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 1ui8_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 GLTAFPRVED 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 52.037 52.037 0.000 0.000 0.836 9 A CB 0.000 19.006 19.000 0.010 0.000 0.831 10 S N 2.077 117.785 115.700 0.012 0.000 2.537 10 S HA 0.335 4.795 4.470 -0.017 0.000 0.286 10 S C -1.083 173.510 174.600 -0.012 0.000 1.299 10 S CA -0.206 58.016 58.200 0.036 0.000 1.067 10 S CB 0.654 63.909 63.200 0.091 0.000 0.864 10 S HN 0.409 nan 8.310 nan 0.000 0.494 11 P HA 0.012 nan 4.420 nan 0.000 0.239 11 P C 0.255 177.237 177.300 -0.529 0.000 1.184 11 P CA 0.786 63.699 63.100 -0.312 0.000 0.760 11 P CB -0.127 31.327 31.700 -0.410 0.000 0.884 12 F N 0.426 120.303 119.950 -0.122 0.000 2.664 12 F HA 0.208 4.725 4.527 -0.017 0.000 0.303 12 F C 1.568 177.299 175.800 -0.115 0.000 1.092 12 F CA -0.756 57.124 58.000 -0.200 0.000 1.305 12 F CB -0.145 38.723 39.000 -0.220 0.000 1.054 12 F HN -0.163 nan 8.300 nan 0.000 0.565 13 R N 0.695 121.222 120.500 0.045 0.000 2.784 13 R HA 0.271 4.601 4.340 -0.017 0.000 0.266 13 R C -0.159 176.160 176.300 0.031 0.000 1.044 13 R CA -0.479 55.654 56.100 0.056 0.000 1.151 13 R CB 0.434 30.758 30.300 0.040 0.000 1.037 13 R HN 0.138 nan 8.270 nan 0.000 0.478 14 L N 1.423 122.679 121.223 0.055 0.000 2.467 14 L HA 0.150 4.480 4.340 -0.017 0.000 0.270 14 L C 0.730 177.634 176.870 0.056 0.000 1.205 14 L CA -0.223 54.651 54.840 0.057 0.000 0.828 14 L CB 0.535 42.631 42.059 0.062 0.000 1.101 14 L HN 0.852 nan 8.230 nan 0.000 0.479 15 A N 2.202 125.066 122.820 0.074 0.000 2.477 15 A HA 0.361 4.671 4.320 -0.017 0.000 0.246 15 A C 0.335 177.992 177.584 0.120 0.000 1.078 15 A CA -0.198 51.934 52.037 0.158 0.000 0.770 15 A CB 0.078 19.233 19.000 0.257 0.000 1.011 15 A HN 0.747 nan 8.150 nan 0.000 0.494 16 S N 1.567 117.334 115.700 0.112 0.000 2.687 16 S HA 0.621 5.081 4.470 -0.017 0.000 0.283 16 S C 1.209 175.829 174.600 0.033 0.000 1.170 16 S CA -0.207 58.028 58.200 0.057 0.000 1.008 16 S CB 1.509 64.734 63.200 0.041 0.000 1.026 16 S HN 1.558 nan 8.310 nan 0.000 0.541 17 A N 1.664 124.491 122.820 0.011 0.000 1.908 17 A HA 0.092 4.402 4.320 -0.017 0.000 0.218 17 A C 2.170 179.738 177.584 -0.027 0.000 1.181 17 A CA 1.923 53.956 52.037 -0.007 0.000 0.627 17 A CB -1.873 17.123 19.000 -0.006 0.000 0.818 17 A HN 1.199 nan 8.150 nan 0.000 0.445 18 G N -0.569 108.219 108.800 -0.021 0.000 2.440 18 G HA2 -0.242 3.708 3.960 -0.017 0.000 0.218 18 G HA3 -0.242 3.708 3.960 -0.017 0.000 0.218 18 G C 1.438 176.296 174.900 -0.070 0.000 1.154 18 G CA 1.046 46.125 45.100 -0.035 0.000 0.767 18 G HN 0.675 nan 8.290 nan 0.000 0.552 19 E N -0.083 120.076 120.200 -0.069 0.000 2.072 19 E HA -0.042 4.298 4.350 -0.017 0.000 0.191 19 E C 2.529 178.914 176.600 -0.358 0.000 0.985 19 E CA 0.510 56.811 56.400 -0.165 0.000 0.801 19 E CB -0.123 29.563 29.700 -0.023 0.000 0.750 19 E HN 0.489 nan 8.360 nan 0.000 0.452 20 I N 0.822 121.241 120.570 -0.251 0.000 2.179 20 I HA -0.253 3.907 4.170 -0.017 0.000 0.242 20 I C 2.395 178.392 176.117 -0.200 0.000 1.088 20 I CA 0.813 61.954 61.300 -0.266 0.000 1.357 20 I CB -0.158 37.775 38.000 -0.113 0.000 1.051 20 I HN -0.008 nan 8.210 nan 0.000 0.409 21 S N 0.090 115.713 115.700 -0.128 0.000 2.382 21 S HA -0.225 4.235 4.470 -0.017 0.000 0.228 21 S C 1.895 176.431 174.600 -0.107 0.000 1.027 21 S CA 1.423 59.569 58.200 -0.090 0.000 0.991 21 S CB -0.213 62.953 63.200 -0.058 0.000 0.823 21 S HN 0.378 nan 8.310 nan 0.000 0.469 22 E N 1.126 121.243 120.200 -0.138 0.000 2.106 22 E HA -0.063 4.276 4.350 -0.017 0.000 0.192 22 E C 1.872 178.376 176.600 -0.161 0.000 0.984 22 E CA 0.792 57.113 56.400 -0.131 0.000 0.806 22 E CB -0.285 29.340 29.700 -0.125 0.000 0.750 22 E HN 0.241 nan 8.360 nan 0.000 0.458 23 V N 0.898 120.655 119.914 -0.262 0.000 2.343 23 V HA -0.280 3.830 4.120 -0.017 0.000 0.247 23 V C 2.551 178.562 176.094 -0.138 0.000 1.051 23 V CA 2.210 64.356 62.300 -0.256 0.000 1.036 23 V CB -0.602 30.962 31.823 -0.432 0.000 0.654 23 V HN 0.410 nan 8.190 nan 0.000 0.451 24 Q N 0.118 119.846 119.800 -0.119 0.000 2.061 24 Q HA -0.184 4.146 4.340 -0.017 0.000 0.204 24 Q C 2.270 178.244 176.000 -0.043 0.000 0.984 24 Q CA 2.147 57.915 55.803 -0.059 0.000 0.846 24 Q CB -0.508 28.205 28.738 -0.041 0.000 0.902 24 Q HN 0.643 nan 8.270 nan 0.000 0.421 25 G N 1.019 109.788 108.800 -0.052 0.000 2.418 25 G HA2 -0.241 3.709 3.960 -0.017 0.000 0.217 25 G HA3 -0.241 3.709 3.960 -0.017 0.000 0.217 25 G C 1.411 176.291 174.900 -0.034 0.000 1.158 25 G CA 0.966 46.043 45.100 -0.039 0.000 0.771 25 G HN 0.380 nan 8.290 nan 0.000 0.545 26 I N 0.288 120.831 120.570 -0.044 0.000 2.226 26 I HA -0.127 4.033 4.170 -0.017 0.000 0.245 26 I C 2.703 178.809 176.117 -0.019 0.000 1.100 26 I CA 0.689 61.969 61.300 -0.032 0.000 1.374 26 I CB -0.194 37.782 38.000 -0.040 0.000 1.057 26 I HN 0.128 nan 8.210 nan 0.000 0.413 27 L N 0.004 121.215 121.223 -0.020 0.000 2.056 27 L HA -0.171 4.159 4.340 -0.017 0.000 0.207 27 L C 2.777 179.647 176.870 0.000 0.000 1.078 27 L CA 1.285 56.123 54.840 -0.003 0.000 0.749 27 L CB -0.533 41.526 42.059 0.001 0.000 0.901 27 L HN 0.143 nan 8.230 nan 0.000 0.433 28 R N -0.572 119.925 120.500 -0.004 0.000 2.070 28 R HA -0.142 4.187 4.340 -0.017 0.000 0.233 28 R C 2.313 178.611 176.300 -0.004 0.000 1.137 28 R CA 2.012 58.112 56.100 -0.001 0.000 0.945 28 R CB -0.675 29.622 30.300 -0.004 0.000 0.845 28 R HN 0.286 nan 8.270 nan 0.000 0.430 29 T N 0.715 115.265 114.554 -0.008 0.000 2.737 29 T HA -0.173 4.167 4.350 -0.017 0.000 0.269 29 T C 1.686 176.383 174.700 -0.004 0.000 1.040 29 T CA 1.534 63.629 62.100 -0.007 0.000 1.142 29 T CB -0.187 68.675 68.868 -0.010 0.000 0.861 29 T HN 0.389 nan 8.240 nan 0.000 0.456 30 A N 0.226 123.045 122.820 -0.002 0.000 2.235 30 A HA 0.481 4.791 4.320 -0.017 0.000 0.208 30 A C 1.888 179.474 177.584 0.003 0.000 1.172 30 A CA 0.859 52.897 52.037 0.002 0.000 0.786 30 A CB -0.829 18.174 19.000 0.006 0.000 0.804 30 A HN 0.768 nan 8.150 nan 0.000 0.479 31 G N -1.279 107.523 108.800 0.002 0.000 2.160 31 G HA2 -0.244 3.706 3.960 -0.017 0.000 0.251 31 G HA3 -0.244 3.706 3.960 -0.017 0.000 0.251 31 G C 0.524 175.427 174.900 0.005 0.000 1.008 31 G CA 0.535 45.636 45.100 0.002 0.000 0.724 31 G HN 0.525 nan 8.290 nan 0.000 0.514 32 L N -1.372 119.857 121.223 0.009 0.000 2.640 32 L HA 0.477 4.807 4.340 -0.017 0.000 0.230 32 L C 1.118 178.000 176.870 0.020 0.000 1.123 32 L CA 0.102 54.951 54.840 0.015 0.000 0.900 32 L CB 0.588 42.660 42.059 0.022 0.000 1.146 32 L HN 0.195 nan 8.230 nan 0.000 0.484 33 L N 0.443 121.678 121.223 0.019 0.000 2.783 33 L HA 0.493 4.822 4.340 -0.017 0.000 0.265 33 L C 0.639 177.528 176.870 0.032 0.000 1.398 33 L CA -0.185 54.673 54.840 0.030 0.000 0.802 33 L CB 0.475 42.554 42.059 0.034 0.000 1.126 33 L HN -0.051 nan 8.230 nan 0.000 0.529 34 G N 0.398 109.212 108.800 0.023 0.000 2.611 34 G HA2 0.285 4.234 3.960 -0.017 0.000 0.273 34 G HA3 0.285 4.234 3.960 -0.017 0.000 0.273 34 G C -1.500 173.422 174.900 0.036 0.000 1.305 34 G CA -0.408 44.704 45.100 0.019 0.000 1.010 34 G HN 0.359 nan 8.290 nan 0.000 0.509 35 P HA -0.062 nan 4.420 nan 0.000 0.221 35 P C 0.843 178.181 177.300 0.064 0.000 1.145 35 P CA 1.010 64.134 63.100 0.039 0.000 0.795 35 P CB 0.345 32.049 31.700 0.007 0.000 0.775 36 E N -0.447 119.773 120.200 0.033 0.000 2.479 36 E HA 0.063 4.402 4.350 -0.017 0.000 0.193 36 E C 0.462 177.058 176.600 -0.007 0.000 1.049 36 E CA 0.395 56.801 56.400 0.011 0.000 0.870 36 E CB 0.141 29.826 29.700 -0.024 0.000 0.944 36 E HN 0.333 nan 8.360 nan 0.000 0.492 37 K N 1.425 121.843 120.400 0.030 0.000 2.118 37 K HA 0.383 4.693 4.320 -0.017 0.000 0.267 37 K C 0.357 176.994 176.600 0.061 0.000 0.991 37 K CA -0.531 55.767 56.287 0.019 0.000 0.916 37 K CB 1.509 34.027 32.500 0.030 0.000 1.041 37 K HN -0.172 nan 8.250 nan 0.000 0.455 38 R N 1.642 122.166 120.500 0.040 0.000 2.604 38 R HA 0.419 4.749 4.340 -0.017 0.000 0.281 38 R C -0.333 175.991 176.300 0.039 0.000 1.020 38 R CA -0.855 55.248 56.100 0.005 0.000 0.899 38 R CB 1.268 31.591 30.300 0.039 0.000 1.205 38 R HN 0.486 nan 8.270 nan 0.000 0.450 39 I N 2.710 123.267 120.570 -0.021 0.000 2.347 39 I HA 0.103 4.263 4.170 -0.017 0.000 0.294 39 I C 1.398 177.530 176.117 0.026 0.000 1.090 39 I CA 0.154 61.462 61.300 0.014 0.000 1.314 39 I CB 0.637 38.615 38.000 -0.036 0.000 1.423 39 I HN 0.707 nan 8.210 nan 0.000 0.503 40 A N 6.754 129.647 122.820 0.122 0.000 2.081 40 A HA -0.010 4.300 4.320 -0.017 0.000 0.214 40 A C 0.463 178.159 177.584 0.187 0.000 1.158 40 A CA 0.735 52.857 52.037 0.142 0.000 0.724 40 A CB 0.166 19.288 19.000 0.204 0.000 0.826 40 A HN 0.667 nan 8.150 nan 0.000 0.463 41 Y N -1.872 118.435 120.300 0.011 0.000 2.480 41 Y HA 0.565 5.105 4.550 -0.017 0.000 0.329 41 Y C -1.802 173.983 175.900 -0.192 0.000 1.127 41 Y CA -1.260 56.739 58.100 -0.168 0.000 1.037 41 Y CB 1.204 39.384 38.460 -0.466 0.000 1.320 41 Y HN 0.146 nan 8.280 nan 0.000 0.446 42 L N 5.559 126.107 121.223 -1.124 0.000 2.505 42 L HA 0.980 5.310 4.340 -0.017 0.000 0.266 42 L C -1.193 175.177 176.870 -0.833 0.000 0.954 42 L CA -0.210 54.170 54.840 -0.766 0.000 0.852 42 L CB 2.028 43.920 42.059 -0.279 0.000 1.282 42 L HN 0.942 nan 8.230 nan 0.000 0.403 43 G N 2.868 111.330 108.800 -0.563 0.000 2.720 43 G HA2 0.461 4.411 3.960 -0.017 0.000 0.295 43 G HA3 0.461 4.411 3.960 -0.017 0.000 0.295 43 G C -1.944 172.794 174.900 -0.271 0.000 1.437 43 G CA -0.541 44.382 45.100 -0.295 0.000 0.886 43 G HN 0.503 nan 8.290 nan 0.000 0.509 44 V N 1.688 121.283 119.914 -0.531 0.000 2.686 44 V HA 0.572 4.681 4.120 -0.017 0.000 0.295 44 V C 0.249 176.091 176.094 -0.419 0.000 1.055 44 V CA -0.429 61.298 62.300 -0.956 0.000 1.050 44 V CB 0.750 31.930 31.823 -1.071 0.000 0.984 44 V HN 0.566 nan 8.190 nan 0.000 0.482 45 L N 4.986 125.993 121.223 -0.360 0.000 2.379 45 L HA 0.490 4.820 4.340 -0.017 0.000 0.269 45 L C -0.041 176.706 176.870 -0.205 0.000 1.084 45 L CA -0.828 53.903 54.840 -0.182 0.000 0.802 45 L CB 1.034 43.025 42.059 -0.113 0.000 1.175 45 L HN 0.572 nan 8.230 nan 0.000 0.448 46 D N 1.590 121.916 120.400 -0.124 0.000 2.339 46 D HA 0.242 4.872 4.640 -0.017 0.000 0.245 46 D C -2.037 174.153 176.300 -0.184 0.000 1.115 46 D CA -0.931 52.977 54.000 -0.152 0.000 0.917 46 D CB 0.557 41.379 40.800 0.037 0.000 1.192 46 D HN 0.238 nan 8.370 nan 0.000 0.428 47 P HA 0.134 nan 4.420 nan 0.000 0.268 47 P C -0.720 176.524 177.300 -0.094 0.000 1.208 47 P CA -0.128 62.827 63.100 -0.241 0.000 0.777 47 P CB 0.477 31.957 31.700 -0.367 0.000 0.875 48 A N 3.026 125.807 122.820 -0.065 0.000 2.366 48 A HA 0.195 4.505 4.320 -0.017 0.000 0.249 48 A C 0.394 177.960 177.584 -0.031 0.000 1.084 48 A CA -0.307 51.714 52.037 -0.027 0.000 0.794 48 A CB 0.105 19.092 19.000 -0.021 0.000 1.034 48 A HN 0.396 nan 8.150 nan 0.000 0.491 49 R N 0.280 120.748 120.500 -0.053 0.000 2.458 49 R HA 0.270 4.600 4.340 -0.017 0.000 0.303 49 R C 1.145 177.419 176.300 -0.043 0.000 1.013 49 R CA 1.281 57.313 56.100 -0.112 0.000 1.026 49 R CB -0.293 29.887 30.300 -0.199 0.000 0.948 49 R HN 1.699 nan 8.270 nan 0.000 0.417 50 G N 1.574 110.372 108.800 -0.002 0.000 2.157 50 G HA2 -0.340 3.610 3.960 -0.017 0.000 0.239 50 G HA3 -0.340 3.610 3.960 -0.017 0.000 0.239 50 G C 0.896 175.807 174.900 0.019 0.000 0.982 50 G CA 0.381 45.493 45.100 0.020 0.000 0.650 50 G HN 0.680 nan 8.290 nan 0.000 0.527 51 A N 0.243 123.072 122.820 0.015 0.000 1.873 51 A HA 0.443 4.752 4.320 -0.017 0.000 0.215 51 A C 2.975 180.569 177.584 0.017 0.000 1.186 51 A CA 2.482 54.520 52.037 0.002 0.000 0.616 51 A CB -0.880 18.106 19.000 -0.024 0.000 0.823 51 A HN 2.460 nan 8.150 nan 0.000 0.442 52 G N -1.572 107.255 108.800 0.043 0.000 2.225 52 G HA2 -0.161 3.789 3.960 -0.017 0.000 0.267 52 G HA3 -0.161 3.789 3.960 -0.017 0.000 0.267 52 G C 0.650 175.573 174.900 0.038 0.000 1.024 52 G CA 0.955 46.086 45.100 0.051 0.000 0.784 52 G HN 1.455 nan 8.290 nan 0.000 0.507 53 S N -1.671 114.045 115.700 0.027 0.000 3.382 53 S HA -0.189 4.271 4.470 -0.017 0.000 0.293 53 S C 0.422 175.020 174.600 -0.003 0.000 1.262 53 S CA 1.571 59.776 58.200 0.008 0.000 0.969 53 S CB -0.582 62.636 63.200 0.030 0.000 1.136 53 S HN 0.826 nan 8.310 nan 0.000 0.635 54 E N 1.371 121.570 120.200 -0.003 0.000 2.044 54 E HA 0.582 4.921 4.350 -0.017 0.000 0.282 54 E C 0.358 176.951 176.600 -0.012 0.000 1.031 54 E CA 0.747 57.144 56.400 -0.004 0.000 0.824 54 E CB 0.856 30.557 29.700 0.001 0.000 1.076 54 E HN 0.984 nan 8.360 nan 0.000 0.395 55 A N 3.696 126.508 122.820 -0.014 0.000 2.109 55 A HA -0.196 4.114 4.320 -0.017 0.000 0.556 55 A C 0.214 177.781 177.584 -0.027 0.000 0.434 55 A CA 0.808 52.836 52.037 -0.016 0.000 0.334 55 A CB -1.201 17.792 19.000 -0.012 0.000 3.228 55 A HN 0.645 nan 8.150 nan 0.000 0.445 56 E N 1.882 122.064 120.200 -0.030 0.000 2.289 56 E HA 0.547 4.887 4.350 -0.017 0.000 0.278 56 E C -0.348 176.230 176.600 -0.037 0.000 1.032 56 E CA -0.237 56.136 56.400 -0.045 0.000 0.854 56 E CB 1.321 30.994 29.700 -0.044 0.000 1.046 56 E HN 0.449 nan 8.360 nan 0.000 0.409 57 D N 3.337 123.706 120.400 -0.052 0.000 2.378 57 D HA 0.122 4.752 4.640 -0.017 0.000 0.265 57 D C -0.945 175.328 176.300 -0.045 0.000 1.229 57 D CA -0.682 53.298 54.000 -0.033 0.000 0.914 57 D CB 0.434 41.218 40.800 -0.028 0.000 1.140 57 D HN 0.275 nan 8.370 nan 0.000 0.516 58 R N 3.018 123.509 120.500 -0.016 0.000 2.288 58 R HA 0.331 4.661 4.340 -0.017 0.000 0.330 58 R C 0.233 176.584 176.300 0.085 0.000 1.069 58 R CA -0.123 55.974 56.100 -0.006 0.000 0.941 58 R CB 0.561 30.904 30.300 0.071 0.000 0.998 58 R HN 0.336 nan 8.270 nan 0.000 0.452 59 R N 2.360 122.857 120.500 -0.006 0.000 2.604 59 R HA 0.486 4.816 4.340 -0.017 0.000 0.287 59 R C -0.651 175.652 176.300 0.005 0.000 0.970 59 R CA -0.586 55.557 56.100 0.072 0.000 0.946 59 R CB 1.331 31.638 30.300 0.011 0.000 1.127 59 R HN 0.243 nan 8.270 nan 0.000 0.473 60 F N 0.583 120.516 119.950 -0.030 0.000 2.551 60 F HA 0.465 4.981 4.527 -0.017 0.000 0.316 60 F C 0.296 176.089 175.800 -0.013 0.000 1.089 60 F CA -0.814 57.162 58.000 -0.040 0.000 0.915 60 F CB 1.940 40.903 39.000 -0.060 0.000 1.186 60 F HN 0.190 nan 8.300 nan 0.000 0.456 61 R N 1.946 122.529 120.500 0.139 0.000 2.460 61 R HA 0.859 5.189 4.340 -0.017 0.000 0.303 61 R C -1.822 174.534 176.300 0.094 0.000 0.968 61 R CA -0.553 55.639 56.100 0.153 0.000 0.889 61 R CB 1.478 31.888 30.300 0.183 0.000 1.123 61 R HN 0.541 nan 8.270 nan 0.000 0.455 62 V N 4.486 124.492 119.914 0.154 0.000 2.709 62 V HA 0.504 4.613 4.120 -0.017 0.000 0.308 62 V C -1.113 175.223 176.094 0.403 0.000 1.062 62 V CA -0.861 61.512 62.300 0.122 0.000 0.901 62 V CB 1.911 33.790 31.823 0.092 0.000 1.003 62 V HN 0.558 nan 8.190 nan 0.000 0.425 63 F N 4.047 124.151 119.950 0.257 0.000 2.411 63 F HA 0.637 5.154 4.527 -0.017 0.000 0.352 63 F C 0.098 175.990 175.800 0.153 0.000 1.123 63 F CA -1.767 56.379 58.000 0.244 0.000 1.044 63 F CB 1.316 40.510 39.000 0.324 0.000 1.135 63 F HN 0.225 nan 8.300 nan 0.000 0.461 64 I N 3.880 124.625 120.570 0.291 0.000 2.362 64 I HA 0.226 4.386 4.170 -0.017 0.000 0.289 64 I C -0.307 175.901 176.117 0.152 0.000 0.994 64 I CA -0.732 60.674 61.300 0.177 0.000 1.158 64 I CB 1.478 39.545 38.000 0.111 0.000 1.315 64 I HN 0.530 nan 8.210 nan 0.000 0.451 65 H N 5.724 124.821 119.070 0.044 0.000 2.483 65 H HA 0.356 4.901 4.556 -0.017 0.000 0.338 65 H C -1.179 174.150 175.328 0.000 0.000 1.152 65 H CA -0.367 55.685 56.048 0.007 0.000 1.264 65 H CB 1.482 31.243 29.762 -0.000 0.000 1.510 65 H HN 0.493 nan 8.280 nan 0.000 0.530 66 D N 4.086 124.048 120.400 -0.731 0.000 2.471 66 D HA 0.072 4.702 4.640 -0.017 0.000 0.245 66 D C 1.161 177.026 176.300 -0.724 0.000 1.116 66 D CA -0.457 53.228 54.000 -0.526 0.000 0.853 66 D CB 1.439 42.091 40.800 -0.248 0.000 1.123 66 D HN 0.500 nan 8.370 nan 0.000 0.540 67 V N 2.278 121.925 119.914 -0.446 0.000 3.026 67 V HA -0.118 3.991 4.120 -0.017 0.000 0.265 67 V C 1.613 177.649 176.094 -0.096 0.000 1.121 67 V CA 1.916 64.104 62.300 -0.186 0.000 1.142 67 V CB -0.799 31.013 31.823 -0.018 0.000 0.730 67 V HN 0.495 nan 8.190 nan 0.000 0.503 68 S N -0.415 115.219 115.700 -0.111 0.000 2.548 68 S HA 0.445 4.905 4.470 -0.017 0.000 0.215 68 S C 1.702 176.268 174.600 -0.058 0.000 0.976 68 S CA 0.764 58.927 58.200 -0.061 0.000 0.908 68 S CB 0.346 63.516 63.200 -0.049 0.000 0.781 68 S HN 1.745 nan 8.310 nan 0.000 0.519 69 G N 0.556 109.305 108.800 -0.085 0.000 2.179 69 G HA2 -0.042 3.907 3.960 -0.017 0.000 0.220 69 G HA3 -0.042 3.907 3.960 -0.017 0.000 0.220 69 G C 0.311 175.174 174.900 -0.061 0.000 0.990 69 G CA -0.145 44.922 45.100 -0.054 0.000 0.646 69 G HN 1.190 nan 8.290 nan 0.000 0.517 70 A N 0.430 123.201 122.820 -0.080 0.000 2.406 70 A HA 0.645 4.955 4.320 -0.017 0.000 0.243 70 A C 0.915 178.454 177.584 -0.075 0.000 1.082 70 A CA 0.196 52.192 52.037 -0.069 0.000 0.786 70 A CB 0.192 19.152 19.000 -0.067 0.000 1.029 70 A HN 0.548 nan 8.150 nan 0.000 0.495 71 R N 1.372 121.833 120.500 -0.064 0.000 2.570 71 R HA 0.179 4.509 4.340 -0.017 0.000 0.277 71 R C -2.104 174.152 176.300 -0.074 0.000 1.039 71 R CA -0.838 55.219 56.100 -0.072 0.000 1.065 71 R CB -0.015 30.241 30.300 -0.073 0.000 0.964 71 R HN 0.601 nan 8.270 nan 0.000 0.428 72 P HA 0.057 nan 4.420 nan 0.000 0.277 72 P C -1.038 176.218 177.300 -0.073 0.000 1.271 72 P CA -0.259 62.805 63.100 -0.059 0.000 0.795 72 P CB 0.887 32.554 31.700 -0.054 0.000 1.101 73 Q N -0.779 119.008 119.800 -0.022 0.000 2.421 73 Q HA 0.384 4.714 4.340 -0.017 0.000 0.280 73 Q C -0.877 175.174 176.000 0.084 0.000 1.085 73 Q CA -0.699 55.106 55.803 0.003 0.000 0.807 73 Q CB 2.698 31.453 28.738 0.028 0.000 1.405 73 Q HN 0.464 nan 8.270 nan 0.000 0.419 74 E N 1.689 121.952 120.200 0.105 0.000 2.145 74 E HA 0.492 4.832 4.350 -0.017 0.000 0.270 74 E C -1.521 175.205 176.600 0.211 0.000 0.906 74 E CA -0.543 56.014 56.400 0.262 0.000 0.761 74 E CB 1.459 31.320 29.700 0.267 0.000 1.116 74 E HN 0.321 nan 8.360 nan 0.000 0.408 75 V N 3.322 123.381 119.914 0.242 0.000 2.709 75 V HA 0.390 4.500 4.120 -0.017 0.000 0.308 75 V C -0.295 175.896 176.094 0.162 0.000 1.062 75 V CA -0.793 61.604 62.300 0.161 0.000 0.901 75 V CB 2.191 34.087 31.823 0.122 0.000 1.003 75 V HN 0.703 nan 8.190 nan 0.000 0.425 76 T N 3.904 118.532 114.554 0.123 0.000 2.792 76 T HA 0.639 4.979 4.350 -0.017 0.000 0.280 76 T C -0.432 174.322 174.700 0.090 0.000 0.990 76 T CA -0.395 61.773 62.100 0.113 0.000 0.960 76 T CB 1.498 70.422 68.868 0.093 0.000 0.939 76 T HN 0.818 nan 8.240 nan 0.000 0.439 77 V N 1.115 121.091 119.914 0.103 0.000 2.769 77 V HA 0.877 4.987 4.120 -0.017 0.000 0.312 77 V C -0.093 176.059 176.094 0.097 0.000 1.061 77 V CA -0.858 61.489 62.300 0.077 0.000 0.931 77 V CB 2.118 33.968 31.823 0.044 0.000 1.010 77 V HN 0.758 nan 8.190 nan 0.000 0.433 78 S N 2.958 118.696 115.700 0.063 0.000 2.423 78 S HA 0.310 4.770 4.470 -0.017 0.000 0.317 78 S C 0.621 175.252 174.600 0.053 0.000 1.065 78 S CA 0.119 58.359 58.200 0.066 0.000 1.111 78 S CB 0.964 64.186 63.200 0.036 0.000 0.968 78 S HN 1.249 nan 8.310 nan 0.000 0.474 79 V N 5.455 125.421 119.914 0.086 0.000 2.626 79 V HA -0.079 4.031 4.120 -0.017 0.000 0.252 79 V C 2.036 178.140 176.094 0.017 0.000 1.067 79 V CA 2.658 64.966 62.300 0.015 0.000 1.081 79 V CB -0.801 31.001 31.823 -0.035 0.000 0.686 79 V HN 0.991 nan 8.190 nan 0.000 0.468 80 T N 0.899 115.476 114.554 0.039 0.000 2.737 80 T HA -0.116 4.224 4.350 -0.017 0.000 0.265 80 T C 1.604 176.308 174.700 0.007 0.000 1.038 80 T CA 1.749 63.861 62.100 0.019 0.000 1.144 80 T CB -0.333 68.544 68.868 0.015 0.000 0.866 80 T HN 0.500 nan 8.240 nan 0.000 0.434 81 N N 0.490 119.196 118.700 0.009 0.000 2.412 81 N HA 0.131 4.861 4.740 -0.017 0.000 0.184 81 N C 1.352 176.862 175.510 0.001 0.000 1.101 81 N CA 0.684 53.736 53.050 0.004 0.000 0.881 81 N CB 0.150 38.641 38.487 0.006 0.000 0.969 81 N HN 0.554 nan 8.380 nan 0.000 0.459 82 G N 1.425 110.224 108.800 -0.002 0.000 2.246 82 G HA2 -0.267 3.683 3.960 -0.017 0.000 0.273 82 G HA3 -0.267 3.683 3.960 -0.017 0.000 0.273 82 G C 0.148 175.045 174.900 -0.004 0.000 1.055 82 G CA 0.976 46.070 45.100 -0.009 0.000 0.851 82 G HN 0.518 nan 8.290 nan 0.000 0.500 83 T N -3.694 110.862 114.554 0.004 0.000 2.916 83 T HA 0.716 5.056 4.350 -0.017 0.000 0.292 83 T C -0.369 174.340 174.700 0.015 0.000 1.064 83 T CA -0.662 61.443 62.100 0.008 0.000 1.011 83 T CB 2.843 71.717 68.868 0.010 0.000 1.152 83 T HN 0.749 nan 8.240 nan 0.000 0.510 84 V N 3.234 123.158 119.914 0.017 0.000 2.350 84 V HA 0.222 4.332 4.120 -0.017 0.000 0.276 84 V C 1.000 177.111 176.094 0.028 0.000 1.028 84 V CA -0.746 61.570 62.300 0.026 0.000 0.860 84 V CB 0.653 32.490 31.823 0.024 0.000 0.990 84 V HN 0.815 nan 8.190 nan 0.000 0.453 85 I N 3.247 123.838 120.570 0.035 0.000 2.286 85 I HA 0.001 4.161 4.170 -0.017 0.000 0.245 85 I C 1.065 177.201 176.117 0.033 0.000 1.104 85 I CA 1.212 62.531 61.300 0.032 0.000 1.397 85 I CB -0.518 37.503 38.000 0.036 0.000 1.072 85 I HN 0.785 nan 8.210 nan 0.000 0.417 86 S N -0.545 115.181 115.700 0.043 0.000 2.547 86 S HA 0.813 5.273 4.470 -0.017 0.000 0.270 86 S C -0.930 173.703 174.600 0.055 0.000 1.150 86 S CA -0.547 57.679 58.200 0.043 0.000 0.850 86 S CB 2.502 65.728 63.200 0.045 0.000 1.118 86 S HN 0.325 nan 8.310 nan 0.000 0.461 87 A N 1.076 123.924 122.820 0.047 0.000 2.466 87 A HA 0.742 5.051 4.320 -0.017 0.000 0.284 87 A C -0.608 176.997 177.584 0.036 0.000 1.049 87 A CA -0.426 51.641 52.037 0.051 0.000 0.760 87 A CB 0.946 19.970 19.000 0.039 0.000 1.274 87 A HN 2.128 nan 8.150 nan 0.000 0.412 88 V N -0.140 119.797 119.914 0.039 0.000 2.735 88 V HA 0.752 4.862 4.120 -0.017 0.000 0.310 88 V C -0.249 175.839 176.094 -0.010 0.000 1.061 88 V CA -0.766 61.542 62.300 0.014 0.000 0.913 88 V CB 1.672 33.505 31.823 0.017 0.000 1.005 88 V HN 0.923 nan 8.190 nan 0.000 0.428 89 E N 3.094 123.276 120.200 -0.030 0.000 2.259 89 E HA 0.533 4.873 4.350 -0.017 0.000 0.281 89 E C -1.167 175.375 176.600 -0.096 0.000 1.027 89 E CA -0.644 55.722 56.400 -0.056 0.000 0.838 89 E CB 1.288 30.960 29.700 -0.047 0.000 1.066 89 E HN 0.767 nan 8.360 nan 0.000 0.401 90 L N 3.728 124.860 121.223 -0.152 0.000 2.289 90 L HA 0.267 4.597 4.340 -0.017 0.000 0.285 90 L C 0.086 176.832 176.870 -0.207 0.000 1.049 90 L CA -0.708 53.990 54.840 -0.238 0.000 0.804 90 L CB 1.187 42.984 42.059 -0.437 0.000 1.195 90 L HN 0.508 nan 8.230 nan 0.000 0.428 91 D N 1.716 122.003 120.400 -0.187 0.000 2.479 91 D HA 0.044 4.674 4.640 -0.017 0.000 0.218 91 D C 1.314 177.503 176.300 -0.184 0.000 1.131 91 D CA -0.231 53.682 54.000 -0.145 0.000 0.916 91 D CB 1.264 42.004 40.800 -0.099 0.000 1.022 91 D HN 0.703 nan 8.370 nan 0.000 0.515 92 T N 0.871 115.305 114.554 -0.200 0.000 2.803 92 T HA -0.165 4.175 4.350 -0.017 0.000 0.269 92 T C 1.871 176.490 174.700 -0.135 0.000 1.052 92 T CA 1.069 63.037 62.100 -0.221 0.000 1.136 92 T CB -0.120 68.626 68.868 -0.202 0.000 0.864 92 T HN 0.256 nan 8.240 nan 0.000 0.467 93 A N 1.353 124.121 122.820 -0.087 0.000 2.019 93 A HA 0.380 4.689 4.320 -0.017 0.000 0.219 93 A C 2.656 180.228 177.584 -0.019 0.000 1.164 93 A CA 1.730 53.740 52.037 -0.045 0.000 0.644 93 A CB -1.092 17.884 19.000 -0.038 0.000 0.805 93 A HN 0.786 nan 8.150 nan 0.000 0.449 94 A N -0.799 121.997 122.820 -0.040 0.000 1.881 94 A HA 0.100 4.410 4.320 -0.017 0.000 0.210 94 A C 2.261 179.861 177.584 0.027 0.000 1.239 94 A CA 1.855 53.889 52.037 -0.005 0.000 0.629 94 A CB -0.909 18.073 19.000 -0.031 0.000 0.906 94 A HN 0.685 nan 8.150 nan 0.000 0.460 95 T N -3.378 111.097 114.554 -0.131 0.000 3.081 95 T HA 0.464 4.804 4.350 -0.017 0.000 0.250 95 T C 0.845 175.136 174.700 -0.682 0.000 1.100 95 T CA 0.872 62.786 62.100 -0.310 0.000 1.038 95 T CB -0.150 68.583 68.868 -0.226 0.000 0.962 95 T HN 1.929 nan 8.240 nan 0.000 0.516 96 G N 0.919 109.459 108.800 -0.433 0.000 2.640 96 G HA2 0.076 4.025 3.960 -0.017 0.000 0.686 96 G HA3 0.076 4.025 3.960 -0.017 0.000 0.686 96 G C -1.114 173.604 174.900 -0.303 0.000 1.229 96 G CA -1.082 43.826 45.100 -0.320 0.000 0.796 96 G HN 0.232 nan 8.290 nan 0.000 0.654 97 E N 0.369 120.469 120.200 -0.167 0.000 2.374 97 E HA 0.468 4.808 4.350 -0.017 0.000 0.260 97 E C 1.218 177.741 176.600 -0.128 0.000 1.101 97 E CA -0.472 55.827 56.400 -0.170 0.000 0.907 97 E CB 0.941 30.576 29.700 -0.108 0.000 1.014 97 E HN 0.507 nan 8.360 nan 0.000 0.427 98 L N 1.876 123.027 121.223 -0.120 0.000 2.472 98 L HA 0.186 4.516 4.340 -0.017 0.000 0.260 98 L C -1.914 174.971 176.870 0.025 0.000 1.209 98 L CA -1.724 53.125 54.840 0.015 0.000 0.817 98 L CB -0.269 41.815 42.059 0.040 0.000 1.106 98 L HN 0.150 nan 8.230 nan 0.000 0.479 99 P HA -0.014 nan 4.420 nan 0.000 0.268 99 P C -0.658 176.633 177.300 -0.015 0.000 1.208 99 P CA -0.287 62.847 63.100 0.057 0.000 0.777 99 P CB 0.403 32.184 31.700 0.134 0.000 0.875 100 V N 3.422 123.312 119.914 -0.039 0.000 2.673 100 V HA -0.043 4.067 4.120 -0.017 0.000 0.303 100 V C 0.792 176.794 176.094 -0.153 0.000 1.046 100 V CA 0.299 62.506 62.300 -0.155 0.000 1.126 100 V CB -0.392 31.324 31.823 -0.179 0.000 0.934 100 V HN 0.326 nan 8.190 nan 0.000 0.487 101 L N 3.518 124.581 121.223 -0.267 0.000 2.350 101 L HA 0.264 4.593 4.340 -0.017 0.000 0.275 101 L C 1.627 178.362 176.870 -0.225 0.000 1.099 101 L CA -0.011 54.722 54.840 -0.178 0.000 0.808 101 L CB 0.822 42.774 42.059 -0.179 0.000 1.149 101 L HN 0.769 nan 8.230 nan 0.000 0.442 102 E N 1.921 122.145 120.200 0.041 0.000 2.160 102 E HA -0.261 4.078 4.350 -0.017 0.000 0.195 102 E C 1.587 178.290 176.600 0.172 0.000 0.991 102 E CA 1.775 58.347 56.400 0.287 0.000 0.810 102 E CB 0.233 30.143 29.700 0.350 0.000 0.742 102 E HN 0.788 nan 8.360 nan 0.000 0.466 103 E N 0.149 120.372 120.200 0.039 0.000 2.204 103 E HA -0.208 4.132 4.350 -0.017 0.000 0.194 103 E C 1.551 178.152 176.600 0.001 0.000 0.989 103 E CA 1.087 57.512 56.400 0.042 0.000 0.824 103 E CB -0.161 29.550 29.700 0.018 0.000 0.756 103 E HN 0.372 nan 8.360 nan 0.000 0.477 104 E N -0.057 120.066 120.200 -0.128 0.000 2.347 104 E HA -0.069 4.271 4.350 -0.017 0.000 0.196 104 E C 1.399 177.944 176.600 -0.092 0.000 1.008 104 E CA 0.453 56.762 56.400 -0.151 0.000 0.852 104 E CB -0.114 29.431 29.700 -0.257 0.000 0.783 104 E HN 0.249 nan 8.360 nan 0.000 0.505 105 F N 2.069 122.061 119.950 0.071 0.000 2.075 105 F HA -0.195 4.322 4.527 -0.017 0.000 0.297 105 F C 2.442 178.271 175.800 0.048 0.000 1.113 105 F CA 1.622 59.664 58.000 0.070 0.000 1.218 105 F CB -0.780 38.265 39.000 0.076 0.000 0.984 105 F HN 0.092 nan 8.300 nan 0.000 0.472 106 E N 0.008 120.350 120.200 0.237 0.000 2.204 106 E HA -0.143 4.196 4.350 -0.017 0.000 0.195 106 E C 2.121 178.770 176.600 0.083 0.000 0.990 106 E CA 1.471 57.954 56.400 0.139 0.000 0.821 106 E CB -0.893 28.877 29.700 0.117 0.000 0.750 106 E HN 0.248 nan 8.360 nan 0.000 0.477 107 V N 1.733 121.687 119.914 0.066 0.000 2.324 107 V HA -0.303 3.806 4.120 -0.017 0.000 0.250 107 V C 2.526 178.620 176.094 -0.002 0.000 1.060 107 V CA 1.762 64.077 62.300 0.026 0.000 1.042 107 V CB -0.418 31.412 31.823 0.011 0.000 0.650 107 V HN 0.225 nan 8.190 nan 0.000 0.450 108 V N -0.202 119.717 119.914 0.008 0.000 2.252 108 V HA -0.361 3.748 4.120 -0.017 0.000 0.249 108 V C 2.436 178.462 176.094 -0.113 0.000 1.056 108 V CA 2.601 64.873 62.300 -0.046 0.000 1.022 108 V CB -0.654 31.172 31.823 0.005 0.000 0.641 108 V HN 0.675 nan 8.190 nan 0.000 0.445 109 E N -0.515 119.654 120.200 -0.053 0.000 2.106 109 E HA -0.256 4.083 4.350 -0.017 0.000 0.192 109 E C 2.301 178.864 176.600 -0.060 0.000 0.984 109 E CA 1.309 57.671 56.400 -0.063 0.000 0.806 109 E CB -0.053 29.658 29.700 0.018 0.000 0.750 109 E HN 0.704 nan 8.360 nan 0.000 0.458 110 Q N 0.251 120.035 119.800 -0.027 0.000 2.030 110 Q HA -0.179 4.150 4.340 -0.017 0.000 0.204 110 Q C 2.441 178.417 176.000 -0.039 0.000 0.986 110 Q CA 1.616 57.410 55.803 -0.014 0.000 0.843 110 Q CB -0.121 28.620 28.738 0.005 0.000 0.904 110 Q HN 0.352 nan 8.270 nan 0.000 0.420 111 L N 0.239 121.422 121.223 -0.067 0.000 2.056 111 L HA -0.190 4.140 4.340 -0.017 0.000 0.207 111 L C 2.337 179.129 176.870 -0.130 0.000 1.078 111 L CA 0.885 55.677 54.840 -0.081 0.000 0.749 111 L CB -0.417 41.590 42.059 -0.086 0.000 0.901 111 L HN 0.270 nan 8.230 nan 0.000 0.433 112 L N -0.241 120.827 121.223 -0.258 0.000 2.131 112 L HA -0.177 4.153 4.340 -0.017 0.000 0.210 112 L C 2.807 179.568 176.870 -0.182 0.000 1.092 112 L CA 0.898 55.459 54.840 -0.467 0.000 0.759 112 L CB -0.700 40.664 42.059 -1.160 0.000 0.903 112 L HN 0.246 nan 8.230 nan 0.000 0.435 113 A N -0.198 122.593 122.820 -0.048 0.000 2.076 113 A HA -0.183 4.127 4.320 -0.017 0.000 0.220 113 A C 2.072 179.717 177.584 0.101 0.000 1.160 113 A CA 2.086 54.183 52.037 0.099 0.000 0.653 113 A CB -0.676 18.365 19.000 0.068 0.000 0.801 113 A HN 0.522 nan 8.150 nan 0.000 0.455 114 T N -3.484 111.102 114.554 0.053 0.000 3.132 114 T HA 0.281 4.620 4.350 -0.017 0.000 0.274 114 T C -0.155 174.578 174.700 0.054 0.000 1.011 114 T CA 0.179 62.310 62.100 0.052 0.000 0.899 114 T CB -0.312 68.572 68.868 0.028 0.000 1.089 114 T HN 0.305 nan 8.240 nan 0.000 0.543 115 D N 1.970 122.414 120.400 0.073 0.000 2.277 115 D HA 0.162 4.791 4.640 -0.017 0.000 0.249 115 D C 1.473 177.847 176.300 0.123 0.000 1.134 115 D CA -0.461 53.586 54.000 0.077 0.000 0.863 115 D CB 1.201 42.036 40.800 0.059 0.000 1.143 115 D HN 0.458 nan 8.370 nan 0.000 0.458 116 E N 3.571 123.818 120.200 0.079 0.000 2.150 116 E HA -0.233 4.107 4.350 -0.017 0.000 0.193 116 E C 1.432 178.077 176.600 0.075 0.000 0.985 116 E CA 0.670 57.110 56.400 0.067 0.000 0.814 116 E CB 0.089 29.812 29.700 0.039 0.000 0.752 116 E HN 0.430 nan 8.360 nan 0.000 0.466 117 R N 0.021 120.574 120.500 0.088 0.000 2.075 117 R HA -0.073 4.257 4.340 -0.017 0.000 0.232 117 R C 2.179 178.561 176.300 0.136 0.000 1.126 117 R CA 1.697 57.847 56.100 0.084 0.000 0.963 117 R CB -0.476 29.868 30.300 0.073 0.000 0.858 117 R HN 0.443 nan 8.270 nan 0.000 0.435 118 W N 1.454 122.736 121.300 -0.030 0.000 2.379 118 W HA -0.140 4.510 4.660 -0.017 0.000 0.307 118 W C 1.449 177.957 176.519 -0.019 0.000 1.200 118 W CA 1.189 58.518 57.345 -0.027 0.000 1.297 118 W CB -0.110 29.337 29.460 -0.021 0.000 1.140 118 W HN 0.081 nan 8.180 nan 0.000 0.507 119 L N 0.767 122.079 121.223 0.148 0.000 2.083 119 L HA -0.246 4.084 4.340 -0.017 0.000 0.209 119 L C 2.623 179.464 176.870 -0.048 0.000 1.083 119 L CA 1.561 56.418 54.840 0.028 0.000 0.752 119 L CB -0.858 41.245 42.059 0.074 0.000 0.899 119 L HN -0.081 nan 8.230 nan 0.000 0.433 120 K N 0.278 120.660 120.400 -0.030 0.000 2.103 120 K HA -0.129 4.181 4.320 -0.017 0.000 0.204 120 K C 2.151 178.694 176.600 -0.096 0.000 1.052 120 K CA 1.085 57.344 56.287 -0.047 0.000 0.945 120 K CB 0.012 32.499 32.500 -0.023 0.000 0.722 120 K HN 0.257 nan 8.250 nan 0.000 0.443 121 A N 1.376 124.109 122.820 -0.145 0.000 1.898 121 A HA -0.099 4.210 4.320 -0.017 0.000 0.216 121 A C 2.070 179.494 177.584 -0.267 0.000 1.181 121 A CA 1.069 52.981 52.037 -0.209 0.000 0.620 121 A CB -0.512 18.318 19.000 -0.283 0.000 0.819 121 A HN 0.275 nan 8.150 nan 0.000 0.442 122 L N -0.865 120.150 121.223 -0.345 0.000 2.056 122 L HA -0.176 4.154 4.340 -0.017 0.000 0.207 122 L C 3.098 179.867 176.870 -0.168 0.000 1.078 122 L CA 1.085 55.743 54.840 -0.303 0.000 0.749 122 L CB -0.654 41.212 42.059 -0.322 0.000 0.901 122 L HN 0.446 nan 8.230 nan 0.000 0.433 123 A N 0.202 122.947 122.820 -0.126 0.000 1.933 123 A HA -0.144 4.166 4.320 -0.017 0.000 0.218 123 A C 2.480 180.018 177.584 -0.075 0.000 1.175 123 A CA 1.590 53.579 52.037 -0.080 0.000 0.628 123 A CB -0.589 18.377 19.000 -0.057 0.000 0.814 123 A HN 0.403 nan 8.150 nan 0.000 0.444 124 A N -0.884 121.884 122.820 -0.086 0.000 2.125 124 A HA -0.063 4.246 4.320 -0.017 0.000 0.219 124 A C 2.076 179.617 177.584 -0.073 0.000 1.156 124 A CA 1.398 53.391 52.037 -0.073 0.000 0.671 124 A CB -0.279 18.675 19.000 -0.076 0.000 0.794 124 A HN 0.504 nan 8.150 nan 0.000 0.459 125 R N -1.018 119.428 120.500 -0.089 0.000 2.472 125 R HA 0.102 4.432 4.340 -0.017 0.000 0.279 125 R C -0.307 175.951 176.300 -0.069 0.000 0.953 125 R CA 0.068 56.121 56.100 -0.079 0.000 1.088 125 R CB 0.312 30.551 30.300 -0.101 0.000 1.197 125 R HN 0.455 nan 8.270 nan 0.000 0.536 126 N N 0.791 119.452 118.700 -0.066 0.000 2.735 126 N HA -0.191 4.538 4.740 -0.017 0.000 0.248 126 N C -1.052 174.424 175.510 -0.057 0.000 1.083 126 N CA 0.991 54.009 53.050 -0.053 0.000 0.703 126 N CB -1.411 37.052 38.487 -0.040 0.000 1.005 126 N HN 0.263 nan 8.380 nan 0.000 0.550 127 L N 0.218 121.396 121.223 -0.075 0.000 2.295 127 L HA 0.334 4.664 4.340 -0.017 0.000 0.285 127 L C 0.665 177.500 176.870 -0.059 0.000 1.035 127 L CA -0.851 53.944 54.840 -0.075 0.000 0.806 127 L CB 1.345 43.341 42.059 -0.106 0.000 1.214 127 L HN -0.095 nan 8.230 nan 0.000 0.426 128 D N 2.201 122.578 120.400 -0.037 0.000 2.339 128 D HA 0.004 4.634 4.640 -0.017 0.000 0.256 128 D C 0.837 177.136 176.300 -0.002 0.000 1.214 128 D CA 0.054 54.045 54.000 -0.016 0.000 0.877 128 D CB 1.797 42.593 40.800 -0.007 0.000 1.111 128 D HN 0.294 nan 8.370 nan 0.000 0.478 129 V N 4.035 123.958 119.914 0.014 0.000 2.453 129 V HA -0.278 3.832 4.120 -0.017 0.000 0.252 129 V C 2.082 178.220 176.094 0.072 0.000 1.068 129 V CA 2.934 65.271 62.300 0.062 0.000 1.070 129 V CB -0.517 31.364 31.823 0.098 0.000 0.664 129 V HN 0.743 nan 8.190 nan 0.000 0.461 130 S N -1.178 114.550 115.700 0.047 0.000 2.474 130 S HA -0.117 4.342 4.470 -0.017 0.000 0.235 130 S C 1.677 176.298 174.600 0.035 0.000 0.997 130 S CA 1.212 59.438 58.200 0.043 0.000 0.949 130 S CB -0.352 62.868 63.200 0.033 0.000 0.766 130 S HN 0.753 nan 8.310 nan 0.000 0.517 131 K N 0.605 121.021 120.400 0.025 0.000 2.358 131 K HA 0.310 4.620 4.320 -0.017 0.000 0.200 131 K C -0.808 175.800 176.600 0.012 0.000 1.030 131 K CA -0.078 56.214 56.287 0.009 0.000 1.097 131 K CB 1.144 33.640 32.500 -0.007 0.000 0.862 131 K HN 0.199 nan 8.250 nan 0.000 0.534 132 V N 3.507 123.449 119.914 0.046 0.000 2.334 132 V HA 0.204 4.314 4.120 -0.017 0.000 0.267 132 V C 0.204 176.367 176.094 0.115 0.000 1.040 132 V CA -0.747 61.599 62.300 0.075 0.000 0.866 132 V CB 0.609 32.493 31.823 0.101 0.000 1.019 132 V HN 0.163 nan 8.190 nan 0.000 0.468 133 R N 3.257 123.806 120.500 0.081 0.000 2.490 133 R HA 0.591 4.921 4.340 -0.017 0.000 0.278 133 R C -0.708 175.687 176.300 0.159 0.000 1.069 133 R CA -0.434 55.706 56.100 0.067 0.000 1.080 133 R CB 1.697 31.970 30.300 -0.046 0.000 1.030 133 R HN 0.438 nan 8.270 nan 0.000 0.491 134 V N 1.661 121.665 119.914 0.149 0.000 2.483 134 V HA 0.370 4.480 4.120 -0.017 0.000 0.297 134 V C -0.079 176.139 176.094 0.207 0.000 1.027 134 V CA -1.158 61.271 62.300 0.215 0.000 0.855 134 V CB 1.741 33.641 31.823 0.127 0.000 0.995 134 V HN 0.851 nan 8.190 nan 0.000 0.424 135 A N 7.779 130.803 122.820 0.340 0.000 2.350 135 A HA 0.630 4.940 4.320 -0.017 0.000 0.293 135 A C -2.272 175.513 177.584 0.335 0.000 1.231 135 A CA -1.244 51.002 52.037 0.349 0.000 0.883 135 A CB 0.036 19.402 19.000 0.609 0.000 1.133 135 A HN 0.566 nan 8.150 nan 0.000 0.533 136 P HA 0.384 nan 4.420 nan 0.000 0.288 136 P C -0.826 176.706 177.300 0.386 0.000 1.363 136 P CA 0.122 63.405 63.100 0.306 0.000 0.837 136 P CB 0.604 32.518 31.700 0.356 0.000 0.981 137 L N 2.130 123.592 121.223 0.399 0.000 2.322 137 L HA 0.472 4.802 4.340 -0.017 0.000 0.269 137 L C 1.079 178.214 176.870 0.442 0.000 1.012 137 L CA -1.060 54.074 54.840 0.489 0.000 0.815 137 L CB 1.537 43.982 42.059 0.643 0.000 1.295 137 L HN 0.285 nan 8.230 nan 0.000 0.438 138 S N 0.287 116.271 115.700 0.474 0.000 2.558 138 S HA 0.187 4.647 4.470 -0.017 0.000 0.288 138 S C 0.789 175.583 174.600 0.322 0.000 1.318 138 S CA -0.058 58.312 58.200 0.284 0.000 1.056 138 S CB 1.369 64.658 63.200 0.149 0.000 0.853 138 S HN 0.741 nan 8.310 nan 0.000 0.505 139 A N 3.301 126.216 122.820 0.159 0.000 1.984 139 A HA 0.561 4.870 4.320 -0.017 0.000 0.214 139 A C 1.566 179.319 177.584 0.282 0.000 1.173 139 A CA 0.656 52.746 52.037 0.087 0.000 0.673 139 A CB -1.490 17.465 19.000 -0.076 0.000 0.830 139 A HN 2.321 nan 8.150 nan 0.000 0.453 140 G N -1.703 107.231 108.800 0.223 0.000 2.645 140 G HA2 -0.065 3.884 3.960 -0.017 0.000 0.239 140 G HA3 -0.065 3.884 3.960 -0.017 0.000 0.239 140 G C -0.382 174.478 174.900 -0.066 0.000 1.331 140 G CA -0.207 44.981 45.100 0.147 0.000 0.890 140 G HN 1.118 nan 8.290 nan 0.000 0.572 141 V N 1.003 120.645 119.914 -0.453 0.000 2.409 141 V HA 0.730 4.840 4.120 -0.017 0.000 0.290 141 V C -0.178 175.369 176.094 -0.911 0.000 1.017 141 V CA -0.341 61.686 62.300 -0.455 0.000 0.841 141 V CB 0.966 32.590 31.823 -0.331 0.000 1.003 141 V HN 0.688 nan 8.190 nan 0.000 0.426 142 F N 1.729 121.669 119.950 -0.016 0.000 3.208 142 F HA 0.431 4.948 4.527 -0.017 0.000 0.286 142 F C 1.629 177.295 175.800 -0.224 0.000 1.532 142 F CA -0.598 57.340 58.000 -0.103 0.000 1.004 142 F CB 0.334 39.282 39.000 -0.086 0.000 1.777 142 F HN 0.446 nan 8.300 nan 0.000 0.384 143 E N 0.556 120.599 120.200 -0.262 0.000 2.489 143 E HA -0.049 4.291 4.350 -0.017 0.000 0.193 143 E C -0.894 175.528 176.600 -0.298 0.000 1.057 143 E CA 0.328 56.547 56.400 -0.300 0.000 0.866 143 E CB -0.629 28.911 29.700 -0.267 0.000 0.916 143 E HN 0.521 nan 8.360 nan 0.000 0.500 144 Y N 1.332 121.685 120.300 0.089 0.000 2.594 144 Y HA 0.393 4.933 4.550 -0.017 0.000 0.344 144 Y C 1.618 177.536 175.900 0.031 0.000 1.185 144 Y CA -0.129 58.010 58.100 0.065 0.000 1.565 144 Y CB 0.440 38.936 38.460 0.061 0.000 1.415 144 Y HN 0.075 nan 8.280 nan 0.000 0.488 145 A N 2.407 125.300 122.820 0.123 0.000 1.986 145 A HA -0.231 4.079 4.320 -0.017 0.000 0.220 145 A C 2.216 179.841 177.584 0.068 0.000 1.171 145 A CA 1.825 53.903 52.037 0.068 0.000 0.640 145 A CB -0.302 18.724 19.000 0.044 0.000 0.811 145 A HN 0.747 nan 8.150 nan 0.000 0.451 146 E N 0.636 120.892 120.200 0.093 0.000 2.338 146 E HA -0.206 4.134 4.350 -0.017 0.000 0.197 146 E C 1.179 177.810 176.600 0.051 0.000 1.007 146 E CA 1.409 57.847 56.400 0.064 0.000 0.849 146 E CB -0.435 29.305 29.700 0.067 0.000 0.774 146 E HN 0.777 nan 8.360 nan 0.000 0.506 147 E N 0.723 120.965 120.200 0.069 0.000 2.371 147 E HA 0.027 4.367 4.350 -0.017 0.000 0.194 147 E C 0.201 176.809 176.600 0.013 0.000 1.012 147 E CA -0.137 56.286 56.400 0.037 0.000 0.860 147 E CB 0.052 29.784 29.700 0.052 0.000 0.811 147 E HN 0.191 nan 8.360 nan 0.000 0.502 148 R N 0.511 121.019 120.500 0.013 0.000 2.446 148 R HA 0.133 4.463 4.340 -0.017 0.000 0.325 148 R C 0.789 177.081 176.300 -0.015 0.000 0.997 148 R CA 0.679 56.775 56.100 -0.006 0.000 1.010 148 R CB 0.194 30.490 30.300 -0.007 0.000 0.946 148 R HN 0.263 nan 8.270 nan 0.000 0.422 149 G N 2.587 111.372 108.800 -0.026 0.000 2.176 149 G HA2 -0.275 3.675 3.960 -0.017 0.000 0.232 149 G HA3 -0.275 3.675 3.960 -0.017 0.000 0.232 149 G C 0.135 175.016 174.900 -0.031 0.000 0.986 149 G CA -0.408 44.671 45.100 -0.035 0.000 0.643 149 G HN 0.515 nan 8.290 nan 0.000 0.522 150 R N -0.208 120.278 120.500 -0.024 0.000 2.668 150 R HA 0.690 5.020 4.340 -0.017 0.000 0.279 150 R C 0.027 176.308 176.300 -0.032 0.000 0.976 150 R CA -0.900 55.187 56.100 -0.021 0.000 0.978 150 R CB 1.056 31.348 30.300 -0.013 0.000 1.133 150 R HN 0.127 nan 8.270 nan 0.000 0.484 151 R N 2.157 122.638 120.500 -0.031 0.000 2.230 151 R HA 0.329 4.658 4.340 -0.017 0.000 0.337 151 R C -0.353 175.916 176.300 -0.052 0.000 1.063 151 R CA -0.300 55.768 56.100 -0.053 0.000 0.935 151 R CB 0.466 30.724 30.300 -0.071 0.000 1.121 151 R HN 0.283 nan 8.270 nan 0.000 0.486 152 I N 4.288 124.824 120.570 -0.056 0.000 2.525 152 I HA 0.448 4.608 4.170 -0.017 0.000 0.301 152 I C 0.076 176.159 176.117 -0.058 0.000 0.992 152 I CA -0.835 60.427 61.300 -0.063 0.000 1.162 152 I CB 1.655 39.600 38.000 -0.091 0.000 1.332 152 I HN 0.483 nan 8.210 nan 0.000 0.458 153 L N 4.868 126.062 121.223 -0.049 0.000 2.401 153 L HA 0.525 4.855 4.340 -0.017 0.000 0.266 153 L C -0.318 176.521 176.870 -0.051 0.000 0.991 153 L CA -0.791 54.047 54.840 -0.003 0.000 0.818 153 L CB 2.637 44.732 42.059 0.060 0.000 1.321 153 L HN 0.511 nan 8.230 nan 0.000 0.413 154 R N 0.960 121.404 120.500 -0.095 0.000 2.460 154 R HA 0.649 4.979 4.340 -0.017 0.000 0.303 154 R C -0.178 176.150 176.300 0.047 0.000 0.968 154 R CA -0.702 55.288 56.100 -0.183 0.000 0.889 154 R CB 1.965 31.735 30.300 -0.883 0.000 1.123 154 R HN 0.742 nan 8.270 nan 0.000 0.455 155 G N 2.785 111.638 108.800 0.088 0.000 2.415 155 G HA2 0.577 4.527 3.960 -0.017 0.000 0.327 155 G HA3 0.577 4.527 3.960 -0.017 0.000 0.327 155 G C -0.822 174.272 174.900 0.324 0.000 1.182 155 G CA -0.610 44.594 45.100 0.173 0.000 0.924 155 G HN 0.302 nan 8.290 nan 0.000 0.470 156 L N 1.573 123.064 121.223 0.448 0.000 2.341 156 L HA 0.674 5.004 4.340 -0.017 0.000 0.278 156 L C 0.505 177.575 176.870 0.333 0.000 1.005 156 L CA -0.991 54.116 54.840 0.446 0.000 0.818 156 L CB 2.151 44.581 42.059 0.618 0.000 1.259 156 L HN 0.631 nan 8.230 nan 0.000 0.418 157 A N 3.219 126.113 122.820 0.123 0.000 2.310 157 A HA 0.820 5.130 4.320 -0.017 0.000 0.299 157 A C -1.153 176.119 177.584 -0.521 0.000 1.147 157 A CA -0.120 51.930 52.037 0.022 0.000 0.818 157 A CB 0.376 19.439 19.000 0.106 0.000 1.096 157 A HN 0.512 nan 8.150 nan 0.000 0.495 158 F N 1.012 120.946 119.950 -0.026 0.000 2.574 158 F HA 0.403 4.920 4.527 -0.017 0.000 0.313 158 F C -0.115 175.634 175.800 -0.085 0.000 1.130 158 F CA -0.672 57.263 58.000 -0.109 0.000 0.936 158 F CB 2.230 41.040 39.000 -0.316 0.000 1.219 158 F HN 0.309 nan 8.300 nan 0.000 0.445 159 V N 3.053 123.021 119.914 0.091 0.000 2.530 159 V HA 0.235 4.345 4.120 -0.017 0.000 0.282 159 V C -0.203 175.915 176.094 0.039 0.000 1.048 159 V CA -0.412 61.903 62.300 0.026 0.000 0.997 159 V CB 1.318 33.108 31.823 -0.055 0.000 0.987 159 V HN 0.755 nan 8.190 nan 0.000 0.477 160 Q N 2.941 122.719 119.800 -0.037 0.000 2.425 160 Q HA 0.221 4.551 4.340 -0.017 0.000 0.254 160 Q C 0.081 176.002 176.000 -0.132 0.000 1.032 160 Q CA -0.644 55.099 55.803 -0.100 0.000 0.798 160 Q CB 1.150 29.813 28.738 -0.124 0.000 1.210 160 Q HN 0.771 nan 8.270 nan 0.000 0.491 161 D N 3.310 123.592 120.400 -0.197 0.000 2.178 161 D HA -0.054 4.576 4.640 -0.017 0.000 0.201 161 D C 0.135 176.498 176.300 0.104 0.000 0.980 161 D CA 1.359 55.315 54.000 -0.074 0.000 0.842 161 D CB 0.097 40.909 40.800 0.019 0.000 0.948 161 D HN 0.431 nan 8.370 nan 0.000 0.472 162 F N -4.515 115.428 119.950 -0.011 0.000 2.711 162 F HA 0.396 4.913 4.527 -0.017 0.000 0.313 162 F C -2.378 173.412 175.800 -0.017 0.000 1.141 162 F CA -2.207 55.783 58.000 -0.016 0.000 0.941 162 F CB 0.486 39.473 39.000 -0.023 0.000 1.349 162 F HN -0.423 nan 8.300 nan 0.000 0.464 163 P HA -0.186 nan 4.420 nan 0.000 0.217 163 P C 0.406 177.716 177.300 0.017 0.000 1.158 163 P CA 2.349 65.492 63.100 0.073 0.000 0.887 163 P CB 0.132 31.892 31.700 0.100 0.000 0.792 164 E N -1.291 118.973 120.200 0.107 0.000 2.419 164 E HA 0.043 4.383 4.350 -0.017 0.000 0.190 164 E C -0.018 176.470 176.600 -0.187 0.000 1.040 164 E CA -0.219 56.195 56.400 0.023 0.000 0.900 164 E CB -0.238 29.535 29.700 0.122 0.000 1.054 164 E HN 0.305 nan 8.360 nan 0.000 0.462 165 D N 0.726 120.782 120.400 -0.574 0.000 2.304 165 D HA 0.005 4.635 4.640 -0.017 0.000 0.247 165 D C -0.545 175.536 176.300 -0.366 0.000 1.089 165 D CA -0.014 53.502 54.000 -0.806 0.000 0.910 165 D CB 1.188 41.219 40.800 -1.281 0.000 1.199 165 D HN -0.165 nan 8.370 nan 0.000 0.426 166 S N 2.373 117.920 115.700 -0.254 0.000 2.400 166 S HA 0.425 4.885 4.470 -0.017 0.000 0.295 166 S C 1.059 175.591 174.600 -0.113 0.000 1.113 166 S CA -0.233 57.894 58.200 -0.121 0.000 1.064 166 S CB 0.340 63.508 63.200 -0.054 0.000 0.990 166 S HN 0.506 nan 8.310 nan 0.000 0.502 167 A N 5.045 127.701 122.820 -0.273 0.000 2.019 167 A HA -0.038 4.272 4.320 -0.017 0.000 0.219 167 A C 1.451 178.933 177.584 -0.171 0.000 1.164 167 A CA 1.017 52.911 52.037 -0.239 0.000 0.644 167 A CB -0.794 17.968 19.000 -0.397 0.000 0.805 167 A HN 0.999 nan 8.150 nan 0.000 0.449 168 W N -0.115 121.168 121.300 -0.028 0.000 2.387 168 W HA -0.049 4.601 4.660 -0.017 0.000 0.272 168 W C 2.408 179.064 176.519 0.228 0.000 1.224 168 W CA 0.820 58.145 57.345 -0.033 0.000 1.210 168 W CB -0.203 29.223 29.460 -0.056 0.000 1.125 168 W HN 0.373 nan 8.180 nan 0.000 0.572 169 A N -0.631 122.385 122.820 0.326 0.000 2.119 169 A HA -0.074 4.235 4.320 -0.017 0.000 0.217 169 A C 0.629 178.086 177.584 -0.212 0.000 1.153 169 A CA 0.842 52.961 52.037 0.136 0.000 0.692 169 A CB -0.618 18.349 19.000 -0.056 0.000 0.799 169 A HN 0.354 nan 8.150 nan 0.000 0.458 170 H N -0.161 119.040 119.070 0.218 0.000 2.386 170 H HA 0.247 4.793 4.556 -0.017 0.000 0.232 170 H C -2.902 172.449 175.328 0.039 0.000 1.416 170 H CA -2.211 53.900 56.048 0.105 0.000 1.285 170 H CB -0.243 29.555 29.762 0.061 0.000 1.625 170 H HN 0.361 nan 8.280 nan 0.000 0.521 171 P HA 0.011 nan 4.420 nan 0.000 0.271 171 P C 0.301 177.432 177.300 -0.281 0.000 1.218 171 P CA -0.277 62.620 63.100 -0.337 0.000 0.780 171 P CB 1.970 33.529 31.700 -0.233 0.000 0.901 172 V N 3.335 123.007 119.914 -0.404 0.000 2.259 172 V HA 0.148 4.258 4.120 -0.017 0.000 0.267 172 V C 0.632 176.588 176.094 -0.230 0.000 1.051 172 V CA -0.329 61.826 62.300 -0.242 0.000 0.830 172 V CB 0.236 31.921 31.823 -0.231 0.000 1.080 172 V HN 0.526 nan 8.190 nan 0.000 0.467 173 D N 2.938 123.206 120.400 -0.221 0.000 2.358 173 D HA 0.412 5.041 4.640 -0.017 0.000 0.244 173 D C 1.295 177.535 176.300 -0.099 0.000 1.163 173 D CA 1.464 55.271 54.000 -0.323 0.000 0.945 173 D CB 1.728 42.054 40.800 -0.790 0.000 1.152 173 D HN 0.741 nan 8.370 nan 0.000 0.451 174 G N 0.411 109.165 108.800 -0.078 0.000 2.159 174 G HA2 -0.213 3.736 3.960 -0.017 0.000 0.256 174 G HA3 -0.213 3.736 3.960 -0.017 0.000 0.256 174 G C -0.137 174.810 174.900 0.077 0.000 0.977 174 G CA 0.547 45.748 45.100 0.167 0.000 0.652 174 G HN 0.494 nan 8.290 nan 0.000 0.531 175 L N -0.063 121.177 121.223 0.028 0.000 2.431 175 L HA 0.930 5.259 4.340 -0.017 0.000 0.266 175 L C -0.748 176.210 176.870 0.146 0.000 0.978 175 L CA -1.092 53.766 54.840 0.031 0.000 0.822 175 L CB 2.403 44.395 42.059 -0.112 0.000 1.310 175 L HN 0.633 nan 8.230 nan 0.000 0.409 176 V N 3.806 123.837 119.914 0.194 0.000 2.969 176 V HA 0.964 5.073 4.120 -0.017 0.000 0.304 176 V C -1.385 174.765 176.094 0.092 0.000 1.192 176 V CA 0.297 62.745 62.300 0.248 0.000 0.962 176 V CB 2.097 34.103 31.823 0.305 0.000 1.045 176 V HN 1.205 nan 8.190 nan 0.000 0.428 177 A N 4.914 127.769 122.820 0.059 0.000 2.435 177 A HA 0.960 5.270 4.320 -0.017 0.000 0.304 177 A C -2.025 175.509 177.584 -0.084 0.000 1.064 177 A CA -0.456 51.487 52.037 -0.156 0.000 0.727 177 A CB 1.677 20.550 19.000 -0.211 0.000 1.284 177 A HN 0.832 nan 8.150 nan 0.000 0.415 178 Y N 0.358 120.531 120.300 -0.211 0.000 2.377 178 Y HA 0.615 5.154 4.550 -0.017 0.000 0.339 178 Y C -0.111 175.676 175.900 -0.187 0.000 1.011 178 Y CA -1.665 56.285 58.100 -0.249 0.000 1.093 178 Y CB 1.761 40.029 38.460 -0.320 0.000 1.201 178 Y HN 0.363 nan 8.280 nan 0.000 0.455 179 V N 2.999 122.912 119.914 -0.001 0.000 2.588 179 V HA 0.233 4.342 4.120 -0.017 0.000 0.304 179 V C -0.634 175.440 176.094 -0.033 0.000 1.042 179 V CA -1.097 61.179 62.300 -0.041 0.000 0.877 179 V CB 2.197 33.979 31.823 -0.069 0.000 0.996 179 V HN 0.670 nan 8.190 nan 0.000 0.425 180 D N 3.265 123.648 120.400 -0.029 0.000 2.365 180 D HA 0.142 4.772 4.640 -0.017 0.000 0.237 180 D C 0.989 177.275 176.300 -0.023 0.000 1.190 180 D CA -0.154 53.832 54.000 -0.024 0.000 0.867 180 D CB 1.941 42.732 40.800 -0.015 0.000 1.050 180 D HN 0.465 nan 8.370 nan 0.000 0.491 181 V N 2.258 122.155 119.914 -0.028 0.000 3.380 181 V HA -0.043 4.067 4.120 -0.017 0.000 0.268 181 V C 1.516 177.610 176.094 -0.001 0.000 1.168 181 V CA 0.421 62.706 62.300 -0.025 0.000 1.156 181 V CB -0.158 31.634 31.823 -0.051 0.000 0.785 181 V HN 0.374 nan 8.190 nan 0.000 0.487 182 V N 1.383 121.305 119.914 0.013 0.000 2.521 182 V HA -0.036 4.074 4.120 -0.017 0.000 0.239 182 V C 2.763 178.870 176.094 0.023 0.000 1.053 182 V CA 1.760 64.087 62.300 0.044 0.000 1.073 182 V CB -0.015 31.851 31.823 0.071 0.000 0.746 182 V HN 0.701 nan 8.190 nan 0.000 0.476 183 S N -0.609 115.097 115.700 0.009 0.000 2.561 183 S HA -0.037 4.423 4.470 -0.017 0.000 0.225 183 S C 0.826 175.426 174.600 -0.001 0.000 0.977 183 S CA 0.178 58.380 58.200 0.003 0.000 0.926 183 S CB -0.459 62.740 63.200 -0.001 0.000 0.769 183 S HN 0.595 nan 8.310 nan 0.000 0.533 184 K N 1.113 121.511 120.400 -0.003 0.000 3.244 184 K HA -0.149 4.161 4.320 -0.017 0.000 0.270 184 K C -1.060 175.530 176.600 -0.017 0.000 1.016 184 K CA 0.884 57.165 56.287 -0.010 0.000 0.754 184 K CB -1.893 30.605 32.500 -0.003 0.000 1.326 184 K HN 0.708 nan 8.250 nan 0.000 0.465 185 E N 0.021 120.208 120.200 -0.021 0.000 2.266 185 E HA 0.374 4.714 4.350 -0.017 0.000 0.268 185 E C -0.473 176.104 176.600 -0.037 0.000 0.879 185 E CA -1.072 55.313 56.400 -0.024 0.000 0.762 185 E CB 2.378 32.068 29.700 -0.016 0.000 1.199 185 E HN -0.036 nan 8.360 nan 0.000 0.422 186 V N 2.893 122.779 119.914 -0.047 0.000 2.353 186 V HA 0.009 4.119 4.120 -0.017 0.000 0.264 186 V C 1.381 177.446 176.094 -0.049 0.000 1.049 186 V CA 0.229 62.489 62.300 -0.066 0.000 0.896 186 V CB 0.515 32.287 31.823 -0.085 0.000 1.025 186 V HN 0.957 nan 8.190 nan 0.000 0.475 187 T N 2.897 117.427 114.554 -0.040 0.000 2.942 187 T HA 0.132 4.471 4.350 -0.017 0.000 0.265 187 T C 0.791 175.453 174.700 -0.063 0.000 1.062 187 T CA 0.509 62.592 62.100 -0.028 0.000 1.139 187 T CB 0.244 69.113 68.868 0.001 0.000 0.883 187 T HN 0.550 nan 8.240 nan 0.000 0.468 188 R N -0.602 119.815 120.500 -0.137 0.000 2.629 188 R HA 0.659 4.989 4.340 -0.017 0.000 0.266 188 R C -2.188 173.926 176.300 -0.310 0.000 1.051 188 R CA -0.759 55.189 56.100 -0.253 0.000 0.895 188 R CB 2.802 32.834 30.300 -0.445 0.000 1.246 188 R HN 0.042 nan 8.270 nan 0.000 0.459 189 V N 4.010 123.802 119.914 -0.204 0.000 2.447 189 V HA 0.458 4.567 4.120 -0.017 0.000 0.292 189 V C -0.522 175.508 176.094 -0.106 0.000 1.021 189 V CA -0.547 61.697 62.300 -0.093 0.000 0.850 189 V CB 1.776 33.642 31.823 0.072 0.000 1.005 189 V HN 0.574 nan 8.190 nan 0.000 0.426 190 I N 4.110 124.599 120.570 -0.135 0.000 2.354 190 I HA 0.494 4.653 4.170 -0.017 0.000 0.292 190 I C -0.813 175.300 176.117 -0.007 0.000 0.989 190 I CA -0.196 61.055 61.300 -0.082 0.000 1.188 190 I CB 1.784 39.714 38.000 -0.116 0.000 1.342 190 I HN 0.502 nan 8.210 nan 0.000 0.457 191 D N 4.396 124.796 120.400 0.001 0.000 2.505 191 D HA 0.183 4.813 4.640 -0.017 0.000 0.250 191 D C 0.725 177.040 176.300 0.025 0.000 1.164 191 D CA -0.358 53.647 54.000 0.007 0.000 0.870 191 D CB 1.644 42.432 40.800 -0.021 0.000 1.160 191 D HN 0.629 nan 8.370 nan 0.000 0.549 192 T N 0.365 114.955 114.554 0.060 0.000 3.081 192 T HA 0.489 4.829 4.350 -0.017 0.000 0.250 192 T C 0.927 175.661 174.700 0.056 0.000 1.100 192 T CA 0.306 62.449 62.100 0.072 0.000 1.038 192 T CB 0.304 69.242 68.868 0.116 0.000 0.962 192 T HN 0.581 nan 8.240 nan 0.000 0.516 193 G N 0.189 109.019 108.800 0.050 0.000 2.321 193 G HA2 0.320 4.270 3.960 -0.017 0.000 0.339 193 G HA3 0.320 4.270 3.960 -0.017 0.000 0.339 193 G C -1.310 173.597 174.900 0.012 0.000 1.518 193 G CA -0.752 44.335 45.100 -0.022 0.000 0.994 193 G HN 0.266 nan 8.290 nan 0.000 0.668 194 V N 0.751 120.624 119.914 -0.069 0.000 2.686 194 V HA 0.670 4.780 4.120 -0.017 0.000 0.295 194 V C -0.130 175.905 176.094 -0.099 0.000 1.055 194 V CA 0.192 62.475 62.300 -0.028 0.000 1.050 194 V CB 0.877 32.664 31.823 -0.060 0.000 0.984 194 V HN 0.556 nan 8.190 nan 0.000 0.482 195 F N 3.595 123.508 119.950 -0.061 0.000 2.576 195 F HA 0.557 5.074 4.527 -0.017 0.000 0.313 195 F C -2.122 173.650 175.800 -0.047 0.000 1.078 195 F CA -2.328 55.642 58.000 -0.051 0.000 0.921 195 F CB 1.855 40.823 39.000 -0.054 0.000 1.232 195 F HN 0.327 nan 8.300 nan 0.000 0.459 196 P HA 0.121 nan 4.420 nan 0.000 0.268 196 P C -0.891 176.464 177.300 0.091 0.000 1.204 196 P CA -0.127 63.024 63.100 0.086 0.000 0.768 196 P CB 0.552 32.296 31.700 0.074 0.000 0.842 197 V N 6.742 126.688 119.914 0.053 0.000 2.408 197 V HA 0.160 4.270 4.120 -0.017 0.000 0.267 197 V C -1.842 174.305 176.094 0.088 0.000 1.047 197 V CA -1.533 60.796 62.300 0.047 0.000 0.937 197 V CB 0.507 32.338 31.823 0.013 0.000 0.999 197 V HN 0.582 nan 8.190 nan 0.000 0.472 198 P HA 0.004 nan 4.420 nan 0.000 0.261 198 P C 0.422 177.875 177.300 0.256 0.000 1.173 198 P CA 0.404 63.579 63.100 0.125 0.000 0.760 198 P CB 0.745 32.478 31.700 0.055 0.000 0.783 199 A N 3.706 126.643 122.820 0.195 0.000 1.984 199 A HA -0.012 4.297 4.320 -0.017 0.000 0.214 199 A C 0.732 178.497 177.584 0.301 0.000 1.173 199 A CA 0.506 52.676 52.037 0.223 0.000 0.673 199 A CB -0.387 18.685 19.000 0.120 0.000 0.830 199 A HN 0.568 nan 8.150 nan 0.000 0.453 200 E N 0.980 121.303 120.200 0.204 0.000 2.392 200 E HA 0.245 4.585 4.350 -0.017 0.000 0.264 200 E C -0.317 176.414 176.600 0.219 0.000 1.024 200 E CA -0.107 56.386 56.400 0.155 0.000 0.903 200 E CB 0.324 30.072 29.700 0.080 0.000 0.963 200 E HN 0.765 nan 8.360 nan 0.000 0.432 201 H N -0.438 118.777 119.070 0.242 0.000 2.546 201 H HA 0.445 4.990 4.556 -0.017 0.000 0.365 201 H C 0.509 175.919 175.328 0.136 0.000 1.220 201 H CA -0.857 55.293 56.048 0.170 0.000 1.386 201 H CB 0.927 30.817 29.762 0.213 0.000 1.510 201 H HN 0.514 nan 8.280 nan 0.000 0.591 202 G N 0.865 109.848 108.800 0.305 0.000 4.637 202 G HA2 0.087 4.036 3.960 -0.017 0.000 0.294 202 G HA3 0.087 4.036 3.960 -0.017 0.000 0.294 202 G C -0.793 174.096 174.900 -0.019 0.000 1.215 202 G CA -0.732 44.409 45.100 0.069 0.000 0.943 202 G HN 0.740 nan 8.290 nan 0.000 0.572 203 N N 1.359 120.174 118.700 0.192 0.000 2.508 203 N HA 0.179 4.909 4.740 -0.017 0.000 0.253 203 N C 0.873 176.287 175.510 -0.161 0.000 1.145 203 N CA -0.634 52.286 53.050 -0.216 0.000 0.973 203 N CB 0.302 38.602 38.487 -0.313 0.000 1.305 203 N HN 0.540 nan 8.380 nan 0.000 0.506 204 Y N -0.117 120.162 120.300 -0.034 0.000 2.651 204 Y HA -0.087 4.452 4.550 -0.017 0.000 0.296 204 Y C 1.731 177.618 175.900 -0.022 0.000 1.150 204 Y CA 0.360 58.430 58.100 -0.050 0.000 1.348 204 Y CB -0.846 37.548 38.460 -0.109 0.000 0.983 204 Y HN 0.323 nan 8.280 nan 0.000 0.555 205 T N -4.043 110.486 114.554 -0.043 0.000 3.054 205 T HA 0.075 4.414 4.350 -0.017 0.000 0.255 205 T C 0.035 174.731 174.700 -0.007 0.000 1.035 205 T CA -0.164 61.944 62.100 0.012 0.000 0.941 205 T CB -0.197 68.669 68.868 -0.003 0.000 1.026 205 T HN 0.200 nan 8.240 nan 0.000 0.533 206 D N 3.599 123.988 120.400 -0.020 0.000 2.339 206 D HA 0.190 4.819 4.640 -0.017 0.000 0.256 206 D C -1.111 175.214 176.300 0.042 0.000 1.214 206 D CA -2.500 51.494 54.000 -0.010 0.000 0.877 206 D CB 1.696 42.460 40.800 -0.059 0.000 1.111 206 D HN 0.035 nan 8.370 nan 0.000 0.478 207 P HA -0.193 nan 4.420 nan 0.000 0.220 207 P C 1.039 178.369 177.300 0.050 0.000 1.144 207 P CA 0.785 63.906 63.100 0.034 0.000 0.800 207 P CB 0.325 32.036 31.700 0.019 0.000 0.772 208 E N -0.274 119.967 120.200 0.067 0.000 2.150 208 E HA -0.154 4.186 4.350 -0.017 0.000 0.193 208 E C 1.744 178.410 176.600 0.109 0.000 0.985 208 E CA 0.738 57.192 56.400 0.089 0.000 0.814 208 E CB -0.225 29.547 29.700 0.121 0.000 0.752 208 E HN 0.140 nan 8.360 nan 0.000 0.466 209 L N 0.600 121.908 121.223 0.141 0.000 2.221 209 L HA -0.004 4.326 4.340 -0.017 0.000 0.202 209 L C 2.544 179.462 176.870 0.081 0.000 1.074 209 L CA 2.019 56.936 54.840 0.128 0.000 0.795 209 L CB -0.527 41.662 42.059 0.217 0.000 0.960 209 L HN 0.189 nan 8.230 nan 0.000 0.458 210 T N -2.470 112.129 114.554 0.075 0.000 2.904 210 T HA 0.348 4.688 4.350 -0.017 0.000 0.267 210 T C 1.177 175.901 174.700 0.040 0.000 1.059 210 T CA 0.545 62.677 62.100 0.054 0.000 1.137 210 T CB -0.860 68.039 68.868 0.051 0.000 0.879 210 T HN 0.774 nan 8.240 nan 0.000 0.467 211 G N 2.243 111.068 108.800 0.041 0.000 2.828 211 G HA2 -0.033 3.916 3.960 -0.017 0.000 0.463 211 G HA3 -0.033 3.916 3.960 -0.017 0.000 0.463 211 G C -2.798 172.117 174.900 0.025 0.000 1.394 211 G CA -0.601 44.517 45.100 0.031 0.000 0.862 211 G HN 0.556 nan 8.290 nan 0.000 0.540 212 P HA 0.321 nan 4.420 nan 0.000 0.268 212 P C 0.505 177.814 177.300 0.015 0.000 1.205 212 P CA -0.027 63.083 63.100 0.016 0.000 0.771 212 P CB 0.444 32.152 31.700 0.013 0.000 0.858 213 L N 3.076 124.308 121.223 0.014 0.000 2.417 213 L HA 0.246 4.576 4.340 -0.017 0.000 0.268 213 L C 1.500 178.375 176.870 0.008 0.000 1.158 213 L CA -0.549 54.298 54.840 0.012 0.000 0.819 213 L CB 0.009 42.075 42.059 0.012 0.000 1.112 213 L HN 0.322 nan 8.230 nan 0.000 0.458 214 R N 0.542 121.046 120.500 0.007 0.000 2.640 214 R HA 0.040 4.370 4.340 -0.017 0.000 0.270 214 R C 0.717 177.019 176.300 0.003 0.000 1.024 214 R CA 0.430 56.532 56.100 0.004 0.000 1.085 214 R CB 0.209 30.511 30.300 0.002 0.000 0.963 214 R HN 0.737 nan 8.270 nan 0.000 0.426 215 T N -3.652 110.903 114.554 0.003 0.000 3.084 215 T HA -0.017 4.322 4.350 -0.017 0.000 0.270 215 T C 1.378 176.078 174.700 0.001 0.000 1.008 215 T CA 0.101 62.202 62.100 0.002 0.000 0.900 215 T CB 0.342 69.212 68.868 0.003 0.000 1.084 215 T HN 0.673 nan 8.240 nan 0.000 0.538 216 T N -0.383 114.172 114.554 0.000 0.000 3.088 216 T HA 0.129 4.469 4.350 -0.017 0.000 0.259 216 T C 0.731 175.430 174.700 -0.002 0.000 1.122 216 T CA -0.044 62.056 62.100 -0.001 0.000 1.095 216 T CB -0.372 68.495 68.868 -0.001 0.000 0.930 216 T HN 0.422 nan 8.240 nan 0.000 0.508 217 Q N 2.053 121.851 119.800 -0.002 0.000 2.323 217 Q HA 0.286 4.615 4.340 -0.017 0.000 0.257 217 Q C -0.356 175.643 176.000 -0.002 0.000 1.022 217 Q CA -0.360 55.441 55.803 -0.003 0.000 0.919 217 Q CB 0.816 29.552 28.738 -0.003 0.000 1.220 217 Q HN 0.216 nan 8.270 nan 0.000 0.427 218 K N 3.358 123.757 120.400 -0.002 0.000 2.118 218 K HA 0.392 4.702 4.320 -0.017 0.000 0.264 218 K C -1.967 174.633 176.600 -0.000 0.000 1.000 218 K CA -1.722 54.564 56.287 -0.001 0.000 0.929 218 K CB 0.259 32.758 32.500 -0.002 0.000 1.021 218 K HN 0.497 nan 8.250 nan 0.000 0.463 219 P HA 0.271 nan 4.420 nan 0.000 0.271 219 P C -0.493 176.809 177.300 0.003 0.000 1.218 219 P CA -0.107 62.995 63.100 0.003 0.000 0.780 219 P CB 0.609 32.311 31.700 0.004 0.000 0.901 220 I N 1.305 121.878 120.570 0.005 0.000 2.382 220 I HA 0.135 4.295 4.170 -0.017 0.000 0.285 220 I C 0.424 176.548 176.117 0.011 0.000 1.007 220 I CA -0.508 60.796 61.300 0.007 0.000 1.142 220 I CB 1.598 39.602 38.000 0.006 0.000 1.289 220 I HN 0.292 nan 8.210 nan 0.000 0.453 221 S N 7.825 123.532 115.700 0.012 0.000 2.438 221 S HA 0.612 5.072 4.470 -0.017 0.000 0.293 221 S C -0.525 174.089 174.600 0.022 0.000 1.141 221 S CA -0.463 57.747 58.200 0.016 0.000 1.080 221 S CB 0.329 63.537 63.200 0.014 0.000 0.978 221 S HN 0.450 nan 8.310 nan 0.000 0.479 222 I N 5.360 125.946 120.570 0.027 0.000 2.382 222 I HA 0.360 4.520 4.170 -0.017 0.000 0.285 222 I C 0.226 176.367 176.117 0.039 0.000 1.007 222 I CA -0.419 60.904 61.300 0.039 0.000 1.142 222 I CB 1.762 39.792 38.000 0.051 0.000 1.289 222 I HN 0.696 nan 8.210 nan 0.000 0.453 223 T N 2.032 116.610 114.554 0.040 0.000 2.901 223 T HA 0.524 4.864 4.350 -0.017 0.000 0.293 223 T C -0.756 173.970 174.700 0.044 0.000 1.084 223 T CA -0.871 61.251 62.100 0.037 0.000 1.008 223 T CB 2.339 71.224 68.868 0.027 0.000 1.170 223 T HN 0.501 nan 8.240 nan 0.000 0.509 224 Q N 1.055 120.878 119.800 0.038 0.000 2.616 224 Q HA 0.269 4.598 4.340 -0.017 0.000 0.250 224 Q C -2.201 173.811 176.000 0.021 0.000 0.991 224 Q CA -1.889 53.936 55.803 0.036 0.000 0.707 224 Q CB 1.943 30.707 28.738 0.042 0.000 1.247 224 Q HN 0.511 nan 8.270 nan 0.000 0.491 225 P HA -0.205 nan 4.420 nan 0.000 0.217 225 P C 0.119 177.423 177.300 0.007 0.000 1.148 225 P CA 1.429 64.537 63.100 0.013 0.000 0.828 225 P CB 0.365 32.073 31.700 0.014 0.000 0.783 226 E N -1.172 119.031 120.200 0.006 0.000 2.501 226 E HA 0.377 4.717 4.350 -0.017 0.000 0.200 226 E C 0.737 177.328 176.600 -0.015 0.000 1.016 226 E CA -0.038 56.361 56.400 -0.002 0.000 0.921 226 E CB 0.206 29.907 29.700 0.001 0.000 1.034 226 E HN 0.126 nan 8.360 nan 0.000 0.468 227 G N 2.890 111.679 108.800 -0.019 0.000 2.757 227 G HA2 -0.186 3.764 3.960 -0.017 0.000 0.638 227 G HA3 -0.186 3.764 3.960 -0.017 0.000 0.638 227 G C -2.749 172.109 174.900 -0.071 0.000 1.344 227 G CA -0.927 44.142 45.100 -0.051 0.000 0.855 227 G HN 0.003 nan 8.290 nan 0.000 0.537 228 P HA 0.366 nan 4.420 nan 0.000 0.274 228 P C 0.581 177.776 177.300 -0.175 0.000 1.246 228 P CA 0.068 63.030 63.100 -0.229 0.000 0.795 228 P CB 1.232 32.495 31.700 -0.728 0.000 1.006 229 S N -0.296 115.434 115.700 0.050 0.000 2.558 229 S HA 0.122 4.581 4.470 -0.017 0.000 0.217 229 S C 0.696 175.463 174.600 0.279 0.000 0.975 229 S CA 0.074 58.371 58.200 0.161 0.000 0.912 229 S CB -0.748 62.598 63.200 0.243 0.000 0.776 229 S HN 0.555 nan 8.310 nan 0.000 0.526 230 F N 2.056 122.208 119.950 0.337 0.000 2.403 230 F HA 0.747 5.264 4.527 -0.017 0.000 0.326 230 F C 0.165 176.059 175.800 0.156 0.000 1.081 230 F CA -1.087 57.097 58.000 0.307 0.000 1.041 230 F CB 0.376 39.523 39.000 0.244 0.000 1.234 230 F HN -0.136 nan 8.300 nan 0.000 0.503 231 T N -0.202 114.549 114.554 0.328 0.000 2.863 231 T HA 0.733 5.072 4.350 -0.017 0.000 0.285 231 T C -1.144 173.718 174.700 0.270 0.000 1.009 231 T CA -0.805 61.413 62.100 0.196 0.000 0.989 231 T CB 1.472 70.423 68.868 0.139 0.000 1.004 231 T HN 0.676 nan 8.240 nan 0.000 0.455 232 V N 3.502 123.546 119.914 0.217 0.000 2.409 232 V HA 0.718 4.827 4.120 -0.017 0.000 0.291 232 V C 0.391 176.581 176.094 0.161 0.000 1.020 232 V CA -0.629 61.792 62.300 0.202 0.000 0.848 232 V CB 1.210 33.155 31.823 0.204 0.000 0.990 232 V HN 1.287 nan 8.190 nan 0.000 0.430 233 T N 0.090 114.754 114.554 0.184 0.000 2.906 233 T HA 0.678 5.018 4.350 -0.017 0.000 0.295 233 T C 0.764 175.552 174.700 0.146 0.000 1.075 233 T CA -0.099 62.090 62.100 0.149 0.000 1.005 233 T CB 1.762 70.714 68.868 0.141 0.000 1.136 233 T HN 1.717 nan 8.240 nan 0.000 0.498 234 G N -0.102 108.755 108.800 0.095 0.000 2.258 234 G HA2 0.113 4.063 3.960 -0.017 0.000 0.274 234 G HA3 0.113 4.063 3.960 -0.017 0.000 0.274 234 G C 1.344 176.300 174.900 0.093 0.000 1.021 234 G CA 0.989 46.138 45.100 0.081 0.000 0.798 234 G HN 2.406 nan 8.290 nan 0.000 0.507 235 G N -0.131 108.724 108.800 0.092 0.000 2.507 235 G HA2 -0.298 3.652 3.960 -0.017 0.000 0.240 235 G HA3 -0.298 3.652 3.960 -0.017 0.000 0.240 235 G C 0.917 175.874 174.900 0.095 0.000 1.119 235 G CA 1.328 46.479 45.100 0.085 0.000 0.664 235 G HN 2.231 nan 8.290 nan 0.000 0.516 236 N N -0.516 118.253 118.700 0.114 0.000 2.217 236 N HA 0.103 4.833 4.740 -0.017 0.000 0.239 236 N C -0.321 175.258 175.510 0.115 0.000 1.330 236 N CA 0.124 53.234 53.050 0.101 0.000 0.838 236 N CB -0.370 38.172 38.487 0.092 0.000 1.287 236 N HN 0.588 nan 8.380 nan 0.000 0.498 237 H N 1.024 120.133 119.070 0.065 0.000 2.552 237 H HA 0.414 4.959 4.556 -0.017 0.000 0.311 237 H C -0.956 174.420 175.328 0.080 0.000 1.071 237 H CA -0.337 55.748 56.048 0.061 0.000 1.307 237 H CB 1.051 30.850 29.762 0.063 0.000 1.416 237 H HN -0.040 nan 8.280 nan 0.000 0.464 238 I N 4.954 125.307 120.570 -0.362 0.000 2.412 238 I HA 0.143 4.303 4.170 -0.017 0.000 0.296 238 I C -0.040 175.974 176.117 -0.172 0.000 0.987 238 I CA -0.382 60.827 61.300 -0.152 0.000 1.180 238 I CB 1.646 39.562 38.000 -0.141 0.000 1.340 238 I HN 0.514 nan 8.210 nan 0.000 0.455 239 E N 5.119 125.376 120.200 0.094 0.000 2.218 239 E HA 0.306 4.646 4.350 -0.017 0.000 0.263 239 E C -1.786 175.014 176.600 0.333 0.000 0.879 239 E CA -0.520 55.981 56.400 0.169 0.000 0.762 239 E CB 2.373 32.181 29.700 0.179 0.000 1.166 239 E HN 0.595 nan 8.360 nan 0.000 0.415 240 W N 3.869 125.241 121.300 0.120 0.000 3.216 240 W HA 0.145 4.795 4.660 -0.017 0.000 0.335 240 W C -0.474 176.150 176.519 0.176 0.000 1.077 240 W CA -0.406 57.036 57.345 0.162 0.000 1.252 240 W CB 0.875 30.427 29.460 0.154 0.000 1.312 240 W HN 0.331 nan 8.180 nan 0.000 0.446 241 E N 6.127 126.026 120.200 -0.503 0.000 2.183 241 E HA -0.301 4.038 4.350 -0.017 0.000 0.196 241 E C 0.531 176.842 176.600 -0.481 0.000 1.364 241 E CA 1.723 57.735 56.400 -0.647 0.000 0.700 241 E CB -0.797 28.114 29.700 -1.315 0.000 1.106 241 E HN 0.757 nan 8.360 nan 0.000 0.347 242 K N -4.474 115.670 120.400 -0.427 0.000 3.578 242 K HA -0.236 4.074 4.320 -0.017 0.000 0.270 242 K C 0.324 176.526 176.600 -0.663 0.000 1.003 242 K CA 1.859 57.723 56.287 -0.704 0.000 1.128 242 K CB -1.796 29.856 32.500 -1.414 0.000 1.341 242 K HN 0.336 nan 8.250 nan 0.000 0.499 243 W N 1.660 122.775 121.300 -0.310 0.000 2.237 243 W HA 0.461 5.111 4.660 -0.016 0.000 0.335 243 W C 0.902 177.410 176.519 -0.019 0.000 1.230 243 W CA 0.023 57.329 57.345 -0.064 0.000 1.253 243 W CB 1.096 30.660 29.460 0.173 0.000 1.129 243 W HN 0.036 nan 8.180 nan 0.000 0.590 244 S N 3.433 119.307 115.700 0.291 0.000 2.546 244 S HA 0.812 5.272 4.470 -0.017 0.000 0.272 244 S C -1.136 173.485 174.600 0.035 0.000 1.140 244 S CA -0.747 57.514 58.200 0.101 0.000 0.920 244 S CB 0.176 63.460 63.200 0.141 0.000 1.083 244 S HN 0.576 nan 8.310 nan 0.000 0.476 245 L N 1.031 122.145 121.223 -0.182 0.000 2.999 245 L HA 0.757 5.087 4.340 -0.017 0.000 0.274 245 L C -2.138 174.594 176.870 -0.230 0.000 1.044 245 L CA -1.066 53.680 54.840 -0.157 0.000 0.943 245 L CB 1.610 43.583 42.059 -0.143 0.000 1.522 245 L HN 0.418 nan 8.230 nan 0.000 0.400 246 D N 1.220 121.557 120.400 -0.104 0.000 2.505 246 D HA 0.492 5.122 4.640 -0.017 0.000 0.249 246 D C -0.915 175.391 176.300 0.009 0.000 1.082 246 D CA -0.284 53.716 54.000 0.000 0.000 0.839 246 D CB 3.303 44.155 40.800 0.086 0.000 1.317 246 D HN 0.369 nan 8.370 nan 0.000 0.497 247 V N 2.094 122.014 119.914 0.009 0.000 2.334 247 V HA 0.477 4.587 4.120 -0.017 0.000 0.267 247 V C 0.928 177.076 176.094 0.090 0.000 1.040 247 V CA -0.396 61.899 62.300 -0.008 0.000 0.866 247 V CB 1.052 32.851 31.823 -0.040 0.000 1.019 247 V HN 0.600 nan 8.190 nan 0.000 0.468 248 G N 3.093 111.975 108.800 0.137 0.000 2.521 248 G HA2 0.703 4.652 3.960 -0.017 0.000 0.323 248 G HA3 0.703 4.652 3.960 -0.017 0.000 0.323 248 G C -1.512 173.477 174.900 0.148 0.000 1.211 248 G CA -0.480 44.739 45.100 0.199 0.000 0.979 248 G HN 0.483 nan 8.290 nan 0.000 0.490 249 F N 0.053 119.981 119.950 -0.037 0.000 2.588 249 F HA 0.478 4.995 4.527 -0.017 0.000 0.318 249 F C -1.341 174.405 175.800 -0.090 0.000 1.155 249 F CA -0.916 57.013 58.000 -0.119 0.000 0.967 249 F CB 2.456 41.368 39.000 -0.146 0.000 1.236 249 F HN 0.530 nan 8.300 nan 0.000 0.455 250 D N 3.863 123.920 120.400 -0.573 0.000 2.481 250 D HA 0.316 4.945 4.640 -0.017 0.000 0.244 250 D C 0.288 176.275 176.300 -0.521 0.000 1.057 250 D CA -0.578 53.223 54.000 -0.332 0.000 0.848 250 D CB 2.410 43.115 40.800 -0.158 0.000 1.388 250 D HN 0.372 nan 8.370 nan 0.000 0.475 251 V N 4.205 123.993 119.914 -0.210 0.000 2.490 251 V HA -0.141 3.968 4.120 -0.017 0.000 0.250 251 V C 2.114 178.143 176.094 -0.108 0.000 1.061 251 V CA 2.134 64.348 62.300 -0.142 0.000 1.064 251 V CB -0.401 31.383 31.823 -0.066 0.000 0.670 251 V HN 0.639 nan 8.190 nan 0.000 0.461 252 R N -0.457 120.037 120.500 -0.009 0.000 2.057 252 R HA -0.062 4.268 4.340 -0.017 0.000 0.224 252 R C 2.221 178.454 176.300 -0.111 0.000 1.136 252 R CA 1.736 57.812 56.100 -0.040 0.000 0.968 252 R CB -0.210 30.018 30.300 -0.120 0.000 0.863 252 R HN 0.585 nan 8.270 nan 0.000 0.433 253 E N -0.558 119.553 120.200 -0.149 0.000 2.299 253 E HA 0.114 4.454 4.350 -0.017 0.000 0.193 253 E C 0.765 177.170 176.600 -0.326 0.000 0.998 253 E CA 0.377 56.684 56.400 -0.156 0.000 0.851 253 E CB 0.458 30.114 29.700 -0.074 0.000 0.795 253 E HN 0.572 nan 8.360 nan 0.000 0.492 254 G N 0.794 109.180 108.800 -0.689 0.000 2.498 254 G HA2 -0.300 3.650 3.960 -0.017 0.000 0.245 254 G HA3 -0.300 3.650 3.960 -0.017 0.000 0.245 254 G C -0.092 174.163 174.900 -1.074 0.000 1.204 254 G CA -0.335 44.013 45.100 -1.255 0.000 0.933 254 G HN 0.107 nan 8.290 nan 0.000 0.574 255 V N 0.737 120.248 119.914 -0.671 0.000 2.529 255 V HA 0.416 4.525 4.120 -0.017 0.000 0.292 255 V C 0.772 176.788 176.094 -0.131 0.000 1.028 255 V CA 0.237 62.452 62.300 -0.142 0.000 1.074 255 V CB 0.940 32.878 31.823 0.190 0.000 0.958 255 V HN 0.894 nan 8.190 nan 0.000 0.481 256 V N 6.748 126.527 119.914 -0.225 0.000 2.588 256 V HA 0.480 4.590 4.120 -0.017 0.000 0.304 256 V C -0.241 175.532 176.094 -0.535 0.000 1.042 256 V CA -0.648 61.421 62.300 -0.385 0.000 0.877 256 V CB 1.944 33.552 31.823 -0.358 0.000 0.996 256 V HN 0.611 nan 8.190 nan 0.000 0.425 257 L N 4.950 125.735 121.223 -0.729 0.000 2.295 257 L HA 0.637 4.967 4.340 -0.017 0.000 0.285 257 L C -0.443 176.048 176.870 -0.632 0.000 1.035 257 L CA -0.561 53.892 54.840 -0.644 0.000 0.806 257 L CB 1.072 42.673 42.059 -0.764 0.000 1.214 257 L HN 0.615 nan 8.230 nan 0.000 0.426 258 H N 3.550 122.455 119.070 -0.274 0.000 2.569 258 H HA 0.286 4.832 4.556 -0.017 0.000 0.357 258 H C -0.203 174.926 175.328 -0.333 0.000 1.153 258 H CA -0.727 55.140 56.048 -0.302 0.000 1.193 258 H CB 1.920 31.466 29.762 -0.360 0.000 1.602 258 H HN 0.566 nan 8.280 nan 0.000 0.523 259 N N 1.301 119.874 118.700 -0.211 0.000 2.725 259 N HA -0.196 4.534 4.740 -0.017 0.000 0.251 259 N C -0.340 175.114 175.510 -0.094 0.000 1.031 259 N CA 0.489 53.422 53.050 -0.195 0.000 0.720 259 N CB -1.315 36.999 38.487 -0.289 0.000 0.930 259 N HN 0.550 nan 8.380 nan 0.000 0.543 260 I N 0.562 121.083 120.570 -0.082 0.000 2.505 260 I HA 0.255 4.415 4.170 -0.017 0.000 0.287 260 I C 0.985 177.167 176.117 0.108 0.000 1.104 260 I CA 0.212 61.526 61.300 0.023 0.000 1.387 260 I CB 0.524 38.512 38.000 -0.020 0.000 1.404 260 I HN 0.325 nan 8.210 nan 0.000 0.528 261 A N 6.896 129.849 122.820 0.222 0.000 2.566 261 A HA 0.783 5.092 4.320 -0.017 0.000 0.292 261 A C -1.610 176.135 177.584 0.269 0.000 1.112 261 A CA -0.447 51.709 52.037 0.198 0.000 0.707 261 A CB 1.557 20.624 19.000 0.110 0.000 1.302 261 A HN 0.511 nan 8.150 nan 0.000 0.409 262 F N 0.746 120.702 119.950 0.011 0.000 2.518 262 F HA 0.558 5.074 4.527 -0.017 0.000 0.323 262 F C 0.312 176.129 175.800 0.029 0.000 1.129 262 F CA -0.472 57.463 58.000 -0.109 0.000 0.920 262 F CB 1.834 40.702 39.000 -0.219 0.000 1.160 262 F HN 0.590 nan 8.300 nan 0.000 0.440 263 R N 3.662 124.098 120.500 -0.106 0.000 2.272 263 R HA 0.119 4.449 4.340 -0.017 0.000 0.334 263 R C -1.073 175.328 176.300 0.169 0.000 1.117 263 R CA -0.268 55.840 56.100 0.014 0.000 0.966 263 R CB 0.027 30.273 30.300 -0.090 0.000 1.049 263 R HN 0.449 nan 8.270 nan 0.000 0.477 264 D N 2.895 123.476 120.400 0.303 0.000 2.479 264 D HA 0.218 4.848 4.640 -0.017 0.000 0.218 264 D C 1.135 177.531 176.300 0.160 0.000 1.131 264 D CA 0.597 54.801 54.000 0.340 0.000 0.916 264 D CB 0.679 41.706 40.800 0.377 0.000 1.022 264 D HN 0.670 nan 8.370 nan 0.000 0.515 265 G N 4.861 113.729 108.800 0.114 0.000 2.601 265 G HA2 -0.371 3.578 3.960 -0.017 0.000 0.306 265 G HA3 -0.371 3.578 3.960 -0.017 0.000 0.306 265 G C 0.835 175.760 174.900 0.041 0.000 1.172 265 G CA 0.576 45.712 45.100 0.061 0.000 0.966 265 G HN 0.591 nan 8.290 nan 0.000 0.542 266 D N 1.745 122.166 120.400 0.034 0.000 2.348 266 D HA 0.032 4.662 4.640 -0.017 0.000 0.211 266 D C 1.213 177.528 176.300 0.025 0.000 0.998 266 D CA 0.923 54.937 54.000 0.023 0.000 0.873 266 D CB 0.045 40.854 40.800 0.015 0.000 0.925 266 D HN 0.899 nan 8.370 nan 0.000 0.524 267 R N 0.314 120.836 120.500 0.036 0.000 2.637 267 R HA 0.532 4.861 4.340 -0.017 0.000 0.291 267 R C -0.980 175.356 176.300 0.060 0.000 0.963 267 R CA -1.065 55.055 56.100 0.034 0.000 0.901 267 R CB 1.680 31.989 30.300 0.015 0.000 1.160 267 R HN -0.082 nan 8.270 nan 0.000 0.457 268 L N 3.122 124.376 121.223 0.050 0.000 2.283 268 L HA 0.324 4.653 4.340 -0.017 0.000 0.287 268 L C -0.531 176.383 176.870 0.075 0.000 1.073 268 L CA -0.126 54.755 54.840 0.068 0.000 0.822 268 L CB 0.442 42.532 42.059 0.052 0.000 1.186 268 L HN 0.592 nan 8.230 nan 0.000 0.436 269 R N 7.217 127.798 120.500 0.134 0.000 2.229 269 R HA 0.447 4.777 4.340 -0.017 0.000 0.332 269 R C -2.344 174.057 176.300 0.168 0.000 0.989 269 R CA -1.774 54.412 56.100 0.144 0.000 0.842 269 R CB 0.844 31.261 30.300 0.195 0.000 1.119 269 R HN 0.504 nan 8.270 nan 0.000 0.456 270 P HA 0.104 nan 4.420 nan 0.000 0.274 270 P C -0.100 177.201 177.300 0.001 0.000 1.231 270 P CA 0.026 63.124 63.100 -0.004 0.000 0.790 270 P CB 1.286 32.906 31.700 -0.134 0.000 0.951 271 I N 0.873 121.387 120.570 -0.094 0.000 3.746 271 I HA 0.248 4.408 4.170 -0.017 0.000 0.262 271 I C 0.750 176.735 176.117 -0.219 0.000 1.153 271 I CA 0.236 61.383 61.300 -0.255 0.000 1.395 271 I CB 0.380 38.111 38.000 -0.449 0.000 1.589 271 I HN 0.137 nan 8.210 nan 0.000 0.441 272 I N 1.496 121.970 120.570 -0.160 0.000 2.478 272 I HA 0.162 4.322 4.170 -0.017 0.000 0.287 272 I C 0.643 176.686 176.117 -0.124 0.000 1.042 272 I CA -0.224 60.995 61.300 -0.134 0.000 1.067 272 I CB 2.090 40.013 38.000 -0.129 0.000 1.233 272 I HN 0.125 nan 8.210 nan 0.000 0.431 273 N N 5.525 124.173 118.700 -0.086 0.000 2.171 273 N HA 0.013 4.743 4.740 -0.017 0.000 0.184 273 N C 0.545 176.012 175.510 -0.073 0.000 1.021 273 N CA 1.022 54.046 53.050 -0.043 0.000 0.854 273 N CB 0.533 39.108 38.487 0.146 0.000 0.994 273 N HN 0.539 nan 8.380 nan 0.000 0.426 274 R N -0.174 120.258 120.500 -0.113 0.000 2.535 274 R HA 0.478 4.807 4.340 -0.017 0.000 0.274 274 R C -2.086 174.057 176.300 -0.261 0.000 1.090 274 R CA -0.498 55.477 56.100 -0.208 0.000 0.930 274 R CB 1.883 32.112 30.300 -0.118 0.000 1.223 274 R HN 0.066 nan 8.270 nan 0.000 0.441 275 A N 2.254 124.840 122.820 -0.390 0.000 2.356 275 A HA 0.731 5.040 4.320 -0.017 0.000 0.310 275 A C -1.049 176.287 177.584 -0.413 0.000 1.075 275 A CA -0.454 51.358 52.037 -0.374 0.000 0.746 275 A CB 1.585 20.271 19.000 -0.525 0.000 1.221 275 A HN 0.804 nan 8.150 nan 0.000 0.443 276 S N 1.298 116.932 115.700 -0.110 0.000 2.615 276 S HA 0.696 5.155 4.470 -0.017 0.000 0.269 276 S C -1.144 173.560 174.600 0.174 0.000 1.161 276 S CA -0.725 57.492 58.200 0.027 0.000 0.817 276 S CB 0.945 64.092 63.200 -0.088 0.000 1.131 276 S HN 0.556 nan 8.310 nan 0.000 0.467 277 I N 2.152 122.833 120.570 0.185 0.000 2.287 277 I HA 0.409 4.569 4.170 -0.017 0.000 0.290 277 I C 1.273 177.467 176.117 0.128 0.000 1.069 277 I CA -0.528 60.867 61.300 0.159 0.000 1.237 277 I CB 0.338 38.483 38.000 0.241 0.000 1.418 277 I HN 0.994 nan 8.210 nan 0.000 0.481 278 A N 5.139 128.023 122.820 0.108 0.000 2.169 278 A HA 0.117 4.427 4.320 -0.017 0.000 0.212 278 A C 0.716 178.357 177.584 0.095 0.000 1.153 278 A CA 0.863 52.990 52.037 0.150 0.000 0.756 278 A CB 0.094 19.206 19.000 0.186 0.000 0.813 278 A HN 0.665 nan 8.150 nan 0.000 0.471 279 E N -1.432 118.767 120.200 -0.002 0.000 2.389 279 E HA 0.536 4.876 4.350 -0.017 0.000 0.281 279 E C -1.099 175.486 176.600 -0.026 0.000 1.072 279 E CA -0.356 55.999 56.400 -0.075 0.000 0.845 279 E CB 0.872 30.352 29.700 -0.366 0.000 1.239 279 E HN 0.446 nan 8.360 nan 0.000 0.434 280 M N 2.131 121.738 119.600 0.011 0.000 2.284 280 M HA 0.681 5.151 4.480 -0.017 0.000 0.281 280 M C -1.789 174.420 176.300 -0.152 0.000 1.083 280 M CA -0.994 54.205 55.300 -0.168 0.000 0.965 280 M CB 1.932 34.343 32.600 -0.315 0.000 1.717 280 M HN 0.261 nan 8.290 nan 0.000 0.479 281 V N 3.842 123.599 119.914 -0.262 0.000 2.628 281 V HA 0.805 4.914 4.120 -0.017 0.000 0.306 281 V C -1.229 174.592 176.094 -0.455 0.000 1.045 281 V CA -0.477 61.545 62.300 -0.463 0.000 0.905 281 V CB 2.335 33.751 31.823 -0.678 0.000 0.997 281 V HN 0.806 nan 8.190 nan 0.000 0.436 282 V N 8.515 128.172 119.914 -0.429 0.000 2.276 282 V HA 0.403 4.513 4.120 -0.017 0.000 0.268 282 V C -2.422 173.353 176.094 -0.531 0.000 1.032 282 V CA -1.334 60.662 62.300 -0.507 0.000 0.810 282 V CB 1.272 32.854 31.823 -0.401 0.000 1.060 282 V HN 0.812 nan 8.190 nan 0.000 0.446 283 P HA 0.318 nan 4.420 nan 0.000 0.286 283 P C -1.221 175.832 177.300 -0.411 0.000 1.269 283 P CA -0.301 62.592 63.100 -0.345 0.000 0.787 283 P CB 1.014 32.549 31.700 -0.274 0.000 0.920 284 Y N 0.838 120.963 120.300 -0.292 0.000 2.334 284 Y HA 0.442 4.982 4.550 -0.017 0.000 0.328 284 Y C 1.805 177.628 175.900 -0.128 0.000 1.130 284 Y CA 0.367 58.335 58.100 -0.220 0.000 1.163 284 Y CB 1.264 39.512 38.460 -0.354 0.000 1.207 284 Y HN 0.483 nan 8.280 nan 0.000 0.471 285 G N 1.288 110.110 108.800 0.037 0.000 3.523 285 G HA2 -0.009 3.941 3.960 -0.017 0.000 0.270 285 G HA3 -0.009 3.941 3.960 -0.017 0.000 0.270 285 G C -0.633 174.292 174.900 0.042 0.000 1.134 285 G CA -0.159 44.972 45.100 0.051 0.000 0.825 285 G HN 0.520 nan 8.290 nan 0.000 0.534 286 D N 1.063 121.471 120.400 0.013 0.000 2.274 286 D HA 0.262 4.892 4.640 -0.017 0.000 0.239 286 D C -1.191 175.076 176.300 -0.055 0.000 1.104 286 D CA -2.420 51.553 54.000 -0.044 0.000 0.840 286 D CB 2.280 43.050 40.800 -0.050 0.000 1.100 286 D HN 0.022 nan 8.370 nan 0.000 0.477 287 P HA -0.016 nan 4.420 nan 0.000 0.242 287 P C 0.302 177.586 177.300 -0.027 0.000 1.197 287 P CA -0.063 63.019 63.100 -0.029 0.000 0.765 287 P CB 0.118 31.812 31.700 -0.010 0.000 0.936 288 S N 1.590 117.265 115.700 -0.041 0.000 2.537 288 S HA 0.123 4.583 4.470 -0.017 0.000 0.286 288 S C -1.366 173.233 174.600 -0.001 0.000 1.299 288 S CA -0.971 57.219 58.200 -0.018 0.000 1.067 288 S CB 0.360 63.533 63.200 -0.045 0.000 0.864 288 S HN -0.081 nan 8.310 nan 0.000 0.494 289 P HA -0.078 nan 4.420 nan 0.000 0.221 289 P C 1.147 178.586 177.300 0.233 0.000 1.145 289 P CA 0.606 63.787 63.100 0.135 0.000 0.795 289 P CB 0.039 31.826 31.700 0.145 0.000 0.775 290 I N -0.978 119.687 120.570 0.159 0.000 2.493 290 I HA -0.117 4.042 4.170 -0.017 0.000 0.254 290 I C 1.709 177.942 176.117 0.194 0.000 1.160 290 I CA 1.577 63.013 61.300 0.227 0.000 1.445 290 I CB -0.881 37.171 38.000 0.085 0.000 1.086 290 I HN 0.040 nan 8.210 nan 0.000 0.433 291 R N -0.681 119.727 120.500 -0.153 0.000 2.541 291 R HA 0.102 4.431 4.340 -0.017 0.000 0.332 291 R C 1.818 177.651 176.300 -0.778 0.000 0.951 291 R CA 0.447 56.165 56.100 -0.637 0.000 1.136 291 R CB 0.287 30.355 30.300 -0.387 0.000 1.449 291 R HN 0.256 nan 8.270 nan 0.000 0.531 292 S N 0.677 116.113 115.700 -0.440 0.000 2.537 292 S HA -0.099 4.360 4.470 -0.017 0.000 0.240 292 S C 1.276 175.646 174.600 -0.383 0.000 0.981 292 S CA 0.291 58.309 58.200 -0.304 0.000 0.948 292 S CB -0.375 62.746 63.200 -0.132 0.000 0.759 292 S HN 0.607 nan 8.310 nan 0.000 0.531 293 W N 0.340 121.452 121.300 -0.313 0.000 3.177 293 W HA 0.401 5.051 4.660 -0.017 0.000 0.309 293 W C 0.426 176.942 176.519 -0.006 0.000 1.224 293 W CA -0.712 56.319 57.345 -0.523 0.000 1.718 293 W CB -0.569 28.510 29.460 -0.634 0.000 1.078 293 W HN 0.268 nan 8.180 nan 0.000 0.618 294 Q N 2.920 122.287 119.800 -0.722 0.000 2.281 294 Q HA 0.109 4.439 4.340 -0.017 0.000 0.267 294 Q C -0.758 175.133 176.000 -0.181 0.000 1.053 294 Q CA 0.700 56.140 55.803 -0.604 0.000 0.905 294 Q CB 0.176 28.216 28.738 -1.163 0.000 1.195 294 Q HN 0.035 nan 8.270 nan 0.000 0.398 295 N N 4.649 123.360 118.700 0.019 0.000 2.655 295 N HA 0.118 4.848 4.740 -0.017 0.000 0.277 295 N C -1.876 173.732 175.510 0.162 0.000 1.177 295 N CA -0.453 52.580 53.050 -0.028 0.000 0.882 295 N CB 0.963 39.496 38.487 0.076 0.000 1.481 295 N HN 0.382 nan 8.380 nan 0.000 0.547 296 Y N 0.903 121.233 120.300 0.051 0.000 2.313 296 Y HA 0.428 4.967 4.550 -0.017 0.000 0.332 296 Y C 0.229 176.128 175.900 -0.002 0.000 1.071 296 Y CA -0.859 57.353 58.100 0.186 0.000 1.169 296 Y CB 0.379 39.028 38.460 0.316 0.000 1.192 296 Y HN 0.327 nan 8.280 nan 0.000 0.487 297 F N 3.180 123.269 119.950 0.233 0.000 2.319 297 F HA 0.280 4.796 4.527 -0.017 0.000 0.356 297 F C 1.110 177.018 175.800 0.179 0.000 1.100 297 F CA -0.716 57.363 58.000 0.133 0.000 1.220 297 F CB 0.379 39.404 39.000 0.042 0.000 1.506 297 F HN 0.584 nan 8.300 nan 0.000 0.512 298 D N 0.427 121.070 120.400 0.406 0.000 2.133 298 D HA -0.168 4.461 4.640 -0.017 0.000 0.195 298 D C 1.800 178.327 176.300 0.379 0.000 0.997 298 D CA 1.913 56.218 54.000 0.507 0.000 0.840 298 D CB 0.126 41.150 40.800 0.374 0.000 0.947 298 D HN 0.384 nan 8.370 nan 0.000 0.452 299 T N 0.153 114.851 114.554 0.239 0.000 2.735 299 T HA -0.023 4.317 4.350 -0.017 0.000 0.256 299 T C 2.062 176.790 174.700 0.046 0.000 1.042 299 T CA 1.314 63.494 62.100 0.133 0.000 1.147 299 T CB -0.592 68.322 68.868 0.076 0.000 0.865 299 T HN 0.233 nan 8.240 nan 0.000 0.421 300 G N 0.964 109.783 108.800 0.032 0.000 2.402 300 G HA2 -0.132 3.818 3.960 -0.017 0.000 0.216 300 G HA3 -0.132 3.818 3.960 -0.017 0.000 0.216 300 G C 1.478 176.333 174.900 -0.076 0.000 1.162 300 G CA 0.584 45.621 45.100 -0.106 0.000 0.777 300 G HN 0.493 nan 8.290 nan 0.000 0.539 301 E N -1.010 119.184 120.200 -0.011 0.000 2.102 301 E HA 0.074 4.414 4.350 -0.017 0.000 0.190 301 E C 2.004 178.563 176.600 -0.069 0.000 0.971 301 E CA 0.428 56.753 56.400 -0.124 0.000 0.821 301 E CB 0.011 29.544 29.700 -0.277 0.000 0.777 301 E HN 0.634 nan 8.360 nan 0.000 0.460 302 Y N -0.387 120.065 120.300 0.253 0.000 2.503 302 Y HA 0.138 4.678 4.550 -0.017 0.000 0.277 302 Y C -0.182 175.922 175.900 0.340 0.000 1.102 302 Y CA -0.407 57.910 58.100 0.363 0.000 1.261 302 Y CB 0.741 39.439 38.460 0.396 0.000 1.096 302 Y HN -0.158 nan 8.280 nan 0.000 0.546 303 L N 0.438 121.869 121.223 0.346 0.000 2.939 303 L HA -0.188 4.142 4.340 -0.017 0.000 0.705 303 L C 1.145 178.153 176.870 0.230 0.000 1.098 303 L CA 0.174 55.130 54.840 0.194 0.000 1.347 303 L CB -1.850 40.287 42.059 0.131 0.000 1.956 303 L HN 0.213 nan 8.230 nan 0.000 0.922 304 V N -0.110 119.951 119.914 0.246 0.000 2.380 304 V HA -0.159 3.951 4.120 -0.017 0.000 0.251 304 V C 2.156 178.408 176.094 0.263 0.000 1.063 304 V CA 2.305 64.794 62.300 0.314 0.000 1.055 304 V CB -0.832 31.151 31.823 0.267 0.000 0.657 304 V HN 0.817 nan 8.190 nan 0.000 0.455 305 G N 1.018 109.836 108.800 0.031 0.000 2.432 305 G HA2 -0.278 3.672 3.960 -0.017 0.000 0.219 305 G HA3 -0.278 3.672 3.960 -0.017 0.000 0.219 305 G C 1.573 176.578 174.900 0.176 0.000 1.135 305 G CA 0.920 45.994 45.100 -0.043 0.000 0.767 305 G HN 0.824 nan 8.290 nan 0.000 0.550 306 Q N -0.960 118.826 119.800 -0.023 0.000 2.291 306 Q HA -0.054 4.276 4.340 -0.017 0.000 0.205 306 Q C 1.236 177.089 176.000 -0.245 0.000 0.970 306 Q CA 0.968 56.665 55.803 -0.176 0.000 0.876 306 Q CB -0.323 28.190 28.738 -0.375 0.000 0.935 306 Q HN 0.516 nan 8.270 nan 0.000 0.455 307 Y N 0.815 121.256 120.300 0.236 0.000 2.493 307 Y HA 0.472 5.011 4.550 -0.017 0.000 0.275 307 Y C 0.668 176.729 175.900 0.268 0.000 1.183 307 Y CA -0.778 57.452 58.100 0.216 0.000 1.258 307 Y CB -0.097 38.472 38.460 0.183 0.000 1.108 307 Y HN 0.166 nan 8.280 nan 0.000 0.521 308 A N 1.087 124.153 122.820 0.410 0.000 2.546 308 A HA 0.092 4.401 4.320 -0.017 0.000 0.243 308 A C 0.311 178.085 177.584 0.318 0.000 1.063 308 A CA -0.300 52.018 52.037 0.469 0.000 0.757 308 A CB -0.094 19.188 19.000 0.469 0.000 0.991 308 A HN 0.332 nan 8.150 nan 0.000 0.503 309 N N 1.019 119.914 118.700 0.325 0.000 2.483 309 N HA 0.248 4.978 4.740 -0.017 0.000 0.269 309 N C -0.282 175.318 175.510 0.149 0.000 1.209 309 N CA -0.120 53.056 53.050 0.211 0.000 0.969 309 N CB 0.710 39.312 38.487 0.191 0.000 1.173 309 N HN 0.500 nan 8.380 nan 0.000 0.475 310 S N 0.763 116.509 115.700 0.077 0.000 2.439 310 S HA 0.311 4.771 4.470 -0.017 0.000 0.282 310 S C 0.201 174.811 174.600 0.017 0.000 1.170 310 S CA -0.607 57.602 58.200 0.015 0.000 1.054 310 S CB -0.118 63.069 63.200 -0.021 0.000 0.956 310 S HN 0.225 nan 8.310 nan 0.000 0.490 311 L N 3.912 125.155 121.223 0.033 0.000 2.319 311 L HA 0.345 4.674 4.340 -0.017 0.000 0.280 311 L C 0.500 177.392 176.870 0.036 0.000 1.099 311 L CA -0.576 54.318 54.840 0.090 0.000 0.828 311 L CB 0.416 42.625 42.059 0.249 0.000 1.150 311 L HN 0.418 nan 8.230 nan 0.000 0.442 312 E N 3.054 123.280 120.200 0.044 0.000 2.259 312 E HA 0.235 4.575 4.350 -0.017 0.000 0.281 312 E C -0.475 176.189 176.600 0.106 0.000 1.027 312 E CA -0.910 55.512 56.400 0.037 0.000 0.838 312 E CB 2.015 31.721 29.700 0.008 0.000 1.066 312 E HN 0.246 nan 8.360 nan 0.000 0.401 313 L N 2.080 123.383 121.223 0.133 0.000 2.455 313 L HA 0.261 4.591 4.340 -0.017 0.000 0.272 313 L C 1.316 178.228 176.870 0.070 0.000 1.174 313 L CA 1.770 56.701 54.840 0.151 0.000 0.869 313 L CB 0.247 42.409 42.059 0.173 0.000 1.130 313 L HN 0.811 nan 8.230 nan 0.000 0.474 314 G N 2.237 111.064 108.800 0.045 0.000 2.850 314 G HA2 -0.350 3.600 3.960 -0.017 0.000 0.207 314 G HA3 -0.350 3.600 3.960 -0.017 0.000 0.207 314 G C 1.031 175.939 174.900 0.013 0.000 1.302 314 G CA 0.529 45.643 45.100 0.023 0.000 0.832 314 G HN 1.052 nan 8.290 nan 0.000 0.543 315 C N -0.878 118.430 119.300 0.013 0.000 2.513 315 C HA 0.453 4.902 4.460 -0.017 0.000 0.292 315 C C 2.024 177.010 174.990 -0.006 0.000 1.359 315 C CA 1.555 60.571 59.018 -0.003 0.000 1.778 315 C CB -0.469 27.261 27.740 -0.016 0.000 2.180 315 C HN 0.418 nan 8.230 nan 0.000 0.509 316 D N 0.515 120.921 120.400 0.010 0.000 2.149 316 D HA 0.074 4.704 4.640 -0.017 0.000 0.206 316 D C 0.187 176.522 176.300 0.058 0.000 0.967 316 D CA 1.173 55.185 54.000 0.021 0.000 0.848 316 D CB 0.110 40.934 40.800 0.040 0.000 0.998 316 D HN 0.487 nan 8.370 nan 0.000 0.474 317 c N 1.760 120.383 118.600 0.039 0.000 2.344 317 c HA 0.489 5.049 4.570 -0.017 0.000 0.326 317 c C -0.334 173.694 174.090 -0.103 0.000 1.201 317 c CA -1.106 55.183 56.329 -0.067 0.000 1.410 317 c CB 0.708 43.156 42.510 -0.104 0.000 2.070 317 c HN 0.162 nan 8.230 nan 0.000 0.445 318 L N 4.174 125.321 121.223 -0.127 0.000 2.307 318 L HA 0.944 5.274 4.340 -0.017 0.000 0.282 318 L C 0.538 177.350 176.870 -0.097 0.000 1.051 318 L CA 1.779 56.576 54.840 -0.072 0.000 0.804 318 L CB 0.883 42.931 42.059 -0.017 0.000 1.197 318 L HN 1.086 nan 8.230 nan 0.000 0.431 319 G N 3.438 112.215 108.800 -0.038 0.000 2.384 319 G HA2 -0.139 3.811 3.960 -0.017 0.000 0.204 319 G HA3 -0.139 3.811 3.960 -0.017 0.000 0.204 319 G C -1.142 173.758 174.900 0.000 0.000 1.237 319 G CA -0.247 44.854 45.100 0.002 0.000 1.060 319 G HN 0.718 nan 8.290 nan 0.000 0.514 320 D N 1.416 121.841 120.400 0.043 0.000 2.411 320 D HA 0.435 5.065 4.640 -0.017 0.000 0.225 320 D C 0.279 176.612 176.300 0.056 0.000 1.156 320 D CA -0.225 53.800 54.000 0.041 0.000 0.874 320 D CB 0.097 40.926 40.800 0.048 0.000 1.034 320 D HN 0.373 nan 8.370 nan 0.000 0.502 321 I N 2.512 123.060 120.570 -0.036 0.000 2.392 321 I HA 0.221 4.381 4.170 -0.017 0.000 0.295 321 I C 0.687 176.726 176.117 -0.131 0.000 0.985 321 I CA -0.497 60.714 61.300 -0.148 0.000 1.221 321 I CB 1.509 39.236 38.000 -0.455 0.000 1.366 321 I HN 0.117 nan 8.210 nan 0.000 0.467 322 T N 6.271 120.803 114.554 -0.036 0.000 2.772 322 T HA 0.499 4.839 4.350 -0.017 0.000 0.288 322 T C -0.556 174.115 174.700 -0.049 0.000 0.994 322 T CA -0.272 61.868 62.100 0.066 0.000 0.951 322 T CB 0.441 69.507 68.868 0.329 0.000 0.933 322 T HN 0.160 nan 8.240 nan 0.000 0.447 323 Y N 2.127 122.483 120.300 0.094 0.000 2.376 323 Y HA 0.631 5.171 4.550 -0.017 0.000 0.325 323 Y C 0.272 176.193 175.900 0.035 0.000 1.199 323 Y CA -1.193 56.941 58.100 0.056 0.000 1.206 323 Y CB 0.992 39.473 38.460 0.035 0.000 1.229 323 Y HN 0.371 nan 8.280 nan 0.000 0.480 324 L N 1.429 122.775 121.223 0.205 0.000 2.362 324 L HA 0.528 4.858 4.340 -0.017 0.000 0.271 324 L C -0.603 176.275 176.870 0.015 0.000 1.002 324 L CA -0.656 54.231 54.840 0.079 0.000 0.818 324 L CB 1.962 44.039 42.059 0.029 0.000 1.298 324 L HN 0.535 nan 8.230 nan 0.000 0.420 325 S N 3.136 118.815 115.700 -0.035 0.000 2.406 325 S HA 0.331 4.791 4.470 -0.017 0.000 0.224 325 S C -2.362 172.155 174.600 -0.137 0.000 1.426 325 S CA -1.026 57.116 58.200 -0.097 0.000 1.179 325 S CB 0.781 63.942 63.200 -0.064 0.000 1.042 325 S HN 0.388 nan 8.310 nan 0.000 0.479 326 P HA 0.205 nan 4.420 nan 0.000 0.269 326 P C -0.707 176.495 177.300 -0.163 0.000 1.215 326 P CA -0.266 62.674 63.100 -0.266 0.000 0.780 326 P CB 0.719 32.019 31.700 -0.667 0.000 0.898 327 V N 3.822 123.705 119.914 -0.052 0.000 2.513 327 V HA 0.483 4.593 4.120 -0.017 0.000 0.299 327 V C 0.691 176.806 176.094 0.034 0.000 1.035 327 V CA -0.560 61.733 62.300 -0.012 0.000 0.889 327 V CB 1.208 33.035 31.823 0.006 0.000 0.988 327 V HN 0.516 nan 8.190 nan 0.000 0.440 328 I N 0.800 121.384 120.570 0.024 0.000 3.206 328 I HA 0.807 4.967 4.170 -0.017 0.000 0.313 328 I C -0.200 175.914 176.117 -0.004 0.000 1.103 328 I CA -0.673 60.644 61.300 0.028 0.000 0.985 328 I CB 2.325 40.350 38.000 0.043 0.000 1.240 328 I HN 0.512 nan 8.210 nan 0.000 0.464 329 S N 1.081 116.761 115.700 -0.033 0.000 2.578 329 S HA 0.377 4.837 4.470 -0.017 0.000 0.283 329 S C -0.541 174.035 174.600 -0.040 0.000 1.195 329 S CA -0.553 57.622 58.200 -0.040 0.000 1.050 329 S CB 0.692 63.850 63.200 -0.069 0.000 1.012 329 S HN 0.806 nan 8.310 nan 0.000 0.511 330 D N 2.743 123.131 120.400 -0.019 0.000 2.478 330 D HA 0.395 5.024 4.640 -0.017 0.000 0.274 330 D C 1.204 177.437 176.300 -0.111 0.000 1.234 330 D CA -0.122 53.859 54.000 -0.031 0.000 1.069 330 D CB -0.044 40.777 40.800 0.035 0.000 1.113 330 D HN 0.474 nan 8.370 nan 0.000 0.571 331 A N -1.235 121.431 122.820 -0.257 0.000 2.172 331 A HA -0.000 4.309 4.320 -0.017 0.000 0.216 331 A C 1.389 178.626 177.584 -0.578 0.000 1.154 331 A CA 0.670 52.436 52.037 -0.451 0.000 0.701 331 A CB -0.880 17.752 19.000 -0.613 0.000 0.789 331 A HN 0.445 nan 8.150 nan 0.000 0.465 332 F N -1.521 118.440 119.950 0.018 0.000 2.678 332 F HA 0.403 4.920 4.527 -0.017 0.000 0.305 332 F C 1.746 177.542 175.800 -0.007 0.000 1.090 332 F CA 0.126 58.132 58.000 0.009 0.000 1.272 332 F CB 0.148 39.153 39.000 0.008 0.000 1.060 332 F HN 0.292 nan 8.300 nan 0.000 0.576 333 G N 0.552 109.398 108.800 0.077 0.000 2.175 333 G HA2 -0.290 3.659 3.960 -0.017 0.000 0.244 333 G HA3 -0.290 3.659 3.960 -0.017 0.000 0.244 333 G C -0.001 174.914 174.900 0.026 0.000 0.982 333 G CA -0.262 44.855 45.100 0.029 0.000 0.641 333 G HN 0.431 nan 8.290 nan 0.000 0.527 334 N N 2.416 121.158 118.700 0.069 0.000 2.529 334 N HA 0.508 5.238 4.740 -0.017 0.000 0.278 334 N C -2.281 173.241 175.510 0.020 0.000 1.146 334 N CA -1.077 52.001 53.050 0.046 0.000 0.980 334 N CB 1.476 40.011 38.487 0.079 0.000 1.124 334 N HN 0.156 nan 8.380 nan 0.000 0.458 335 P HA 0.119 nan 4.420 nan 0.000 0.275 335 P C -1.080 176.224 177.300 0.007 0.000 1.227 335 P CA -0.067 63.031 63.100 -0.004 0.000 0.781 335 P CB 1.069 32.761 31.700 -0.013 0.000 0.906 336 R N 1.710 122.212 120.500 0.004 0.000 2.538 336 R HA 0.252 4.582 4.340 -0.017 0.000 0.292 336 R C -0.637 175.658 176.300 -0.008 0.000 1.008 336 R CA -0.568 55.535 56.100 0.005 0.000 0.896 336 R CB 1.793 32.100 30.300 0.013 0.000 1.187 336 R HN 0.538 nan 8.270 nan 0.000 0.440 337 E N 5.205 125.396 120.200 -0.015 0.000 2.216 337 E HA 0.224 4.564 4.350 -0.017 0.000 0.279 337 E C -0.704 175.867 176.600 -0.048 0.000 0.997 337 E CA -0.529 55.849 56.400 -0.037 0.000 0.817 337 E CB 1.055 30.735 29.700 -0.033 0.000 1.096 337 E HN 0.529 nan 8.360 nan 0.000 0.393 338 I N 5.175 125.691 120.570 -0.090 0.000 2.313 338 I HA 0.207 4.367 4.170 -0.017 0.000 0.286 338 I C 0.414 176.466 176.117 -0.108 0.000 1.091 338 I CA -0.678 60.566 61.300 -0.094 0.000 1.216 338 I CB 0.416 38.324 38.000 -0.152 0.000 1.434 338 I HN 0.297 nan 8.210 nan 0.000 0.487 339 R N 5.745 126.197 120.500 -0.080 0.000 2.480 339 R HA -0.030 4.299 4.340 -0.017 0.000 0.303 339 R C 0.312 176.524 176.300 -0.146 0.000 0.985 339 R CA 0.395 56.434 56.100 -0.102 0.000 1.051 339 R CB -0.100 30.146 30.300 -0.090 0.000 0.935 339 R HN 0.592 nan 8.270 nan 0.000 0.410 340 N N 1.619 120.206 118.700 -0.188 0.000 2.725 340 N HA -0.177 4.553 4.740 -0.017 0.000 0.251 340 N C 0.822 176.291 175.510 -0.067 0.000 1.031 340 N CA 1.193 54.065 53.050 -0.296 0.000 0.720 340 N CB -1.241 36.761 38.487 -0.808 0.000 0.930 340 N HN 0.846 nan 8.380 nan 0.000 0.543 341 G N -1.022 107.755 108.800 -0.039 0.000 2.623 341 G HA2 0.233 4.182 3.960 -0.017 0.000 0.214 341 G HA3 0.233 4.182 3.960 -0.017 0.000 0.214 341 G C 0.542 175.505 174.900 0.104 0.000 1.138 341 G CA 0.212 45.309 45.100 -0.007 0.000 0.794 341 G HN 0.448 nan 8.290 nan 0.000 0.535 342 I N 0.359 121.004 120.570 0.125 0.000 2.466 342 I HA 0.313 4.473 4.170 -0.017 0.000 0.289 342 I C -0.781 175.473 176.117 0.227 0.000 1.026 342 I CA -0.890 60.512 61.300 0.171 0.000 1.078 342 I CB 2.447 40.483 38.000 0.060 0.000 1.249 342 I HN -0.187 nan 8.210 nan 0.000 0.429 343 c N 7.025 125.727 118.600 0.170 0.000 2.341 343 c HA 0.678 5.238 4.570 -0.017 0.000 0.338 343 c C 0.041 174.147 174.090 0.027 0.000 1.257 343 c CA -0.437 55.908 56.329 0.026 0.000 1.883 343 c CB 0.638 43.187 42.510 0.064 0.000 2.334 343 c HN 0.663 nan 8.230 nan 0.000 0.524 344 M N 4.356 123.933 119.600 -0.039 0.000 2.267 344 M HA 0.469 4.939 4.480 -0.017 0.000 0.289 344 M C -0.847 175.449 176.300 -0.007 0.000 1.043 344 M CA -0.161 55.055 55.300 -0.139 0.000 0.928 344 M CB 1.803 34.233 32.600 -0.284 0.000 1.613 344 M HN 1.055 nan 8.290 nan 0.000 0.450 345 H N -0.143 118.745 119.070 -0.303 0.000 2.987 345 H HA 0.570 5.115 4.556 -0.017 0.000 0.316 345 H C -1.980 173.260 175.328 -0.147 0.000 1.380 345 H CA -1.329 54.703 56.048 -0.027 0.000 1.160 345 H CB 1.152 30.928 29.762 0.024 0.000 1.865 345 H HN 0.608 nan 8.280 nan 0.000 0.521 346 E N 0.937 121.155 120.200 0.030 0.000 2.195 346 E HA 0.439 4.779 4.350 -0.017 0.000 0.271 346 E C -1.051 175.569 176.600 0.035 0.000 0.923 346 E CA -1.120 55.203 56.400 -0.129 0.000 0.790 346 E CB 2.616 32.404 29.700 0.147 0.000 1.155 346 E HN 0.757 nan 8.360 nan 0.000 0.402 347 E N 1.958 122.152 120.200 -0.011 0.000 2.317 347 E HA 0.262 4.601 4.350 -0.017 0.000 0.270 347 E C -1.298 175.431 176.600 0.215 0.000 0.885 347 E CA -1.061 55.417 56.400 0.130 0.000 0.760 347 E CB 1.594 31.379 29.700 0.141 0.000 1.227 347 E HN 0.528 nan 8.360 nan 0.000 0.434 348 D N 1.659 122.193 120.400 0.223 0.000 2.488 348 D HA -0.095 4.534 4.640 -0.017 0.000 0.238 348 D C -0.939 175.566 176.300 0.341 0.000 1.138 348 D CA 0.240 54.378 54.000 0.230 0.000 0.873 348 D CB 0.506 41.386 40.800 0.133 0.000 1.183 348 D HN 0.524 nan 8.370 nan 0.000 0.458 349 W N 5.922 127.267 121.300 0.075 0.000 1.340 349 W HA 0.371 5.021 4.660 -0.018 0.000 0.301 349 W C 0.344 176.898 176.519 0.058 0.000 0.834 349 W CA 0.091 57.480 57.345 0.074 0.000 2.473 349 W CB 0.063 29.616 29.460 0.155 0.000 1.837 349 W HN 0.841 nan 8.180 nan 0.000 0.528 350 G N 1.937 110.648 108.800 -0.148 0.000 2.552 350 G HA2 -0.330 3.619 3.960 -0.017 0.000 0.265 350 G HA3 -0.330 3.619 3.960 -0.017 0.000 0.265 350 G C -0.407 174.464 174.900 -0.050 0.000 1.234 350 G CA -0.076 44.922 45.100 -0.169 0.000 0.944 350 G HN 0.067 nan 8.290 nan 0.000 0.568 351 I N 1.366 121.900 120.570 -0.060 0.000 2.441 351 I HA 0.257 4.416 4.170 -0.017 0.000 0.287 351 I C 1.549 177.687 176.117 0.034 0.000 1.049 351 I CA -0.174 61.119 61.300 -0.012 0.000 1.381 351 I CB 0.870 38.855 38.000 -0.024 0.000 1.409 351 I HN 0.636 nan 8.210 nan 0.000 0.523 352 L N 6.467 127.727 121.223 0.061 0.000 2.200 352 L HA 0.468 4.798 4.340 -0.017 0.000 0.200 352 L C 0.625 177.547 176.870 0.086 0.000 1.072 352 L CA 1.088 55.986 54.840 0.096 0.000 0.787 352 L CB 0.076 42.200 42.059 0.109 0.000 0.957 352 L HN 0.702 nan 8.230 nan 0.000 0.459 353 A N -0.494 122.381 122.820 0.092 0.000 2.589 353 A HA 0.656 4.966 4.320 -0.017 0.000 0.296 353 A C -1.118 176.567 177.584 0.168 0.000 1.062 353 A CA -0.601 51.523 52.037 0.144 0.000 0.686 353 A CB 1.118 20.255 19.000 0.228 0.000 1.282 353 A HN 0.067 nan 8.150 nan 0.000 0.404 354 K N 0.970 121.484 120.400 0.189 0.000 2.557 354 K HA 0.575 4.884 4.320 -0.017 0.000 0.257 354 K C -2.171 174.578 176.600 0.247 0.000 0.933 354 K CA -0.500 55.906 56.287 0.197 0.000 0.820 354 K CB 1.718 34.269 32.500 0.084 0.000 1.330 354 K HN 1.071 nan 8.250 nan 0.000 0.432 355 H N 0.401 119.555 119.070 0.141 0.000 3.099 355 H HA 0.370 4.916 4.556 -0.018 0.000 0.342 355 H C -1.892 173.468 175.328 0.053 0.000 1.054 355 H CA -0.344 55.739 56.048 0.059 0.000 1.328 355 H CB 1.864 31.634 29.762 0.013 0.000 1.876 355 H HN 0.413 nan 8.280 nan 0.000 0.495 356 S N 4.175 119.565 115.700 -0.517 0.000 2.520 356 S HA 0.157 4.617 4.470 -0.017 0.000 0.324 356 S C -0.741 173.416 174.600 -0.739 0.000 1.069 356 S CA -0.654 57.293 58.200 -0.421 0.000 1.121 356 S CB 0.409 63.477 63.200 -0.220 0.000 0.971 356 S HN 0.658 nan 8.310 nan 0.000 0.463 357 D N 2.195 122.242 120.400 -0.589 0.000 2.280 357 D HA 0.281 4.911 4.640 -0.017 0.000 0.243 357 D C 0.970 177.162 176.300 -0.181 0.000 1.129 357 D CA -0.560 53.212 54.000 -0.379 0.000 0.848 357 D CB 0.849 41.636 40.800 -0.022 0.000 1.107 357 D HN 0.262 nan 8.370 nan 0.000 0.471 358 L N 5.572 126.659 121.223 -0.227 0.000 1.976 358 L HA -0.038 4.291 4.340 -0.017 0.000 0.209 358 L C 1.487 178.373 176.870 0.027 0.000 1.071 358 L CA 1.584 56.333 54.840 -0.152 0.000 0.746 358 L CB -0.481 41.414 42.059 -0.274 0.000 0.890 358 L HN 0.602 nan 8.230 nan 0.000 0.432 359 W N -0.046 121.260 121.300 0.009 0.000 2.338 359 W HA -0.168 4.488 4.660 -0.006 0.000 0.304 359 W C 3.040 179.564 176.519 0.009 0.000 1.212 359 W CA 1.692 59.044 57.345 0.012 0.000 1.264 359 W CB -1.845 27.627 29.460 0.020 0.000 1.142 359 W HN 0.562 nan 8.180 nan 0.000 0.512 360 S N -0.974 114.865 115.700 0.231 0.000 2.478 360 S HA 0.265 4.725 4.470 -0.017 0.000 0.222 360 S C 1.805 176.455 174.600 0.082 0.000 1.008 360 S CA 1.057 59.339 58.200 0.137 0.000 0.928 360 S CB -0.086 63.185 63.200 0.118 0.000 0.781 360 S HN 0.463 nan 8.310 nan 0.000 0.518 361 G N 1.006 109.840 108.800 0.057 0.000 2.159 361 G HA2 -0.230 3.720 3.960 -0.017 0.000 0.256 361 G HA3 -0.230 3.720 3.960 -0.017 0.000 0.256 361 G C -0.000 174.908 174.900 0.014 0.000 0.977 361 G CA 0.354 45.469 45.100 0.026 0.000 0.652 361 G HN 0.603 nan 8.290 nan 0.000 0.531 362 I N 1.242 121.824 120.570 0.020 0.000 2.365 362 I HA 0.309 4.469 4.170 -0.017 0.000 0.291 362 I C -0.422 175.702 176.117 0.012 0.000 1.004 362 I CA -0.846 60.474 61.300 0.032 0.000 1.311 362 I CB 1.108 39.143 38.000 0.058 0.000 1.401 362 I HN -0.041 nan 8.210 nan 0.000 0.491 363 N N 6.196 124.915 118.700 0.030 0.000 2.392 363 N HA 0.318 5.048 4.740 -0.017 0.000 0.283 363 N C -1.373 174.211 175.510 0.123 0.000 1.003 363 N CA -0.447 52.617 53.050 0.024 0.000 0.892 363 N CB 1.853 40.334 38.487 -0.010 0.000 1.193 363 N HN 0.457 nan 8.380 nan 0.000 0.487 364 Y N 0.983 121.274 120.300 -0.013 0.000 2.361 364 Y HA 0.470 5.011 4.550 -0.014 0.000 0.337 364 Y C -1.022 174.887 175.900 0.016 0.000 0.965 364 Y CA -0.328 57.780 58.100 0.014 0.000 1.091 364 Y CB 1.561 40.046 38.460 0.042 0.000 1.182 364 Y HN 0.333 nan 8.280 nan 0.000 0.450 365 T N 6.926 121.301 114.554 -0.298 0.000 2.971 365 T HA 0.582 4.922 4.350 -0.017 0.000 0.304 365 T C -1.210 173.262 174.700 -0.380 0.000 1.038 365 T CA -0.981 60.979 62.100 -0.233 0.000 1.007 365 T CB 1.125 69.930 68.868 -0.106 0.000 1.055 365 T HN 0.411 nan 8.240 nan 0.000 0.451 366 R N 1.855 122.192 120.500 -0.271 0.000 2.686 366 R HA 0.551 4.880 4.340 -0.017 0.000 0.283 366 R C -0.405 175.860 176.300 -0.058 0.000 0.978 366 R CA -0.853 55.128 56.100 -0.198 0.000 0.897 366 R CB 2.238 32.424 30.300 -0.190 0.000 1.192 366 R HN 0.549 nan 8.270 nan 0.000 0.457 367 R N 1.078 121.564 120.500 -0.022 0.000 2.536 367 R HA 0.344 4.674 4.340 -0.017 0.000 0.279 367 R C 0.128 176.485 176.300 0.095 0.000 1.001 367 R CA -0.842 55.277 56.100 0.032 0.000 1.027 367 R CB 1.016 31.334 30.300 0.031 0.000 1.096 367 R HN 0.380 nan 8.270 nan 0.000 0.502 368 N N 0.885 119.677 118.700 0.154 0.000 2.477 368 N HA 0.400 5.130 4.740 -0.017 0.000 0.284 368 N C -0.985 174.729 175.510 0.341 0.000 1.182 368 N CA -0.353 52.858 53.050 0.268 0.000 0.949 368 N CB 1.154 39.850 38.487 0.348 0.000 1.204 368 N HN 0.420 nan 8.380 nan 0.000 0.526 369 R N -0.174 120.583 120.500 0.428 0.000 2.710 369 R HA 0.507 4.837 4.340 -0.017 0.000 0.270 369 R C -0.958 175.612 176.300 0.451 0.000 1.021 369 R CA -0.863 55.506 56.100 0.448 0.000 0.889 369 R CB 2.291 32.886 30.300 0.492 0.000 1.243 369 R HN 0.697 nan 8.270 nan 0.000 0.464 370 R N 0.875 121.449 120.500 0.124 0.000 2.651 370 R HA 0.532 4.862 4.340 -0.017 0.000 0.278 370 R C -1.225 174.628 176.300 -0.744 0.000 1.010 370 R CA -1.018 54.844 56.100 -0.397 0.000 0.896 370 R CB 1.669 31.336 30.300 -1.055 0.000 1.211 370 R HN 0.400 nan 8.270 nan 0.000 0.456 371 M N 2.834 121.659 119.600 -1.292 0.000 2.180 371 M HA 0.331 4.801 4.480 -0.017 0.000 0.358 371 M C -1.481 174.329 176.300 -0.816 0.000 1.233 371 M CA -0.507 53.958 55.300 -1.393 0.000 1.114 371 M CB 1.637 33.199 32.600 -1.730 0.000 1.594 371 M HN 0.533 nan 8.290 nan 0.000 0.467 372 V N 7.064 126.548 119.914 -0.717 0.000 2.540 372 V HA 0.579 4.688 4.120 -0.017 0.000 0.302 372 V C -0.640 175.239 176.094 -0.359 0.000 1.035 372 V CA -0.583 61.450 62.300 -0.443 0.000 0.873 372 V CB 1.674 33.208 31.823 -0.482 0.000 0.992 372 V HN 0.797 nan 8.190 nan 0.000 0.428 373 I N 4.541 124.990 120.570 -0.201 0.000 2.439 373 I HA 0.672 4.832 4.170 -0.017 0.000 0.285 373 I C -0.085 176.048 176.117 0.027 0.000 1.021 373 I CA 0.121 61.368 61.300 -0.088 0.000 1.091 373 I CB 2.048 39.991 38.000 -0.096 0.000 1.242 373 I HN 0.795 nan 8.210 nan 0.000 0.439 374 S N 5.389 121.118 115.700 0.048 0.000 2.625 374 S HA 0.883 5.343 4.470 -0.017 0.000 0.271 374 S C -0.950 173.764 174.600 0.191 0.000 1.161 374 S CA -0.763 57.416 58.200 -0.036 0.000 0.820 374 S CB 2.451 65.331 63.200 -0.534 0.000 1.137 374 S HN 0.556 nan 8.310 nan 0.000 0.470 375 F N -1.249 118.669 119.950 -0.053 0.000 2.686 375 F HA 0.896 5.412 4.527 -0.017 0.000 0.311 375 F C -2.252 173.653 175.800 0.176 0.000 1.128 375 F CA -1.611 56.463 58.000 0.124 0.000 0.946 375 F CB 0.905 40.032 39.000 0.211 0.000 1.336 375 F HN 0.636 nan 8.300 nan 0.000 0.457 376 F N 0.830 120.820 119.950 0.066 0.000 2.556 376 F HA 0.690 5.206 4.527 -0.017 0.000 0.314 376 F C -0.234 175.686 175.800 0.201 0.000 1.106 376 F CA -0.373 57.638 58.000 0.017 0.000 0.911 376 F CB 2.357 41.395 39.000 0.064 0.000 1.190 376 F HN 0.881 nan 8.300 nan 0.000 0.448 377 T N 1.951 116.741 114.554 0.394 0.000 2.916 377 T HA 0.665 5.005 4.350 -0.017 0.000 0.292 377 T C -1.224 173.707 174.700 0.384 0.000 1.055 377 T CA -0.329 62.049 62.100 0.464 0.000 1.009 377 T CB 1.449 70.641 68.868 0.540 0.000 1.118 377 T HN 0.559 nan 8.240 nan 0.000 0.497 378 T N 4.164 118.895 114.554 0.295 0.000 2.840 378 T HA 0.551 4.890 4.350 -0.017 0.000 0.287 378 T C -0.781 173.911 174.700 -0.014 0.000 0.991 378 T CA -0.561 61.609 62.100 0.117 0.000 0.964 378 T CB 0.513 69.426 68.868 0.075 0.000 0.954 378 T HN 0.414 nan 8.240 nan 0.000 0.438 379 I N 3.837 124.341 120.570 -0.111 0.000 2.502 379 I HA 0.405 4.565 4.170 -0.017 0.000 0.276 379 I C 1.253 177.144 176.117 -0.378 0.000 1.057 379 I CA 0.063 61.170 61.300 -0.321 0.000 1.163 379 I CB -0.081 37.813 38.000 -0.176 0.000 1.288 379 I HN 0.960 nan 8.210 nan 0.000 0.479 380 G N 7.180 115.744 108.800 -0.393 0.000 2.574 380 G HA2 -0.306 3.644 3.960 -0.017 0.000 0.301 380 G HA3 -0.306 3.644 3.960 -0.017 0.000 0.301 380 G C 0.404 175.173 174.900 -0.218 0.000 1.166 380 G CA 0.467 45.424 45.100 -0.239 0.000 0.971 380 G HN 0.671 nan 8.290 nan 0.000 0.542 384 Y N 0.243 120.550 120.300 0.011 0.000 2.425 384 Y HA 0.708 5.248 4.550 -0.017 0.000 0.344 384 Y C 0.739 175.940 175.900 -1.166 0.000 0.969 384 Y CA -1.099 56.753 58.100 -0.414 0.000 1.052 384 Y CB 2.511 40.861 38.460 -0.183 0.000 1.215 384 Y HN 0.455 nan 8.280 nan 0.000 0.451 385 G N 2.313 110.275 108.800 -1.396 0.000 2.372 385 G HA2 0.587 4.536 3.960 -0.017 0.000 0.323 385 G HA3 0.587 4.536 3.960 -0.017 0.000 0.323 385 G C -1.665 172.743 174.900 -0.819 0.000 1.152 385 G CA -0.410 43.830 45.100 -1.434 0.000 0.906 385 G HN 0.342 nan 8.290 nan 0.000 0.460 386 F N 1.501 120.942 119.950 -0.849 0.000 2.402 386 F HA 0.486 5.002 4.527 -0.017 0.000 0.355 386 F C -0.690 174.722 175.800 -0.646 0.000 1.123 386 F CA -0.790 56.917 58.000 -0.488 0.000 1.021 386 F CB 1.830 40.694 39.000 -0.227 0.000 1.160 386 F HN 0.316 nan 8.300 nan 0.000 0.451 387 Y N 1.373 121.281 120.300 -0.654 0.000 2.391 387 Y HA 0.455 4.995 4.550 -0.017 0.000 0.341 387 Y C -1.080 174.130 175.900 -1.150 0.000 0.965 387 Y CA -1.482 56.164 58.100 -0.756 0.000 1.067 387 Y CB 1.479 39.436 38.460 -0.839 0.000 1.199 387 Y HN 0.524 nan 8.280 nan 0.000 0.450 388 W N 3.230 124.194 121.300 -0.560 0.000 2.632 388 W HA 0.634 5.283 4.660 -0.018 0.000 0.328 388 W C -1.466 174.618 176.519 -0.725 0.000 1.044 388 W CA -0.745 56.297 57.345 -0.504 0.000 1.225 388 W CB 1.274 30.608 29.460 -0.210 0.000 1.396 388 W HN 0.319 nan 8.180 nan 0.000 0.499 389 Y N 2.673 122.879 120.300 -0.157 0.000 2.462 389 Y HA 0.662 5.202 4.550 -0.017 0.000 0.346 389 Y C -0.362 175.228 175.900 -0.517 0.000 0.976 389 Y CA -1.632 56.178 58.100 -0.483 0.000 1.044 389 Y CB 1.277 39.324 38.460 -0.688 0.000 1.230 389 Y HN 0.058 nan 8.280 nan 0.000 0.455 390 L N 3.866 124.746 121.223 -0.572 0.000 2.349 390 L HA 0.525 4.855 4.340 -0.017 0.000 0.278 390 L C -1.269 175.417 176.870 -0.306 0.000 0.996 390 L CA -0.833 53.626 54.840 -0.635 0.000 0.825 390 L CB 1.309 42.686 42.059 -1.136 0.000 1.243 390 L HN 0.604 nan 8.230 nan 0.000 0.412 391 Y N 1.910 122.374 120.300 0.274 0.000 2.453 391 Y HA 0.313 4.853 4.550 -0.017 0.000 0.326 391 Y C 1.211 177.571 175.900 0.766 0.000 1.186 391 Y CA -0.743 57.628 58.100 0.451 0.000 1.200 391 Y CB 1.432 40.043 38.460 0.251 0.000 1.247 391 Y HN 0.442 nan 8.280 nan 0.000 0.482 392 L N 0.731 122.387 121.223 0.721 0.000 2.081 392 L HA -0.228 4.101 4.340 -0.017 0.000 0.212 392 L C 1.768 178.886 176.870 0.414 0.000 1.080 392 L CA 1.767 56.883 54.840 0.461 0.000 0.754 392 L CB -0.326 41.884 42.059 0.251 0.000 0.893 392 L HN 0.774 nan 8.230 nan 0.000 0.433 393 D N -0.472 120.151 120.400 0.372 0.000 2.363 393 D HA -0.034 4.596 4.640 -0.017 0.000 0.226 393 D C 1.437 177.835 176.300 0.163 0.000 1.020 393 D CA 0.952 55.061 54.000 0.181 0.000 0.892 393 D CB 0.245 41.121 40.800 0.127 0.000 0.900 393 D HN 0.356 nan 8.370 nan 0.000 0.531 394 G N -0.633 108.448 108.800 0.468 0.000 2.179 394 G HA2 -0.230 3.720 3.960 -0.017 0.000 0.220 394 G HA3 -0.230 3.720 3.960 -0.017 0.000 0.220 394 G C 0.353 175.739 174.900 0.810 0.000 0.990 394 G CA 0.169 45.577 45.100 0.513 0.000 0.646 394 G HN 0.448 nan 8.290 nan 0.000 0.517 395 T N 1.165 116.118 114.554 0.664 0.000 2.907 395 T HA 0.575 4.915 4.350 -0.017 0.000 0.298 395 T C 0.480 175.554 174.700 0.622 0.000 1.017 395 T CA 0.451 62.876 62.100 0.542 0.000 1.118 395 T CB 1.264 70.273 68.868 0.236 0.000 0.948 395 T HN 0.329 nan 8.240 nan 0.000 0.531 396 I N 2.564 123.421 120.570 0.479 0.000 2.465 396 I HA 0.486 4.646 4.170 -0.017 0.000 0.291 396 I C 0.095 176.370 176.117 0.262 0.000 1.014 396 I CA -0.583 60.895 61.300 0.296 0.000 1.093 396 I CB 1.873 40.020 38.000 0.246 0.000 1.267 396 I HN 0.599 nan 8.210 nan 0.000 0.431 397 E N 5.599 125.911 120.200 0.186 0.000 2.383 397 E HA 0.513 4.853 4.350 -0.017 0.000 0.275 397 E C -2.013 174.424 176.600 -0.272 0.000 0.918 397 E CA -0.656 55.746 56.400 0.003 0.000 0.764 397 E CB 2.723 32.561 29.700 0.230 0.000 1.252 397 E HN 0.406 nan 8.360 nan 0.000 0.449 398 F N 2.156 121.551 119.950 -0.925 0.000 2.551 398 F HA 0.519 5.035 4.527 -0.017 0.000 0.316 398 F C -1.281 173.991 175.800 -0.881 0.000 1.089 398 F CA -0.533 56.721 58.000 -1.243 0.000 0.915 398 F CB 1.861 39.783 39.000 -1.796 0.000 1.186 398 F HN 0.503 nan 8.300 nan 0.000 0.456 399 E N 4.238 123.279 120.200 -1.932 0.000 2.278 399 E HA 0.678 5.018 4.350 -0.017 0.000 0.272 399 E C -1.881 173.829 176.600 -1.484 0.000 0.890 399 E CA -0.934 54.707 56.400 -1.265 0.000 0.770 399 E CB 1.734 31.120 29.700 -0.522 0.000 1.212 399 E HN 0.879 nan 8.360 nan 0.000 0.415 400 A N 4.550 126.728 122.820 -1.070 0.000 2.305 400 A HA 0.551 4.861 4.320 -0.017 0.000 0.322 400 A C -0.731 176.575 177.584 -0.463 0.000 1.187 400 A CA -0.640 50.892 52.037 -0.841 0.000 0.825 400 A CB 0.761 19.116 19.000 -1.075 0.000 1.164 400 A HN 0.551 nan 8.150 nan 0.000 0.498 401 K N 1.612 121.801 120.400 -0.350 0.000 2.394 401 K HA 0.571 4.881 4.320 -0.017 0.000 0.260 401 K C -0.731 175.814 176.600 -0.092 0.000 0.967 401 K CA -0.325 55.861 56.287 -0.167 0.000 0.855 401 K CB 2.176 34.638 32.500 -0.064 0.000 1.101 401 K HN 0.730 nan 8.250 nan 0.000 0.433 402 A N 2.485 125.293 122.820 -0.020 0.000 2.276 402 A HA 0.566 4.876 4.320 -0.017 0.000 0.316 402 A C -0.119 177.443 177.584 -0.037 0.000 1.229 402 A CA -0.262 51.778 52.037 0.004 0.000 0.851 402 A CB 1.294 20.255 19.000 -0.064 0.000 1.165 402 A HN 0.676 nan 8.150 nan 0.000 0.513 403 T N 0.858 115.372 114.554 -0.067 0.000 2.598 403 T HA 0.822 5.162 4.350 -0.017 0.000 0.289 403 T C 0.340 174.957 174.700 -0.139 0.000 1.056 403 T CA 1.000 63.068 62.100 -0.053 0.000 1.088 403 T CB 0.834 69.717 68.868 0.025 0.000 1.519 403 T HN 2.630 nan 8.240 nan 0.000 0.488 404 G N -0.166 108.545 108.800 -0.149 0.000 2.416 404 G HA2 0.050 4.000 3.960 -0.017 0.000 0.203 404 G HA3 0.050 4.000 3.960 -0.017 0.000 0.203 404 G C -1.268 173.501 174.900 -0.219 0.000 1.227 404 G CA -0.215 44.761 45.100 -0.206 0.000 1.041 404 G HN 1.296 nan 8.290 nan 0.000 0.546 405 V N 0.432 120.182 119.914 -0.275 0.000 2.459 405 V HA 0.586 4.695 4.120 -0.017 0.000 0.295 405 V C 1.008 177.003 176.094 -0.165 0.000 1.029 405 V CA -0.694 61.465 62.300 -0.236 0.000 0.874 405 V CB 1.461 33.064 31.823 -0.366 0.000 0.985 405 V HN 0.896 nan 8.190 nan 0.000 0.438 406 V N 4.604 124.572 119.914 0.091 0.000 2.763 406 V HA 0.050 4.160 4.120 -0.017 0.000 0.306 406 V C 0.059 176.256 176.094 0.171 0.000 1.059 406 V CA 0.195 62.613 62.300 0.196 0.000 1.138 406 V CB 0.653 32.675 31.823 0.331 0.000 0.940 406 V HN 0.679 nan 8.190 nan 0.000 0.489 407 F N 5.173 125.156 119.950 0.055 0.000 2.467 407 F HA 0.367 4.884 4.527 -0.017 0.000 0.362 407 F C 0.909 176.830 175.800 0.203 0.000 1.090 407 F CA -0.076 57.976 58.000 0.087 0.000 1.202 407 F CB 0.752 39.767 39.000 0.024 0.000 1.113 407 F HN 0.692 nan 8.300 nan 0.000 0.541 408 T N 1.722 116.274 114.554 -0.005 0.000 2.937 408 T HA 0.832 5.171 4.350 -0.017 0.000 0.283 408 T C -0.178 174.560 174.700 0.065 0.000 1.012 408 T CA -0.234 61.915 62.100 0.081 0.000 0.997 408 T CB 1.622 70.523 68.868 0.055 0.000 1.136 408 T HN 0.726 nan 8.240 nan 0.000 0.551 409 S N -0.585 115.122 115.700 0.012 0.000 2.727 409 S HA 0.772 5.231 4.470 -0.017 0.000 0.278 409 S C -0.646 173.896 174.600 -0.098 0.000 1.186 409 S CA -0.786 57.371 58.200 -0.071 0.000 0.836 409 S CB 0.747 63.913 63.200 -0.056 0.000 1.186 409 S HN 1.412 nan 8.310 nan 0.000 0.499 410 A N 0.429 123.132 122.820 -0.196 0.000 2.322 410 A HA 0.704 5.013 4.320 -0.017 0.000 0.269 410 A C -0.811 176.762 177.584 -0.019 0.000 1.094 410 A CA -0.425 51.544 52.037 -0.112 0.000 0.807 410 A CB -0.112 18.767 19.000 -0.201 0.000 1.047 410 A HN 0.989 nan 8.150 nan 0.000 0.487 411 F N 2.687 122.608 119.950 -0.048 0.000 2.391 411 F HA 0.522 5.039 4.527 -0.017 0.000 0.359 411 F C -2.158 173.668 175.800 0.043 0.000 1.122 411 F CA -2.603 55.383 58.000 -0.025 0.000 1.120 411 F CB 0.951 39.935 39.000 -0.027 0.000 1.142 411 F HN 0.299 nan 8.300 nan 0.000 0.483 412 P HA -0.043 nan 4.420 nan 0.000 0.264 412 P C -0.856 176.247 177.300 -0.328 0.000 1.183 412 P CA 0.064 62.980 63.100 -0.307 0.000 0.763 412 P CB 0.413 31.917 31.700 -0.327 0.000 0.807 413 E N 2.139 122.283 120.200 -0.093 0.000 2.366 413 E HA 0.254 4.594 4.350 -0.017 0.000 0.266 413 E C 0.908 177.465 176.600 -0.071 0.000 1.015 413 E CA 0.551 56.926 56.400 -0.040 0.000 0.906 413 E CB -0.463 29.226 29.700 -0.019 0.000 0.979 413 E HN 0.756 nan 8.360 nan 0.000 0.443 414 G N 2.934 111.714 108.800 -0.033 0.000 2.144 414 G HA2 -0.133 3.817 3.960 -0.017 0.000 0.218 414 G HA3 -0.133 3.817 3.960 -0.017 0.000 0.218 414 G C 0.544 175.410 174.900 -0.056 0.000 0.988 414 G CA -0.153 44.930 45.100 -0.028 0.000 0.659 414 G HN 1.345 nan 8.290 nan 0.000 0.522 415 G N -1.532 107.189 108.800 -0.132 0.000 2.828 415 G HA2 0.388 4.338 3.960 -0.017 0.000 0.463 415 G HA3 0.388 4.338 3.960 -0.017 0.000 0.463 415 G C -0.116 174.598 174.900 -0.310 0.000 1.394 415 G CA 0.876 45.883 45.100 -0.154 0.000 0.862 415 G HN 2.225 nan 8.290 nan 0.000 0.540 416 S N -1.234 114.374 115.700 -0.153 0.000 2.537 416 S HA 0.596 5.055 4.470 -0.017 0.000 0.270 416 S C -0.101 174.485 174.600 -0.024 0.000 1.142 416 S CA 0.323 58.434 58.200 -0.147 0.000 0.870 416 S CB 1.784 64.822 63.200 -0.271 0.000 1.112 416 S HN 0.588 nan 8.310 nan 0.000 0.466 417 D N 2.513 122.892 120.400 -0.034 0.000 2.339 417 D HA 0.182 4.811 4.640 -0.017 0.000 0.217 417 D C 0.336 176.629 176.300 -0.013 0.000 1.050 417 D CA 0.535 54.560 54.000 0.042 0.000 0.856 417 D CB 0.020 40.850 40.800 0.051 0.000 0.922 417 D HN 0.626 nan 8.370 nan 0.000 0.518 418 N N -0.586 117.934 118.700 -0.300 0.000 2.184 418 N HA 0.270 5.000 4.740 -0.017 0.000 0.234 418 N C -0.417 174.385 175.510 -1.180 0.000 1.282 418 N CA -0.014 52.657 53.050 -0.631 0.000 0.877 418 N CB 1.677 40.037 38.487 -0.212 0.000 1.184 418 N HN -0.015 nan 8.380 nan 0.000 0.510 419 I N 0.289 120.273 120.570 -0.977 0.000 2.752 419 I HA 0.327 4.487 4.170 -0.017 0.000 0.295 419 I C -0.777 175.341 176.117 0.002 0.000 1.219 419 I CA -0.966 60.051 61.300 -0.471 0.000 1.030 419 I CB 2.222 40.161 38.000 -0.102 0.000 1.259 419 I HN -0.052 nan 8.210 nan 0.000 0.423 420 S N 3.618 119.475 115.700 0.262 0.000 2.578 420 S HA 0.528 4.988 4.470 -0.017 0.000 0.301 420 S C -0.737 173.849 174.600 -0.022 0.000 1.091 420 S CA -0.804 57.574 58.200 0.296 0.000 1.032 420 S CB 2.060 65.514 63.200 0.423 0.000 1.064 420 S HN 0.673 nan 8.310 nan 0.000 0.508 421 Q N 0.894 120.374 119.800 -0.533 0.000 2.279 421 Q HA 0.438 4.767 4.340 -0.017 0.000 0.256 421 Q C -0.184 175.610 176.000 -0.343 0.000 0.937 421 Q CA -0.488 54.835 55.803 -0.799 0.000 0.933 421 Q CB 0.699 28.599 28.738 -1.397 0.000 1.189 421 Q HN 0.869 nan 8.270 nan 0.000 0.417 422 L N 2.236 123.286 121.223 -0.289 0.000 2.500 422 L HA 0.525 4.855 4.340 -0.017 0.000 0.219 422 L C 0.378 177.111 176.870 -0.228 0.000 1.057 422 L CA 0.164 54.865 54.840 -0.230 0.000 0.854 422 L CB 0.550 42.382 42.059 -0.379 0.000 1.078 422 L HN 0.653 nan 8.230 nan 0.000 0.480 423 A N -1.058 121.597 122.820 -0.276 0.000 2.581 423 A HA 0.635 4.944 4.320 -0.017 0.000 0.290 423 A C -2.738 174.771 177.584 -0.125 0.000 1.119 423 A CA -1.012 50.931 52.037 -0.157 0.000 0.670 423 A CB 0.346 19.245 19.000 -0.170 0.000 1.280 423 A HN -0.230 nan 8.150 nan 0.000 0.425 424 P HA 0.293 nan 4.420 nan 0.000 0.258 424 P C 0.997 178.304 177.300 0.011 0.000 1.187 424 P CA 2.324 65.418 63.100 -0.010 0.000 0.767 424 P CB 0.328 32.037 31.700 0.016 0.000 0.770 425 G N 2.423 111.257 108.800 0.057 0.000 2.212 425 G HA2 -0.282 3.668 3.960 -0.017 0.000 0.266 425 G HA3 -0.282 3.668 3.960 -0.017 0.000 0.266 425 G C -0.135 174.814 174.900 0.082 0.000 0.978 425 G CA -0.137 45.027 45.100 0.107 0.000 0.632 425 G HN 0.561 nan 8.290 nan 0.000 0.537 426 L N 1.898 123.106 121.223 -0.025 0.000 2.264 426 L HA 0.776 5.105 4.340 -0.017 0.000 0.289 426 L C 0.734 177.548 176.870 -0.094 0.000 1.044 426 L CA 0.208 54.971 54.840 -0.128 0.000 0.807 426 L CB 1.075 42.920 42.059 -0.357 0.000 1.192 426 L HN 0.390 nan 8.230 nan 0.000 0.425 427 G N 3.361 112.165 108.800 0.006 0.000 2.537 427 G HA2 0.781 4.730 3.960 -0.017 0.000 0.323 427 G HA3 0.781 4.730 3.960 -0.017 0.000 0.323 427 G C -1.633 173.301 174.900 0.056 0.000 1.207 427 G CA -0.339 44.833 45.100 0.119 0.000 0.976 427 G HN 0.936 nan 8.290 nan 0.000 0.487 428 A N 1.228 124.131 122.820 0.139 0.000 2.457 428 A HA 0.754 5.063 4.320 -0.017 0.000 0.283 428 A C -2.858 174.896 177.584 0.284 0.000 1.166 428 A CA -1.305 50.864 52.037 0.221 0.000 0.740 428 A CB 1.648 20.793 19.000 0.242 0.000 1.181 428 A HN 0.403 nan 8.150 nan 0.000 0.446 429 P HA 0.228 nan 4.420 nan 0.000 0.268 429 P C -0.357 177.219 177.300 0.460 0.000 1.205 429 P CA 0.137 63.380 63.100 0.237 0.000 0.771 429 P CB 0.201 32.071 31.700 0.284 0.000 0.858 430 F N 3.184 123.257 119.950 0.205 0.000 2.496 430 F HA 0.225 4.742 4.527 -0.017 0.000 0.344 430 F C 1.636 177.386 175.800 -0.085 0.000 1.155 430 F CA 0.472 58.492 58.000 0.034 0.000 1.302 430 F CB -0.421 38.612 39.000 0.055 0.000 1.159 430 F HN 0.508 nan 8.300 nan 0.000 0.595 431 H N -0.535 118.399 119.070 -0.226 0.000 2.902 431 H HA 0.493 5.038 4.556 -0.017 0.000 0.297 431 H C -1.836 173.196 175.328 -0.494 0.000 1.406 431 H CA -1.109 54.594 56.048 -0.575 0.000 1.134 431 H CB 1.421 30.423 29.762 -1.268 0.000 1.833 431 H HN 0.581 nan 8.280 nan 0.000 0.527 432 Q N 0.088 119.617 119.800 -0.453 0.000 2.484 432 Q HA 0.389 4.719 4.340 -0.017 0.000 0.285 432 Q C -1.107 174.662 176.000 -0.386 0.000 1.097 432 Q CA -0.958 54.629 55.803 -0.361 0.000 0.802 432 Q CB 3.049 31.612 28.738 -0.292 0.000 1.444 432 Q HN 0.532 nan 8.270 nan 0.000 0.429 433 H N 1.287 120.240 119.070 -0.195 0.000 2.887 433 H HA 0.443 4.988 4.556 -0.017 0.000 0.300 433 H C -0.942 174.162 175.328 -0.373 0.000 1.038 433 H CA -0.220 55.665 56.048 -0.271 0.000 1.352 433 H CB 0.797 30.493 29.762 -0.109 0.000 1.473 433 H HN 0.443 nan 8.280 nan 0.000 0.503 434 I N 4.093 124.407 120.570 -0.426 0.000 2.406 434 I HA 0.252 4.412 4.170 -0.017 0.000 0.290 434 I C -0.576 175.233 176.117 -0.513 0.000 0.999 434 I CA -0.610 60.479 61.300 -0.352 0.000 1.124 434 I CB 1.154 39.001 38.000 -0.255 0.000 1.289 434 I HN 0.212 nan 8.210 nan 0.000 0.441 435 F N 3.022 122.720 119.950 -0.419 0.000 2.523 435 F HA 0.537 5.054 4.527 -0.017 0.000 0.329 435 F C 0.540 176.138 175.800 -0.337 0.000 1.061 435 F CA -0.862 56.847 58.000 -0.484 0.000 0.967 435 F CB 1.837 40.247 39.000 -0.982 0.000 1.218 435 F HN 0.253 nan 8.300 nan 0.000 0.480 436 S N 1.196 116.929 115.700 0.054 0.000 2.707 436 S HA 0.774 5.234 4.470 -0.017 0.000 0.312 436 S C -0.944 173.758 174.600 0.169 0.000 1.116 436 S CA -0.516 57.749 58.200 0.110 0.000 1.078 436 S CB 0.436 63.542 63.200 -0.156 0.000 0.997 436 S HN 0.836 nan 8.310 nan 0.000 0.477 437 A N 4.834 127.810 122.820 0.260 0.000 2.274 437 A HA 0.634 4.944 4.320 -0.017 0.000 0.309 437 A C 0.129 177.735 177.584 0.037 0.000 1.226 437 A CA -0.684 51.462 52.037 0.181 0.000 0.853 437 A CB 0.414 19.488 19.000 0.122 0.000 1.146 437 A HN 0.847 nan 8.150 nan 0.000 0.518 438 R N 3.456 123.912 120.500 -0.073 0.000 2.229 438 R HA 0.544 4.874 4.340 -0.017 0.000 0.332 438 R C -1.606 174.503 176.300 -0.318 0.000 0.989 438 R CA -0.354 55.500 56.100 -0.409 0.000 0.842 438 R CB 0.317 30.245 30.300 -0.619 0.000 1.119 438 R HN 0.714 nan 8.270 nan 0.000 0.456 439 L N 4.438 125.466 121.223 -0.325 0.000 2.324 439 L HA 0.263 4.593 4.340 -0.017 0.000 0.274 439 L C -0.488 176.261 176.870 -0.202 0.000 1.012 439 L CA -0.880 53.847 54.840 -0.187 0.000 0.859 439 L CB 1.537 43.548 42.059 -0.080 0.000 1.224 439 L HN 0.542 nan 8.230 nan 0.000 0.429 440 D N 4.957 125.252 120.400 -0.175 0.000 2.402 440 D HA 0.165 4.795 4.640 -0.017 0.000 0.235 440 D C 0.122 176.412 176.300 -0.015 0.000 1.226 440 D CA -0.264 53.686 54.000 -0.084 0.000 0.918 440 D CB 0.602 41.368 40.800 -0.057 0.000 1.043 440 D HN 0.142 nan 8.370 nan 0.000 0.506 441 M N 2.351 121.958 119.600 0.012 0.000 2.238 441 M HA 0.339 4.809 4.480 -0.017 0.000 0.347 441 M C 0.380 176.714 176.300 0.056 0.000 1.173 441 M CA -0.422 54.890 55.300 0.019 0.000 1.147 441 M CB 0.752 33.373 32.600 0.035 0.000 1.547 441 M HN 0.473 nan 8.290 nan 0.000 0.455 442 A N 4.104 126.888 122.820 -0.060 0.000 3.292 442 A HA 0.396 4.706 4.320 -0.017 0.000 0.231 442 A C -0.319 177.179 177.584 -0.143 0.000 0.952 442 A CA -0.544 51.365 52.037 -0.212 0.000 1.044 442 A CB 0.099 18.800 19.000 -0.499 0.000 1.236 442 A HN 0.614 nan 8.150 nan 0.000 0.525 443 I N 1.662 122.212 120.570 -0.033 0.000 2.691 443 I HA 0.043 4.203 4.170 -0.017 0.000 0.288 443 I C 0.404 176.582 176.117 0.103 0.000 1.143 443 I CA 0.879 62.228 61.300 0.081 0.000 1.364 443 I CB -1.028 37.060 38.000 0.147 0.000 1.435 443 I HN 0.496 nan 8.210 nan 0.000 0.551 444 D N 5.006 125.489 120.400 0.138 0.000 2.837 444 D HA -0.154 4.475 4.640 -0.017 0.000 0.230 444 D C 0.643 176.901 176.300 -0.070 0.000 1.152 444 D CA 1.649 55.661 54.000 0.020 0.000 0.736 444 D CB -0.733 40.034 40.800 -0.056 0.000 1.084 444 D HN 1.123 nan 8.370 nan 0.000 0.429 445 G N -2.109 106.592 108.800 -0.165 0.000 2.384 445 G HA2 -0.099 3.850 3.960 -0.017 0.000 0.668 445 G HA3 -0.099 3.850 3.960 -0.017 0.000 0.668 445 G C 0.211 174.932 174.900 -0.298 0.000 1.280 445 G CA -0.365 44.565 45.100 -0.282 0.000 0.992 445 G HN 0.043 nan 8.290 nan 0.000 0.512 446 F N 0.837 120.780 119.950 -0.011 0.000 2.710 446 F HA 0.225 4.742 4.527 -0.017 0.000 0.298 446 F C 2.274 178.075 175.800 0.002 0.000 1.137 446 F CA 1.136 59.124 58.000 -0.020 0.000 1.444 446 F CB 0.260 39.233 39.000 -0.045 0.000 1.111 446 F HN 0.293 nan 8.300 nan 0.000 0.580 447 T N 2.262 116.905 114.554 0.148 0.000 2.978 447 T HA 0.152 4.492 4.350 -0.017 0.000 0.278 447 T C -0.051 174.703 174.700 0.090 0.000 0.945 447 T CA -0.031 62.134 62.100 0.108 0.000 1.070 447 T CB -0.766 68.146 68.868 0.074 0.000 0.948 447 T HN 0.208 nan 8.240 nan 0.000 0.617 448 N N 2.094 120.857 118.700 0.105 0.000 2.453 448 N HA 0.764 5.494 4.740 -0.017 0.000 0.290 448 N C -0.370 175.196 175.510 0.094 0.000 1.250 448 N CA -1.351 51.757 53.050 0.096 0.000 0.815 448 N CB 2.056 40.605 38.487 0.103 0.000 1.381 448 N HN 0.490 nan 8.380 nan 0.000 0.510 449 R N -1.060 119.495 120.500 0.093 0.000 2.764 449 R HA 0.673 5.002 4.340 -0.017 0.000 0.270 449 R C -2.030 174.333 176.300 0.105 0.000 1.014 449 R CA -0.800 55.356 56.100 0.093 0.000 0.904 449 R CB 1.015 31.363 30.300 0.080 0.000 1.236 449 R HN 0.200 nan 8.270 nan 0.000 0.466 450 V N 0.952 120.934 119.914 0.113 0.000 2.604 450 V HA 0.432 4.542 4.120 -0.017 0.000 0.305 450 V C -0.592 175.589 176.094 0.145 0.000 1.043 450 V CA -0.733 61.651 62.300 0.140 0.000 0.888 450 V CB 1.809 33.722 31.823 0.151 0.000 0.995 450 V HN 0.761 nan 8.190 nan 0.000 0.429 451 E N 2.189 122.480 120.200 0.152 0.000 2.222 451 E HA 0.439 4.778 4.350 -0.017 0.000 0.267 451 E C -0.952 175.736 176.600 0.146 0.000 0.884 451 E CA -0.637 55.838 56.400 0.124 0.000 0.764 451 E CB 2.758 32.502 29.700 0.073 0.000 1.169 451 E HN 0.748 nan 8.360 nan 0.000 0.413 452 E N 2.701 122.975 120.200 0.123 0.000 2.200 452 E HA 0.092 4.432 4.350 -0.017 0.000 0.283 452 E C -1.024 175.508 176.600 -0.115 0.000 1.015 452 E CA -0.302 56.091 56.400 -0.012 0.000 0.819 452 E CB 0.968 30.728 29.700 0.099 0.000 1.081 452 E HN 0.397 nan 8.360 nan 0.000 0.397 453 E N 4.224 124.281 120.200 -0.238 0.000 2.145 453 E HA 0.196 4.536 4.350 -0.017 0.000 0.270 453 E C -1.297 175.184 176.600 -0.199 0.000 0.906 453 E CA -0.812 55.489 56.400 -0.164 0.000 0.761 453 E CB 1.001 30.622 29.700 -0.132 0.000 1.116 453 E HN 0.429 nan 8.360 nan 0.000 0.408 454 D N 2.450 122.779 120.400 -0.119 0.000 2.342 454 D HA 0.269 4.899 4.640 -0.017 0.000 0.243 454 D C -0.519 175.752 176.300 -0.047 0.000 1.019 454 D CA -0.551 53.389 54.000 -0.101 0.000 0.864 454 D CB 2.173 42.929 40.800 -0.073 0.000 1.315 454 D HN 0.154 nan 8.370 nan 0.000 0.468 455 V N 1.314 121.204 119.914 -0.040 0.000 2.811 455 V HA 0.224 4.334 4.120 -0.017 0.000 0.302 455 V C 0.177 176.279 176.094 0.013 0.000 1.063 455 V CA -0.258 62.044 62.300 0.002 0.000 1.088 455 V CB 1.454 33.253 31.823 -0.040 0.000 0.982 455 V HN 0.260 nan 8.190 nan 0.000 0.485 456 V N 5.918 125.869 119.914 0.062 0.000 2.444 456 V HA 0.452 4.562 4.120 -0.017 0.000 0.294 456 V C 0.166 176.312 176.094 0.085 0.000 1.022 456 V CA -0.812 61.520 62.300 0.054 0.000 0.850 456 V CB 1.618 33.471 31.823 0.049 0.000 0.992 456 V HN 0.809 nan 8.190 nan 0.000 0.426 457 R N 3.436 123.966 120.500 0.049 0.000 2.459 457 R HA 0.580 4.910 4.340 -0.017 0.000 0.281 457 R C -0.558 175.777 176.300 0.059 0.000 1.050 457 R CA -0.483 55.652 56.100 0.058 0.000 1.055 457 R CB 1.184 31.495 30.300 0.017 0.000 1.045 457 R HN 0.678 nan 8.270 nan 0.000 0.495 458 Q N 0.410 120.253 119.800 0.071 0.000 2.377 458 Q HA 0.312 4.641 4.340 -0.017 0.000 0.271 458 Q C -0.813 175.210 176.000 0.039 0.000 1.077 458 Q CA -0.743 55.090 55.803 0.050 0.000 0.820 458 Q CB 2.620 31.389 28.738 0.052 0.000 1.347 458 Q HN 0.458 nan 8.270 nan 0.000 0.444 459 T N 1.925 116.495 114.554 0.026 0.000 2.856 459 T HA 0.283 4.623 4.350 -0.017 0.000 0.292 459 T C -0.002 174.709 174.700 0.019 0.000 0.980 459 T CA -0.447 61.665 62.100 0.020 0.000 1.091 459 T CB 0.533 69.410 68.868 0.015 0.000 0.936 459 T HN 0.478 nan 8.240 nan 0.000 0.503 460 M N 3.094 122.705 119.600 0.018 0.000 2.238 460 M HA 0.446 4.915 4.480 -0.017 0.000 0.350 460 M C 0.500 176.807 176.300 0.011 0.000 1.321 460 M CA 0.960 56.269 55.300 0.015 0.000 1.097 460 M CB -0.465 32.144 32.600 0.014 0.000 1.713 460 M HN 0.919 nan 8.290 nan 0.000 0.455 461 G N 4.301 113.107 108.800 0.009 0.000 2.368 461 G HA2 0.183 4.132 3.960 -0.017 0.000 0.269 461 G HA3 0.183 4.132 3.960 -0.017 0.000 0.269 461 G C -3.377 171.526 174.900 0.005 0.000 1.291 461 G CA -1.157 43.946 45.100 0.006 0.000 0.903 461 G HN 0.428 nan 8.290 nan 0.000 0.483 462 P HA 0.307 nan 4.420 nan 0.000 0.261 462 P C 1.024 178.324 177.300 0.001 0.000 1.173 462 P CA 2.401 65.502 63.100 0.002 0.000 0.760 462 P CB 0.663 32.364 31.700 0.002 0.000 0.783 463 G N 2.775 111.574 108.800 -0.001 0.000 2.234 463 G HA2 -0.282 3.668 3.960 -0.017 0.000 0.260 463 G HA3 -0.282 3.668 3.960 -0.017 0.000 0.260 463 G C 0.533 175.430 174.900 -0.004 0.000 0.987 463 G CA 0.390 45.488 45.100 -0.004 0.000 0.625 463 G HN 0.668 nan 8.290 nan 0.000 0.532 464 N N 0.101 118.801 118.700 0.000 0.000 2.620 464 N HA 0.345 5.075 4.740 -0.017 0.000 0.277 464 N C 0.913 176.427 175.510 0.006 0.000 1.726 464 N CA 0.424 53.475 53.050 0.003 0.000 0.840 464 N CB 0.402 38.893 38.487 0.008 0.000 1.379 464 N HN 0.190 nan 8.380 nan 0.000 0.506 465 E N 0.025 120.227 120.200 0.004 0.000 2.209 465 E HA -0.030 4.310 4.350 -0.017 0.000 0.196 465 E C 1.120 177.724 176.600 0.007 0.000 0.993 465 E CA 1.178 57.581 56.400 0.005 0.000 0.819 465 E CB 0.129 29.831 29.700 0.003 0.000 0.745 465 E HN 0.382 nan 8.360 nan 0.000 0.477 466 R N -0.647 119.858 120.500 0.008 0.000 2.317 466 R HA 0.151 4.481 4.340 -0.017 0.000 0.208 466 R C 0.717 177.027 176.300 0.017 0.000 0.914 466 R CA 0.468 56.575 56.100 0.011 0.000 1.060 466 R CB 0.375 30.681 30.300 0.010 0.000 1.015 466 R HN 0.216 nan 8.270 nan 0.000 0.498 467 G N 2.342 111.154 108.800 0.019 0.000 2.305 467 G HA2 -0.350 3.599 3.960 -0.017 0.000 0.287 467 G HA3 -0.350 3.599 3.960 -0.017 0.000 0.287 467 G C 0.232 175.158 174.900 0.043 0.000 1.036 467 G CA 0.959 46.076 45.100 0.028 0.000 0.887 467 G HN 0.692 nan 8.290 nan 0.000 0.505 468 N N -1.110 117.617 118.700 0.045 0.000 2.294 468 N HA 0.520 5.250 4.740 -0.017 0.000 0.186 468 N C 1.201 176.770 175.510 0.099 0.000 1.107 468 N CA 0.565 53.657 53.050 0.072 0.000 0.884 468 N CB 0.415 38.932 38.487 0.049 0.000 1.030 468 N HN 0.813 nan 8.380 nan 0.000 0.482 469 A N 0.767 123.619 122.820 0.054 0.000 2.462 469 A HA 0.438 4.747 4.320 -0.017 0.000 0.243 469 A C -0.554 177.108 177.584 0.130 0.000 1.076 469 A CA -0.209 51.840 52.037 0.019 0.000 0.773 469 A CB -0.332 18.662 19.000 -0.011 0.000 1.010 469 A HN 0.498 nan 8.150 nan 0.000 0.493 470 F N 0.465 120.411 119.950 -0.007 0.000 2.619 470 F HA 0.808 5.326 4.527 -0.015 0.000 0.308 470 F C -0.268 175.527 175.800 -0.009 0.000 1.097 470 F CA -0.505 57.490 58.000 -0.008 0.000 0.953 470 F CB 1.044 40.038 39.000 -0.009 0.000 1.287 470 F HN 0.579 nan 8.300 nan 0.000 0.446 471 S N 1.205 117.037 115.700 0.219 0.000 3.132 471 S HA 0.887 5.347 4.470 -0.017 0.000 0.322 471 S C -1.406 173.282 174.600 0.146 0.000 1.124 471 S CA -0.767 57.489 58.200 0.094 0.000 0.906 471 S CB 1.463 64.682 63.200 0.031 0.000 1.349 471 S HN 1.104 nan 8.310 nan 0.000 0.686 472 R N 0.357 120.898 120.500 0.068 0.000 2.692 472 R HA 0.646 4.976 4.340 -0.017 0.000 0.269 472 R C -1.983 174.328 176.300 0.019 0.000 1.030 472 R CA -1.034 55.095 56.100 0.048 0.000 0.882 472 R CB 1.155 31.482 30.300 0.045 0.000 1.250 472 R HN 0.671 nan 8.270 nan 0.000 0.465 473 K N 1.409 121.812 120.400 0.004 0.000 2.469 473 K HA 0.595 4.905 4.320 -0.017 0.000 0.254 473 K C -1.175 175.418 176.600 -0.011 0.000 0.939 473 K CA -1.183 55.104 56.287 -0.000 0.000 0.812 473 K CB 2.763 35.264 32.500 0.002 0.000 1.301 473 K HN 0.620 nan 8.250 nan 0.000 0.433 474 R N 1.037 121.536 120.500 -0.002 0.000 2.561 474 R HA 0.375 4.704 4.340 -0.017 0.000 0.297 474 R C -1.154 175.155 176.300 0.016 0.000 0.969 474 R CA -0.900 55.201 56.100 0.001 0.000 0.879 474 R CB 2.537 32.841 30.300 0.007 0.000 1.178 474 R HN 0.657 nan 8.270 nan 0.000 0.445 475 T N 2.378 116.947 114.554 0.026 0.000 2.791 475 T HA 0.215 4.555 4.350 -0.017 0.000 0.288 475 T C 0.019 174.757 174.700 0.063 0.000 0.999 475 T CA -0.589 61.535 62.100 0.041 0.000 0.952 475 T CB 1.435 70.329 68.868 0.042 0.000 0.938 475 T HN 0.145 nan 8.240 nan 0.000 0.444 476 V N 5.152 125.100 119.914 0.057 0.000 2.572 476 V HA 0.171 4.281 4.120 -0.017 0.000 0.291 476 V C 0.435 176.574 176.094 0.074 0.000 1.039 476 V CA -0.382 61.959 62.300 0.068 0.000 1.055 476 V CB 0.399 32.256 31.823 0.056 0.000 0.969 476 V HN 0.723 nan 8.190 nan 0.000 0.482 477 L N 5.694 126.971 121.223 0.090 0.000 2.295 477 L HA 0.233 4.562 4.340 -0.017 0.000 0.288 477 L C 1.547 178.462 176.870 0.075 0.000 1.079 477 L CA -0.120 54.772 54.840 0.086 0.000 0.830 477 L CB 0.882 43.003 42.059 0.104 0.000 1.200 477 L HN 0.924 nan 8.230 nan 0.000 0.438 478 T N -0.053 114.539 114.554 0.062 0.000 3.009 478 T HA 0.133 4.472 4.350 -0.017 0.000 0.258 478 T C 0.960 175.695 174.700 0.058 0.000 1.063 478 T CA 0.237 62.371 62.100 0.057 0.000 1.139 478 T CB 0.271 69.167 68.868 0.047 0.000 0.890 478 T HN 0.457 nan 8.240 nan 0.000 0.471 479 R N 0.242 120.776 120.500 0.057 0.000 2.771 479 R HA 0.412 4.742 4.340 -0.017 0.000 0.274 479 R C 0.326 176.665 176.300 0.064 0.000 0.987 479 R CA -0.680 55.454 56.100 0.058 0.000 0.908 479 R CB 1.604 31.932 30.300 0.046 0.000 1.213 479 R HN 0.122 nan 8.270 nan 0.000 0.468 480 E N 0.513 120.758 120.200 0.075 0.000 2.219 480 E HA -0.212 4.128 4.350 -0.017 0.000 0.198 480 E C 1.424 178.066 176.600 0.070 0.000 0.998 480 E CA 1.982 58.435 56.400 0.090 0.000 0.818 480 E CB 0.073 29.837 29.700 0.107 0.000 0.741 480 E HN 0.592 nan 8.360 nan 0.000 0.477 481 S N 0.993 116.723 115.700 0.051 0.000 2.474 481 S HA -0.158 4.301 4.470 -0.017 0.000 0.235 481 S C 1.502 176.110 174.600 0.014 0.000 0.997 481 S CA 1.144 59.364 58.200 0.033 0.000 0.949 481 S CB -0.209 63.008 63.200 0.028 0.000 0.766 481 S HN 0.458 nan 8.310 nan 0.000 0.517 482 E N 0.130 120.342 120.200 0.021 0.000 2.624 482 E HA 0.529 4.869 4.350 -0.017 0.000 0.210 482 E C 0.731 177.338 176.600 0.011 0.000 0.997 482 E CA 0.136 56.543 56.400 0.012 0.000 0.999 482 E CB 0.464 30.180 29.700 0.026 0.000 1.040 482 E HN 0.473 nan 8.360 nan 0.000 0.469 483 A N 0.933 123.759 122.820 0.009 0.000 2.500 483 A HA 0.320 4.630 4.320 -0.017 0.000 0.267 483 A C 0.227 177.761 177.584 -0.084 0.000 1.290 483 A CA -0.203 51.840 52.037 0.010 0.000 0.928 483 A CB 0.303 19.348 19.000 0.074 0.000 1.066 483 A HN 0.109 nan 8.150 nan 0.000 0.516 484 V N 2.712 122.508 119.914 -0.197 0.000 2.313 484 V HA 0.427 4.537 4.120 -0.017 0.000 0.278 484 V C -0.466 175.410 176.094 -0.364 0.000 1.017 484 V CA -0.758 61.239 62.300 -0.505 0.000 0.823 484 V CB 0.615 32.009 31.823 -0.715 0.000 1.010 484 V HN 0.455 nan 8.190 nan 0.000 0.443 485 R N 3.364 123.661 120.500 -0.339 0.000 2.832 485 R HA 0.672 5.002 4.340 -0.017 0.000 0.271 485 R C -0.205 176.043 176.300 -0.087 0.000 0.996 485 R CA -0.744 55.284 56.100 -0.119 0.000 0.977 485 R CB 2.175 32.508 30.300 0.054 0.000 1.168 485 R HN 0.896 nan 8.270 nan 0.000 0.482 486 E N 0.323 120.576 120.200 0.089 0.000 2.249 486 E HA 0.719 5.059 4.350 -0.017 0.000 0.263 486 E C -0.808 175.993 176.600 0.336 0.000 0.950 486 E CA -1.120 55.361 56.400 0.136 0.000 0.827 486 E CB 1.645 31.388 29.700 0.071 0.000 1.220 486 E HN 0.538 nan 8.360 nan 0.000 0.411 487 A N 1.108 124.123 122.820 0.324 0.000 2.346 487 A HA 0.285 4.595 4.320 -0.017 0.000 0.252 487 A C -0.334 177.356 177.584 0.176 0.000 1.089 487 A CA -0.144 52.107 52.037 0.357 0.000 0.797 487 A CB 0.397 19.589 19.000 0.321 0.000 1.047 487 A HN 0.696 nan 8.150 nan 0.000 0.494 488 D N 0.069 120.524 120.400 0.092 0.000 2.527 488 D HA 0.423 5.052 4.640 -0.017 0.000 0.242 488 D C 0.666 176.970 176.300 0.006 0.000 1.285 488 D CA 0.284 54.305 54.000 0.035 0.000 0.886 488 D CB 0.692 41.495 40.800 0.004 0.000 1.402 488 D HN 0.467 nan 8.370 nan 0.000 0.528 489 A N 2.856 125.698 122.820 0.036 0.000 1.933 489 A HA -0.156 4.154 4.320 -0.017 0.000 0.218 489 A C 2.069 179.652 177.584 -0.002 0.000 1.175 489 A CA 1.363 53.416 52.037 0.027 0.000 0.628 489 A CB -0.217 18.814 19.000 0.052 0.000 0.814 489 A HN 0.490 nan 8.150 nan 0.000 0.444 490 R N -0.126 120.372 120.500 -0.003 0.000 2.105 490 R HA -0.134 4.196 4.340 -0.017 0.000 0.239 490 R C 1.553 177.831 176.300 -0.036 0.000 1.135 490 R CA 1.952 58.042 56.100 -0.017 0.000 0.967 490 R CB -0.340 29.954 30.300 -0.010 0.000 0.861 490 R HN 0.604 nan 8.270 nan 0.000 0.442 491 T N -3.445 111.085 114.554 -0.040 0.000 3.223 491 T HA 0.254 4.593 4.350 -0.017 0.000 0.259 491 T C 0.821 175.477 174.700 -0.073 0.000 1.015 491 T CA 0.126 62.192 62.100 -0.056 0.000 0.908 491 T CB 0.755 69.594 68.868 -0.049 0.000 1.054 491 T HN 0.360 nan 8.240 nan 0.000 0.567 492 G N 2.408 111.168 108.800 -0.067 0.000 2.341 492 G HA2 -0.348 3.601 3.960 -0.017 0.000 0.292 492 G HA3 -0.348 3.601 3.960 -0.017 0.000 0.292 492 G C 0.055 174.877 174.900 -0.130 0.000 1.021 492 G CA 0.246 45.305 45.100 -0.069 0.000 0.905 492 G HN 0.907 nan 8.290 nan 0.000 0.508 493 R N 0.524 120.909 120.500 -0.190 0.000 2.522 493 R HA 0.426 4.756 4.340 -0.017 0.000 0.284 493 R C 0.886 176.816 176.300 -0.617 0.000 1.032 493 R CA 1.002 56.868 56.100 -0.390 0.000 1.049 493 R CB 0.234 30.293 30.300 -0.401 0.000 0.956 493 R HN 0.483 nan 8.270 nan 0.000 0.422 494 T N 0.648 114.745 114.554 -0.761 0.000 2.838 494 T HA 0.534 4.874 4.350 -0.017 0.000 0.292 494 T C -1.087 173.072 174.700 -0.902 0.000 1.113 494 T CA -0.959 60.686 62.100 -0.757 0.000 1.008 494 T CB 1.242 69.846 68.868 -0.441 0.000 1.259 494 T HN 0.560 nan 8.240 nan 0.000 0.520 495 W N 0.621 121.868 121.300 -0.088 0.000 2.781 495 W HA 0.601 5.251 4.660 -0.017 0.000 0.333 495 W C -1.185 175.313 176.519 -0.036 0.000 1.047 495 W CA -1.169 56.151 57.345 -0.042 0.000 1.236 495 W CB 1.636 31.080 29.460 -0.026 0.000 1.394 495 W HN 0.589 nan 8.180 nan 0.000 0.466 496 I N 4.283 124.942 120.570 0.148 0.000 2.377 496 I HA 0.313 4.472 4.170 -0.017 0.000 0.293 496 I C -0.350 175.853 176.117 0.144 0.000 0.987 496 I CA -0.975 60.392 61.300 0.112 0.000 1.185 496 I CB 1.424 39.459 38.000 0.058 0.000 1.341 496 I HN 0.083 nan 8.210 nan 0.000 0.455 497 I N 6.042 126.704 120.570 0.153 0.000 2.330 497 I HA 0.302 4.462 4.170 -0.017 0.000 0.289 497 I C 0.310 176.515 176.117 0.147 0.000 1.001 497 I CA 0.255 61.641 61.300 0.143 0.000 1.193 497 I CB 1.294 39.373 38.000 0.131 0.000 1.345 497 I HN 0.588 nan 8.210 nan 0.000 0.461 498 S N 3.989 119.762 115.700 0.122 0.000 2.709 498 S HA 0.597 5.056 4.470 -0.017 0.000 0.302 498 S C -0.691 173.967 174.600 0.096 0.000 1.127 498 S CA -0.911 57.359 58.200 0.117 0.000 0.905 498 S CB 1.947 65.201 63.200 0.090 0.000 1.151 498 S HN 0.506 nan 8.310 nan 0.000 0.510 499 N N 1.767 120.516 118.700 0.081 0.000 2.564 499 N HA 0.373 5.103 4.740 -0.017 0.000 0.248 499 N C -2.012 173.519 175.510 0.035 0.000 0.986 499 N CA -2.327 50.756 53.050 0.055 0.000 0.921 499 N CB 1.545 40.056 38.487 0.040 0.000 1.136 499 N HN 0.380 nan 8.380 nan 0.000 0.509 500 P HA -0.072 nan 4.420 nan 0.000 0.228 500 P C 0.024 177.333 177.300 0.015 0.000 1.151 500 P CA 1.154 64.271 63.100 0.028 0.000 0.770 500 P CB 0.525 32.245 31.700 0.035 0.000 0.786 501 E N -1.042 119.165 120.200 0.012 0.000 2.498 501 E HA 0.144 4.483 4.350 -0.017 0.000 0.203 501 E C 0.154 176.744 176.600 -0.015 0.000 1.013 501 E CA -0.083 56.318 56.400 0.002 0.000 0.927 501 E CB 0.456 30.162 29.700 0.009 0.000 1.012 501 E HN -0.015 nan 8.360 nan 0.000 0.482 502 S N 1.244 116.929 115.700 -0.026 0.000 2.707 502 S HA 0.317 4.776 4.470 -0.017 0.000 0.312 502 S C -0.960 173.598 174.600 -0.070 0.000 1.116 502 S CA -0.704 57.461 58.200 -0.059 0.000 1.078 502 S CB 0.391 63.541 63.200 -0.082 0.000 0.997 502 S HN -0.029 nan 8.310 nan 0.000 0.477 503 K N 3.034 123.393 120.400 -0.069 0.000 2.203 503 K HA 0.410 4.719 4.320 -0.017 0.000 0.251 503 K C -0.006 176.541 176.600 -0.087 0.000 0.944 503 K CA -1.025 55.223 56.287 -0.065 0.000 0.829 503 K CB 1.026 33.503 32.500 -0.039 0.000 1.125 503 K HN 0.743 nan 8.250 nan 0.000 0.430 504 N N 0.819 119.468 118.700 -0.084 0.000 2.322 504 N HA -0.008 4.721 4.740 -0.017 0.000 0.270 504 N C 0.760 176.239 175.510 -0.052 0.000 1.286 504 N CA -0.350 52.648 53.050 -0.085 0.000 0.948 504 N CB 0.286 38.730 38.487 -0.071 0.000 1.164 504 N HN 0.589 nan 8.380 nan 0.000 0.551 505 R N -0.771 119.705 120.500 -0.039 0.000 2.241 505 R HA 0.008 4.338 4.340 -0.017 0.000 0.224 505 R C 0.575 176.863 176.300 -0.020 0.000 1.101 505 R CA 1.129 57.213 56.100 -0.026 0.000 0.995 505 R CB -0.717 29.573 30.300 -0.017 0.000 0.870 505 R HN 0.572 nan 8.270 nan 0.000 0.463 506 L N 1.265 122.476 121.223 -0.019 0.000 2.685 506 L HA 0.153 4.482 4.340 -0.017 0.000 0.233 506 L C 0.269 177.129 176.870 -0.015 0.000 1.173 506 L CA -0.122 54.709 54.840 -0.015 0.000 0.961 506 L CB -0.628 41.424 42.059 -0.011 0.000 1.217 506 L HN 0.430 nan 8.230 nan 0.000 0.478 507 N N 1.547 120.235 118.700 -0.020 0.000 2.754 507 N HA -0.162 4.567 4.740 -0.017 0.000 0.248 507 N C -0.429 175.071 175.510 -0.016 0.000 1.093 507 N CA 0.283 53.322 53.050 -0.019 0.000 0.699 507 N CB -0.036 38.443 38.487 -0.014 0.000 1.016 507 N HN 0.383 nan 8.380 nan 0.000 0.552 508 E N 0.264 120.453 120.200 -0.019 0.000 2.199 508 E HA 0.401 4.741 4.350 -0.017 0.000 0.269 508 E C -2.521 174.069 176.600 -0.017 0.000 0.899 508 E CA -1.727 54.666 56.400 -0.012 0.000 0.772 508 E CB 1.657 31.353 29.700 -0.008 0.000 1.155 508 E HN 0.134 nan 8.360 nan 0.000 0.408 509 P HA -0.065 nan 4.420 nan 0.000 0.263 509 P C -0.020 177.282 177.300 0.004 0.000 1.195 509 P CA -0.038 63.060 63.100 -0.002 0.000 0.762 509 P CB 0.344 32.055 31.700 0.018 0.000 0.799 510 V N 2.050 121.952 119.914 -0.020 0.000 2.872 510 V HA 0.684 4.793 4.120 -0.017 0.000 0.307 510 V C 0.604 176.783 176.094 0.142 0.000 1.072 510 V CA 0.309 62.608 62.300 -0.001 0.000 1.148 510 V CB 0.203 31.912 31.823 -0.190 0.000 0.954 510 V HN 0.726 nan 8.190 nan 0.000 0.490 511 G N 2.253 111.192 108.800 0.231 0.000 2.645 511 G HA2 0.613 4.563 3.960 -0.017 0.000 0.292 511 G HA3 0.613 4.563 3.960 -0.017 0.000 0.292 511 G C -2.302 172.740 174.900 0.236 0.000 1.415 511 G CA -0.750 44.495 45.100 0.241 0.000 0.785 511 G HN 0.751 nan 8.290 nan 0.000 0.483 512 Y N -0.164 120.167 120.300 0.051 0.000 2.457 512 Y HA 0.606 5.146 4.550 -0.016 0.000 0.343 512 Y C 0.039 175.965 175.900 0.044 0.000 0.994 512 Y CA -0.815 57.296 58.100 0.019 0.000 1.031 512 Y CB 2.800 41.240 38.460 -0.032 0.000 1.246 512 Y HN 0.504 nan 8.280 nan 0.000 0.449 513 K N 4.073 124.527 120.400 0.091 0.000 2.235 513 K HA 0.523 4.833 4.320 -0.017 0.000 0.266 513 K C -1.632 174.982 176.600 0.023 0.000 0.980 513 K CA -0.860 55.436 56.287 0.014 0.000 0.849 513 K CB 0.960 33.403 32.500 -0.096 0.000 1.098 513 K HN 0.622 nan 8.250 nan 0.000 0.445 514 L N 5.075 126.317 121.223 0.032 0.000 2.265 514 L HA 0.283 4.613 4.340 -0.017 0.000 0.288 514 L C -1.350 175.498 176.870 -0.037 0.000 1.058 514 L CA 0.122 55.019 54.840 0.095 0.000 0.809 514 L CB 0.437 42.579 42.059 0.139 0.000 1.179 514 L HN 0.655 nan 8.230 nan 0.000 0.429 515 H N 4.533 123.714 119.070 0.185 0.000 2.581 515 H HA 0.704 5.249 4.556 -0.018 0.000 0.308 515 H C -0.057 175.412 175.328 0.235 0.000 1.040 515 H CA -0.018 56.132 56.048 0.170 0.000 1.231 515 H CB 1.288 31.138 29.762 0.146 0.000 1.396 515 H HN 0.897 nan 8.280 nan 0.000 0.467 516 A N 2.279 125.300 122.820 0.335 0.000 2.264 516 A HA 0.209 4.518 4.320 -0.017 0.000 0.304 516 A C 0.392 178.275 177.584 0.498 0.000 1.100 516 A CA -0.554 51.725 52.037 0.403 0.000 0.839 516 A CB 0.511 19.790 19.000 0.465 0.000 1.121 516 A HN 1.015 nan 8.150 nan 0.000 0.496 517 H N 0.687 119.949 119.070 0.320 0.000 2.548 517 H HA -0.003 4.542 4.556 -0.017 0.000 0.268 517 H C -0.126 175.327 175.328 0.208 0.000 0.975 517 H CA 0.279 56.463 56.048 0.226 0.000 1.195 517 H CB 0.177 30.065 29.762 0.209 0.000 1.397 517 H HN 0.755 nan 8.280 nan 0.000 0.572 518 N N 1.935 120.863 118.700 0.380 0.000 2.735 518 N HA -0.161 4.569 4.740 -0.017 0.000 0.248 518 N C -0.608 175.038 175.510 0.226 0.000 1.083 518 N CA 0.526 53.746 53.050 0.284 0.000 0.703 518 N CB -0.897 37.716 38.487 0.210 0.000 1.005 518 N HN 0.503 nan 8.380 nan 0.000 0.550 519 Q N -0.092 119.857 119.800 0.249 0.000 2.382 519 Q HA 0.371 4.700 4.340 -0.017 0.000 0.229 519 Q C -1.822 174.261 176.000 0.138 0.000 1.006 519 Q CA -1.087 54.825 55.803 0.183 0.000 0.916 519 Q CB 0.141 29.000 28.738 0.202 0.000 1.235 519 Q HN 0.131 nan 8.270 nan 0.000 0.512 520 P HA -0.008 nan 4.420 nan 0.000 0.266 520 P C -0.171 177.151 177.300 0.037 0.000 1.195 520 P CA 0.262 63.395 63.100 0.056 0.000 0.768 520 P CB 0.468 32.184 31.700 0.028 0.000 0.838 521 T N 0.443 115.014 114.554 0.028 0.000 2.924 521 T HA 0.288 4.628 4.350 -0.017 0.000 0.301 521 T C 0.317 174.984 174.700 -0.056 0.000 1.120 521 T CA -0.857 61.241 62.100 -0.004 0.000 0.940 521 T CB 0.001 68.879 68.868 0.016 0.000 1.591 521 T HN 0.171 nan 8.240 nan 0.000 0.578 522 L N 1.090 122.254 121.223 -0.098 0.000 2.584 522 L HA 0.159 4.489 4.340 -0.017 0.000 0.272 522 L C 0.865 177.689 176.870 -0.077 0.000 1.195 522 L CA 0.257 55.022 54.840 -0.125 0.000 0.920 522 L CB -0.435 41.520 42.059 -0.173 0.000 1.173 522 L HN 0.623 nan 8.230 nan 0.000 0.489 523 L N 4.984 126.161 121.223 -0.075 0.000 2.375 523 L HA 0.198 4.527 4.340 -0.017 0.000 0.215 523 L C 1.431 178.287 176.870 -0.024 0.000 1.108 523 L CA 0.229 55.046 54.840 -0.038 0.000 0.830 523 L CB -0.510 41.530 42.059 -0.031 0.000 0.959 523 L HN 0.832 nan 8.230 nan 0.000 0.457 524 A N 0.637 123.434 122.820 -0.038 0.000 2.547 524 A HA -0.104 4.206 4.320 -0.017 0.000 0.233 524 A C 0.297 177.877 177.584 -0.007 0.000 1.067 524 A CA -0.084 51.943 52.037 -0.017 0.000 0.763 524 A CB -0.064 18.923 19.000 -0.022 0.000 1.007 524 A HN 0.272 nan 8.150 nan 0.000 0.506 525 D N 2.242 122.646 120.400 0.008 0.000 2.488 525 D HA 0.013 4.643 4.640 -0.017 0.000 0.238 525 D C -1.131 175.172 176.300 0.004 0.000 1.138 525 D CA -0.836 53.169 54.000 0.010 0.000 0.873 525 D CB 0.861 41.672 40.800 0.018 0.000 1.183 525 D HN 0.288 nan 8.370 nan 0.000 0.458 526 P HA -0.095 nan 4.420 nan 0.000 0.221 526 P C 0.970 178.269 177.300 -0.003 0.000 1.145 526 P CA 0.824 63.922 63.100 -0.003 0.000 0.795 526 P CB 0.118 31.816 31.700 -0.002 0.000 0.775 527 G N -0.166 108.635 108.800 0.002 0.000 3.141 527 G HA2 0.068 4.018 3.960 -0.017 0.000 0.218 527 G HA3 0.068 4.018 3.960 -0.017 0.000 0.218 527 G C 0.577 175.481 174.900 0.008 0.000 1.170 527 G CA 0.061 45.162 45.100 0.001 0.000 0.769 527 G HN 0.428 nan 8.290 nan 0.000 0.546 528 S N -0.767 114.943 115.700 0.016 0.000 2.632 528 S HA 0.357 4.816 4.470 -0.017 0.000 0.267 528 S C 1.575 176.185 174.600 0.017 0.000 1.276 528 S CA 0.402 58.626 58.200 0.039 0.000 0.998 528 S CB 1.696 64.929 63.200 0.055 0.000 0.953 528 S HN 0.067 nan 8.310 nan 0.000 0.547 529 S N 0.365 116.083 115.700 0.030 0.000 2.368 529 S HA -0.140 4.319 4.470 -0.017 0.000 0.225 529 S C 1.675 176.256 174.600 -0.033 0.000 1.030 529 S CA 1.189 59.343 58.200 -0.076 0.000 0.999 529 S CB -0.813 62.221 63.200 -0.277 0.000 0.844 529 S HN 0.694 nan 8.310 nan 0.000 0.459 530 I N 1.989 122.590 120.570 0.051 0.000 2.315 530 I HA 0.042 4.202 4.170 -0.017 0.000 0.248 530 I C 2.341 178.468 176.117 0.016 0.000 1.117 530 I CA 1.264 62.606 61.300 0.070 0.000 1.404 530 I CB -0.920 37.121 38.000 0.068 0.000 1.071 530 I HN 0.327 nan 8.210 nan 0.000 0.419 531 A N 0.375 123.190 122.820 -0.009 0.000 1.933 531 A HA -0.189 4.120 4.320 -0.017 0.000 0.218 531 A C 2.453 180.019 177.584 -0.030 0.000 1.175 531 A CA 1.613 53.631 52.037 -0.032 0.000 0.628 531 A CB -0.553 18.434 19.000 -0.022 0.000 0.814 531 A HN 0.461 nan 8.150 nan 0.000 0.444 532 R N -0.916 119.565 120.500 -0.033 0.000 2.075 532 R HA 0.024 4.353 4.340 -0.017 0.000 0.226 532 R C 2.390 178.655 176.300 -0.058 0.000 1.114 532 R CA 1.200 57.267 56.100 -0.054 0.000 0.972 532 R CB -0.240 30.012 30.300 -0.080 0.000 0.869 532 R HN 0.453 nan 8.270 nan 0.000 0.437 533 R N 0.312 120.792 120.500 -0.033 0.000 2.115 533 R HA 0.044 4.373 4.340 -0.017 0.000 0.226 533 R C 1.033 177.426 176.300 0.156 0.000 1.100 533 R CA 1.161 57.254 56.100 -0.012 0.000 0.980 533 R CB 0.141 30.437 30.300 -0.006 0.000 0.875 533 R HN 0.073 nan 8.270 nan 0.000 0.445 534 A N 0.299 123.226 122.820 0.180 0.000 2.965 534 A HA 0.490 4.800 4.320 -0.017 0.000 0.304 534 A C 1.261 178.721 177.584 -0.206 0.000 1.214 534 A CA -0.010 52.090 52.037 0.105 0.000 0.977 534 A CB 0.182 19.142 19.000 -0.068 0.000 1.127 534 A HN 0.259 nan 8.150 nan 0.000 0.572 535 A N 0.411 123.198 122.820 -0.054 0.000 1.948 535 A HA -0.093 4.217 4.320 -0.017 0.000 0.220 535 A C 1.812 179.387 177.584 -0.014 0.000 1.177 535 A CA 1.877 53.892 52.037 -0.037 0.000 0.636 535 A CB -0.960 18.033 19.000 -0.012 0.000 0.815 535 A HN 1.339 nan 8.150 nan 0.000 0.449 536 F N -0.175 119.663 119.950 -0.187 0.000 2.202 536 F HA 0.011 4.527 4.527 -0.017 0.000 0.301 536 F C 2.054 177.941 175.800 0.145 0.000 1.082 536 F CA 0.834 58.650 58.000 -0.306 0.000 1.313 536 F CB -0.964 37.730 39.000 -0.510 0.000 1.024 536 F HN 0.150 nan 8.300 nan 0.000 0.495 537 A N 0.448 122.616 122.820 -1.086 0.000 2.209 537 A HA -0.019 4.291 4.320 -0.017 0.000 0.212 537 A C 2.084 179.534 177.584 -0.222 0.000 1.158 537 A CA 1.351 52.952 52.037 -0.727 0.000 0.742 537 A CB -1.501 16.901 19.000 -0.997 0.000 0.790 537 A HN 0.591 nan 8.150 nan 0.000 0.472 538 T N -3.753 110.762 114.554 -0.065 0.000 3.100 538 T HA 0.210 4.549 4.350 -0.017 0.000 0.253 538 T C 0.559 175.283 174.700 0.041 0.000 1.118 538 T CA 0.160 62.260 62.100 -0.001 0.000 1.058 538 T CB 0.120 68.998 68.868 0.017 0.000 0.953 538 T HN 0.085 nan 8.240 nan 0.000 0.515 539 K N 1.030 121.505 120.400 0.126 0.000 2.426 539 K HA 0.404 4.714 4.320 -0.017 0.000 0.251 539 K C -0.475 176.182 176.600 0.095 0.000 0.941 539 K CA -0.519 55.759 56.287 -0.015 0.000 0.808 539 K CB 2.141 34.385 32.500 -0.426 0.000 1.265 539 K HN -0.048 nan 8.250 nan 0.000 0.432 540 D N 0.323 120.739 120.400 0.027 0.000 2.183 540 D HA -0.020 4.610 4.640 -0.017 0.000 0.203 540 D C 0.008 176.353 176.300 0.075 0.000 0.969 540 D CA 0.823 54.889 54.000 0.110 0.000 0.842 540 D CB 0.303 41.206 40.800 0.171 0.000 0.957 540 D HN 0.122 nan 8.370 nan 0.000 0.484 541 L N -0.504 120.601 121.223 -0.196 0.000 2.455 541 L HA 0.475 4.804 4.340 -0.017 0.000 0.264 541 L C -2.014 174.722 176.870 -0.222 0.000 0.968 541 L CA -0.623 54.077 54.840 -0.234 0.000 0.827 541 L CB 1.582 43.070 42.059 -0.951 0.000 1.317 541 L HN -0.127 nan 8.230 nan 0.000 0.407 542 W N 3.947 125.244 121.300 -0.004 0.000 2.915 542 W HA 0.772 5.421 4.660 -0.017 0.000 0.337 542 W C -1.251 175.379 176.519 0.186 0.000 1.102 542 W CA -0.804 56.573 57.345 0.054 0.000 1.224 542 W CB 2.040 31.508 29.460 0.014 0.000 1.416 542 W HN 0.181 nan 8.180 nan 0.000 0.503 543 V N 2.462 122.594 119.914 0.365 0.000 2.531 543 V HA 0.750 4.860 4.120 -0.017 0.000 0.301 543 V C -0.098 176.199 176.094 0.338 0.000 1.034 543 V CA -0.824 61.678 62.300 0.337 0.000 0.865 543 V CB 1.473 33.405 31.823 0.182 0.000 0.995 543 V HN 0.592 nan 8.190 nan 0.000 0.424 544 T N 1.419 116.216 114.554 0.406 0.000 2.916 544 T HA 0.755 5.095 4.350 -0.017 0.000 0.292 544 T C -0.503 174.335 174.700 0.230 0.000 1.064 544 T CA -0.975 61.317 62.100 0.319 0.000 1.011 544 T CB 2.133 71.244 68.868 0.406 0.000 1.152 544 T HN 0.527 nan 8.240 nan 0.000 0.510 545 R N 0.815 121.407 120.500 0.153 0.000 2.340 545 R HA 0.350 4.679 4.340 -0.017 0.000 0.300 545 R C -0.818 175.533 176.300 0.085 0.000 1.069 545 R CA -0.902 55.266 56.100 0.113 0.000 0.984 545 R CB -0.523 29.820 30.300 0.072 0.000 1.003 545 R HN 0.776 nan 8.270 nan 0.000 0.459 546 Y N 3.203 123.500 120.300 -0.005 0.000 2.702 546 Y HA 0.273 4.813 4.550 -0.017 0.000 0.336 546 Y C -0.737 175.111 175.900 -0.086 0.000 1.235 546 Y CA 0.974 59.039 58.100 -0.059 0.000 1.492 546 Y CB 0.462 38.849 38.460 -0.122 0.000 1.308 546 Y HN 0.751 nan 8.280 nan 0.000 0.589 547 A N 4.708 126.785 122.820 -1.237 0.000 2.488 547 A HA 0.282 4.591 4.320 -0.017 0.000 0.295 547 A C -0.067 176.867 177.584 -1.084 0.000 1.045 547 A CA -0.325 51.154 52.037 -0.930 0.000 0.703 547 A CB 0.586 19.291 19.000 -0.490 0.000 1.271 547 A HN 0.820 nan 8.150 nan 0.000 0.400 548 D N 1.295 121.270 120.400 -0.708 0.000 2.351 548 D HA -0.143 4.487 4.640 -0.017 0.000 0.216 548 D C 0.495 176.627 176.300 -0.280 0.000 0.968 548 D CA 1.493 55.272 54.000 -0.369 0.000 0.899 548 D CB 0.082 40.830 40.800 -0.087 0.000 0.907 548 D HN 0.532 nan 8.370 nan 0.000 0.514 549 D N -0.216 119.999 120.400 -0.309 0.000 2.402 549 D HA -0.009 4.620 4.640 -0.017 0.000 0.216 549 D C -0.275 175.825 176.300 -0.334 0.000 1.128 549 D CA -0.251 53.602 54.000 -0.245 0.000 0.833 549 D CB -0.517 40.182 40.800 -0.168 0.000 0.971 549 D HN 0.231 nan 8.370 nan 0.000 0.503 550 E N 0.817 120.737 120.200 -0.466 0.000 2.400 550 E HA 0.328 4.668 4.350 -0.017 0.000 0.232 550 E C 0.467 176.930 176.600 -0.229 0.000 0.988 550 E CA -0.272 55.756 56.400 -0.621 0.000 0.823 550 E CB 1.149 30.268 29.700 -0.969 0.000 1.246 550 E HN 0.118 nan 8.360 nan 0.000 0.441 551 R N 0.975 121.313 120.500 -0.269 0.000 2.195 551 R HA 0.130 4.459 4.340 -0.017 0.000 0.197 551 R C -0.075 175.940 176.300 -0.475 0.000 0.990 551 R CA 0.576 56.362 56.100 -0.523 0.000 1.048 551 R CB 0.506 30.151 30.300 -1.093 0.000 0.997 551 R HN 0.266 nan 8.270 nan 0.000 0.502 552 Y N 0.174 120.609 120.300 0.224 0.000 2.499 552 Y HA 0.304 4.844 4.550 -0.017 0.000 0.347 552 Y C -1.819 174.058 175.900 -0.038 0.000 0.987 552 Y CA -3.180 54.998 58.100 0.130 0.000 1.044 552 Y CB 1.245 39.671 38.460 -0.056 0.000 1.245 552 Y HN -0.190 nan 8.280 nan 0.000 0.461 553 P HA -0.095 nan 4.420 nan 0.000 0.226 553 P C 0.654 177.679 177.300 -0.458 0.000 1.153 553 P CA 1.498 64.236 63.100 -0.602 0.000 0.777 553 P CB 0.148 31.380 31.700 -0.780 0.000 0.794 554 T N -4.788 109.615 114.554 -0.252 0.000 3.085 554 T HA 0.507 4.847 4.350 -0.017 0.000 0.264 554 T C 0.896 175.523 174.700 -0.121 0.000 1.019 554 T CA 0.092 62.094 62.100 -0.164 0.000 0.910 554 T CB -0.090 68.699 68.868 -0.130 0.000 1.059 554 T HN 0.337 nan 8.240 nan 0.000 0.542 555 G N 1.441 110.209 108.800 -0.053 0.000 2.756 555 G HA2 -0.157 3.792 3.960 -0.017 0.000 0.678 555 G HA3 -0.157 3.792 3.960 -0.017 0.000 0.678 555 G C -0.229 174.662 174.900 -0.015 0.000 1.349 555 G CA -0.166 44.936 45.100 0.004 0.000 0.847 555 G HN 0.150 nan 8.290 nan 0.000 0.548 556 D N -0.575 119.720 120.400 -0.175 0.000 2.183 556 D HA 0.089 4.719 4.640 -0.017 0.000 0.203 556 D C 0.859 176.615 176.300 -0.907 0.000 0.969 556 D CA 1.451 55.134 54.000 -0.528 0.000 0.842 556 D CB -0.054 40.175 40.800 -0.951 0.000 0.957 556 D HN 0.241 nan 8.370 nan 0.000 0.484 557 F N -0.071 119.734 119.950 -0.242 0.000 2.430 557 F HA 0.233 4.749 4.527 -0.017 0.000 0.362 557 F C 1.018 176.652 175.800 -0.277 0.000 1.103 557 F CA -0.695 57.114 58.000 -0.319 0.000 1.045 557 F CB 1.463 40.200 39.000 -0.438 0.000 1.276 557 F HN -0.360 nan 8.300 nan 0.000 0.444 558 V N 0.172 120.008 119.914 -0.130 0.000 2.599 558 V HA -0.085 4.024 4.120 -0.017 0.000 0.245 558 V C 1.102 177.077 176.094 -0.199 0.000 1.046 558 V CA 0.357 62.519 62.300 -0.231 0.000 1.065 558 V CB -0.472 31.104 31.823 -0.412 0.000 0.703 558 V HN 0.668 nan 8.190 nan 0.000 0.464 559 N N 1.693 120.315 118.700 -0.130 0.000 2.374 559 N HA -0.080 4.650 4.740 -0.017 0.000 0.269 559 N C 0.496 175.971 175.510 -0.059 0.000 1.310 559 N CA 0.750 53.742 53.050 -0.097 0.000 0.877 559 N CB -0.318 38.122 38.487 -0.080 0.000 1.096 559 N HN 0.466 nan 8.380 nan 0.000 0.484 560 Q N 0.232 119.999 119.800 -0.055 0.000 2.457 560 Q HA -0.308 4.021 4.340 -0.017 0.000 0.283 560 Q C -0.806 175.185 176.000 -0.016 0.000 1.234 560 Q CA 0.895 56.671 55.803 -0.044 0.000 0.877 560 Q CB -1.691 27.023 28.738 -0.039 0.000 1.250 560 Q HN 0.704 nan 8.270 nan 0.000 0.481 561 H N -0.074 118.900 119.070 -0.161 0.000 2.466 561 H HA 0.416 4.961 4.556 -0.017 0.000 0.338 561 H C 0.407 175.634 175.328 -0.168 0.000 1.091 561 H CA 0.059 56.017 56.048 -0.151 0.000 1.207 561 H CB 1.081 30.761 29.762 -0.138 0.000 1.466 561 H HN 0.308 nan 8.280 nan 0.000 0.493 562 S N 3.028 118.374 115.700 -0.590 0.000 2.625 562 S HA 0.297 4.757 4.470 -0.017 0.000 0.258 562 S C 0.923 175.148 174.600 -0.625 0.000 1.256 562 S CA -0.311 57.592 58.200 -0.495 0.000 0.983 562 S CB 0.687 63.681 63.200 -0.342 0.000 1.032 562 S HN 0.712 nan 8.310 nan 0.000 0.572 563 G N -1.752 106.830 108.800 -0.363 0.000 2.634 563 G HA2 0.483 4.433 3.960 -0.017 0.000 0.255 563 G HA3 0.483 4.433 3.960 -0.017 0.000 0.255 563 G C 0.831 175.567 174.900 -0.273 0.000 1.205 563 G CA -0.312 44.621 45.100 -0.279 0.000 0.884 563 G HN 1.893 nan 8.290 nan 0.000 0.549 564 G N -1.833 106.861 108.800 -0.176 0.000 2.624 564 G HA2 0.352 4.302 3.960 -0.017 0.000 0.190 564 G HA3 0.352 4.302 3.960 -0.017 0.000 0.190 564 G C 0.377 175.244 174.900 -0.055 0.000 1.008 564 G CA 0.742 45.782 45.100 -0.099 0.000 0.731 564 G HN 1.731 nan 8.290 nan 0.000 0.478 565 A N -0.372 122.417 122.820 -0.052 0.000 2.616 565 A HA 1.070 5.380 4.320 -0.017 0.000 0.253 565 A C 1.453 178.846 177.584 -0.319 0.000 1.239 565 A CA 0.944 52.934 52.037 -0.079 0.000 0.914 565 A CB 0.495 19.543 19.000 0.080 0.000 1.454 565 A HN 2.250 nan 8.150 nan 0.000 0.460 566 G N -1.725 106.761 108.800 -0.523 0.000 2.645 566 G HA2 -0.150 3.800 3.960 -0.017 0.000 0.246 566 G HA3 -0.150 3.800 3.960 -0.017 0.000 0.246 566 G C 0.764 174.727 174.900 -1.562 0.000 1.322 566 G CA 0.153 44.682 45.100 -0.951 0.000 0.898 566 G HN 1.264 nan 8.290 nan 0.000 0.573 567 L N 0.967 121.429 121.223 -1.269 0.000 2.034 567 L HA -0.151 4.179 4.340 -0.017 0.000 0.217 567 L C 0.337 176.824 176.870 -0.638 0.000 1.077 567 L CA 2.787 56.958 54.840 -1.115 0.000 0.769 567 L CB -1.242 39.925 42.059 -1.486 0.000 0.890 567 L HN 0.460 nan 8.230 nan 0.000 0.435 568 P HA -0.154 nan 4.420 nan 0.000 0.218 568 P C 1.759 178.986 177.300 -0.121 0.000 1.148 568 P CA 1.757 64.789 63.100 -0.114 0.000 0.822 568 P CB -0.015 31.639 31.700 -0.077 0.000 0.784 569 S N -2.468 113.080 115.700 -0.254 0.000 2.414 569 S HA -0.136 4.324 4.470 -0.017 0.000 0.227 569 S C 1.829 176.439 174.600 0.016 0.000 1.022 569 S CA 0.668 58.794 58.200 -0.123 0.000 0.958 569 S CB -1.426 61.698 63.200 -0.127 0.000 0.797 569 S HN -0.007 nan 8.310 nan 0.000 0.493 570 Y N 2.982 123.220 120.300 -0.103 0.000 2.109 570 Y HA 0.075 4.615 4.550 -0.017 0.000 0.285 570 Y C 2.517 178.400 175.900 -0.028 0.000 1.131 570 Y CA 0.305 58.351 58.100 -0.090 0.000 1.121 570 Y CB -1.494 36.865 38.460 -0.168 0.000 0.987 570 Y HN 0.446 nan 8.280 nan 0.000 0.495 571 I N -1.008 119.655 120.570 0.156 0.000 2.567 571 I HA -0.028 4.132 4.170 -0.017 0.000 0.257 571 I C 2.183 178.362 176.117 0.103 0.000 1.184 571 I CA 1.392 62.781 61.300 0.148 0.000 1.451 571 I CB -1.113 37.013 38.000 0.210 0.000 1.089 571 I HN 0.007 nan 8.210 nan 0.000 0.441 572 A N 0.562 123.430 122.820 0.080 0.000 2.070 572 A HA -0.179 4.131 4.320 -0.017 0.000 0.220 572 A C 2.279 179.894 177.584 0.051 0.000 1.159 572 A CA 1.471 53.541 52.037 0.055 0.000 0.656 572 A CB -0.750 18.272 19.000 0.037 0.000 0.800 572 A HN 0.667 nan 8.150 nan 0.000 0.453 573 Q N -1.254 118.583 119.800 0.062 0.000 2.364 573 Q HA -0.133 4.197 4.340 -0.017 0.000 0.209 573 Q C 0.141 176.168 176.000 0.046 0.000 0.977 573 Q CA 0.605 56.438 55.803 0.049 0.000 0.885 573 Q CB -0.113 28.654 28.738 0.049 0.000 0.941 573 Q HN 0.620 nan 8.270 nan 0.000 0.464 574 D N 0.623 121.057 120.400 0.055 0.000 2.686 574 D HA -0.175 4.455 4.640 -0.017 0.000 0.235 574 D C -0.928 175.401 176.300 0.048 0.000 1.160 574 D CA 0.607 54.638 54.000 0.051 0.000 0.645 574 D CB -0.566 40.258 40.800 0.040 0.000 1.039 574 D HN 0.219 nan 8.370 nan 0.000 0.423 575 R N 0.397 120.930 120.500 0.055 0.000 2.615 575 R HA 0.303 4.633 4.340 -0.017 0.000 0.270 575 R C 0.252 176.586 176.300 0.056 0.000 1.081 575 R CA -0.522 55.608 56.100 0.050 0.000 1.154 575 R CB 0.402 30.730 30.300 0.047 0.000 1.063 575 R HN 0.168 nan 8.270 nan 0.000 0.519 576 D N 2.027 122.458 120.400 0.051 0.000 2.383 576 D HA 0.028 4.658 4.640 -0.017 0.000 0.252 576 D C 0.479 176.818 176.300 0.066 0.000 1.166 576 D CA -0.041 53.991 54.000 0.054 0.000 0.879 576 D CB 0.555 41.382 40.800 0.045 0.000 1.164 576 D HN 0.549 nan 8.370 nan 0.000 0.462 577 I N -0.174 120.440 120.570 0.073 0.000 4.050 577 I HA 0.344 4.504 4.170 -0.017 0.000 0.327 577 I C 0.162 176.328 176.117 0.082 0.000 1.473 577 I CA -0.518 60.834 61.300 0.086 0.000 1.124 577 I CB 0.481 38.542 38.000 0.102 0.000 1.129 577 I HN 0.071 nan 8.210 nan 0.000 0.428 578 D N 3.016 123.458 120.400 0.069 0.000 2.494 578 D HA 0.361 4.991 4.640 -0.017 0.000 0.217 578 D C 1.055 177.392 176.300 0.062 0.000 1.153 578 D CA 0.513 54.552 54.000 0.065 0.000 0.954 578 D CB 0.377 41.210 40.800 0.055 0.000 1.034 578 D HN 0.559 nan 8.370 nan 0.000 0.518 579 G N 3.166 112.008 108.800 0.069 0.000 2.370 579 G HA2 -0.174 3.776 3.960 -0.017 0.000 0.268 579 G HA3 -0.174 3.776 3.960 -0.017 0.000 0.268 579 G C -0.131 174.812 174.900 0.073 0.000 1.122 579 G CA -0.354 44.786 45.100 0.067 0.000 0.963 579 G HN 0.467 nan 8.290 nan 0.000 0.500 580 Q N -0.740 119.112 119.800 0.086 0.000 2.687 580 Q HA 0.385 4.714 4.340 -0.017 0.000 0.305 580 Q C -1.055 175.013 176.000 0.113 0.000 1.006 580 Q CA -0.928 54.928 55.803 0.089 0.000 0.763 580 Q CB 1.094 29.879 28.738 0.079 0.000 1.506 580 Q HN 0.241 nan 8.270 nan 0.000 0.459 581 D N 1.905 122.365 120.400 0.100 0.000 2.344 581 D HA 0.303 4.932 4.640 -0.017 0.000 0.253 581 D C -0.402 175.973 176.300 0.124 0.000 1.255 581 D CA 0.076 54.130 54.000 0.090 0.000 0.894 581 D CB -0.312 40.437 40.800 -0.086 0.000 1.067 581 D HN 0.434 nan 8.370 nan 0.000 0.492 582 I N 0.070 120.727 120.570 0.144 0.000 2.957 582 I HA 0.687 4.847 4.170 -0.017 0.000 0.310 582 I C -0.999 175.188 176.117 0.117 0.000 1.063 582 I CA -1.093 60.293 61.300 0.144 0.000 1.033 582 I CB 2.253 40.332 38.000 0.132 0.000 1.230 582 I HN -0.085 nan 8.210 nan 0.000 0.447 583 V N 3.619 123.598 119.914 0.107 0.000 2.638 583 V HA 0.429 4.538 4.120 -0.017 0.000 0.306 583 V C -0.219 175.849 176.094 -0.042 0.000 1.052 583 V CA -0.663 61.611 62.300 -0.044 0.000 0.885 583 V CB 1.857 33.595 31.823 -0.143 0.000 0.999 583 V HN 0.571 nan 8.190 nan 0.000 0.424 584 V N 3.672 123.503 119.914 -0.138 0.000 2.427 584 V HA 0.471 4.580 4.120 -0.017 0.000 0.286 584 V C -1.122 174.903 176.094 -0.115 0.000 1.034 584 V CA -0.464 61.829 62.300 -0.012 0.000 0.893 584 V CB 1.669 33.487 31.823 -0.008 0.000 0.982 584 V HN 0.921 nan 8.190 nan 0.000 0.452 585 W N 4.033 125.388 121.300 0.091 0.000 2.336 585 W HA 0.498 5.148 4.660 -0.017 0.000 0.315 585 W C -0.167 176.462 176.519 0.185 0.000 1.016 585 W CA -0.594 56.812 57.345 0.101 0.000 1.318 585 W CB 0.526 30.025 29.460 0.065 0.000 1.247 585 W HN 0.589 nan 8.180 nan 0.000 0.414 586 H N 1.742 120.911 119.070 0.165 0.000 2.519 586 H HA 0.491 5.037 4.556 -0.017 0.000 0.316 586 H C -0.317 175.209 175.328 0.329 0.000 1.065 586 H CA -0.263 55.850 56.048 0.109 0.000 1.264 586 H CB 0.967 30.600 29.762 -0.215 0.000 1.413 586 H HN 0.162 nan 8.280 nan 0.000 0.465 587 T N 7.354 121.942 114.554 0.056 0.000 2.771 587 T HA 0.421 4.761 4.350 -0.017 0.000 0.291 587 T C -0.978 173.657 174.700 -0.109 0.000 0.954 587 T CA -0.231 61.914 62.100 0.075 0.000 1.045 587 T CB -0.336 68.665 68.868 0.222 0.000 0.917 587 T HN 0.500 nan 8.240 nan 0.000 0.484 588 F N -0.001 119.865 119.950 -0.141 0.000 2.628 588 F HA 0.832 5.349 4.527 -0.017 0.000 0.309 588 F C -0.276 175.639 175.800 0.193 0.000 1.108 588 F CA -1.099 56.880 58.000 -0.036 0.000 0.971 588 F CB 1.035 39.979 39.000 -0.093 0.000 1.279 588 F HN 0.794 nan 8.300 nan 0.000 0.441 589 G N 1.897 110.819 108.800 0.203 0.000 2.600 589 G HA2 0.606 4.556 3.960 -0.017 0.000 0.293 589 G HA3 0.606 4.556 3.960 -0.017 0.000 0.293 589 G C -2.478 172.524 174.900 0.170 0.000 1.408 589 G CA -1.135 44.073 45.100 0.181 0.000 0.782 589 G HN 0.830 nan 8.290 nan 0.000 0.482 590 L N 0.298 121.606 121.223 0.142 0.000 2.334 590 L HA 0.619 4.949 4.340 -0.017 0.000 0.276 590 L C -0.109 176.731 176.870 -0.050 0.000 1.014 590 L CA -0.707 54.176 54.840 0.073 0.000 0.815 590 L CB 2.444 44.562 42.059 0.099 0.000 1.268 590 L HN 0.435 nan 8.230 nan 0.000 0.428 591 T N 2.170 116.636 114.554 -0.145 0.000 2.758 591 T HA 0.612 4.952 4.350 -0.017 0.000 0.285 591 T C -0.230 174.148 174.700 -0.537 0.000 0.981 591 T CA -0.455 61.433 62.100 -0.353 0.000 0.965 591 T CB 1.436 70.117 68.868 -0.311 0.000 0.927 591 T HN 0.620 nan 8.240 nan 0.000 0.448 592 A N 3.150 125.524 122.820 -0.743 0.000 2.304 592 A HA 0.783 5.093 4.320 -0.017 0.000 0.323 592 A C -0.861 176.173 177.584 -0.918 0.000 1.195 592 A CA -0.609 50.987 52.037 -0.734 0.000 0.826 592 A CB 0.271 18.852 19.000 -0.698 0.000 1.184 592 A HN 0.757 nan 8.150 nan 0.000 0.496 593 F N 2.726 122.488 119.950 -0.314 0.000 2.449 593 F HA 0.333 4.850 4.527 -0.017 0.000 0.329 593 F C -2.278 173.491 175.800 -0.052 0.000 1.245 593 F CA -2.445 55.327 58.000 -0.380 0.000 1.193 593 F CB 0.662 39.315 39.000 -0.578 0.000 1.425 593 F HN 0.339 nan 8.300 nan 0.000 0.544 594 P HA -0.017 nan 4.420 nan 0.000 0.263 594 P C -0.125 177.290 177.300 0.192 0.000 1.162 594 P CA 0.502 63.734 63.100 0.219 0.000 0.758 594 P CB 0.620 32.498 31.700 0.296 0.000 0.773 595 R N 1.677 122.266 120.500 0.148 0.000 2.782 595 R HA 0.354 4.684 4.340 -0.017 0.000 0.258 595 R C 1.208 177.581 176.300 0.121 0.000 1.055 595 R CA -1.031 55.136 56.100 0.112 0.000 1.065 595 R CB 0.442 30.794 30.300 0.086 0.000 1.172 595 R HN 0.094 nan 8.270 nan 0.000 0.510 596 V N 1.223 121.191 119.914 0.089 0.000 2.490 596 V HA -0.209 3.901 4.120 -0.017 0.000 0.250 596 V C 1.419 177.602 176.094 0.149 0.000 1.061 596 V CA 1.828 64.196 62.300 0.112 0.000 1.064 596 V CB -0.553 31.310 31.823 0.066 0.000 0.670 596 V HN 0.692 nan 8.190 nan 0.000 0.461 597 E N -0.002 120.261 120.200 0.104 0.000 2.338 597 E HA -0.152 4.188 4.350 -0.017 0.000 0.197 597 E C 1.580 178.237 176.600 0.096 0.000 1.007 597 E CA 0.809 57.260 56.400 0.085 0.000 0.849 597 E CB -0.202 29.530 29.700 0.054 0.000 0.774 597 E HN 0.578 nan 8.360 nan 0.000 0.506 598 D N -0.988 119.497 120.400 0.141 0.000 2.340 598 D HA -0.051 4.578 4.640 -0.017 0.000 0.220 598 D C -0.283 176.149 176.300 0.220 0.000 1.039 598 D CA 0.229 54.319 54.000 0.149 0.000 0.866 598 D CB 0.167 41.069 40.800 0.171 0.000 0.913 598 D HN 0.214 nan 8.370 nan 0.000 0.523 599 W N 2.275 123.594 121.300 0.033 0.000 2.666 599 W HA 0.217 4.867 4.660 -0.017 0.000 0.334 599 W C -1.957 174.591 176.519 0.049 0.000 1.051 599 W CA -1.972 55.399 57.345 0.044 0.000 1.224 599 W CB 2.172 31.659 29.460 0.046 0.000 1.405 599 W HN -0.212 nan 8.180 nan 0.000 0.513 600 P HA 0.102 nan 4.420 nan 0.000 0.240 600 P C -0.017 176.846 177.300 -0.727 0.000 1.190 600 P CA 0.795 63.009 63.100 -1.477 0.000 0.781 600 P CB 1.432 32.534 31.700 -0.997 0.000 0.931 601 I N 0.529 120.862 120.570 -0.396 0.000 2.569 601 I HA 0.297 4.457 4.170 -0.017 0.000 0.290 601 I C -0.394 175.596 176.117 -0.211 0.000 1.088 601 I CA -1.827 59.242 61.300 -0.384 0.000 1.047 601 I CB 2.392 39.932 38.000 -0.767 0.000 1.237 601 I HN -0.248 nan 8.210 nan 0.000 0.421 602 M N 9.808 129.327 119.600 -0.135 0.000 2.211 602 M HA 0.586 5.055 4.480 -0.017 0.000 0.356 602 M C -2.570 173.689 176.300 -0.069 0.000 1.216 602 M CA -1.207 54.061 55.300 -0.054 0.000 1.134 602 M CB 1.017 33.622 32.600 0.009 0.000 1.564 602 M HN 0.228 nan 8.290 nan 0.000 0.463 603 P HA 0.131 nan 4.420 nan 0.000 0.277 603 P C -0.577 176.710 177.300 -0.021 0.000 1.240 603 P CA -0.428 62.649 63.100 -0.038 0.000 0.798 603 P CB 0.906 32.591 31.700 -0.024 0.000 0.979 604 V N 2.791 122.697 119.914 -0.014 0.000 2.584 604 V HA -0.054 4.055 4.120 -0.017 0.000 0.303 604 V C 0.824 176.912 176.094 -0.010 0.000 1.035 604 V CA 1.119 63.420 62.300 0.001 0.000 1.172 604 V CB -0.406 31.428 31.823 0.017 0.000 0.896 604 V HN 0.635 nan 8.190 nan 0.000 0.486 605 D N 2.692 123.084 120.400 -0.013 0.000 2.350 605 D HA 0.720 5.349 4.640 -0.017 0.000 0.238 605 D C -0.186 176.098 176.300 -0.025 0.000 0.989 605 D CA -0.170 53.823 54.000 -0.012 0.000 0.921 605 D CB 2.269 43.068 40.800 -0.001 0.000 1.297 605 D HN 0.724 nan 8.370 nan 0.000 0.490 606 T N -1.525 113.019 114.554 -0.016 0.000 2.901 606 T HA 0.756 5.096 4.350 -0.017 0.000 0.293 606 T C -0.935 173.785 174.700 0.035 0.000 1.084 606 T CA -0.812 61.264 62.100 -0.039 0.000 1.008 606 T CB 1.505 70.330 68.868 -0.071 0.000 1.170 606 T HN 0.252 nan 8.240 nan 0.000 0.509 607 V N -0.366 119.556 119.914 0.013 0.000 3.204 607 V HA 0.881 4.990 4.120 -0.017 0.000 0.298 607 V C -0.244 175.835 176.094 -0.025 0.000 1.328 607 V CA 0.555 62.942 62.300 0.145 0.000 1.035 607 V CB 1.714 33.687 31.823 0.251 0.000 1.095 607 V HN 1.720 nan 8.190 nan 0.000 0.442 608 G N 2.661 111.292 108.800 -0.282 0.000 2.393 608 G HA2 0.703 4.653 3.960 -0.017 0.000 0.264 608 G HA3 0.703 4.653 3.960 -0.017 0.000 0.264 608 G C -1.487 172.842 174.900 -0.951 0.000 1.221 608 G CA 0.223 44.959 45.100 -0.606 0.000 0.912 608 G HN 1.941 nan 8.290 nan 0.000 0.483 609 F N -1.071 118.520 119.950 -0.598 0.000 2.858 609 F HA 0.863 5.380 4.527 -0.018 0.000 0.319 609 F C -1.035 174.753 175.800 -0.020 0.000 1.166 609 F CA -0.955 56.871 58.000 -0.289 0.000 0.899 609 F CB 1.476 40.328 39.000 -0.247 0.000 1.332 609 F HN 0.850 nan 8.300 nan 0.000 0.461 610 K N 0.795 121.339 120.400 0.240 0.000 2.555 610 K HA 0.840 5.150 4.320 -0.017 0.000 0.279 610 K C -2.472 174.366 176.600 0.396 0.000 0.986 610 K CA -1.062 55.355 56.287 0.217 0.000 0.880 610 K CB 2.602 35.196 32.500 0.157 0.000 1.474 610 K HN 0.730 nan 8.250 nan 0.000 0.433 611 L N 1.319 122.777 121.223 0.393 0.000 2.381 611 L HA 0.569 4.899 4.340 -0.017 0.000 0.274 611 L C -0.635 176.502 176.870 0.444 0.000 0.988 611 L CA -0.561 54.541 54.840 0.437 0.000 0.824 611 L CB 2.100 44.442 42.059 0.472 0.000 1.263 611 L HN 0.575 nan 8.230 nan 0.000 0.410 612 R N 3.077 123.755 120.500 0.296 0.000 2.711 612 R HA 0.573 4.903 4.340 -0.017 0.000 0.284 612 R C -2.531 173.525 176.300 -0.407 0.000 0.968 612 R CA -1.902 54.241 56.100 0.072 0.000 0.924 612 R CB 1.611 31.982 30.300 0.120 0.000 1.162 612 R HN 0.308 nan 8.270 nan 0.000 0.465 613 P HA -0.049 nan 4.420 nan 0.000 0.267 613 P C -0.718 176.357 177.300 -0.376 0.000 1.200 613 P CA 0.214 62.685 63.100 -1.047 0.000 0.772 613 P CB 0.746 32.191 31.700 -0.425 0.000 0.855 614 E N 1.637 121.683 120.200 -0.256 0.000 2.914 614 E HA 0.430 4.769 4.350 -0.017 0.000 0.246 614 E C 0.655 177.256 176.600 0.003 0.000 1.146 614 E CA -0.347 56.014 56.400 -0.065 0.000 0.803 614 E CB -0.606 29.075 29.700 -0.032 0.000 1.409 614 E HN 0.672 nan 8.360 nan 0.000 0.392 615 G N 3.186 111.999 108.800 0.022 0.000 2.160 615 G HA2 -0.366 3.584 3.960 -0.017 0.000 0.251 615 G HA3 -0.366 3.584 3.960 -0.017 0.000 0.251 615 G C 0.547 175.460 174.900 0.022 0.000 1.008 615 G CA 0.448 45.566 45.100 0.029 0.000 0.724 615 G HN 0.537 nan 8.290 nan 0.000 0.514 616 F N 0.026 119.873 119.950 -0.172 0.000 2.187 616 F HA 0.463 4.980 4.527 -0.017 0.000 0.295 616 F C 1.317 176.868 175.800 -0.414 0.000 1.091 616 F CA 0.631 58.436 58.000 -0.325 0.000 1.308 616 F CB 0.051 38.759 39.000 -0.486 0.000 1.030 616 F HN 0.126 nan 8.300 nan 0.000 0.487 617 F N 0.259 120.235 119.950 0.044 0.000 2.411 617 F HA 0.232 4.748 4.527 -0.018 0.000 0.324 617 F C 1.341 177.107 175.800 -0.056 0.000 1.086 617 F CA -0.815 57.159 58.000 -0.043 0.000 1.028 617 F CB 0.377 39.361 39.000 -0.026 0.000 1.284 617 F HN -0.291 nan 8.300 nan 0.000 0.501 618 D N 0.024 120.520 120.400 0.159 0.000 2.349 618 D HA 0.067 4.697 4.640 -0.017 0.000 0.215 618 D C 0.292 176.625 176.300 0.056 0.000 1.016 618 D CA 0.607 54.646 54.000 0.065 0.000 0.870 618 D CB 0.272 41.094 40.800 0.036 0.000 0.917 618 D HN 0.508 nan 8.370 nan 0.000 0.524 619 R N -2.028 118.517 120.500 0.074 0.000 2.832 619 R HA 0.205 4.535 4.340 -0.017 0.000 0.283 619 R C -0.761 175.534 176.300 -0.008 0.000 0.998 619 R CA -0.755 55.359 56.100 0.024 0.000 0.843 619 R CB 0.373 30.674 30.300 0.001 0.000 1.332 619 R HN -0.151 nan 8.270 nan 0.000 0.490 620 S N 0.989 116.662 115.700 -0.045 0.000 2.563 620 S HA 0.096 4.556 4.470 -0.017 0.000 0.294 620 S C -1.245 173.241 174.600 -0.189 0.000 1.279 620 S CA -0.696 57.441 58.200 -0.104 0.000 1.069 620 S CB 0.453 63.616 63.200 -0.061 0.000 0.828 620 S HN 0.535 nan 8.310 nan 0.000 0.497 621 P HA 0.101 nan 4.420 nan 0.000 0.249 621 P C 0.603 177.797 177.300 -0.177 0.000 1.229 621 P CA 0.224 63.047 63.100 -0.461 0.000 0.788 621 P CB -0.202 30.763 31.700 -1.225 0.000 1.072 622 V N -4.010 115.843 119.914 -0.102 0.000 3.043 622 V HA 0.229 4.339 4.120 -0.017 0.000 0.357 622 V C 1.602 177.715 176.094 0.032 0.000 1.372 622 V CA -0.081 62.213 62.300 -0.011 0.000 1.214 622 V CB -0.884 30.957 31.823 0.030 0.000 1.224 622 V HN -0.126 nan 8.190 nan 0.000 0.507 623 L N 1.220 122.453 121.223 0.016 0.000 2.291 623 L HA 0.013 4.342 4.340 -0.017 0.000 0.214 623 L C 2.140 179.048 176.870 0.063 0.000 1.120 623 L CA 1.490 56.360 54.840 0.051 0.000 0.799 623 L CB -0.318 41.748 42.059 0.012 0.000 0.925 623 L HN 0.556 nan 8.230 nan 0.000 0.446 624 D N -0.622 119.796 120.400 0.030 0.000 2.328 624 D HA -0.014 4.616 4.640 -0.017 0.000 0.226 624 D C 0.629 176.938 176.300 0.014 0.000 1.066 624 D CA 0.027 54.040 54.000 0.020 0.000 0.861 624 D CB -0.270 40.530 40.800 0.001 0.000 0.912 624 D HN 0.002 nan 8.370 nan 0.000 0.521 625 V N 3.179 123.108 119.914 0.024 0.000 2.521 625 V HA 0.185 4.294 4.120 -0.017 0.000 0.286 625 V C -1.582 174.514 176.094 0.003 0.000 1.034 625 V CA -1.032 61.272 62.300 0.006 0.000 1.045 625 V CB 0.916 32.748 31.823 0.015 0.000 0.974 625 V HN 0.188 nan 8.190 nan 0.000 0.480 626 P HA 0.349 nan 4.420 nan 0.000 0.276 626 P C -0.693 176.579 177.300 -0.047 0.000 1.252 626 P CA -0.518 62.571 63.100 -0.018 0.000 0.802 626 P CB 1.077 32.769 31.700 -0.013 0.000 1.035 627 A N 2.311 125.097 122.820 -0.057 0.000 2.450 627 A HA 0.205 4.514 4.320 -0.017 0.000 0.255 627 A C 0.977 178.533 177.584 -0.048 0.000 1.096 627 A CA -0.538 51.450 52.037 -0.083 0.000 0.778 627 A CB -0.569 18.385 19.000 -0.076 0.000 1.031 627 A HN 0.720 nan 8.150 nan 0.000 0.494 628 N N 0.000 118.673 118.700 -0.045 0.000 1.763 628 N HA 0.000 4.730 4.740 -0.017 0.000 0.220 628 N CA 0.000 53.038 53.050 -0.021 0.000 0.885 628 N CB 0.000 38.482 38.487 -0.008 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667