.452 385 G N 2.326 110.279 108.800 -1.411 0.000 2.379 385 G HA2 0.589 4.538 3.960 -0.019 0.000 0.327 385 G HA3 0.589 4.538 3.960 -0.019 0.000 0.327 385 G C -1.651 172.717 174.900 -0.888 0.000 1.145 385 G CA -0.431 43.741 45.100 -1.547 0.000 0.905 385 G HN 0.351 nan 8.290 nan 0.000 0.466 386 F N 1.357 120.771 119.950 -0.893 0.000 2.402 386 F HA 0.482 4.998 4.527 -0.019 0.000 0.355 386 F C -0.693 174.732 175.800 -0.625 0.000 1.123 386 F CA -0.779 56.931 58.000 -0.483 0.000 1.021 386 F CB 1.817 40.713 39.000 -0.173 0.000 1.160 386 F HN 0.309 nan 8.300 nan 0.000 0.451 387 Y N 1.442 121.342 120.300 -0.668 0.000 2.361 387 Y HA 0.436 4.975 4.550 -0.019 0.000 0.337 387 Y C -1.061 174.149 175.900 -1.150 0.000 0.965 387 Y CA -1.434 56.209 58.100 -0.762 0.000 1.091 387 Y CB 1.429 39.372 38.460 -0.862 0.000 1.182 387 Y HN 0.527 nan 8.280 nan 0.000 0.450 388 W N 3.250 124.236 121.300 -0.524 0.000 2.573 388 W HA 0.628 5.277 4.660 -0.019 0.000 0.326 388 W C -1.423 174.675 176.519 -0.701 0.000 1.049 388 W CA -0.720 56.347 57.345 -0.464 0.000 1.220 388 W CB 1.237 30.585 29.460 -0.186 0.000 1.373 388 W HN 0.318 nan 8.180 nan 0.000 0.507 389 Y N 2.725 122.942 120.300 -0.138 0.000 2.462 389 Y HA 0.643 5.182 4.550 -0.019 0.000 0.346 389 Y C -0.370 175.235 175.900 -0.491 0.000 0.976 389 Y CA -1.644 56.178 58.100 -0.462 0.000 1.044 389 Y CB 1.288 39.370 38.460 -0.631 0.000 1.230 389 Y HN 0.058 nan 8.280 nan 0.000 0.455 390 L N 4.070 124.951 121.223 -0.570 0.000 2.349 390 L HA 0.519 4.848 4.340 -0.019 0.000 0.278 390 L C -1.267 175.392 176.870 -0.351 0.000 0.996 390 L CA -0.843 53.603 54.840 -0.657 0.000 0.825 390 L CB 1.266 42.615 42.059 -1.184 0.000 1.243 390 L HN 0.590 nan 8.230 nan 0.000 0.412 391 Y N 1.904 122.359 120.300 0.259 0.000 2.453 391 Y HA 0.318 4.857 4.550 -0.018 0.000 0.326 391 Y C 1.217 177.581 175.900 0.774 0.000 1.186 391 Y CA -0.736 57.637 58.100 0.454 0.000 1.200 391 Y CB 1.316 39.930 38.460 0.257 0.000 1.247 391 Y HN 0.433 nan 8.280 nan 0.000 0.482 392 L N 0.682 122.339 121.223 0.723 0.000 2.079 392 L HA -0.218 4.111 4.340 -0.019 0.000 0.210 392 L C 1.735 178.857 176.870 0.420 0.000 1.081 392 L CA 1.779 56.890 54.840 0.451 0.000 0.752 392 L CB -0.323 41.879 42.059 0.239 0.000 0.896 392 L HN 0.766 nan 8.230 nan 0.000 0.433 393 D N -0.365 120.267 120.400 0.387 0.000 2.363 393 D HA -0.027 4.602 4.640 -0.019 0.000 0.226 393 D C 1.408 177.827 176.300 0.198 0.000 1.020 393 D CA 0.906 55.025 54.000 0.197 0.000 0.892 393 D CB 0.274 41.160 40.800 0.143 0.000 0.900 393 D HN 0.353 nan 8.370 nan 0.000 0.531 394 G N -0.416 108.693 108.800 0.515 0.000 2.176 394 G HA2 -0.237 3.712 3.960 -0.019 0.000 0.232 394 G HA3 -0.237 3.712 3.960 -0.019 0.000 0.232 394 G C 0.352 175.763 174.900 0.852 0.000 0.986 394 G CA 0.221 45.671 45.100 0.582 0.000 0.643 394 G HN 0.451 nan 8.290 nan 0.000 0.522 395 T N 1.024 115.998 114.554 0.699 0.000 2.907 395 T HA 0.589 4.928 4.350 -0.019 0.000 0.298 395 T C 0.493 175.585 174.700 0.653 0.000 1.017 395 T CA 0.389 62.828 62.100 0.566 0.000 1.118 395 T CB 1.334 70.344 68.868 0.238 0.000 0.948 395 T HN 0.326 nan 8.240 nan 0.000 0.531 396 I N 2.475 123.346 120.570 0.501 0.000 2.465 396 I HA 0.481 4.640 4.170 -0.019 0.000 0.291 396 I C 0.065 176.351 176.117 0.282 0.000 1.014 396 I CA -0.585 60.899 61.300 0.307 0.000 1.093 396 I CB 1.895 40.043 38.000 0.246 0.000 1.267 396 I HN 0.596 nan 8.210 nan 0.000 0.431 397 E N 5.614 125.941 120.200 0.212 0.000 2.356 397 E HA 0.483 4.822 4.350 -0.019 0.000 0.275 397 E C -2.002 174.445 176.600 -0.255 0.000 0.904 397 E CA -0.652 55.769 56.400 0.035 0.000 0.757 397 E CB 2.635 32.489 29.700 0.256 0.000 1.232 397 E HN 0.406 nan 8.360 nan 0.000 0.442 398 F N 2.368 121.753 119.950 -0.941 0.000 2.532 398 F HA 0.515 5.030 4.527 -0.019 0.000 0.321 398 F C -1.149 174.087 175.800 -0.940 0.000 1.089 398 F CA -0.593 56.642 58.000 -1.276 0.000 0.926 398 F CB 1.808 39.706 39.000 -1.836 0.000 1.168 398 F HN 0.500 nan 8.300 nan 0.000 0.459 399 E N 4.210 123.240 120.200 -1.950 0.000 2.260 399 E HA 0.668 5.007 4.350 -0.019 0.000 0.266 399 E C -1.824 173.866 176.600 -1.516 0.000 0.887 399 E CA -0.942 54.683 56.400 -1.291 0.000 0.777 399 E CB 1.651 31.032 29.700 -0.532 0.000 1.205 399 E HN 0.868 nan 8.360 nan 0.000 0.414 400 A N 4.623 126.768 122.820 -1.126 0.000 2.290 400 A HA 0.505 4.814 4.320 -0.019 0.000 0.310 400 A C -0.661 176.621 177.584 -0.503 0.000 1.202 400 A CA -0.601 50.892 52.037 -0.906 0.000 0.837 400 A CB 0.679 18.977 19.000 -1.171 0.000 1.139 400 A HN 0.570 nan 8.150 nan 0.000 0.509 401 K N 1.809 121.980 120.400 -0.381 0.000 2.425 401 K HA 0.536 4.845 4.320 -0.019 0.000 0.259 401 K C -0.619 175.917 176.600 -0.106 0.000 0.978 401 K CA -0.252 55.922 56.287 -0.187 0.000 0.883 401 K CB 2.000 34.449 32.500 -0.084 0.000 1.110 401 K HN 0.739 nan 8.250 nan 0.000 0.436 402 A N 2.661 125.468 122.820 -0.021 0.000 2.260 402 A HA 0.497 4.806 4.320 -0.019 0.000 0.308 402 A C -0.048 177.507 177.584 -0.048 0.000 1.254 402 A CA -0.161 51.875 52.037 -0.002 0.000 0.874 402 A CB 1.050 20.020 19.000 -0.050 0.000 1.153 402 A HN 0.657 nan 8.150 nan 0.000 0.527 403 T N 1.005 115.496 114.554 -0.106 0.000 2.618 403 T HA 0.819 5.158 4.350 -0.019 0.000 0.293 403 T C 0.332 174.918 174.700 -0.192 0.000 1.093 403 T CA 0.997 63.044 62.100 -0.089 0.000 1.061 403 T CB 0.882 69.746 68.868 -0.006 0.000 1.498 403 T HN 2.599 nan 8.240 nan 0.000 0.494 404 G N -0.167 108.511 108.800 -0.204 0.000 2.416 404 G HA2 0.047 3.996 3.960 -0.019 0.000 0.203 404 G HA3 0.047 3.996 3.960 -0.019 0.000 0.203 404 G C -1.279 173.453 174.900 -0.279 0.000 1.227 404 G CA -0.212 44.730 45.100 -0.264 0.000 1.041 404 G HN 1.353 nan 8.290 nan 0.000 0.546 405 V N 1.339 121.052 119.914 -0.333 0.000 2.495 405 V HA 0.627 4.736 4.120 -0.019 0.000 0.298 405 V C 1.163 177.134 176.094 -0.205 0.000 1.031 405 V CA -0.116 62.013 62.300 -0.286 0.000 0.871 405 V CB 1.029 32.616 31.823 -0.393 0.000 0.988 405 V HN 1.749 nan 8.190 nan 0.000 0.432 406 V N 2.346 122.298 119.914 0.062 0.000 2.963 406 V HA 0.391 4.500 4.120 -0.019 0.000 0.306 406 V C -0.190 176.003 176.094 0.165 0.000 1.077 406 V CA -0.215 62.178 62.300 0.154 0.000 1.124 406 V CB 0.489 32.485 31.823 0.288 0.000 0.987 406 V HN 0.619 nan 8.190 nan 0.000 0.487 407 F N 4.315 124.289 119.950 0.041 0.000 2.472 407 F HA 0.519 5.035 4.527 -0.019 0.000 0.364 407 F C 0.998 176.931 175.800 0.223 0.000 1.090 407 F CA 0.365 58.432 58.000 0.112 0.000 1.188 407 F CB 0.778 39.799 39.000 0.035 0.000 1.105 407 F HN 1.005 nan 8.300 nan 0.000 0.536 408 T N 1.621 116.197 114.554 0.037 0.000 2.923 408 T HA 0.822 5.161 4.350 -0.019 0.000 0.281 408 T C -0.127 174.609 174.700 0.060 0.000 0.995 408 T CA -0.264 61.882 62.100 0.077 0.000 0.985 408 T CB 1.627 70.500 68.868 0.008 0.000 1.114 408 T HN 0.692 nan 8.240 nan 0.000 0.548 409 S N -0.597 115.106 115.700 0.004 0.000 2.727 409 S HA 0.770 5.229 4.470 -0.019 0.000 0.278 409 S C -0.673 173.865 174.600 -0.103 0.000 1.186 409 S CA -0.818 57.334 58.200 -0.079 0.000 0.836 409 S CB 0.772 63.941 63.200 -0.051 0.000 1.186 409 S HN 1.394 nan 8.310 nan 0.000 0.499 410 A N 0.457 123.157 122.820 -0.200 0.000 2.302 410 A HA 0.700 5.009 4.320 -0.019 0.000 0.285 410 A C -0.801 176.783 177.584 -0.001 0.000 1.105 410 A CA -0.435 51.544 52.037 -0.097 0.000 0.816 410 A CB -0.116 18.796 19.000 -0.146 0.000 1.067 410 A HN 0.961 nan 8.150 nan 0.000 0.489 411 F N 3.008 122.942 119.950 -0.026 0.000 2.404 411 F HA 0.511 5.027 4.527 -0.019 0.000 0.358 411 F C -2.148 173.692 175.800 0.066 0.000 1.120 411 F CA -2.546 55.453 58.000 -0.003 0.000 1.144 411 F CB 0.852 39.845 39.000 -0.011 0.000 1.133 411 F HN 0.304 nan 8.300 nan 0.000 0.495 412 P HA -0.001 nan 4.420 nan 0.000 0.265 412 P C 0.659 177.743 177.300 -0.361 0.000 1.193 412 P CA 0.135 63.046 63.100 -0.315 0.000 0.765 412 P CB 0.658 32.168 31.700 -0.316 0.000 0.823 413 E N 2.578 122.707 120.200 -0.118 0.000 2.055 413 E HA -0.177 4.162 4.350 -0.019 0.000 0.209 413 E C 1.787 178.353 176.600 -0.056 0.000 1.036 413 E CA 2.128 58.498 56.400 -0.050 0.000 0.849 413 E CB -0.890 28.786 29.700 -0.041 0.000 0.767 413 E HN 0.669 nan 8.360 nan 0.000 0.461 414 G N 0.292 109.042 108.800 -0.085 0.000 3.340 414 G HA2 0.314 4.263 3.960 -0.019 0.000 0.240 414 G HA3 0.314 4.263 3.960 -0.019 0.000 0.240 414 G C 0.623 175.478 174.900 -0.075 0.000 1.327 414 G CA 0.556 45.625 45.100 -0.052 0.000 1.170 414 G HN 0.501 nan 8.290 nan 0.000 0.520 415 G N -0.865 107.829 108.800 -0.176 0.000 2.796 415 G HA2 0.126 4.075 3.960 -0.019 0.000 0.226 415 G HA3 0.126 4.075 3.960 -0.019 0.000 0.226 415 G C -0.181 174.517 174.900 -0.336 0.000 1.381 415 G CA 0.017 45.004 45.100 -0.189 0.000 0.867 415 G HN 1.361 nan 8.290 nan 0.000 0.552 416 S N -1.419 114.206 115.700 -0.126 0.000 2.537 416 S HA 0.590 5.049 4.470 -0.019 0.000 0.270 416 S C -0.106 174.503 174.600 0.014 0.000 1.142 416 S CA 0.329 58.460 58.200 -0.114 0.000 0.870 416 S CB 1.794 64.857 63.200 -0.229 0.000 1.112 416 S HN 0.580 nan 8.310 nan 0.000 0.466 417 D N 2.343 122.739 120.400 -0.007 0.000 2.340 417 D HA 0.192 4.821 4.640 -0.019 0.000 0.220 417 D C 0.344 176.655 176.300 0.019 0.000 1.039 417 D CA 0.545 54.588 54.000 0.071 0.000 0.866 417 D CB 0.021 40.865 40.800 0.074 0.000 0.913 417 D HN 0.617 nan 8.370 nan 0.000 0.523 418 N N -0.671 117.854 118.700 -0.292 0.000 2.143 418 N HA 0.263 4.992 4.740 -0.019 0.000 0.229 418 N C -0.408 174.357 175.510 -1.242 0.000 1.294 418 N CA -0.024 52.639 53.050 -0.645 0.000 0.883 418 N CB 1.735 40.106 38.487 -0.194 0.000 1.148 418 N HN -0.022 nan 8.380 nan 0.000 0.511 419 I N 0.415 120.386 120.570 -0.998 0.000 2.752 419 I HA 0.343 4.502 4.170 -0.019 0.000 0.295 419 I C -0.746 175.383 176.117 0.020 0.000 1.219 419 I CA -0.958 60.070 61.300 -0.454 0.000 1.030 419 I CB 2.215 40.179 38.000 -0.059 0.000 1.259 419 I HN -0.048 nan 8.210 nan 0.000 0.423 420 S N 3.626 119.497 115.700 0.286 0.000 2.578 420 S HA 0.525 4.984 4.470 -0.019 0.000 0.301 420 S C -0.738 173.839 174.600 -0.038 0.000 1.091 420 S CA -0.810 57.569 58.200 0.298 0.000 1.032 420 S CB 2.076 65.534 63.200 0.431 0.000 1.064 420 S HN 0.671 nan 8.310 nan 0.000 0.508 421 Q N 0.807 120.282 119.800 -0.542 0.000 2.267 421 Q HA 0.449 4.778 4.340 -0.019 0.000 0.255 421 Q C -0.230 175.580 176.000 -0.317 0.000 0.923 421 Q CA -0.481 54.876 55.803 -0.743 0.000 0.925 421 Q CB 0.711 28.657 28.738 -1.321 0.000 1.195 421 Q HN 0.867 nan 8.270 nan 0.000 0.417 422 L N 2.253 123.321 121.223 -0.258 0.000 2.500 422 L HA 0.526 4.855 4.340 -0.019 0.000 0.219 422 L C 0.339 177.096 176.870 -0.189 0.000 1.057 422 L CA 0.166 54.892 54.840 -0.190 0.000 0.854 422 L CB 0.611 42.483 42.059 -0.313 0.000 1.078 422 L HN 0.659 nan 8.230 nan 0.000 0.480 423 A N -1.021 121.652 122.820 -0.245 0.000 2.581 423 A HA 0.654 4.963 4.320 -0.019 0.000 0.290 423 A C -2.740 174.780 177.584 -0.106 0.000 1.119 423 A CA -1.092 50.861 52.037 -0.140 0.000 0.670 423 A CB 0.486 19.392 19.000 -0.156 0.000 1.280 423 A HN -0.238 nan 8.150 nan 0.000 0.425 424 P HA 0.299 nan 4.420 nan 0.000 0.261 424 P C 1.003 178.317 177.300 0.024 0.000 1.203 424 P CA 2.249 65.350 63.100 0.002 0.000 0.767 424 P CB 0.429 32.142 31.700 0.022 0.000 0.785 425 G N 2.532 111.375 108.800 0.071 0.000 2.245 425 G HA2 -0.289 3.660 3.960 -0.019 0.000 0.264 425 G HA3 -0.289 3.660 3.960 -0.019 0.000 0.264 425 G C -0.099 174.857 174.900 0.094 0.000 0.985 425 G CA -0.113 45.058 45.100 0.118 0.000 0.625 425 G HN 0.561 nan 8.290 nan 0.000 0.536 426 L N 2.063 123.278 121.223 -0.013 0.000 2.265 426 L HA 0.745 5.074 4.340 -0.019 0.000 0.288 426 L C 0.778 177.598 176.870 -0.084 0.000 1.058 426 L CA 0.348 55.116 54.840 -0.119 0.000 0.809 426 L CB 1.004 42.856 42.059 -0.345 0.000 1.179 426 L HN 0.408 nan 8.230 nan 0.000 0.429 427 G N 3.425 112.231 108.800 0.010 0.000 2.489 427 G HA2 0.778 4.727 3.960 -0.019 0.000 0.327 427 G HA3 0.778 4.727 3.960 -0.019 0.000 0.327 427 G C -1.642 173.293 174.900 0.059 0.000 1.189 427 G CA -0.331 44.843 45.100 0.124 0.000 0.962 427 G HN 0.933 nan 8.290 nan 0.000 0.486 428 A N 1.432 124.340 122.820 0.146 0.000 2.457 428 A HA 0.762 5.071 4.320 -0.019 0.000 0.283 428 A C -2.857 174.910 177.584 0.304 0.000 1.166 428 A CA -1.329 50.845 52.037 0.228 0.000 0.740 428 A CB 1.696 20.840 19.000 0.240 0.000 1.181 428 A HN 0.410 nan 8.150 nan 0.000 0.446 429 P HA 0.221 nan 4.420 nan 0.000 0.268 429 P C -0.393 177.201 177.300 0.490 0.000 1.205 429 P CA 0.132 63.401 63.100 0.281 0.000 0.771 429 P CB 0.202 32.115 31.700 0.354 0.000 0.858 430 F N 3.311 123.395 119.950 0.223 0.000 2.506 430 F HA 0.213 4.729 4.527 -0.018 0.000 0.351 430 F C 1.621 177.364 175.800 -0.095 0.000 1.136 430 F CA 0.480 58.498 58.000 0.031 0.000 1.298 430 F CB -0.457 38.562 39.000 0.031 0.000 1.145 430 F HN 0.501 nan 8.300 nan 0.000 0.593 431 H N -0.129 118.802 119.070 -0.231 0.000 2.902 431 H HA 0.513 5.058 4.556 -0.018 0.000 0.297 431 H C -1.778 173.239 175.328 -0.519 0.000 1.406 431 H CA -1.094 54.606 56.048 -0.581 0.000 1.134 431 H CB 1.462 30.447 29.762 -1.295 0.000 1.833 431 H HN 0.576 nan 8.280 nan 0.000 0.527 432 Q N 0.029 119.528 119.800 -0.502 0.000 2.484 432 Q HA 0.400 4.729 4.340 -0.019 0.000 0.285 432 Q C -1.084 174.620 176.000 -0.494 0.000 1.097 432 Q CA -0.971 54.557 55.803 -0.458 0.000 0.802 432 Q CB 3.013 31.551 28.738 -0.334 0.000 1.444 432 Q HN 0.561 nan 8.270 nan 0.000 0.429 433 H N 1.136 119.988 119.070 -0.362 0.000 2.991 433 H HA 0.424 4.969 4.556 -0.019 0.000 0.304 433 H C -0.947 174.109 175.328 -0.453 0.000 1.040 433 H CA -0.202 55.597 56.048 -0.416 0.000 1.410 433 H CB 0.735 30.309 29.762 -0.314 0.000 1.529 433 H HN 0.429 nan 8.280 nan 0.000 0.509 434 I N 3.727 124.032 120.570 -0.441 0.000 2.378 434 I HA 0.255 4.414 4.170 -0.019 0.000 0.291 434 I C -0.529 175.283 176.117 -0.507 0.000 0.992 434 I CA -0.621 60.464 61.300 -0.359 0.000 1.154 434 I CB 1.045 38.876 38.000 -0.280 0.000 1.315 434 I HN 0.193 nan 8.210 nan 0.000 0.448 435 F N 3.035 122.697 119.950 -0.480 0.000 2.483 435 F HA 0.537 5.053 4.527 -0.018 0.000 0.329 435 F C 0.564 176.150 175.800 -0.356 0.000 1.064 435 F CA -0.903 56.788 58.000 -0.515 0.000 0.986 435 F CB 1.740 40.167 39.000 -0.954 0.000 1.218 435 F HN 0.248 nan 8.300 nan 0.000 0.484 436 S N 1.069 116.815 115.700 0.078 0.000 2.756 436 S HA 0.769 5.227 4.470 -0.019 0.000 0.303 436 S C -0.912 173.800 174.600 0.187 0.000 1.135 436 S CA -0.525 57.762 58.200 0.145 0.000 1.066 436 S CB 0.396 63.544 63.200 -0.086 0.000 1.008 436 S HN 0.838 nan 8.310 nan 0.000 0.482 437 A N 4.719 127.704 122.820 0.275 0.000 2.289 437 A HA 0.632 4.941 4.320 -0.019 0.000 0.298 437 A C 0.146 177.761 177.584 0.051 0.000 1.208 437 A CA -0.657 51.500 52.037 0.200 0.000 0.845 437 A CB 0.399 19.485 19.000 0.142 0.000 1.125 437 A HN 0.841 nan 8.150 nan 0.000 0.517 438 R N 3.508 123.975 120.500 -0.056 0.000 2.215 438 R HA 0.524 4.853 4.340 -0.019 0.000 0.336 438 R C -1.611 174.504 176.300 -0.308 0.000 0.996 438 R CA -0.346 55.524 56.100 -0.383 0.000 0.847 438 R CB 0.280 30.231 30.300 -0.581 0.000 1.127 438 R HN 0.718 nan 8.270 nan 0.000 0.465 439 L N 4.482 125.515 121.223 -0.317 0.000 2.301 439 L HA 0.252 4.580 4.340 -0.019 0.000 0.278 439 L C -0.416 176.328 176.870 -0.211 0.000 1.022 439 L CA -0.832 53.894 54.840 -0.190 0.000 0.854 439 L CB 1.437 43.441 42.059 -0.092 0.000 1.226 439 L HN 0.544 nan 8.230 nan 0.000 0.429 440 D N 4.890 125.180 120.400 -0.184 0.000 2.402 440 D HA 0.155 4.784 4.640 -0.019 0.000 0.235 440 D C 0.177 176.457 176.300 -0.034 0.000 1.226 440 D CA -0.267 53.675 54.000 -0.096 0.000 0.918 440 D CB 0.591 41.353 40.800 -0.063 0.000 1.043 440 D HN 0.133 nan 8.370 nan 0.000 0.506 441 M N 2.350 121.945 119.600 -0.007 0.000 2.243 441 M HA 0.337 4.805 4.480 -0.019 0.000 0.341 441 M C 0.400 176.713 176.300 0.021 0.000 1.130 441 M CA -0.376 54.922 55.300 -0.004 0.000 1.162 441 M CB 0.762 33.374 32.600 0.020 0.000 1.497 441 M HN 0.489 nan 8.290 nan 0.000 0.456 442 A N 3.863 126.628 122.820 -0.092 0.000 3.292 442 A HA 0.384 4.693 4.320 -0.019 0.000 0.231 442 A C -0.325 177.162 177.584 -0.161 0.000 0.952 442 A CA -0.537 51.351 52.037 -0.250 0.000 1.044 442 A CB 0.082 18.773 19.000 -0.515 0.000 1.236 442 A HN 0.609 nan 8.150 nan 0.000 0.525 443 I N 1.682 122.224 120.570 -0.047 0.000 2.705 443 I HA 0.044 4.203 4.170 -0.019 0.000 0.291 443 I C 0.352 176.529 176.117 0.100 0.000 1.146 443 I CA 0.875 62.218 61.300 0.073 0.000 1.383 443 I CB -1.166 36.915 38.000 0.135 0.000 1.454 443 I HN 0.484 nan 8.210 nan 0.000 0.581 444 D N 4.930 125.410 120.400 0.133 0.000 2.837 444 D HA -0.145 4.484 4.640 -0.019 0.000 0.230 444 D C 0.649 176.910 176.300 -0.065 0.000 1.152 444 D CA 1.636 55.653 54.000 0.028 0.000 0.736 444 D CB -0.737 40.040 40.800 -0.038 0.000 1.084 444 D HN 1.109 nan 8.370 nan 0.000 0.429 445 G N -2.068 106.633 108.800 -0.164 0.000 2.384 445 G HA2 -0.092 3.857 3.960 -0.019 0.000 0.668 445 G HA3 -0.092 3.857 3.960 -0.019 0.000 0.668 445 G C 0.238 174.958 174.900 -0.301 0.000 1.280 445 G CA -0.358 44.580 45.100 -0.270 0.000 0.992 445 G HN 0.054 nan 8.290 nan 0.000 0.512 446 F N 0.824 120.766 119.950 -0.013 0.000 2.743 446 F HA 0.232 4.748 4.527 -0.018 0.000 0.297 446 F C 2.249 178.048 175.800 -0.001 0.000 1.131 446 F CA 1.146 59.133 58.000 -0.022 0.000 1.426 446 F CB 0.292 39.263 39.000 -0.048 0.000 1.116 446 F HN 0.286 nan 8.300 nan 0.000 0.583 447 T N 2.807 117.451 114.554 0.150 0.000 2.987 447 T HA 0.161 4.500 4.350 -0.019 0.000 0.288 447 T C -0.078 174.675 174.700 0.089 0.000 0.981 447 T CA -0.112 62.053 62.100 0.108 0.000 1.031 447 T CB -0.516 68.397 68.868 0.075 0.000 0.976 447 T HN -0.008 nan 8.240 nan 0.000 0.612 448 N N 2.779 121.540 118.700 0.102 0.000 2.469 448 N HA 0.695 5.424 4.740 -0.019 0.000 0.286 448 N C -0.189 175.376 175.510 0.091 0.000 1.275 448 N CA -1.015 52.090 53.050 0.092 0.000 0.790 448 N CB 2.124 40.668 38.487 0.095 0.000 1.446 448 N HN 0.601 nan 8.380 nan 0.000 0.501 449 R N -1.695 118.859 120.500 0.090 0.000 2.764 449 R HA 0.791 5.119 4.340 -0.019 0.000 0.270 449 R C -1.754 174.608 176.300 0.103 0.000 1.014 449 R CA -0.871 55.284 56.100 0.092 0.000 0.904 449 R CB 0.764 31.112 30.300 0.079 0.000 1.236 449 R HN 0.184 nan 8.270 nan 0.000 0.466 450 V N 0.801 120.783 119.914 0.113 0.000 2.656 450 V HA 0.441 4.550 4.120 -0.019 0.000 0.307 450 V C -0.658 175.525 176.094 0.148 0.000 1.051 450 V CA -0.744 61.641 62.300 0.141 0.000 0.893 450 V CB 1.891 33.805 31.823 0.152 0.000 0.999 450 V HN 0.763 nan 8.190 nan 0.000 0.426 451 E N 2.103 122.398 120.200 0.158 0.000 2.222 451 E HA 0.439 4.778 4.350 -0.019 0.000 0.267 451 E C -1.000 175.693 176.600 0.154 0.000 0.884 451 E CA -0.648 55.830 56.400 0.130 0.000 0.764 451 E CB 2.822 32.567 29.700 0.075 0.000 1.169 451 E HN 0.747 nan 8.360 nan 0.000 0.413 452 E N 2.733 123.012 120.200 0.131 0.000 2.146 452 E HA 0.087 4.426 4.350 -0.019 0.000 0.282 452 E C -1.013 175.517 176.600 -0.116 0.000 0.989 452 E CA -0.305 56.090 56.400 -0.007 0.000 0.799 452 E CB 0.952 30.724 29.700 0.120 0.000 1.088 452 E HN 0.398 nan 8.360 nan 0.000 0.397 453 E N 4.337 124.389 120.200 -0.245 0.000 2.145 453 E HA 0.186 4.525 4.350 -0.019 0.000 0.270 453 E C -1.265 175.217 176.600 -0.197 0.000 0.906 453 E CA -0.801 55.500 56.400 -0.166 0.000 0.761 453 E CB 0.940 30.561 29.700 -0.132 0.000 1.116 453 E HN 0.437 nan 8.360 nan 0.000 0.408 454 D N 2.428 122.758 120.400 -0.117 0.000 2.342 454 D HA 0.271 4.900 4.640 -0.019 0.000 0.243 454 D C -0.498 175.774 176.300 -0.046 0.000 1.019 454 D CA -0.563 53.379 54.000 -0.098 0.000 0.864 454 D CB 2.132 42.891 40.800 -0.069 0.000 1.315 454 D HN 0.152 nan 8.370 nan 0.000 0.468 455 V N 1.220 121.109 119.914 -0.041 0.000 2.811 455 V HA 0.237 4.345 4.120 -0.019 0.000 0.302 455 V C 0.150 176.250 176.094 0.010 0.000 1.063 455 V CA -0.284 62.013 62.300 -0.004 0.000 1.088 455 V CB 1.447 33.238 31.823 -0.054 0.000 0.982 455 V HN 0.260 nan 8.190 nan 0.000 0.485 456 V N 5.835 125.784 119.914 0.058 0.000 2.444 456 V HA 0.456 4.565 4.120 -0.019 0.000 0.294 456 V C 0.138 176.284 176.094 0.085 0.000 1.022 456 V CA -0.820 61.512 62.300 0.053 0.000 0.850 456 V CB 1.579 33.432 31.823 0.050 0.000 0.992 456 V HN 0.807 nan 8.190 nan 0.000 0.426 457 R N 3.385 123.916 120.500 0.051 0.000 2.459 457 R HA 0.578 4.907 4.340 -0.019 0.000 0.281 457 R C -0.540 175.796 176.300 0.061 0.000 1.050 457 R CA -0.486 55.651 56.100 0.062 0.000 1.055 457 R CB 1.241 31.553 30.300 0.020 0.000 1.045 457 R HN 0.677 nan 8.270 nan 0.000 0.495 458 Q N 0.423 120.267 119.800 0.074 0.000 2.345 458 Q HA 0.300 4.629 4.340 -0.019 0.000 0.268 458 Q C -0.750 175.274 176.000 0.039 0.000 1.054 458 Q CA -0.702 55.132 55.803 0.051 0.000 0.835 458 Q CB 2.570 31.338 28.738 0.051 0.000 1.339 458 Q HN 0.454 nan 8.270 nan 0.000 0.447 459 T N 2.034 116.604 114.554 0.027 0.000 2.889 459 T HA 0.256 4.595 4.350 -0.019 0.000 0.291 459 T C -0.029 174.683 174.700 0.019 0.000 0.995 459 T CA -0.368 61.744 62.100 0.021 0.000 1.092 459 T CB 0.474 69.352 68.868 0.015 0.000 0.954 459 T HN 0.462 nan 8.240 nan 0.000 0.506 460 M N 3.201 122.811 119.600 0.018 0.000 2.238 460 M HA 0.458 4.927 4.480 -0.019 0.000 0.350 460 M C 0.435 176.741 176.300 0.011 0.000 1.321 460 M CA 0.783 56.093 55.300 0.015 0.000 1.097 460 M CB -0.477 32.132 32.600 0.014 0.000 1.713 460 M HN 0.894 nan 8.290 nan 0.000 0.455 461 G N 4.453 113.258 108.800 0.009 0.000 2.336 461 G HA2 0.241 4.190 3.960 -0.019 0.000 0.286 461 G HA3 0.241 4.190 3.960 -0.019 0.000 0.286 461 G C -3.390 171.513 174.900 0.004 0.000 1.269 461 G CA -1.114 43.990 45.100 0.006 0.000 0.873 461 G HN 0.410 nan 8.290 nan 0.000 0.494 462 P HA 0.285 nan 4.420 nan 0.000 0.261 462 P C 1.031 178.331 177.300 0.000 0.000 1.173 462 P CA 2.401 65.501 63.100 0.001 0.000 0.760 462 P CB 0.646 32.346 31.700 0.001 0.000 0.783 463 G N 2.665 111.464 108.800 -0.002 0.000 2.205 463 G HA2 -0.285 3.664 3.960 -0.019 0.000 0.261 463 G HA3 -0.285 3.664 3.960 -0.019 0.000 0.261 463 G C 0.520 175.417 174.900 -0.005 0.000 0.980 463 G CA 0.401 45.499 45.100 -0.004 0.000 0.632 463 G HN 0.673 nan 8.290 nan 0.000 0.533 464 N N -0.043 118.656 118.700 -0.001 0.000 2.620 464 N HA 0.337 5.066 4.740 -0.019 0.000 0.277 464 N C 0.902 176.415 175.510 0.005 0.000 1.726 464 N CA 0.409 53.460 53.050 0.001 0.000 0.840 464 N CB 0.392 38.883 38.487 0.006 0.000 1.379 464 N HN 0.167 nan 8.380 nan 0.000 0.506 465 E N 0.003 120.204 120.200 0.003 0.000 2.204 465 E HA -0.010 4.329 4.350 -0.019 0.000 0.195 465 E C 1.075 177.679 176.600 0.006 0.000 0.990 465 E CA 1.132 57.535 56.400 0.004 0.000 0.821 465 E CB 0.129 29.830 29.700 0.002 0.000 0.750 465 E HN 0.376 nan 8.360 nan 0.000 0.477 466 R N -0.548 119.956 120.500 0.007 0.000 2.317 466 R HA 0.160 4.488 4.340 -0.019 0.000 0.208 466 R C 0.705 177.015 176.300 0.016 0.000 0.914 466 R CA 0.446 56.552 56.100 0.010 0.000 1.060 466 R CB 0.356 30.662 30.300 0.009 0.000 1.015 466 R HN 0.199 nan 8.270 nan 0.000 0.498 467 G N 2.390 111.201 108.800 0.018 0.000 2.341 467 G HA2 -0.356 3.593 3.960 -0.019 0.000 0.292 467 G HA3 -0.356 3.593 3.960 -0.019 0.000 0.292 467 G C 0.255 175.180 174.900 0.042 0.000 1.021 467 G CA 1.043 46.160 45.100 0.027 0.000 0.905 467 G HN 0.703 nan 8.290 nan 0.000 0.508 468 N N -1.108 117.617 118.700 0.042 0.000 2.294 468 N HA 0.509 5.238 4.740 -0.019 0.000 0.186 468 N C 1.209 176.771 175.510 0.087 0.000 1.107 468 N CA 0.535 53.624 53.050 0.066 0.000 0.884 468 N CB 0.403 38.915 38.487 0.042 0.000 1.030 468 N HN 0.782 nan 8.380 nan 0.000 0.482 469 A N 0.742 123.588 122.820 0.044 0.000 2.462 469 A HA 0.441 4.750 4.320 -0.019 0.000 0.243 469 A C -0.567 177.086 177.584 0.115 0.000 1.076 469 A CA -0.234 51.804 52.037 0.003 0.000 0.773 469 A CB -0.327 18.662 19.000 -0.018 0.000 1.010 469 A HN 0.489 nan 8.150 nan 0.000 0.493 470 F N 0.391 120.337 119.950 -0.007 0.000 2.619 470 F HA 0.811 5.328 4.527 -0.016 0.000 0.308 470 F C -0.243 175.552 175.800 -0.009 0.000 1.097 470 F CA -0.624 57.371 58.000 -0.008 0.000 0.953 470 F CB 1.038 40.032 39.000 -0.009 0.000 1.287 470 F HN 0.534 nan 8.300 nan 0.000 0.446 471 S N 1.190 117.037 115.700 0.245 0.000 2.998 471 S HA 0.856 5.315 4.470 -0.019 0.000 0.307 471 S C -1.337 173.362 174.600 0.166 0.000 1.063 471 S CA -0.851 57.420 58.200 0.120 0.000 0.895 471 S CB 1.430 64.657 63.200 0.045 0.000 1.362 471 S HN 1.085 nan 8.310 nan 0.000 0.657 472 R N 0.603 121.152 120.500 0.080 0.000 2.710 472 R HA 0.594 4.923 4.340 -0.019 0.000 0.270 472 R C -2.033 174.281 176.300 0.024 0.000 1.021 472 R CA -0.907 55.226 56.100 0.055 0.000 0.889 472 R CB 1.264 31.595 30.300 0.052 0.000 1.243 472 R HN 0.692 nan 8.270 nan 0.000 0.464 473 K N 1.760 122.164 120.400 0.007 0.000 2.469 473 K HA 0.596 4.904 4.320 -0.019 0.000 0.254 473 K C -1.174 175.421 176.600 -0.008 0.000 0.939 473 K CA -1.139 55.150 56.287 0.003 0.000 0.812 473 K CB 2.787 35.290 32.500 0.005 0.000 1.301 473 K HN 0.625 nan 8.250 nan 0.000 0.433 474 R N 0.956 121.456 120.500 0.001 0.000 2.561 474 R HA 0.395 4.724 4.340 -0.019 0.000 0.297 474 R C -1.167 175.144 176.300 0.018 0.000 0.969 474 R CA -0.897 55.205 56.100 0.003 0.000 0.879 474 R CB 2.593 32.898 30.300 0.009 0.000 1.178 474 R HN 0.674 nan 8.270 nan 0.000 0.445 475 T N 2.172 116.744 114.554 0.029 0.000 2.815 475 T HA 0.226 4.565 4.350 -0.019 0.000 0.289 475 T C -0.087 174.652 174.700 0.066 0.000 1.000 475 T CA -0.619 61.507 62.100 0.044 0.000 0.958 475 T CB 1.527 70.423 68.868 0.046 0.000 0.944 475 T HN 0.146 nan 8.240 nan 0.000 0.442 476 V N 5.080 125.030 119.914 0.060 0.000 2.572 476 V HA 0.193 4.302 4.120 -0.019 0.000 0.291 476 V C 0.377 176.517 176.094 0.076 0.000 1.039 476 V CA -0.429 61.914 62.300 0.071 0.000 1.055 476 V CB 0.347 32.205 31.823 0.058 0.000 0.969 476 V HN 0.719 nan 8.190 nan 0.000 0.482 477 L N 5.583 126.862 121.223 0.093 0.000 2.268 477 L HA 0.263 4.592 4.340 -0.019 0.000 0.289 477 L C 1.496 178.413 176.870 0.078 0.000 1.064 477 L CA -0.137 54.756 54.840 0.088 0.000 0.824 477 L CB 0.946 43.068 42.059 0.105 0.000 1.202 477 L HN 0.915 nan 8.230 nan 0.000 0.433 478 T N -0.622 113.970 114.554 0.065 0.000 3.031 478 T HA 0.164 4.503 4.350 -0.019 0.000 0.254 478 T C 0.951 175.687 174.700 0.060 0.000 1.060 478 T CA 0.090 62.225 62.100 0.060 0.000 1.135 478 T CB 0.324 69.221 68.868 0.049 0.000 0.896 478 T HN 0.301 nan 8.240 nan 0.000 0.472 479 R N 0.798 121.333 120.500 0.059 0.000 2.744 479 R HA 0.474 4.803 4.340 -0.019 0.000 0.279 479 R C 0.640 176.980 176.300 0.068 0.000 0.977 479 R CA -0.645 55.491 56.100 0.060 0.000 0.906 479 R CB 1.369 31.698 30.300 0.048 0.000 1.197 479 R HN 0.243 nan 8.270 nan 0.000 0.463 480 E N 0.500 120.747 120.200 0.079 0.000 2.160 480 E HA -0.194 4.145 4.350 -0.019 0.000 0.195 480 E C 1.305 177.951 176.600 0.077 0.000 0.991 480 E CA 1.984 58.441 56.400 0.096 0.000 0.810 480 E CB 0.170 29.937 29.700 0.112 0.000 0.742 480 E HN 0.644 nan 8.360 nan 0.000 0.466 481 S N 1.158 116.893 115.700 0.058 0.000 2.442 481 S HA -0.189 4.270 4.470 -0.019 0.000 0.236 481 S C 1.532 176.144 174.600 0.021 0.000 1.007 481 S CA 1.316 59.540 58.200 0.040 0.000 0.965 481 S CB -0.296 62.924 63.200 0.034 0.000 0.773 481 S HN 0.456 nan 8.310 nan 0.000 0.504 482 E N 0.309 120.526 120.200 0.028 0.000 2.569 482 E HA 0.566 4.905 4.350 -0.019 0.000 0.205 482 E C 0.615 177.226 176.600 0.018 0.000 1.006 482 E CA 0.093 56.504 56.400 0.018 0.000 0.985 482 E CB 0.459 30.177 29.700 0.030 0.000 1.060 482 E HN 0.493 nan 8.360 nan 0.000 0.460 483 A N 0.855 123.684 122.820 0.014 0.000 2.574 483 A HA 0.323 4.632 4.320 -0.019 0.000 0.283 483 A C 0.080 177.616 177.584 -0.080 0.000 1.270 483 A CA -0.261 51.784 52.037 0.013 0.000 0.945 483 A CB 0.435 19.482 19.000 0.077 0.000 1.127 483 A HN 0.122 nan 8.150 nan 0.000 0.522 484 V N 2.848 122.645 119.914 -0.195 0.000 2.294 484 V HA 0.411 4.520 4.120 -0.019 0.000 0.272 484 V C -0.498 175.365 176.094 -0.385 0.000 1.027 484 V CA -0.698 61.292 62.300 -0.517 0.000 0.823 484 V CB 0.577 31.990 31.823 -0.684 0.000 1.030 484 V HN 0.462 nan 8.190 nan 0.000 0.457 485 R N 3.458 123.742 120.500 -0.359 0.000 2.732 485 R HA 0.645 4.974 4.340 -0.019 0.000 0.278 485 R C -0.139 176.099 176.300 -0.103 0.000 0.976 485 R CA -0.704 55.314 56.100 -0.137 0.000 0.963 485 R CB 2.130 32.454 30.300 0.039 0.000 1.150 485 R HN 0.890 nan 8.270 nan 0.000 0.478 486 E N 0.527 120.769 120.200 0.071 0.000 2.235 486 E HA 0.710 5.049 4.350 -0.019 0.000 0.265 486 E C -0.758 176.035 176.600 0.321 0.000 0.940 486 E CA -1.101 55.373 56.400 0.123 0.000 0.819 486 E CB 1.644 31.380 29.700 0.060 0.000 1.206 486 E HN 0.534 nan 8.360 nan 0.000 0.409 487 A N 1.233 124.247 122.820 0.323 0.000 2.346 487 A HA 0.255 4.564 4.320 -0.019 0.000 0.252 487 A C -0.253 177.438 177.584 0.177 0.000 1.089 487 A CA -0.045 52.206 52.037 0.356 0.000 0.797 487 A CB 0.334 19.526 19.000 0.321 0.000 1.047 487 A HN 0.712 nan 8.150 nan 0.000 0.494 488 D N -0.269 120.189 120.400 0.096 0.000 2.584 488 D HA 0.413 5.042 4.640 -0.019 0.000 0.238 488 D C 0.646 176.951 176.300 0.007 0.000 1.302 488 D CA 0.287 54.310 54.000 0.038 0.000 0.884 488 D CB 0.638 41.443 40.800 0.008 0.000 1.456 488 D HN 0.475 nan 8.370 nan 0.000 0.528 489 A N 2.802 125.643 122.820 0.035 0.000 1.933 489 A HA -0.160 4.149 4.320 -0.019 0.000 0.218 489 A C 2.070 179.651 177.584 -0.005 0.000 1.175 489 A CA 1.396 53.447 52.037 0.025 0.000 0.628 489 A CB -0.206 18.823 19.000 0.049 0.000 0.814 489 A HN 0.486 nan 8.150 nan 0.000 0.444 490 R N -0.195 120.302 120.500 -0.005 0.000 2.105 490 R HA -0.134 4.195 4.340 -0.019 0.000 0.239 490 R C 1.623 177.900 176.300 -0.039 0.000 1.135 490 R CA 1.961 58.050 56.100 -0.019 0.000 0.967 490 R CB -0.337 29.957 30.300 -0.010 0.000 0.861 490 R HN 0.621 nan 8.270 nan 0.000 0.442 491 T N -3.537 110.992 114.554 -0.042 0.000 3.186 491 T HA 0.247 4.585 4.350 -0.019 0.000 0.257 491 T C 0.884 175.539 174.700 -0.076 0.000 1.029 491 T CA 0.142 62.207 62.100 -0.058 0.000 0.916 491 T CB 0.766 69.603 68.868 -0.050 0.000 1.041 491 T HN 0.357 nan 8.240 nan 0.000 0.562 492 G N 2.459 111.218 108.800 -0.070 0.000 2.341 492 G HA2 -0.356 3.593 3.960 -0.019 0.000 0.292 492 G HA3 -0.356 3.593 3.960 -0.019 0.000 0.292 492 G C 0.073 174.895 174.900 -0.129 0.000 1.021 492 G CA 0.262 45.319 45.100 -0.072 0.000 0.905 492 G HN 0.912 nan 8.290 nan 0.000 0.508 493 R N 0.551 120.938 120.500 -0.188 0.000 2.538 493 R HA 0.406 4.735 4.340 -0.019 0.000 0.282 493 R C 0.864 176.791 176.300 -0.622 0.000 1.009 493 R CA 1.060 56.929 56.100 -0.385 0.000 1.063 493 R CB 0.198 30.269 30.300 -0.381 0.000 0.945 493 R HN 0.490 nan 8.270 nan 0.000 0.414 494 T N 0.754 114.843 114.554 -0.776 0.000 2.838 494 T HA 0.534 4.873 4.350 -0.019 0.000 0.292 494 T C -1.089 173.036 174.700 -0.959 0.000 1.113 494 T CA -0.966 60.661 62.100 -0.788 0.000 1.008 494 T CB 1.239 69.852 68.868 -0.426 0.000 1.259 494 T HN 0.563 nan 8.240 nan 0.000 0.520 495 W N 0.643 121.890 121.300 -0.088 0.000 2.781 495 W HA 0.596 5.246 4.660 -0.018 0.000 0.333 495 W C -1.145 175.348 176.519 -0.042 0.000 1.047 495 W CA -1.189 56.130 57.345 -0.045 0.000 1.236 495 W CB 1.645 31.087 29.460 -0.030 0.000 1.394 495 W HN 0.593 nan 8.180 nan 0.000 0.466 496 I N 4.350 125.007 120.570 0.146 0.000 2.354 496 I HA 0.300 4.459 4.170 -0.019 0.000 0.292 496 I C -0.366 175.836 176.117 0.142 0.000 0.989 496 I CA -0.989 60.376 61.300 0.109 0.000 1.188 496 I CB 1.390 39.424 38.000 0.057 0.000 1.342 496 I HN 0.081 nan 8.210 nan 0.000 0.457 497 I N 6.121 126.780 120.570 0.148 0.000 2.312 497 I HA 0.268 4.427 4.170 -0.019 0.000 0.290 497 I C 0.349 176.549 176.117 0.138 0.000 1.008 497 I CA 0.283 61.664 61.300 0.136 0.000 1.226 497 I CB 1.236 39.308 38.000 0.121 0.000 1.371 497 I HN 0.581 nan 8.210 nan 0.000 0.468 498 S N 3.985 119.755 115.700 0.116 0.000 2.715 498 S HA 0.595 5.053 4.470 -0.019 0.000 0.307 498 S C -0.613 174.042 174.600 0.093 0.000 1.119 498 S CA -0.910 57.357 58.200 0.112 0.000 0.937 498 S CB 1.918 65.170 63.200 0.086 0.000 1.150 498 S HN 0.502 nan 8.310 nan 0.000 0.521 499 N N 1.820 120.568 118.700 0.079 0.000 2.626 499 N HA 0.362 5.091 4.740 -0.019 0.000 0.242 499 N C -1.996 173.535 175.510 0.034 0.000 1.005 499 N CA -2.337 50.746 53.050 0.055 0.000 0.905 499 N CB 1.491 40.003 38.487 0.042 0.000 1.128 499 N HN 0.384 nan 8.380 nan 0.000 0.512 500 P HA -0.075 nan 4.420 nan 0.000 0.226 500 P C 0.009 177.319 177.300 0.016 0.000 1.146 500 P CA 1.145 64.261 63.100 0.028 0.000 0.773 500 P CB 0.518 32.239 31.700 0.035 0.000 0.772 501 E N -1.085 119.122 120.200 0.013 0.000 2.498 501 E HA 0.148 4.487 4.350 -0.019 0.000 0.203 501 E C 0.132 176.724 176.600 -0.014 0.000 1.013 501 E CA -0.071 56.331 56.400 0.003 0.000 0.927 501 E CB 0.493 30.200 29.700 0.011 0.000 1.012 501 E HN -0.018 nan 8.360 nan 0.000 0.482 502 S N 1.573 117.259 115.700 -0.024 0.000 2.733 502 S HA 0.231 4.690 4.470 -0.019 0.000 0.307 502 S C -0.896 173.662 174.600 -0.070 0.000 1.127 502 S CA -0.814 57.352 58.200 -0.056 0.000 1.097 502 S CB 0.233 63.387 63.200 -0.077 0.000 1.003 502 S HN -0.079 nan 8.310 nan 0.000 0.477 503 K N 3.205 123.564 120.400 -0.068 0.000 2.123 503 K HA 0.398 4.707 4.320 -0.019 0.000 0.259 503 K C 0.200 176.744 176.600 -0.092 0.000 0.960 503 K CA -0.840 55.407 56.287 -0.066 0.000 0.872 503 K CB 0.838 33.313 32.500 -0.042 0.000 1.079 503 K HN 0.755 nan 8.250 nan 0.000 0.440 504 N N 0.541 119.187 118.700 -0.090 0.000 2.366 504 N HA 0.038 4.767 4.740 -0.019 0.000 0.277 504 N C 0.851 176.325 175.510 -0.060 0.000 1.275 504 N CA -0.399 52.593 53.050 -0.097 0.000 0.964 504 N CB 0.288 38.724 38.487 -0.084 0.000 1.167 504 N HN 0.554 nan 8.380 nan 0.000 0.568 505 R N -0.780 119.692 120.500 -0.047 0.000 2.241 505 R HA 0.017 4.346 4.340 -0.019 0.000 0.224 505 R C 0.568 176.853 176.300 -0.025 0.000 1.101 505 R CA 1.088 57.169 56.100 -0.032 0.000 0.995 505 R CB -0.718 29.568 30.300 -0.023 0.000 0.870 505 R HN 0.554 nan 8.270 nan 0.000 0.463 506 L N 1.299 122.507 121.223 -0.024 0.000 2.685 506 L HA 0.151 4.480 4.340 -0.019 0.000 0.233 506 L C 0.269 177.128 176.870 -0.019 0.000 1.173 506 L CA -0.093 54.735 54.840 -0.019 0.000 0.961 506 L CB -0.678 41.372 42.059 -0.015 0.000 1.217 506 L HN 0.440 nan 8.230 nan 0.000 0.478 507 N N 1.498 120.184 118.700 -0.024 0.000 2.754 507 N HA -0.157 4.572 4.740 -0.019 0.000 0.248 507 N C -0.418 175.081 175.510 -0.019 0.000 1.093 507 N CA 0.278 53.315 53.050 -0.021 0.000 0.699 507 N CB -0.009 38.468 38.487 -0.016 0.000 1.016 507 N HN 0.380 nan 8.380 nan 0.000 0.552 508 E N 0.245 120.431 120.200 -0.022 0.000 2.199 508 E HA 0.408 4.747 4.350 -0.019 0.000 0.269 508 E C -2.516 174.072 176.600 -0.021 0.000 0.899 508 E CA -1.736 54.655 56.400 -0.015 0.000 0.772 508 E CB 1.614 31.307 29.700 -0.011 0.000 1.155 508 E HN 0.131 nan 8.360 nan 0.000 0.408 509 P HA -0.062 nan 4.420 nan 0.000 0.264 509 P C -0.009 177.290 177.300 -0.000 0.000 1.193 509 P CA -0.055 63.042 63.100 -0.004 0.000 0.763 509 P CB 0.363 32.073 31.700 0.017 0.000 0.810 510 V N 1.975 121.874 119.914 -0.025 0.000 2.999 510 V HA 0.658 4.767 4.120 -0.019 0.000 0.307 510 V C 0.604 176.779 176.094 0.135 0.000 1.084 510 V CA 0.288 62.583 62.300 -0.009 0.000 1.155 510 V CB 0.107 31.812 31.823 -0.197 0.000 0.975 510 V HN 0.723 nan 8.190 nan 0.000 0.490 511 G N 2.173 111.101 108.800 0.212 0.000 2.649 511 G HA2 0.612 4.561 3.960 -0.019 0.000 0.290 511 G HA3 0.612 4.561 3.960 -0.019 0.000 0.290 511 G C -2.291 172.730 174.900 0.202 0.000 1.426 511 G CA -0.752 44.478 45.100 0.216 0.000 0.794 511 G HN 0.750 nan 8.290 nan 0.000 0.483 512 Y N -0.080 120.244 120.300 0.040 0.000 2.457 512 Y HA 0.590 5.130 4.550 -0.018 0.000 0.343 512 Y C 0.117 176.036 175.900 0.031 0.000 0.994 512 Y CA -0.773 57.331 58.100 0.008 0.000 1.031 512 Y CB 2.773 41.207 38.460 -0.044 0.000 1.246 512 Y HN 0.500 nan 8.280 nan 0.000 0.449 513 K N 4.025 124.480 120.400 0.093 0.000 2.206 513 K HA 0.529 4.837 4.320 -0.019 0.000 0.264 513 K C -1.619 174.963 176.600 -0.030 0.000 0.967 513 K CA -0.864 55.417 56.287 -0.009 0.000 0.844 513 K CB 0.984 33.412 32.500 -0.120 0.000 1.099 513 K HN 0.628 nan 8.250 nan 0.000 0.441 514 L N 5.056 126.268 121.223 -0.019 0.000 2.265 514 L HA 0.286 4.615 4.340 -0.019 0.000 0.288 514 L C -1.349 175.460 176.870 -0.102 0.000 1.058 514 L CA 0.062 54.929 54.840 0.046 0.000 0.809 514 L CB 0.492 42.626 42.059 0.124 0.000 1.179 514 L HN 0.658 nan 8.230 nan 0.000 0.429 515 H N 4.578 123.756 119.070 0.180 0.000 2.581 515 H HA 0.698 5.242 4.556 -0.019 0.000 0.308 515 H C -0.072 175.393 175.328 0.227 0.000 1.040 515 H CA -0.062 56.083 56.048 0.161 0.000 1.231 515 H CB 1.245 31.089 29.762 0.137 0.000 1.396 515 H HN 0.872 nan 8.280 nan 0.000 0.467 516 A N 2.269 125.278 122.820 0.314 0.000 2.279 516 A HA 0.209 4.518 4.320 -0.019 0.000 0.303 516 A C 0.419 178.294 177.584 0.485 0.000 1.108 516 A CA -0.586 51.677 52.037 0.376 0.000 0.830 516 A CB 0.507 19.757 19.000 0.417 0.000 1.106 516 A HN 1.012 nan 8.150 nan 0.000 0.493 517 H N 0.871 120.122 119.070 0.301 0.000 2.547 517 H HA -0.019 4.526 4.556 -0.019 0.000 0.272 517 H C -0.107 175.343 175.328 0.204 0.000 0.989 517 H CA 0.358 56.535 56.048 0.215 0.000 1.214 517 H CB 0.168 30.048 29.762 0.197 0.000 1.389 517 H HN 0.765 nan 8.280 nan 0.000 0.577 518 N N 1.868 120.797 118.700 0.382 0.000 2.754 518 N HA -0.163 4.566 4.740 -0.019 0.000 0.248 518 N C -0.598 175.049 175.510 0.229 0.000 1.093 518 N CA 0.511 53.733 53.050 0.286 0.000 0.699 518 N CB -0.943 37.670 38.487 0.210 0.000 1.016 518 N HN 0.524 nan 8.380 nan 0.000 0.552 519 Q N -0.101 119.850 119.800 0.252 0.000 2.382 519 Q HA 0.336 4.665 4.340 -0.019 0.000 0.229 519 Q C -1.852 174.231 176.000 0.138 0.000 1.006 519 Q CA -0.987 54.927 55.803 0.185 0.000 0.916 519 Q CB 0.214 29.072 28.738 0.200 0.000 1.235 519 Q HN 0.133 nan 8.270 nan 0.000 0.512 520 P HA -0.000 nan 4.420 nan 0.000 0.269 520 P C -0.206 177.116 177.300 0.036 0.000 1.209 520 P CA 0.210 63.347 63.100 0.062 0.000 0.776 520 P CB 0.517 32.242 31.700 0.041 0.000 0.876 521 T N 0.056 114.625 114.554 0.025 0.000 2.920 521 T HA 0.323 4.662 4.350 -0.019 0.000 0.292 521 T C 0.278 174.942 174.700 -0.060 0.000 1.093 521 T CA -0.878 61.214 62.100 -0.013 0.000 0.944 521 T CB -0.014 68.860 68.868 0.010 0.000 1.605 521 T HN 0.161 nan 8.240 nan 0.000 0.590 522 L N 1.156 122.316 121.223 -0.104 0.000 2.628 522 L HA 0.125 4.454 4.340 -0.019 0.000 0.274 522 L C 0.909 177.739 176.870 -0.066 0.000 1.209 522 L CA 0.302 55.069 54.840 -0.122 0.000 0.930 522 L CB -0.460 41.499 42.059 -0.166 0.000 1.183 522 L HN 0.632 nan 8.230 nan 0.000 0.492 523 L N 4.904 126.091 121.223 -0.061 0.000 2.307 523 L HA 0.181 4.510 4.340 -0.019 0.000 0.211 523 L C 1.469 178.337 176.870 -0.004 0.000 1.099 523 L CA 0.273 55.101 54.840 -0.020 0.000 0.816 523 L CB -0.515 41.537 42.059 -0.012 0.000 0.952 523 L HN 0.840 nan 8.230 nan 0.000 0.455 524 A N 0.776 123.588 122.820 -0.014 0.000 2.583 524 A HA -0.131 4.178 4.320 -0.019 0.000 0.231 524 A C 0.333 177.926 177.584 0.015 0.000 1.065 524 A CA 0.003 52.045 52.037 0.008 0.000 0.760 524 A CB -0.107 18.897 19.000 0.007 0.000 1.001 524 A HN 0.302 nan 8.150 nan 0.000 0.509 525 D N 2.318 122.735 120.400 0.028 0.000 2.472 525 D HA 0.015 4.643 4.640 -0.019 0.000 0.237 525 D C -1.118 175.194 176.300 0.020 0.000 1.141 525 D CA -0.781 53.235 54.000 0.026 0.000 0.875 525 D CB 0.848 41.668 40.800 0.033 0.000 1.192 525 D HN 0.301 nan 8.370 nan 0.000 0.450 526 P HA -0.090 nan 4.420 nan 0.000 0.221 526 P C 0.985 178.290 177.300 0.009 0.000 1.145 526 P CA 0.819 63.924 63.100 0.010 0.000 0.795 526 P CB 0.127 31.832 31.700 0.009 0.000 0.775 527 G N -0.089 108.718 108.800 0.013 0.000 3.042 527 G HA2 0.044 3.993 3.960 -0.019 0.000 0.212 527 G HA3 0.044 3.993 3.960 -0.019 0.000 0.212 527 G C 0.637 175.547 174.900 0.016 0.000 1.166 527 G CA 0.108 45.215 45.100 0.010 0.000 0.767 527 G HN 0.440 nan 8.290 nan 0.000 0.546 528 S N -0.597 115.119 115.700 0.028 0.000 2.614 528 S HA 0.318 4.776 4.470 -0.019 0.000 0.265 528 S C 1.612 176.227 174.600 0.025 0.000 1.303 528 S CA 0.458 58.689 58.200 0.051 0.000 1.000 528 S CB 1.647 64.891 63.200 0.073 0.000 0.935 528 S HN 0.082 nan 8.310 nan 0.000 0.551 529 S N 0.498 116.216 115.700 0.031 0.000 2.356 529 S HA -0.141 4.317 4.470 -0.019 0.000 0.223 529 S C 1.707 176.291 174.600 -0.025 0.000 1.032 529 S CA 1.180 59.330 58.200 -0.084 0.000 1.005 529 S CB -0.835 62.170 63.200 -0.325 0.000 0.867 529 S HN 0.706 nan 8.310 nan 0.000 0.449 530 I N 2.051 122.664 120.570 0.073 0.000 2.286 530 I HA 0.016 4.175 4.170 -0.019 0.000 0.248 530 I C 2.334 178.482 176.117 0.053 0.000 1.115 530 I CA 1.301 62.665 61.300 0.107 0.000 1.392 530 I CB -0.934 37.138 38.000 0.120 0.000 1.065 530 I HN 0.336 nan 8.210 nan 0.000 0.418 531 A N 0.374 123.205 122.820 0.019 0.000 1.933 531 A HA -0.181 4.128 4.320 -0.019 0.000 0.218 531 A C 2.447 180.026 177.584 -0.008 0.000 1.175 531 A CA 1.573 53.605 52.037 -0.008 0.000 0.628 531 A CB -0.554 18.444 19.000 -0.003 0.000 0.814 531 A HN 0.464 nan 8.150 nan 0.000 0.444 532 R N -0.858 119.633 120.500 -0.015 0.000 2.075 532 R HA 0.018 4.346 4.340 -0.019 0.000 0.226 532 R C 2.355 178.627 176.300 -0.047 0.000 1.114 532 R CA 1.212 57.286 56.100 -0.042 0.000 0.972 532 R CB -0.228 30.028 30.300 -0.073 0.000 0.869 532 R HN 0.454 nan 8.270 nan 0.000 0.437 533 R N 0.247 120.739 120.500 -0.013 0.000 2.115 533 R HA 0.064 4.393 4.340 -0.019 0.000 0.226 533 R C 1.006 177.431 176.300 0.208 0.000 1.100 533 R CA 1.102 57.209 56.100 0.011 0.000 0.980 533 R CB 0.201 30.512 30.300 0.019 0.000 0.875 533 R HN 0.065 nan 8.270 nan 0.000 0.445 534 A N 0.298 123.262 122.820 0.240 0.000 2.911 534 A HA 0.484 4.793 4.320 -0.019 0.000 0.304 534 A C 1.245 178.750 177.584 -0.132 0.000 1.144 534 A CA -0.030 52.117 52.037 0.183 0.000 0.988 534 A CB 0.216 19.199 19.000 -0.028 0.000 1.141 534 A HN 0.251 nan 8.150 nan 0.000 0.552 535 A N 0.351 123.164 122.820 -0.011 0.000 1.986 535 A HA -0.086 4.223 4.320 -0.019 0.000 0.220 535 A C 1.804 179.386 177.584 -0.003 0.000 1.171 535 A CA 1.875 53.903 52.037 -0.015 0.000 0.640 535 A CB -0.943 18.054 19.000 -0.004 0.000 0.811 535 A HN 1.336 nan 8.150 nan 0.000 0.451 536 F N -0.156 119.673 119.950 -0.201 0.000 2.161 536 F HA 0.026 4.542 4.527 -0.019 0.000 0.300 536 F C 2.077 177.951 175.800 0.124 0.000 1.089 536 F CA 0.805 58.600 58.000 -0.342 0.000 1.282 536 F CB -1.003 37.683 39.000 -0.524 0.000 1.010 536 F HN 0.146 nan 8.300 nan 0.000 0.485 537 A N 0.459 122.592 122.820 -1.145 0.000 2.216 537 A HA -0.040 4.269 4.320 -0.019 0.000 0.214 537 A C 2.094 179.533 177.584 -0.242 0.000 1.160 537 A CA 1.464 53.025 52.037 -0.793 0.000 0.725 537 A CB -1.551 16.833 19.000 -1.028 0.000 0.784 537 A HN 0.606 nan 8.150 nan 0.000 0.472 538 T N -3.819 110.697 114.554 -0.063 0.000 3.100 538 T HA 0.209 4.548 4.350 -0.019 0.000 0.253 538 T C 0.568 175.297 174.700 0.048 0.000 1.118 538 T CA 0.172 62.277 62.100 0.008 0.000 1.058 538 T CB 0.124 69.012 68.868 0.033 0.000 0.953 538 T HN 0.096 nan 8.240 nan 0.000 0.515 539 K N 0.991 121.472 120.400 0.135 0.000 2.469 539 K HA 0.405 4.714 4.320 -0.019 0.000 0.254 539 K C -0.488 176.167 176.600 0.093 0.000 0.939 539 K CA -0.521 55.755 56.287 -0.017 0.000 0.812 539 K CB 2.141 34.376 32.500 -0.442 0.000 1.301 539 K HN -0.056 nan 8.250 nan 0.000 0.433 540 D N 0.321 120.736 120.400 0.026 0.000 2.194 540 D HA -0.012 4.616 4.640 -0.019 0.000 0.204 540 D C 0.002 176.353 176.300 0.086 0.000 0.964 540 D CA 0.805 54.876 54.000 0.118 0.000 0.846 540 D CB 0.317 41.231 40.800 0.190 0.000 0.962 540 D HN 0.122 nan 8.370 nan 0.000 0.490 541 L N -0.332 120.771 121.223 -0.200 0.000 2.464 541 L HA 0.465 4.794 4.340 -0.019 0.000 0.266 541 L C -1.996 174.739 176.870 -0.224 0.000 0.965 541 L CA -0.620 54.063 54.840 -0.262 0.000 0.833 541 L CB 1.557 43.002 42.059 -1.024 0.000 1.296 541 L HN -0.121 nan 8.230 nan 0.000 0.405 542 W N 4.222 125.517 121.300 -0.008 0.000 2.883 542 W HA 0.747 5.396 4.660 -0.019 0.000 0.335 542 W C -1.212 175.428 176.519 0.201 0.000 1.083 542 W CA -0.788 56.595 57.345 0.063 0.000 1.233 542 W CB 2.025 31.503 29.460 0.030 0.000 1.412 542 W HN 0.144 nan 8.180 nan 0.000 0.490 543 V N 2.763 122.896 119.914 0.366 0.000 2.487 543 V HA 0.731 4.840 4.120 -0.019 0.000 0.298 543 V C -0.025 176.279 176.094 0.350 0.000 1.028 543 V CA -0.794 61.705 62.300 0.332 0.000 0.860 543 V CB 1.396 33.326 31.823 0.178 0.000 0.991 543 V HN 0.590 nan 8.190 nan 0.000 0.427 544 T N 1.547 116.356 114.554 0.425 0.000 2.916 544 T HA 0.745 5.084 4.350 -0.019 0.000 0.292 544 T C -0.471 174.375 174.700 0.243 0.000 1.064 544 T CA -0.975 61.331 62.100 0.344 0.000 1.011 544 T CB 2.108 71.249 68.868 0.455 0.000 1.152 544 T HN 0.504 nan 8.240 nan 0.000 0.510 545 R N 0.902 121.501 120.500 0.165 0.000 2.340 545 R HA 0.337 4.666 4.340 -0.019 0.000 0.300 545 R C -0.864 175.496 176.300 0.100 0.000 1.069 545 R CA -0.957 55.217 56.100 0.123 0.000 0.984 545 R CB -0.616 29.732 30.300 0.080 0.000 1.003 545 R HN 0.773 nan 8.270 nan 0.000 0.459 546 Y N 3.237 123.538 120.300 0.001 0.000 2.702 546 Y HA 0.292 4.830 4.550 -0.018 0.000 0.336 546 Y C -0.744 175.107 175.900 -0.082 0.000 1.235 546 Y CA 0.900 58.969 58.100 -0.051 0.000 1.492 546 Y CB 0.466 38.862 38.460 -0.106 0.000 1.308 546 Y HN 0.752 nan 8.280 nan 0.000 0.589 547 A N 4.608 126.723 122.820 -1.174 0.000 2.517 547 A HA 0.305 4.614 4.320 -0.019 0.000 0.297 547 A C -0.033 176.891 177.584 -1.099 0.000 1.050 547 A CA -0.327 51.169 52.037 -0.902 0.000 0.694 547 A CB 0.629 19.338 19.000 -0.484 0.000 1.277 547 A HN 0.810 nan 8.150 nan 0.000 0.400 548 D N 1.176 121.146 120.400 -0.718 0.000 2.309 548 D HA -0.144 4.485 4.640 -0.019 0.000 0.212 548 D C 0.551 176.677 176.300 -0.289 0.000 0.968 548 D CA 1.515 55.282 54.000 -0.388 0.000 0.882 548 D CB 0.069 40.806 40.800 -0.106 0.000 0.918 548 D HN 0.540 nan 8.370 nan 0.000 0.503 549 D N -0.091 120.124 120.400 -0.309 0.000 2.368 549 D HA -0.017 4.611 4.640 -0.019 0.000 0.218 549 D C -0.336 175.769 176.300 -0.325 0.000 1.112 549 D CA -0.246 53.612 54.000 -0.236 0.000 0.834 549 D CB -0.499 40.205 40.800 -0.160 0.000 0.953 549 D HN 0.234 nan 8.370 nan 0.000 0.505 550 E N 0.734 120.661 120.200 -0.454 0.000 2.267 550 E HA 0.348 4.687 4.350 -0.019 0.000 0.241 550 E C 0.408 176.885 176.600 -0.206 0.000 0.950 550 E CA -0.280 55.770 56.400 -0.582 0.000 0.776 550 E CB 1.404 30.549 29.700 -0.926 0.000 1.207 550 E HN 0.059 nan 8.360 nan 0.000 0.436 551 R N 1.150 121.514 120.500 -0.226 0.000 2.221 551 R HA 0.140 4.469 4.340 -0.019 0.000 0.195 551 R C -0.183 175.814 176.300 -0.506 0.000 0.956 551 R CA 0.572 56.371 56.100 -0.502 0.000 1.064 551 R CB 0.628 30.315 30.300 -1.023 0.000 1.049 551 R HN 0.306 nan 8.270 nan 0.000 0.534 552 Y N -0.124 120.315 120.300 0.231 0.000 2.462 552 Y HA 0.299 4.838 4.550 -0.018 0.000 0.346 552 Y C -1.828 174.045 175.900 -0.045 0.000 0.976 552 Y CA -3.063 55.115 58.100 0.130 0.000 1.044 552 Y CB 1.378 39.808 38.460 -0.050 0.000 1.230 552 Y HN -0.158 nan 8.280 nan 0.000 0.455 553 P HA -0.111 nan 4.420 nan 0.000 0.225 553 P C 0.691 177.701 177.300 -0.483 0.000 1.148 553 P CA 1.585 64.300 63.100 -0.641 0.000 0.779 553 P CB 0.133 31.355 31.700 -0.796 0.000 0.780 554 T N -4.920 109.475 114.554 -0.265 0.000 3.054 554 T HA 0.501 4.840 4.350 -0.019 0.000 0.255 554 T C 0.919 175.552 174.700 -0.112 0.000 1.035 554 T CA 0.123 62.128 62.100 -0.159 0.000 0.941 554 T CB -0.027 68.784 68.868 -0.095 0.000 1.026 554 T HN 0.344 nan 8.240 nan 0.000 0.533 555 G N 1.384 110.157 108.800 -0.044 0.000 2.710 555 G HA2 -0.149 3.800 3.960 -0.019 0.000 0.668 555 G HA3 -0.149 3.800 3.960 -0.019 0.000 0.668 555 G C -0.263 174.632 174.900 -0.009 0.000 1.320 555 G CA -0.151 44.957 45.100 0.013 0.000 0.860 555 G HN 0.132 nan 8.290 nan 0.000 0.538 556 D N -0.566 119.721 120.400 -0.189 0.000 2.183 556 D HA 0.079 4.708 4.640 -0.019 0.000 0.203 556 D C 0.886 176.642 176.300 -0.906 0.000 0.969 556 D CA 1.484 55.151 54.000 -0.554 0.000 0.842 556 D CB -0.060 40.141 40.800 -0.998 0.000 0.957 556 D HN 0.244 nan 8.370 nan 0.000 0.484 557 F N 0.037 119.861 119.950 -0.210 0.000 2.434 557 F HA 0.237 4.753 4.527 -0.018 0.000 0.367 557 F C 1.045 176.708 175.800 -0.229 0.000 1.093 557 F CA -0.688 57.143 58.000 -0.282 0.000 1.085 557 F CB 1.356 40.109 39.000 -0.412 0.000 1.322 557 F HN -0.361 nan 8.300 nan 0.000 0.452 558 V N 0.051 119.911 119.914 -0.090 0.000 2.599 558 V HA -0.094 4.015 4.120 -0.019 0.000 0.245 558 V C 1.137 177.132 176.094 -0.165 0.000 1.046 558 V CA 0.382 62.569 62.300 -0.189 0.000 1.065 558 V CB -0.480 31.129 31.823 -0.357 0.000 0.703 558 V HN 0.667 nan 8.190 nan 0.000 0.464 559 N N 1.692 120.335 118.700 -0.094 0.000 2.374 559 N HA -0.079 4.650 4.740 -0.019 0.000 0.269 559 N C 0.500 175.976 175.510 -0.056 0.000 1.310 559 N CA 0.738 53.743 53.050 -0.076 0.000 0.877 559 N CB -0.311 38.133 38.487 -0.072 0.000 1.096 559 N HN 0.476 nan 8.380 nan 0.000 0.484 560 Q N 0.013 119.777 119.800 -0.060 0.000 2.457 560 Q HA -0.308 4.021 4.340 -0.019 0.000 0.283 560 Q C -0.989 174.999 176.000 -0.020 0.000 1.234 560 Q CA 0.877 56.647 55.803 -0.054 0.000 0.877 560 Q CB -1.694 27.012 28.738 -0.055 0.000 1.250 560 Q HN 0.684 nan 8.270 nan 0.000 0.481 561 H N -0.043 118.929 119.070 -0.163 0.000 2.466 561 H HA 0.495 5.040 4.556 -0.019 0.000 0.338 561 H C 0.180 175.406 175.328 -0.169 0.000 1.091 561 H CA -0.060 55.898 56.048 -0.151 0.000 1.207 561 H CB 0.940 30.622 29.762 -0.134 0.000 1.466 561 H HN 0.228 nan 8.280 nan 0.000 0.493 562 S N 2.734 118.094 115.700 -0.567 0.000 2.625 562 S HA 0.408 4.867 4.470 -0.019 0.000 0.258 562 S C 0.957 175.163 174.600 -0.657 0.000 1.256 562 S CA -0.341 57.563 58.200 -0.492 0.000 0.983 562 S CB 0.304 63.312 63.200 -0.320 0.000 1.032 562 S HN 0.820 nan 8.310 nan 0.000 0.572 563 G N -1.855 106.719 108.800 -0.376 0.000 2.634 563 G HA2 0.490 4.439 3.960 -0.019 0.000 0.255 563 G HA3 0.490 4.439 3.960 -0.019 0.000 0.255 563 G C 0.815 175.553 174.900 -0.270 0.000 1.205 563 G CA -0.325 44.601 45.100 -0.290 0.000 0.884 563 G HN 1.889 nan 8.290 nan 0.000 0.549 564 G N -1.781 106.914 108.800 -0.175 0.000 2.551 564 G HA2 0.348 4.297 3.960 -0.019 0.000 0.186 564 G HA3 0.348 4.297 3.960 -0.019 0.000 0.186 564 G C 0.378 175.249 174.900 -0.050 0.000 1.002 564 G CA 0.732 45.778 45.100 -0.091 0.000 0.723 564 G HN 1.718 nan 8.290 nan 0.000 0.481 565 A N -0.360 122.429 122.820 -0.051 0.000 2.616 565 A HA 1.075 5.384 4.320 -0.019 0.000 0.253 565 A C 1.434 178.816 177.584 -0.336 0.000 1.239 565 A CA 0.913 52.903 52.037 -0.079 0.000 0.914 565 A CB 0.482 19.541 19.000 0.098 0.000 1.454 565 A HN 2.249 nan 8.150 nan 0.000 0.460 566 G N -1.837 106.626 108.800 -0.562 0.000 2.697 566 G HA2 -0.136 3.813 3.960 -0.019 0.000 0.240 566 G HA3 -0.136 3.813 3.960 -0.019 0.000 0.240 566 G C 0.737 174.706 174.900 -1.552 0.000 1.346 566 G CA 0.078 44.595 45.100 -0.970 0.000 0.887 566 G HN 1.267 nan 8.290 nan 0.000 0.569 567 L N 0.811 121.272 121.223 -1.270 0.000 2.034 567 L HA -0.167 4.162 4.340 -0.019 0.000 0.217 567 L C 0.369 176.872 176.870 -0.612 0.000 1.077 567 L CA 2.810 57.008 54.840 -1.070 0.000 0.769 567 L CB -1.339 39.874 42.059 -1.410 0.000 0.890 567 L HN 0.461 nan 8.230 nan 0.000 0.435 568 P HA -0.164 nan 4.420 nan 0.000 0.216 568 P C 1.803 179.032 177.300 -0.118 0.000 1.150 568 P CA 1.854 64.878 63.100 -0.127 0.000 0.837 568 P CB -0.021 31.623 31.700 -0.092 0.000 0.786 569 S N -2.395 113.161 115.700 -0.241 0.000 2.395 569 S HA -0.150 4.309 4.470 -0.019 0.000 0.225 569 S C 1.877 176.492 174.600 0.026 0.000 1.027 569 S CA 0.726 58.860 58.200 -0.110 0.000 0.965 569 S CB -1.560 61.571 63.200 -0.114 0.000 0.812 569 S HN -0.004 nan 8.310 nan 0.000 0.482 570 Y N 2.271 122.514 120.300 -0.096 0.000 2.145 570 Y HA 0.070 4.609 4.550 -0.019 0.000 0.286 570 Y C 2.535 178.421 175.900 -0.024 0.000 1.145 570 Y CA -0.399 57.651 58.100 -0.083 0.000 1.148 570 Y CB -1.105 37.262 38.460 -0.155 0.000 0.981 570 Y HN 0.213 nan 8.280 nan 0.000 0.507 571 I N 0.136 120.796 120.570 0.151 0.000 2.264 571 I HA -0.270 3.889 4.170 -0.019 0.000 0.248 571 I C 2.483 178.663 176.117 0.105 0.000 1.111 571 I CA 1.423 62.812 61.300 0.148 0.000 1.382 571 I CB -1.654 36.469 38.000 0.205 0.000 1.060 571 I HN 0.143 nan 8.210 nan 0.000 0.418 572 A N 0.201 123.070 122.820 0.081 0.000 2.076 572 A HA -0.231 4.078 4.320 -0.019 0.000 0.220 572 A C 2.159 179.776 177.584 0.055 0.000 1.160 572 A CA 1.232 53.304 52.037 0.058 0.000 0.653 572 A CB -0.609 18.415 19.000 0.041 0.000 0.801 572 A HN 0.550 nan 8.150 nan 0.000 0.455 573 Q N -1.374 118.466 119.800 0.065 0.000 2.291 573 Q HA -0.126 4.202 4.340 -0.019 0.000 0.205 573 Q C 0.202 176.231 176.000 0.049 0.000 0.970 573 Q CA 0.579 56.413 55.803 0.052 0.000 0.876 573 Q CB -0.111 28.657 28.738 0.051 0.000 0.935 573 Q HN 0.614 nan 8.270 nan 0.000 0.455 574 D N 0.661 121.096 120.400 0.059 0.000 2.686 574 D HA -0.173 4.456 4.640 -0.019 0.000 0.235 574 D C -0.884 175.447 176.300 0.052 0.000 1.160 574 D CA 0.605 54.638 54.000 0.055 0.000 0.645 574 D CB -0.576 40.250 40.800 0.043 0.000 1.039 574 D HN 0.222 nan 8.370 nan 0.000 0.423 575 R N 0.335 120.870 120.500 0.058 0.000 2.707 575 R HA 0.276 4.605 4.340 -0.019 0.000 0.270 575 R C 0.275 176.610 176.300 0.059 0.000 1.083 575 R CA -0.464 55.667 56.100 0.052 0.000 1.182 575 R CB 0.377 30.707 30.300 0.050 0.000 1.084 575 R HN 0.155 nan 8.270 nan 0.000 0.528 576 D N 1.941 122.373 120.400 0.053 0.000 2.343 576 D HA 0.041 4.669 4.640 -0.019 0.000 0.255 576 D C 0.489 176.829 176.300 0.067 0.000 1.187 576 D CA -0.073 53.960 54.000 0.055 0.000 0.875 576 D CB 0.566 41.394 40.800 0.046 0.000 1.136 576 D HN 0.534 nan 8.370 nan 0.000 0.469 577 I N -0.104 120.511 120.570 0.074 0.000 4.050 577 I HA 0.337 4.496 4.170 -0.019 0.000 0.327 577 I C 0.215 176.381 176.117 0.083 0.000 1.473 577 I CA -0.498 60.854 61.300 0.088 0.000 1.124 577 I CB 0.459 38.521 38.000 0.104 0.000 1.129 577 I HN 0.069 nan 8.210 nan 0.000 0.428 578 D N 3.036 123.478 120.400 0.070 0.000 2.494 578 D HA 0.352 4.981 4.640 -0.019 0.000 0.217 578 D C 1.041 177.378 176.300 0.062 0.000 1.153 578 D CA 0.461 54.500 54.000 0.065 0.000 0.954 578 D CB 0.378 41.212 40.800 0.056 0.000 1.034 578 D HN 0.544 nan 8.370 nan 0.000 0.518 579 G N 3.233 112.075 108.800 0.069 0.000 2.370 579 G HA2 -0.176 3.773 3.960 -0.019 0.000 0.268 579 G HA3 -0.176 3.773 3.960 -0.019 0.000 0.268 579 G C -0.140 174.803 174.900 0.072 0.000 1.122 579 G CA -0.313 44.827 45.100 0.067 0.000 0.963 579 G HN 0.474 nan 8.290 nan 0.000 0.500 580 Q N -0.747 119.104 119.800 0.085 0.000 2.687 580 Q HA 0.388 4.717 4.340 -0.019 0.000 0.305 580 Q C -1.065 175.003 176.000 0.112 0.000 1.006 580 Q CA -0.919 54.937 55.803 0.088 0.000 0.763 580 Q CB 1.029 29.814 28.738 0.078 0.000 1.506 580 Q HN 0.244 nan 8.270 nan 0.000 0.459 581 D N 1.929 122.388 120.400 0.097 0.000 2.359 581 D HA 0.313 4.942 4.640 -0.019 0.000 0.250 581 D C -0.397 175.980 176.300 0.128 0.000 1.264 581 D CA 0.026 54.080 54.000 0.090 0.000 0.911 581 D CB -0.306 40.442 40.800 -0.086 0.000 1.056 581 D HN 0.433 nan 8.370 nan 0.000 0.499 582 I N 0.047 120.704 120.570 0.145 0.000 2.957 582 I HA 0.688 4.847 4.170 -0.019 0.000 0.310 582 I C -0.972 175.215 176.117 0.116 0.000 1.063 582 I CA -1.065 60.322 61.300 0.144 0.000 1.033 582 I CB 2.238 40.317 38.000 0.131 0.000 1.230 582 I HN -0.097 nan 8.210 nan 0.000 0.447 583 V N 3.747 123.726 119.914 0.108 0.000 2.638 583 V HA 0.422 4.530 4.120 -0.019 0.000 0.306 583 V C -0.208 175.857 176.094 -0.049 0.000 1.052 583 V CA -0.673 61.599 62.300 -0.048 0.000 0.885 583 V CB 1.863 33.597 31.823 -0.149 0.000 0.999 583 V HN 0.573 nan 8.190 nan 0.000 0.424 584 V N 3.639 123.457 119.914 -0.159 0.000 2.427 584 V HA 0.466 4.575 4.120 -0.019 0.000 0.286 584 V C -1.135 174.875 176.094 -0.140 0.000 1.034 584 V CA -0.444 61.836 62.300 -0.033 0.000 0.893 584 V CB 1.597 33.407 31.823 -0.022 0.000 0.982 584 V HN 0.920 nan 8.190 nan 0.000 0.452 585 W N 4.112 125.466 121.300 0.090 0.000 2.336 585 W HA 0.459 5.108 4.660 -0.018 0.000 0.315 585 W C 0.049 176.677 176.519 0.181 0.000 1.016 585 W CA -0.487 56.918 57.345 0.100 0.000 1.318 585 W CB 0.441 29.937 29.460 0.060 0.000 1.247 585 W HN 0.569 nan 8.180 nan 0.000 0.414 586 H N 2.371 121.542 119.070 0.169 0.000 2.519 586 H HA 0.383 4.929 4.556 -0.018 0.000 0.316 586 H C -0.511 175.023 175.328 0.343 0.000 1.065 586 H CA -0.237 55.885 56.048 0.122 0.000 1.264 586 H CB 1.143 30.791 29.762 -0.190 0.000 1.413 586 H HN 0.152 nan 8.280 nan 0.000 0.465 587 T N 6.986 121.547 114.554 0.012 0.000 2.806 587 T HA 0.308 4.647 4.350 -0.019 0.000 0.290 587 T C -0.881 173.720 174.700 -0.164 0.000 0.966 587 T CA -0.257 61.864 62.100 0.035 0.000 1.060 587 T CB -0.190 68.793 68.868 0.190 0.000 0.927 587 T HN 0.487 nan 8.240 nan 0.000 0.485 588 F N 0.092 119.943 119.950 -0.164 0.000 2.635 588 F HA 0.799 5.316 4.527 -0.018 0.000 0.314 588 F C -0.309 175.585 175.800 0.156 0.000 1.119 588 F CA -1.088 56.880 58.000 -0.054 0.000 1.000 588 F CB 0.940 39.887 39.000 -0.087 0.000 1.278 588 F HN 0.775 nan 8.300 nan 0.000 0.446 589 G N 2.078 110.974 108.800 0.160 0.000 2.600 589 G HA2 0.616 4.565 3.960 -0.019 0.000 0.293 589 G HA3 0.616 4.565 3.960 -0.019 0.000 0.293 589 G C -2.376 172.581 174.900 0.095 0.000 1.408 589 G CA -1.185 43.989 45.100 0.123 0.000 0.782 589 G HN 0.820 nan 8.290 nan 0.000 0.482 590 L N 0.482 121.711 121.223 0.010 0.000 2.309 590 L HA 0.572 4.901 4.340 -0.019 0.000 0.282 590 L C -0.061 176.655 176.870 -0.257 0.000 1.036 590 L CA -0.634 54.137 54.840 -0.115 0.000 0.806 590 L CB 2.198 44.087 42.059 -0.283 0.000 1.220 590 L HN 0.394 nan 8.230 nan 0.000 0.429 591 T N 0.990 115.417 114.554 -0.211 0.000 2.756 591 T HA 0.349 4.688 4.350 -0.019 0.000 0.290 591 T C -0.582 173.901 174.700 -0.361 0.000 0.985 591 T CA -0.391 61.502 62.100 -0.344 0.000 0.955 591 T CB 0.154 68.873 68.868 -0.249 0.000 0.930 591 T HN 0.412 nan 8.240 nan 0.000 0.451 592 H N 2.146 120.781 119.070 -0.726 0.000 2.476 592 H HA 0.355 4.900 4.556 -0.019 0.000 0.328 592 H C -0.931 173.854 175.328 -0.906 0.000 1.073 592 H CA -0.886 54.746 56.048 -0.695 0.000 1.229 592 H CB 0.901 30.230 29.762 -0.721 0.000 1.432 592 H HN 0.471 nan 8.280 nan 0.000 0.477 593 F N 4.070 123.882 119.950 -0.231 0.000 2.363 593 F HA 0.258 4.774 4.527 -0.019 0.000 0.366 593 F C -2.101 173.652 175.800 -0.078 0.000 1.083 593 F CA -2.539 55.235 58.000 -0.377 0.000 1.176 593 F CB 0.650 39.278 39.000 -0.620 0.000 1.432 593 F HN 0.400 nan 8.300 nan 0.000 0.482 594 P HA 0.001 nan 4.420 nan 0.000 0.261 594 P C -0.257 177.125 177.300 0.137 0.000 1.165 594 P CA 0.391 63.584 63.100 0.156 0.000 0.759 594 P CB 0.559 32.420 31.700 0.269 0.000 0.772 595 R N 1.790 122.336 120.500 0.077 0.000 2.674 595 R HA 0.330 4.659 4.340 -0.019 0.000 0.266 595 R C 1.252 177.604 176.300 0.086 0.000 1.016 595 R CA -1.015 55.123 56.100 0.064 0.000 1.062 595 R CB 0.463 30.781 30.300 0.030 0.000 1.142 595 R HN 0.104 nan 8.270 nan 0.000 0.517 596 V N 1.191 121.146 119.914 0.068 0.000 2.469 596 V HA -0.220 3.889 4.120 -0.019 0.000 0.251 596 V C 1.434 177.604 176.094 0.126 0.000 1.064 596 V CA 1.827 64.186 62.300 0.099 0.000 1.066 596 V CB -0.582 31.276 31.823 0.058 0.000 0.667 596 V HN 0.702 nan 8.190 nan 0.000 0.461 597 E N 0.068 120.312 120.200 0.073 0.000 2.338 597 E HA -0.151 4.187 4.350 -0.019 0.000 0.197 597 E C 1.662 178.290 176.600 0.048 0.000 1.007 597 E CA 0.849 57.279 56.400 0.049 0.000 0.849 597 E CB -0.222 29.488 29.700 0.017 0.000 0.774 597 E HN 0.590 nan 8.360 nan 0.000 0.506 598 D N -0.979 119.470 120.400 0.082 0.000 2.355 598 D HA -0.066 4.563 4.640 -0.019 0.000 0.218 598 D C -0.181 176.211 176.300 0.154 0.000 1.004 598 D CA 0.277 54.323 54.000 0.078 0.000 0.880 598 D CB 0.164 41.009 40.800 0.076 0.000 0.911 598 D HN 0.212 nan 8.370 nan 0.000 0.528 599 W N 2.362 123.663 121.300 0.001 0.000 2.606 599 W HA 0.199 4.848 4.660 -0.019 0.000 0.332 599 W C -1.895 174.645 176.519 0.035 0.000 1.052 599 W CA -1.997 55.363 57.345 0.024 0.000 1.223 599 W CB 2.075 31.556 29.460 0.035 0.000 1.383 599 W HN -0.204 nan 8.180 nan 0.000 0.524 600 P HA 0.058 nan 4.420 nan 0.000 0.231 600 P C 0.107 176.899 177.300 -0.847 0.000 1.168 600 P CA 0.961 63.140 63.100 -1.535 0.000 0.779 600 P CB 1.438 32.640 31.700 -0.831 0.000 0.844 601 I N -0.430 119.850 120.570 -0.484 0.000 2.569 601 I HA 0.307 4.465 4.170 -0.019 0.000 0.290 601 I C -0.543 175.409 176.117 -0.276 0.000 1.088 601 I CA -1.655 59.366 61.300 -0.465 0.000 1.047 601 I CB 2.517 40.002 38.000 -0.858 0.000 1.237 601 I HN -0.274 nan 8.210 nan 0.000 0.421 602 M N 10.355 129.836 119.600 -0.197 0.000 2.217 602 M HA 0.354 4.823 4.480 -0.019 0.000 0.352 602 M C -2.349 173.880 176.300 -0.118 0.000 1.376 602 M CA -1.241 53.991 55.300 -0.112 0.000 1.107 602 M CB 0.632 33.190 32.600 -0.070 0.000 1.723 602 M HN 0.296 nan 8.290 nan 0.000 0.461 603 P HA 0.088 nan 4.420 nan 0.000 0.278 603 P C -0.717 176.552 177.300 -0.052 0.000 1.238 603 P CA -0.389 62.666 63.100 -0.075 0.000 0.794 603 P CB 0.705 32.370 31.700 -0.059 0.000 0.955 604 V N 3.123 123.015 119.914 -0.036 0.000 2.681 604 V HA -0.106 4.003 4.120 -0.019 0.000 0.306 604 V C 0.834 176.921 176.094 -0.012 0.000 1.077 604 V CA 1.233 63.527 62.300 -0.010 0.000 1.224 604 V CB -0.593 31.234 31.823 0.007 0.000 0.879 604 V HN 0.654 nan 8.190 nan 0.000 0.494 605 D N 2.795 123.198 120.400 0.006 0.000 2.457 605 D HA 0.702 5.331 4.640 -0.019 0.000 0.240 605 D C -0.204 176.102 176.300 0.011 0.000 1.041 605 D CA -0.187 53.833 54.000 0.033 0.000 0.861 605 D CB 2.227 43.094 40.800 0.112 0.000 1.394 605 D HN 0.735 nan 8.370 nan 0.000 0.473 606 T N -1.109 113.451 114.554 0.010 0.000 2.901 606 T HA 0.776 5.114 4.350 -0.019 0.000 0.293 606 T C -0.950 173.766 174.700 0.026 0.000 1.084 606 T CA -0.806 61.272 62.100 -0.037 0.000 1.008 606 T CB 1.527 70.351 68.868 -0.074 0.000 1.170 606 T HN 0.261 nan 8.240 nan 0.000 0.509 607 V N -0.312 119.589 119.914 -0.021 0.000 3.204 607 V HA 0.879 4.988 4.120 -0.019 0.000 0.298 607 V C -0.226 175.803 176.094 -0.109 0.000 1.328 607 V CA 0.534 62.890 62.300 0.094 0.000 1.035 607 V CB 1.712 33.648 31.823 0.190 0.000 1.095 607 V HN 1.699 nan 8.190 nan 0.000 0.442 608 G N 2.641 111.198 108.800 -0.405 0.000 2.393 608 G HA2 0.723 4.672 3.960 -0.019 0.000 0.264 608 G HA3 0.723 4.672 3.960 -0.019 0.000 0.264 608 G C -1.475 172.773 174.900 -1.087 0.000 1.221 608 G CA 0.227 44.874 45.100 -0.754 0.000 0.912 608 G HN 1.943 nan 8.290 nan 0.000 0.483 609 F N -1.104 118.458 119.950 -0.646 0.000 2.807 609 F HA 0.846 5.362 4.527 -0.019 0.000 0.316 609 F C -1.079 174.701 175.800 -0.033 0.000 1.162 609 F CA -0.980 56.839 58.000 -0.302 0.000 0.910 609 F CB 1.387 40.227 39.000 -0.267 0.000 1.314 609 F HN 0.855 nan 8.300 nan 0.000 0.454 610 K N 0.830 121.399 120.400 0.281 0.000 2.555 610 K HA 0.843 5.151 4.320 -0.019 0.000 0.279 610 K C -2.462 174.385 176.600 0.412 0.000 0.986 610 K CA -1.078 55.361 56.287 0.254 0.000 0.880 610 K CB 2.619 35.225 32.500 0.178 0.000 1.474 610 K HN 0.730 nan 8.250 nan 0.000 0.433 611 L N 1.289 122.756 121.223 0.407 0.000 2.381 611 L HA 0.566 4.895 4.340 -0.019 0.000 0.274 611 L C -0.547 176.610 176.870 0.478 0.000 0.988 611 L CA -0.627 54.477 54.840 0.439 0.000 0.824 611 L CB 2.032 44.363 42.059 0.454 0.000 1.263 611 L HN 0.534 nan 8.230 nan 0.000 0.410 612 R N 3.137 123.835 120.500 0.330 0.000 2.637 612 R HA 0.534 4.863 4.340 -0.019 0.000 0.291 612 R C -2.569 173.516 176.300 -0.357 0.000 0.963 612 R CA -1.923 54.245 56.100 0.113 0.000 0.901 612 R CB 1.917 32.315 30.300 0.163 0.000 1.160 612 R HN 0.285 nan 8.270 nan 0.000 0.457 613 P HA -0.051 nan 4.420 nan 0.000 0.266 613 P C -0.597 176.483 177.300 -0.367 0.000 1.195 613 P CA 0.229 62.680 63.100 -1.081 0.000 0.768 613 P CB 0.684 32.053 31.700 -0.552 0.000 0.838 614 E N 1.856 121.907 120.200 -0.249 0.000 2.675 614 E HA 0.432 4.770 4.350 -0.019 0.000 0.236 614 E C 0.701 177.297 176.600 -0.008 0.000 1.059 614 E CA -0.404 55.957 56.400 -0.066 0.000 0.775 614 E CB -0.628 29.054 29.700 -0.029 0.000 1.356 614 E HN 0.673 nan 8.360 nan 0.000 0.403 615 G N 3.385 112.190 108.800 0.008 0.000 2.179 615 G HA2 -0.362 3.587 3.960 -0.019 0.000 0.257 615 G HA3 -0.362 3.587 3.960 -0.019 0.000 0.257 615 G C 0.514 175.413 174.900 -0.001 0.000 1.010 615 G CA 0.464 45.572 45.100 0.013 0.000 0.736 615 G HN 0.543 nan 8.290 nan 0.000 0.513 616 F N -0.039 119.786 119.950 -0.207 0.000 2.187 616 F HA 0.485 5.001 4.527 -0.018 0.000 0.295 616 F C 1.267 176.789 175.800 -0.463 0.000 1.091 616 F CA 0.491 58.271 58.000 -0.366 0.000 1.308 616 F CB 0.068 38.734 39.000 -0.557 0.000 1.030 616 F HN 0.093 nan 8.300 nan 0.000 0.487 617 F N 0.440 120.405 119.950 0.025 0.000 2.411 617 F HA 0.241 4.757 4.527 -0.020 0.000 0.324 617 F C 1.347 177.103 175.800 -0.073 0.000 1.086 617 F CA -0.753 57.209 58.000 -0.064 0.000 1.028 617 F CB 0.271 39.243 39.000 -0.046 0.000 1.284 617 F HN -0.282 nan 8.300 nan 0.000 0.501 618 D N 0.028 120.514 120.400 0.142 0.000 2.340 618 D HA 0.083 4.712 4.640 -0.019 0.000 0.220 618 D C 0.324 176.653 176.300 0.049 0.000 1.039 618 D CA 0.553 54.585 54.000 0.053 0.000 0.866 618 D CB 0.282 41.097 40.800 0.025 0.000 0.913 618 D HN 0.519 nan 8.370 nan 0.000 0.523 619 R N -2.312 118.232 120.500 0.073 0.000 2.979 619 R HA 0.160 4.488 4.340 -0.019 0.000 0.286 619 R C -0.832 175.470 176.300 0.003 0.000 0.972 619 R CA -0.745 55.370 56.100 0.027 0.000 0.828 619 R CB 0.215 30.515 30.300 0.001 0.000 1.368 619 R HN -0.157 nan 8.270 nan 0.000 0.511 620 S N 1.048 116.726 115.700 -0.036 0.000 2.546 620 S HA 0.120 4.579 4.470 -0.019 0.000 0.290 620 S C -1.293 173.202 174.600 -0.175 0.000 1.290 620 S CA -0.770 57.377 58.200 -0.089 0.000 1.069 620 S CB 0.455 63.625 63.200 -0.051 0.000 0.846 620 S HN 0.499 nan 8.310 nan 0.000 0.495 621 P HA 0.114 nan 4.420 nan 0.000 0.257 621 P C 0.525 177.712 177.300 -0.188 0.000 1.281 621 P CA 0.157 62.975 63.100 -0.470 0.000 0.826 621 P CB -0.190 30.755 31.700 -1.259 0.000 1.237 622 V N -4.164 115.690 119.914 -0.100 0.000 3.121 622 V HA 0.214 4.323 4.120 -0.019 0.000 0.344 622 V C 1.734 177.849 176.094 0.035 0.000 1.390 622 V CA -0.098 62.197 62.300 -0.010 0.000 1.177 622 V CB -0.770 31.073 31.823 0.032 0.000 1.163 622 V HN -0.108 nan 8.190 nan 0.000 0.484 623 L N 1.459 122.692 121.223 0.016 0.000 2.275 623 L HA -0.018 4.311 4.340 -0.019 0.000 0.215 623 L C 2.095 179.001 176.870 0.060 0.000 1.119 623 L CA 1.637 56.507 54.840 0.050 0.000 0.790 623 L CB -0.324 41.741 42.059 0.010 0.000 0.919 623 L HN 0.562 nan 8.230 nan 0.000 0.443 624 D N -0.794 119.623 120.400 0.028 0.000 2.328 624 D HA -0.003 4.626 4.640 -0.019 0.000 0.221 624 D C 0.607 176.915 176.300 0.013 0.000 1.072 624 D CA -0.023 53.989 54.000 0.019 0.000 0.850 624 D CB -0.271 40.529 40.800 0.000 0.000 0.922 624 D HN -0.016 nan 8.370 nan 0.000 0.516 625 V N 3.278 123.206 119.914 0.024 0.000 2.521 625 V HA 0.160 4.269 4.120 -0.019 0.000 0.286 625 V C -1.519 174.577 176.094 0.003 0.000 1.034 625 V CA -1.054 61.249 62.300 0.005 0.000 1.045 625 V CB 0.814 32.645 31.823 0.013 0.000 0.974 625 V HN 0.187 nan 8.190 nan 0.000 0.480 626 P HA 0.174 nan 4.420 nan 0.000 0.272 626 P C 0.492 177.768 177.300 -0.040 0.000 1.240 626 P CA -0.177 62.914 63.100 -0.015 0.000 0.791 626 P CB 1.126 32.818 31.700 -0.014 0.000 0.978 627 A N 1.167 123.961 122.820 -0.044 0.000 1.877 627 A HA -0.126 4.183 4.320 -0.019 0.000 0.216 627 A C 0.781 178.333 177.584 -0.054 0.000 1.186 627 A CA 1.449 53.443 52.037 -0.072 0.000 0.620 627 A CB -1.115 17.853 19.000 -0.053 0.000 0.822 627 A HN 0.741 nan 8.150 nan 0.000 0.443 628 N N 0.000 118.682 118.700 -0.030 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.019 0.000 0.220 628 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 628 N CB 0.000 38.481 38.487 -0.009 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667