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 1wmp_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 IGNYDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.571 177.584 -0.022 0.000 1.274 9 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 9 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 10 S N 2.690 118.385 115.700 -0.008 0.000 2.525 10 S HA 0.350 4.809 4.470 -0.018 0.000 0.285 10 S C -1.171 173.392 174.600 -0.063 0.000 1.283 10 S CA -0.337 57.864 58.200 0.002 0.000 1.072 10 S CB 0.816 64.051 63.200 0.059 0.000 0.867 10 S HN 0.350 nan 8.310 nan 0.000 0.492 11 P HA 0.076 nan 4.420 nan 0.000 0.242 11 P C 0.052 176.957 177.300 -0.659 0.000 1.197 11 P CA 0.549 63.404 63.100 -0.408 0.000 0.765 11 P CB -0.103 31.292 31.700 -0.509 0.000 0.936 12 F N 0.314 120.198 119.950 -0.110 0.000 2.683 12 F HA 0.239 4.755 4.527 -0.018 0.000 0.306 12 F C 1.468 177.187 175.800 -0.135 0.000 1.102 12 F CA -0.831 57.056 58.000 -0.188 0.000 1.244 12 F CB -0.040 38.852 39.000 -0.180 0.000 1.029 12 F HN -0.175 nan 8.300 nan 0.000 0.545 13 R N 0.669 121.184 120.500 0.026 0.000 2.784 13 R HA 0.276 4.605 4.340 -0.018 0.000 0.266 13 R C -0.101 176.212 176.300 0.022 0.000 1.044 13 R CA -0.436 55.687 56.100 0.038 0.000 1.151 13 R CB 0.463 30.779 30.300 0.026 0.000 1.037 13 R HN 0.139 nan 8.270 nan 0.000 0.478 14 L N 1.297 122.548 121.223 0.047 0.000 2.473 14 L HA 0.152 4.481 4.340 -0.018 0.000 0.268 14 L C 0.763 177.677 176.870 0.073 0.000 1.215 14 L CA -0.198 54.678 54.840 0.059 0.000 0.823 14 L CB 0.451 42.548 42.059 0.063 0.000 1.099 14 L HN 0.852 nan 8.230 nan 0.000 0.483 15 A N 1.796 124.680 122.820 0.108 0.000 2.462 15 A HA 0.381 4.690 4.320 -0.018 0.000 0.243 15 A C 0.279 177.943 177.584 0.133 0.000 1.076 15 A CA -0.225 51.933 52.037 0.202 0.000 0.773 15 A CB 0.131 19.313 19.000 0.304 0.000 1.010 15 A HN 0.737 nan 8.150 nan 0.000 0.493 16 S N 1.334 117.103 115.700 0.115 0.000 2.687 16 S HA 0.611 5.070 4.470 -0.018 0.000 0.283 16 S C 1.155 175.763 174.600 0.014 0.000 1.170 16 S CA -0.198 58.031 58.200 0.049 0.000 1.008 16 S CB 1.528 64.749 63.200 0.034 0.000 1.026 16 S HN 1.535 nan 8.310 nan 0.000 0.541 17 A N 1.597 124.417 122.820 -0.000 0.000 1.933 17 A HA 0.133 4.442 4.320 -0.018 0.000 0.218 17 A C 2.129 179.687 177.584 -0.044 0.000 1.175 17 A CA 1.736 53.762 52.037 -0.018 0.000 0.628 17 A CB -1.780 17.214 19.000 -0.011 0.000 0.814 17 A HN 1.154 nan 8.150 nan 0.000 0.444 18 G N -0.492 108.285 108.800 -0.038 0.000 2.418 18 G HA2 -0.221 3.728 3.960 -0.018 0.000 0.217 18 G HA3 -0.221 3.728 3.960 -0.018 0.000 0.217 18 G C 1.421 176.259 174.900 -0.103 0.000 1.158 18 G CA 0.991 46.058 45.100 -0.054 0.000 0.771 18 G HN 0.659 nan 8.290 nan 0.000 0.545 19 E N -0.053 120.074 120.200 -0.122 0.000 2.077 19 E HA -0.070 4.269 4.350 -0.018 0.000 0.193 19 E C 2.499 178.821 176.600 -0.463 0.000 0.989 19 E CA 0.594 56.828 56.400 -0.276 0.000 0.800 19 E CB -0.138 29.439 29.700 -0.206 0.000 0.746 19 E HN 0.495 nan 8.360 nan 0.000 0.452 20 I N 0.694 121.069 120.570 -0.324 0.000 2.202 20 I HA -0.247 3.912 4.170 -0.018 0.000 0.242 20 I C 2.379 178.376 176.117 -0.202 0.000 1.091 20 I CA 0.798 61.925 61.300 -0.287 0.000 1.368 20 I CB -0.148 37.770 38.000 -0.137 0.000 1.058 20 I HN -0.012 nan 8.210 nan 0.000 0.410 21 S N 0.070 115.688 115.700 -0.136 0.000 2.399 21 S HA -0.218 4.241 4.470 -0.018 0.000 0.231 21 S C 1.875 176.411 174.600 -0.106 0.000 1.022 21 S CA 1.372 59.517 58.200 -0.092 0.000 0.983 21 S CB -0.204 62.959 63.200 -0.062 0.000 0.803 21 S HN 0.380 nan 8.310 nan 0.000 0.480 22 E N 1.217 121.330 120.200 -0.145 0.000 2.072 22 E HA -0.070 4.268 4.350 -0.018 0.000 0.191 22 E C 1.896 178.407 176.600 -0.149 0.000 0.985 22 E CA 0.913 57.232 56.400 -0.134 0.000 0.801 22 E CB -0.346 29.266 29.700 -0.147 0.000 0.750 22 E HN 0.232 nan 8.360 nan 0.000 0.452 23 V N 0.964 120.737 119.914 -0.234 0.000 2.332 23 V HA -0.296 3.813 4.120 -0.018 0.000 0.248 23 V C 2.587 178.618 176.094 -0.105 0.000 1.055 23 V CA 2.288 64.468 62.300 -0.200 0.000 1.038 23 V CB -0.643 31.001 31.823 -0.299 0.000 0.651 23 V HN 0.421 nan 8.190 nan 0.000 0.450 24 Q N 0.010 119.752 119.800 -0.096 0.000 2.061 24 Q HA -0.186 4.143 4.340 -0.018 0.000 0.204 24 Q C 2.248 178.230 176.000 -0.031 0.000 0.984 24 Q CA 2.145 57.921 55.803 -0.045 0.000 0.846 24 Q CB -0.487 28.233 28.738 -0.031 0.000 0.902 24 Q HN 0.655 nan 8.270 nan 0.000 0.421 25 G N 0.877 109.652 108.800 -0.042 0.000 2.402 25 G HA2 -0.218 3.731 3.960 -0.018 0.000 0.216 25 G HA3 -0.218 3.731 3.960 -0.018 0.000 0.216 25 G C 1.407 176.292 174.900 -0.025 0.000 1.162 25 G CA 0.831 45.913 45.100 -0.030 0.000 0.777 25 G HN 0.366 nan 8.290 nan 0.000 0.539 26 I N 0.405 120.956 120.570 -0.033 0.000 2.226 26 I HA -0.135 4.024 4.170 -0.018 0.000 0.245 26 I C 2.688 178.799 176.117 -0.009 0.000 1.100 26 I CA 0.715 62.002 61.300 -0.021 0.000 1.374 26 I CB -0.187 37.798 38.000 -0.025 0.000 1.057 26 I HN 0.129 nan 8.210 nan 0.000 0.413 27 L N -0.004 121.214 121.223 -0.008 0.000 2.056 27 L HA -0.178 4.151 4.340 -0.018 0.000 0.207 27 L C 2.761 179.635 176.870 0.007 0.000 1.078 27 L CA 1.329 56.173 54.840 0.006 0.000 0.749 27 L CB -0.599 41.466 42.059 0.011 0.000 0.901 27 L HN 0.154 nan 8.230 nan 0.000 0.433 28 R N -0.542 119.960 120.500 0.003 0.000 2.073 28 R HA -0.127 4.202 4.340 -0.018 0.000 0.234 28 R C 2.322 178.623 176.300 0.002 0.000 1.134 28 R CA 1.915 58.018 56.100 0.005 0.000 0.952 28 R CB -0.600 29.702 30.300 0.003 0.000 0.850 28 R HN 0.294 nan 8.270 nan 0.000 0.433 29 T N 0.655 115.208 114.554 -0.002 0.000 2.788 29 T HA -0.124 4.215 4.350 -0.018 0.000 0.268 29 T C 1.714 176.414 174.700 0.000 0.000 1.044 29 T CA 1.410 63.509 62.100 -0.002 0.000 1.139 29 T CB -0.130 68.735 68.868 -0.005 0.000 0.867 29 T HN 0.364 nan 8.240 nan 0.000 0.454 30 A N 0.289 123.110 122.820 0.003 0.000 2.206 30 A HA 0.473 4.782 4.320 -0.018 0.000 0.211 30 A C 1.910 179.497 177.584 0.006 0.000 1.158 30 A CA 0.900 52.940 52.037 0.005 0.000 0.761 30 A CB -0.791 18.215 19.000 0.010 0.000 0.801 30 A HN 0.749 nan 8.150 nan 0.000 0.473 31 G N -1.297 107.506 108.800 0.005 0.000 2.147 31 G HA2 -0.234 3.715 3.960 -0.018 0.000 0.244 31 G HA3 -0.234 3.715 3.960 -0.018 0.000 0.244 31 G C 0.514 175.418 174.900 0.006 0.000 1.005 31 G CA 0.481 45.584 45.100 0.004 0.000 0.713 31 G HN 0.526 nan 8.290 nan 0.000 0.515 32 L N -1.305 119.925 121.223 0.011 0.000 2.640 32 L HA 0.484 4.813 4.340 -0.018 0.000 0.230 32 L C 1.045 177.927 176.870 0.020 0.000 1.123 32 L CA 0.089 54.938 54.840 0.016 0.000 0.900 32 L CB 0.580 42.652 42.059 0.023 0.000 1.146 32 L HN 0.192 nan 8.230 nan 0.000 0.484 33 L N 0.584 121.819 121.223 0.020 0.000 2.625 33 L HA 0.507 4.836 4.340 -0.018 0.000 0.255 33 L C 0.569 177.459 176.870 0.032 0.000 1.493 33 L CA -0.168 54.690 54.840 0.031 0.000 0.796 33 L CB 0.508 42.587 42.059 0.035 0.000 1.064 33 L HN -0.052 nan 8.230 nan 0.000 0.516 34 G N 0.543 109.357 108.800 0.024 0.000 2.588 34 G HA2 0.312 4.261 3.960 -0.018 0.000 0.278 34 G HA3 0.312 4.261 3.960 -0.018 0.000 0.278 34 G C -1.577 173.346 174.900 0.039 0.000 1.307 34 G CA -0.471 44.642 45.100 0.022 0.000 1.016 34 G HN 0.362 nan 8.290 nan 0.000 0.503 35 P HA -0.116 nan 4.420 nan 0.000 0.221 35 P C 1.133 178.472 177.300 0.066 0.000 1.145 35 P CA 1.263 64.394 63.100 0.052 0.000 0.795 35 P CB 0.215 31.931 31.700 0.026 0.000 0.775 36 E N -0.479 119.740 120.200 0.031 0.000 2.489 36 E HA 0.022 4.361 4.350 -0.018 0.000 0.193 36 E C 0.246 176.838 176.600 -0.014 0.000 1.057 36 E CA 0.337 56.741 56.400 0.008 0.000 0.866 36 E CB -0.066 29.621 29.700 -0.022 0.000 0.916 36 E HN 0.130 nan 8.360 nan 0.000 0.500 37 K N 1.375 121.786 120.400 0.019 0.000 2.098 37 K HA 0.443 4.752 4.320 -0.018 0.000 0.258 37 K C 0.200 176.830 176.600 0.049 0.000 0.973 37 K CA -0.668 55.624 56.287 0.010 0.000 0.898 37 K CB 1.450 33.963 32.500 0.022 0.000 1.057 37 K HN -0.046 nan 8.250 nan 0.000 0.447 38 R N 1.328 121.854 120.500 0.044 0.000 2.651 38 R HA 0.430 4.759 4.340 -0.018 0.000 0.278 38 R C -0.426 175.903 176.300 0.049 0.000 1.010 38 R CA -0.922 55.190 56.100 0.021 0.000 0.896 38 R CB 1.279 31.611 30.300 0.053 0.000 1.211 38 R HN 0.462 nan 8.270 nan 0.000 0.456 39 I N 2.476 123.040 120.570 -0.010 0.000 2.322 39 I HA 0.150 4.309 4.170 -0.018 0.000 0.292 39 I C 1.331 177.464 176.117 0.026 0.000 1.060 39 I CA 0.076 61.387 61.300 0.019 0.000 1.309 39 I CB 0.705 38.690 38.000 -0.026 0.000 1.415 39 I HN 0.739 nan 8.210 nan 0.000 0.492 40 A N 6.681 129.572 122.820 0.119 0.000 2.095 40 A HA 0.026 4.335 4.320 -0.018 0.000 0.212 40 A C 0.391 178.089 177.584 0.190 0.000 1.162 40 A CA 0.661 52.779 52.037 0.135 0.000 0.753 40 A CB 0.213 19.327 19.000 0.190 0.000 0.840 40 A HN 0.639 nan 8.150 nan 0.000 0.468 41 Y N -1.827 118.484 120.300 0.018 0.000 2.480 41 Y HA 0.579 5.118 4.550 -0.018 0.000 0.329 41 Y C -1.805 173.980 175.900 -0.192 0.000 1.127 41 Y CA -1.286 56.722 58.100 -0.154 0.000 1.037 41 Y CB 1.285 39.494 38.460 -0.419 0.000 1.320 41 Y HN 0.146 nan 8.280 nan 0.000 0.446 42 L N 5.320 125.811 121.223 -1.221 0.000 2.505 42 L HA 0.957 5.286 4.340 -0.018 0.000 0.266 42 L C -1.220 175.094 176.870 -0.927 0.000 0.954 42 L CA -0.219 54.126 54.840 -0.825 0.000 0.852 42 L CB 1.974 43.849 42.059 -0.307 0.000 1.282 42 L HN 0.937 nan 8.230 nan 0.000 0.403 43 G N 2.805 111.245 108.800 -0.600 0.000 2.718 43 G HA2 0.479 4.428 3.960 -0.018 0.000 0.295 43 G HA3 0.479 4.428 3.960 -0.018 0.000 0.295 43 G C -1.843 172.908 174.900 -0.249 0.000 1.421 43 G CA -0.541 44.384 45.100 -0.291 0.000 0.902 43 G HN 0.516 nan 8.290 nan 0.000 0.501 44 V N 1.748 121.361 119.914 -0.502 0.000 2.686 44 V HA 0.556 4.665 4.120 -0.018 0.000 0.295 44 V C 0.176 176.002 176.094 -0.446 0.000 1.055 44 V CA -0.518 61.176 62.300 -1.009 0.000 1.050 44 V CB 0.704 31.927 31.823 -1.001 0.000 0.984 44 V HN 0.563 nan 8.190 nan 0.000 0.482 45 L N 5.680 126.670 121.223 -0.387 0.000 2.326 45 L HA 0.429 4.758 4.340 -0.018 0.000 0.278 45 L C 0.090 176.860 176.870 -0.167 0.000 1.092 45 L CA -0.621 54.113 54.840 -0.178 0.000 0.810 45 L CB 0.933 42.926 42.059 -0.109 0.000 1.153 45 L HN 0.629 nan 8.230 nan 0.000 0.439 46 D N 3.577 123.931 120.400 -0.076 0.000 2.362 46 D HA 0.195 4.824 4.640 -0.018 0.000 0.242 46 D C -1.930 174.329 176.300 -0.068 0.000 1.132 46 D CA -0.822 53.151 54.000 -0.045 0.000 0.907 46 D CB 0.416 41.277 40.800 0.102 0.000 1.195 46 D HN 0.319 nan 8.370 nan 0.000 0.429 47 P HA 0.176 nan 4.420 nan 0.000 0.269 47 P C -0.781 176.504 177.300 -0.025 0.000 1.209 47 P CA -0.394 62.639 63.100 -0.111 0.000 0.776 47 P CB 0.640 32.218 31.700 -0.203 0.000 0.876 48 A N 3.925 126.731 122.820 -0.023 0.000 2.327 48 A HA 0.246 4.555 4.320 -0.018 0.000 0.255 48 A C 0.681 178.250 177.584 -0.026 0.000 1.099 48 A CA -0.415 51.622 52.037 0.000 0.000 0.801 48 A CB 0.087 19.087 19.000 0.001 0.000 1.062 48 A HN 0.455 nan 8.150 nan 0.000 0.496 49 R N 0.089 120.554 120.500 -0.058 0.000 2.537 49 R HA 0.401 4.730 4.340 -0.018 0.000 0.280 49 R C 0.736 177.001 176.300 -0.058 0.000 1.058 49 R CA 1.209 57.230 56.100 -0.132 0.000 1.057 49 R CB -0.374 29.779 30.300 -0.245 0.000 0.973 49 R HN 1.811 nan 8.270 nan 0.000 0.438 50 G N 1.104 109.887 108.800 -0.028 0.000 2.977 50 G HA2 -0.153 3.796 3.960 -0.018 0.000 0.686 50 G HA3 -0.153 3.796 3.960 -0.018 0.000 0.686 50 G C -0.145 174.759 174.900 0.007 0.000 1.088 50 G CA -0.326 44.776 45.100 0.004 0.000 0.845 50 G HN 0.827 nan 8.290 nan 0.000 0.565 51 A N 2.333 125.163 122.820 0.017 0.000 2.526 51 A HA 0.580 4.889 4.320 -0.018 0.000 0.287 51 A C 1.674 179.258 177.584 0.000 0.000 1.232 51 A CA 1.496 53.537 52.037 0.008 0.000 0.900 51 A CB -0.158 18.850 19.000 0.013 0.000 1.077 51 A HN 2.240 nan 8.150 nan 0.000 0.535 52 G N 1.761 110.557 108.800 -0.007 0.000 2.624 52 G HA2 0.168 4.117 3.960 -0.018 0.000 0.216 52 G HA3 0.168 4.117 3.960 -0.018 0.000 0.216 52 G C 0.813 175.708 174.900 -0.008 0.000 1.274 52 G CA 0.627 45.722 45.100 -0.007 0.000 0.856 52 G HN 0.656 nan 8.290 nan 0.000 0.555 53 S N 0.226 115.918 115.700 -0.013 0.000 2.592 53 S HA 0.169 4.627 4.470 -0.018 0.000 0.271 53 S C 1.155 175.747 174.600 -0.014 0.000 1.326 53 S CA -0.269 57.923 58.200 -0.013 0.000 1.024 53 S CB 2.034 65.223 63.200 -0.017 0.000 0.921 53 S HN 0.534 nan 8.310 nan 0.000 0.527 54 E N 1.191 121.385 120.200 -0.011 0.000 2.070 54 E HA -0.147 4.192 4.350 -0.018 0.000 0.197 54 E C 0.640 177.232 176.600 -0.014 0.000 1.004 54 E CA 1.200 57.594 56.400 -0.009 0.000 0.805 54 E CB 0.059 29.755 29.700 -0.007 0.000 0.744 54 E HN 0.710 nan 8.360 nan 0.000 0.451 55 A N 0.648 123.457 122.820 -0.018 0.000 2.313 55 A HA 0.391 4.700 4.320 -0.018 0.000 0.323 55 A C -1.065 176.496 177.584 -0.037 0.000 1.133 55 A CA -0.629 51.392 52.037 -0.026 0.000 0.847 55 A CB 1.041 20.028 19.000 -0.021 0.000 1.308 55 A HN 0.226 nan 8.150 nan 0.000 0.475 56 E N 0.501 120.669 120.200 -0.053 0.000 2.152 56 E HA 0.403 4.742 4.350 -0.018 0.000 0.285 56 E C -1.052 175.512 176.600 -0.059 0.000 1.043 56 E CA -0.293 56.062 56.400 -0.076 0.000 0.839 56 E CB 0.840 30.465 29.700 -0.125 0.000 1.069 56 E HN 0.399 nan 8.360 nan 0.000 0.399 57 D N 3.210 123.580 120.400 -0.050 0.000 2.339 57 D HA 0.071 4.700 4.640 -0.018 0.000 0.241 57 D C -0.557 175.726 176.300 -0.029 0.000 1.183 57 D CA -0.601 53.383 54.000 -0.027 0.000 0.859 57 D CB 0.527 41.318 40.800 -0.015 0.000 1.067 57 D HN 0.202 nan 8.370 nan 0.000 0.484 58 R N 4.019 124.518 120.500 -0.001 0.000 2.370 58 R HA 0.306 4.635 4.340 -0.018 0.000 0.309 58 R C 0.106 176.464 176.300 0.096 0.000 1.059 58 R CA 0.022 56.138 56.100 0.027 0.000 0.981 58 R CB 0.361 30.724 30.300 0.106 0.000 0.972 58 R HN 0.509 nan 8.270 nan 0.000 0.437 59 R N 2.328 122.840 120.500 0.020 0.000 2.740 59 R HA 0.528 4.857 4.340 -0.018 0.000 0.282 59 R C -0.789 175.504 176.300 -0.012 0.000 0.969 59 R CA -0.698 55.452 56.100 0.083 0.000 0.918 59 R CB 1.612 31.921 30.300 0.015 0.000 1.175 59 R HN 0.248 nan 8.270 nan 0.000 0.464 60 F N 0.338 120.274 119.950 -0.023 0.000 2.576 60 F HA 0.498 5.014 4.527 -0.018 0.000 0.313 60 F C 0.141 175.934 175.800 -0.012 0.000 1.078 60 F CA -0.870 57.110 58.000 -0.034 0.000 0.921 60 F CB 2.027 40.993 39.000 -0.057 0.000 1.232 60 F HN 0.216 nan 8.300 nan 0.000 0.459 61 R N 1.708 122.281 120.500 0.122 0.000 2.514 61 R HA 0.890 5.218 4.340 -0.018 0.000 0.301 61 R C -2.022 174.319 176.300 0.068 0.000 0.962 61 R CA -0.521 55.655 56.100 0.127 0.000 0.882 61 R CB 1.601 31.988 30.300 0.146 0.000 1.143 61 R HN 0.550 nan 8.270 nan 0.000 0.452 62 V N 4.280 124.272 119.914 0.131 0.000 2.841 62 V HA 0.512 4.621 4.120 -0.018 0.000 0.310 62 V C -1.235 175.086 176.094 0.378 0.000 1.090 62 V CA -0.836 61.524 62.300 0.099 0.000 0.930 62 V CB 2.007 33.878 31.823 0.080 0.000 1.014 62 V HN 0.575 nan 8.190 nan 0.000 0.425 63 F N 3.822 123.924 119.950 0.253 0.000 2.375 63 F HA 0.613 5.129 4.527 -0.018 0.000 0.361 63 F C 0.127 176.022 175.800 0.158 0.000 1.117 63 F CA -1.695 56.453 58.000 0.247 0.000 1.037 63 F CB 1.177 40.376 39.000 0.330 0.000 1.192 63 F HN 0.203 nan 8.300 nan 0.000 0.452 64 I N 3.959 124.706 120.570 0.295 0.000 2.312 64 I HA 0.191 4.349 4.170 -0.018 0.000 0.290 64 I C -0.097 176.112 176.117 0.153 0.000 1.008 64 I CA -0.691 60.717 61.300 0.179 0.000 1.226 64 I CB 1.115 39.181 38.000 0.111 0.000 1.371 64 I HN 0.519 nan 8.210 nan 0.000 0.468 65 H N 6.008 125.106 119.070 0.047 0.000 2.482 65 H HA 0.301 4.846 4.556 -0.018 0.000 0.344 65 H C -1.047 174.278 175.328 -0.005 0.000 1.151 65 H CA -0.245 55.807 56.048 0.006 0.000 1.300 65 H CB 1.276 31.036 29.762 -0.004 0.000 1.494 65 H HN 0.492 nan 8.280 nan 0.000 0.542 66 D N 4.048 124.016 120.400 -0.720 0.000 2.481 66 D HA 0.075 4.704 4.640 -0.018 0.000 0.246 66 D C 0.990 176.849 176.300 -0.734 0.000 1.109 66 D CA -0.494 53.195 54.000 -0.519 0.000 0.845 66 D CB 1.419 42.066 40.800 -0.256 0.000 1.160 66 D HN 0.498 nan 8.370 nan 0.000 0.534 67 V N 2.188 121.834 119.914 -0.446 0.000 3.444 67 V HA -0.059 4.050 4.120 -0.018 0.000 0.271 67 V C 1.499 177.529 176.094 -0.108 0.000 1.188 67 V CA 1.624 63.803 62.300 -0.202 0.000 1.168 67 V CB -0.722 31.087 31.823 -0.022 0.000 0.810 67 V HN 0.479 nan 8.190 nan 0.000 0.500 68 S N -0.667 114.958 115.700 -0.126 0.000 2.535 68 S HA 0.476 4.935 4.470 -0.018 0.000 0.214 68 S C 1.698 176.257 174.600 -0.069 0.000 0.980 68 S CA 0.765 58.922 58.200 -0.072 0.000 0.907 68 S CB 0.509 63.673 63.200 -0.059 0.000 0.790 68 S HN 1.649 nan 8.310 nan 0.000 0.510 69 G N 0.751 109.492 108.800 -0.099 0.000 2.218 69 G HA2 -0.049 3.900 3.960 -0.018 0.000 0.216 69 G HA3 -0.049 3.900 3.960 -0.018 0.000 0.216 69 G C 0.363 175.217 174.900 -0.075 0.000 0.994 69 G CA -0.125 44.933 45.100 -0.069 0.000 0.637 69 G HN 1.191 nan 8.290 nan 0.000 0.505 70 A N 0.421 123.188 122.820 -0.088 0.000 2.429 70 A HA 0.623 4.932 4.320 -0.018 0.000 0.242 70 A C 0.891 178.423 177.584 -0.087 0.000 1.088 70 A CA 0.356 52.347 52.037 -0.077 0.000 0.784 70 A CB 0.161 19.117 19.000 -0.073 0.000 1.038 70 A HN 0.554 nan 8.150 nan 0.000 0.501 71 R N 1.184 121.639 120.500 -0.075 0.000 2.537 71 R HA 0.200 4.529 4.340 -0.018 0.000 0.280 71 R C -2.074 174.175 176.300 -0.085 0.000 1.058 71 R CA -0.905 55.145 56.100 -0.084 0.000 1.057 71 R CB 0.131 30.382 30.300 -0.082 0.000 0.973 71 R HN 0.611 nan 8.270 nan 0.000 0.438 72 P HA 0.065 nan 4.420 nan 0.000 0.279 72 P C -1.079 176.179 177.300 -0.071 0.000 1.282 72 P CA -0.300 62.761 63.100 -0.067 0.000 0.788 72 P CB 0.892 32.558 31.700 -0.057 0.000 1.139 73 Q N -1.132 118.659 119.800 -0.015 0.000 2.416 73 Q HA 0.384 4.713 4.340 -0.018 0.000 0.281 73 Q C -0.972 175.088 176.000 0.099 0.000 1.067 73 Q CA -0.681 55.128 55.803 0.009 0.000 0.809 73 Q CB 2.580 31.334 28.738 0.027 0.000 1.418 73 Q HN 0.434 nan 8.270 nan 0.000 0.411 74 E N 1.540 121.811 120.200 0.117 0.000 2.145 74 E HA 0.505 4.844 4.350 -0.018 0.000 0.270 74 E C -1.516 175.212 176.600 0.213 0.000 0.906 74 E CA -0.529 56.035 56.400 0.273 0.000 0.761 74 E CB 1.389 31.255 29.700 0.276 0.000 1.116 74 E HN 0.313 nan 8.360 nan 0.000 0.408 75 V N 3.095 123.150 119.914 0.235 0.000 2.789 75 V HA 0.446 4.555 4.120 -0.018 0.000 0.311 75 V C -0.209 175.978 176.094 0.155 0.000 1.073 75 V CA -0.852 61.541 62.300 0.155 0.000 0.921 75 V CB 2.021 33.914 31.823 0.116 0.000 1.009 75 V HN 0.843 nan 8.190 nan 0.000 0.426 76 T N 1.003 115.629 114.554 0.120 0.000 2.824 76 T HA 0.846 5.185 4.350 -0.018 0.000 0.282 76 T C -0.617 174.138 174.700 0.091 0.000 0.993 76 T CA -0.672 61.495 62.100 0.112 0.000 0.967 76 T CB 1.586 70.510 68.868 0.094 0.000 0.960 76 T HN 1.104 nan 8.240 nan 0.000 0.441 77 V N -0.408 119.569 119.914 0.104 0.000 3.040 77 V HA 0.913 5.022 4.120 -0.018 0.000 0.312 77 V C -0.277 175.877 176.094 0.099 0.000 1.115 77 V CA -0.944 61.404 62.300 0.081 0.000 0.998 77 V CB 1.830 33.687 31.823 0.057 0.000 1.042 77 V HN 1.052 nan 8.190 nan 0.000 0.433 78 S N 1.232 116.972 115.700 0.067 0.000 2.438 78 S HA 0.433 4.892 4.470 -0.018 0.000 0.316 78 S C 0.746 175.377 174.600 0.052 0.000 1.084 78 S CA -0.053 58.188 58.200 0.068 0.000 1.107 78 S CB 0.978 64.201 63.200 0.039 0.000 0.981 78 S HN 1.893 nan 8.310 nan 0.000 0.466 79 V N 3.706 123.665 119.914 0.075 0.000 2.809 79 V HA 0.014 4.123 4.120 -0.018 0.000 0.256 79 V C 1.923 178.024 176.094 0.010 0.000 1.080 79 V CA 1.805 64.112 62.300 0.011 0.000 1.102 79 V CB -1.647 30.161 31.823 -0.026 0.000 0.705 79 V HN 0.785 nan 8.190 nan 0.000 0.475 80 T N 1.645 116.216 114.554 0.028 0.000 2.737 80 T HA -0.072 4.267 4.350 -0.018 0.000 0.265 80 T C 1.682 176.385 174.700 0.006 0.000 1.038 80 T CA 1.965 64.073 62.100 0.014 0.000 1.144 80 T CB -0.402 68.474 68.868 0.014 0.000 0.866 80 T HN 0.562 nan 8.240 nan 0.000 0.434 81 N N 0.430 119.136 118.700 0.009 0.000 2.353 81 N HA 0.151 4.880 4.740 -0.018 0.000 0.185 81 N C 1.309 176.821 175.510 0.003 0.000 1.098 81 N CA 0.607 53.660 53.050 0.005 0.000 0.872 81 N CB 0.315 38.806 38.487 0.007 0.000 0.970 81 N HN 0.526 nan 8.380 nan 0.000 0.467 82 G N 1.681 110.482 108.800 0.001 0.000 2.273 82 G HA2 -0.272 3.677 3.960 -0.018 0.000 0.280 82 G HA3 -0.272 3.677 3.960 -0.018 0.000 0.280 82 G C 0.157 175.057 174.900 0.000 0.000 1.047 82 G CA 1.052 46.149 45.100 -0.005 0.000 0.869 82 G HN 0.515 nan 8.290 nan 0.000 0.502 83 T N -3.791 110.768 114.554 0.008 0.000 2.916 83 T HA 0.699 5.038 4.350 -0.018 0.000 0.292 83 T C -0.266 174.446 174.700 0.020 0.000 1.064 83 T CA -0.656 61.451 62.100 0.012 0.000 1.011 83 T CB 2.738 71.613 68.868 0.012 0.000 1.152 83 T HN 0.724 nan 8.240 nan 0.000 0.510 84 V N 2.846 122.772 119.914 0.021 0.000 2.385 84 V HA 0.276 4.385 4.120 -0.018 0.000 0.269 84 V C 1.267 177.379 176.094 0.030 0.000 1.043 84 V CA -0.414 61.904 62.300 0.029 0.000 0.906 84 V CB 0.281 32.120 31.823 0.027 0.000 0.995 84 V HN 0.876 nan 8.190 nan 0.000 0.467 85 I N 3.315 123.908 120.570 0.038 0.000 2.333 85 I HA -0.015 4.144 4.170 -0.018 0.000 0.246 85 I C 0.970 177.107 176.117 0.034 0.000 1.106 85 I CA 1.045 62.365 61.300 0.034 0.000 1.411 85 I CB 0.205 38.227 38.000 0.038 0.000 1.082 85 I HN 0.766 nan 8.210 nan 0.000 0.420 86 S N -0.128 115.599 115.700 0.045 0.000 2.550 86 S HA 0.806 5.265 4.470 -0.018 0.000 0.270 86 S C -0.887 173.746 174.600 0.055 0.000 1.145 86 S CA -0.668 57.559 58.200 0.045 0.000 0.852 86 S CB 2.375 65.603 63.200 0.047 0.000 1.119 86 S HN 0.170 nan 8.310 nan 0.000 0.465 87 A N 1.321 124.169 122.820 0.046 0.000 2.476 87 A HA 0.726 5.035 4.320 -0.018 0.000 0.280 87 A C -0.545 177.060 177.584 0.035 0.000 1.081 87 A CA -0.470 51.596 52.037 0.049 0.000 0.753 87 A CB 0.932 19.955 19.000 0.038 0.000 1.248 87 A HN 2.087 nan 8.150 nan 0.000 0.424 88 V N 0.147 120.085 119.914 0.039 0.000 2.604 88 V HA 0.748 4.857 4.120 -0.018 0.000 0.305 88 V C -0.237 175.850 176.094 -0.012 0.000 1.043 88 V CA -0.766 61.542 62.300 0.013 0.000 0.888 88 V CB 1.506 33.338 31.823 0.016 0.000 0.995 88 V HN 0.909 nan 8.190 nan 0.000 0.429 89 E N 3.116 123.296 120.200 -0.033 0.000 2.354 89 E HA 0.526 4.865 4.350 -0.018 0.000 0.269 89 E C -1.055 175.482 176.600 -0.105 0.000 1.036 89 E CA -0.485 55.879 56.400 -0.060 0.000 0.876 89 E CB 1.155 30.824 29.700 -0.052 0.000 1.009 89 E HN 0.777 nan 8.360 nan 0.000 0.416 90 L N 3.556 124.682 121.223 -0.161 0.000 2.295 90 L HA 0.271 4.600 4.340 -0.018 0.000 0.285 90 L C -0.156 176.578 176.870 -0.227 0.000 1.035 90 L CA -0.730 53.952 54.840 -0.263 0.000 0.806 90 L CB 1.336 43.117 42.059 -0.462 0.000 1.214 90 L HN 0.519 nan 8.230 nan 0.000 0.426 91 D N 1.575 121.848 120.400 -0.212 0.000 2.494 91 D HA 0.040 4.669 4.640 -0.018 0.000 0.217 91 D C 1.377 177.554 176.300 -0.205 0.000 1.153 91 D CA -0.211 53.690 54.000 -0.165 0.000 0.954 91 D CB 0.991 41.721 40.800 -0.116 0.000 1.034 91 D HN 0.684 nan 8.370 nan 0.000 0.518 92 T N 0.413 114.835 114.554 -0.221 0.000 2.759 92 T HA -0.187 4.152 4.350 -0.018 0.000 0.269 92 T C 1.892 176.504 174.700 -0.146 0.000 1.042 92 T CA 1.048 63.006 62.100 -0.236 0.000 1.140 92 T CB -0.198 68.549 68.868 -0.202 0.000 0.864 92 T HN 0.236 nan 8.240 nan 0.000 0.455 93 A N 1.118 123.878 122.820 -0.101 0.000 2.125 93 A HA 0.415 4.724 4.320 -0.018 0.000 0.219 93 A C 2.515 180.076 177.584 -0.038 0.000 1.156 93 A CA 1.652 53.653 52.037 -0.060 0.000 0.671 93 A CB -0.945 18.025 19.000 -0.051 0.000 0.794 93 A HN 0.809 nan 8.150 nan 0.000 0.459 94 A N -1.092 121.695 122.820 -0.055 0.000 2.010 94 A HA 0.174 4.483 4.320 -0.018 0.000 0.210 94 A C 2.147 179.743 177.584 0.021 0.000 1.479 94 A CA 1.503 53.529 52.037 -0.018 0.000 0.748 94 A CB -0.737 18.239 19.000 -0.041 0.000 1.125 94 A HN 0.651 nan 8.150 nan 0.000 0.522 95 T N -2.818 111.660 114.554 -0.127 0.000 3.129 95 T HA 0.462 4.801 4.350 -0.018 0.000 0.251 95 T C 0.853 175.170 174.700 -0.639 0.000 1.117 95 T CA 0.875 62.798 62.100 -0.296 0.000 1.034 95 T CB -0.229 68.486 68.868 -0.255 0.000 0.968 95 T HN 1.952 nan 8.240 nan 0.000 0.526 96 G N 0.751 109.329 108.800 -0.370 0.000 2.640 96 G HA2 0.067 4.016 3.960 -0.018 0.000 0.686 96 G HA3 0.067 4.016 3.960 -0.018 0.000 0.686 96 G C -1.086 173.650 174.900 -0.274 0.000 1.229 96 G CA -1.077 43.857 45.100 -0.277 0.000 0.796 96 G HN 0.211 nan 8.290 nan 0.000 0.654 97 E N 0.162 120.274 120.200 -0.147 0.000 2.371 97 E HA 0.458 4.797 4.350 -0.018 0.000 0.257 97 E C 1.174 177.722 176.600 -0.087 0.000 1.134 97 E CA -0.407 55.908 56.400 -0.142 0.000 0.919 97 E CB 0.925 30.564 29.700 -0.103 0.000 1.025 97 E HN 0.492 nan 8.360 nan 0.000 0.438 98 L N 1.984 123.163 121.223 -0.074 0.000 2.466 98 L HA 0.211 4.540 4.340 -0.018 0.000 0.257 98 L C -1.935 174.945 176.870 0.017 0.000 1.189 98 L CA -1.812 53.058 54.840 0.050 0.000 0.813 98 L CB -0.145 41.958 42.059 0.073 0.000 1.118 98 L HN 0.163 nan 8.230 nan 0.000 0.471 99 P HA -0.030 nan 4.420 nan 0.000 0.266 99 P C -0.669 176.590 177.300 -0.069 0.000 1.193 99 P CA -0.231 62.884 63.100 0.026 0.000 0.770 99 P CB 0.368 32.136 31.700 0.113 0.000 0.836 100 V N 3.719 123.553 119.914 -0.133 0.000 2.673 100 V HA -0.065 4.044 4.120 -0.018 0.000 0.303 100 V C 0.705 176.666 176.094 -0.222 0.000 1.046 100 V CA 0.240 62.373 62.300 -0.280 0.000 1.126 100 V CB -0.234 31.335 31.823 -0.423 0.000 0.934 100 V HN 0.304 nan 8.190 nan 0.000 0.487 101 L N 3.671 124.697 121.223 -0.328 0.000 2.326 101 L HA 0.256 4.585 4.340 -0.018 0.000 0.278 101 L C 1.515 178.287 176.870 -0.163 0.000 1.092 101 L CA 0.448 55.173 54.840 -0.191 0.000 0.810 101 L CB 0.518 42.452 42.059 -0.208 0.000 1.153 101 L HN 0.805 nan 8.230 nan 0.000 0.439 102 E N 1.812 122.095 120.200 0.137 0.000 2.160 102 E HA -0.255 4.084 4.350 -0.018 0.000 0.195 102 E C 1.333 178.104 176.600 0.284 0.000 0.991 102 E CA 1.606 58.265 56.400 0.431 0.000 0.810 102 E CB 0.308 30.250 29.700 0.404 0.000 0.742 102 E HN 0.793 nan 8.360 nan 0.000 0.466 103 E N -0.076 120.183 120.200 0.098 0.000 2.347 103 E HA -0.167 4.172 4.350 -0.018 0.000 0.196 103 E C 1.490 178.108 176.600 0.030 0.000 1.008 103 E CA 0.789 57.238 56.400 0.082 0.000 0.852 103 E CB -0.031 29.698 29.700 0.048 0.000 0.783 103 E HN 0.361 nan 8.360 nan 0.000 0.505 104 E N 0.053 120.192 120.200 -0.102 0.000 2.216 104 E HA -0.055 4.284 4.350 -0.018 0.000 0.192 104 E C 1.362 177.899 176.600 -0.106 0.000 0.988 104 E CA 0.484 56.788 56.400 -0.161 0.000 0.834 104 E CB -0.099 29.416 29.700 -0.309 0.000 0.772 104 E HN 0.260 nan 8.360 nan 0.000 0.479 105 F N 2.074 122.070 119.950 0.076 0.000 2.134 105 F HA -0.165 4.351 4.527 -0.018 0.000 0.299 105 F C 2.388 178.232 175.800 0.073 0.000 1.097 105 F CA 1.493 59.550 58.000 0.094 0.000 1.264 105 F CB -0.503 38.584 39.000 0.144 0.000 1.001 105 F HN 0.093 nan 8.300 nan 0.000 0.479 106 E N -0.152 120.200 120.200 0.252 0.000 2.347 106 E HA -0.092 4.247 4.350 -0.018 0.000 0.196 106 E C 1.993 178.648 176.600 0.092 0.000 1.008 106 E CA 1.109 57.604 56.400 0.158 0.000 0.852 106 E CB -0.637 29.148 29.700 0.142 0.000 0.783 106 E HN 0.265 nan 8.360 nan 0.000 0.505 107 V N 1.476 121.431 119.914 0.069 0.000 2.343 107 V HA -0.244 3.865 4.120 -0.018 0.000 0.247 107 V C 2.446 178.538 176.094 -0.003 0.000 1.051 107 V CA 1.410 63.725 62.300 0.025 0.000 1.036 107 V CB -0.204 31.621 31.823 0.003 0.000 0.654 107 V HN 0.206 nan 8.190 nan 0.000 0.451 108 V N 0.036 119.953 119.914 0.005 0.000 2.219 108 V HA -0.360 3.749 4.120 -0.018 0.000 0.248 108 V C 2.438 178.468 176.094 -0.106 0.000 1.053 108 V CA 2.593 64.864 62.300 -0.049 0.000 1.009 108 V CB -0.706 31.117 31.823 0.000 0.000 0.636 108 V HN 0.645 nan 8.190 nan 0.000 0.445 109 E N -0.501 119.673 120.200 -0.045 0.000 2.118 109 E HA -0.288 4.051 4.350 -0.018 0.000 0.195 109 E C 2.303 178.868 176.600 -0.057 0.000 0.992 109 E CA 1.649 58.015 56.400 -0.056 0.000 0.804 109 E CB -0.081 29.637 29.700 0.030 0.000 0.741 109 E HN 0.695 nan 8.360 nan 0.000 0.458 110 Q N 0.233 120.020 119.800 -0.022 0.000 2.002 110 Q HA -0.184 4.145 4.340 -0.018 0.000 0.204 110 Q C 2.492 178.468 176.000 -0.040 0.000 0.988 110 Q CA 1.547 57.344 55.803 -0.010 0.000 0.843 110 Q CB -0.160 28.584 28.738 0.010 0.000 0.908 110 Q HN 0.358 nan 8.270 nan 0.000 0.420 111 L N 0.435 121.618 121.223 -0.067 0.000 1.989 111 L HA -0.246 4.083 4.340 -0.018 0.000 0.211 111 L C 2.406 179.196 176.870 -0.132 0.000 1.071 111 L CA 1.144 55.934 54.840 -0.083 0.000 0.749 111 L CB -0.470 41.534 42.059 -0.092 0.000 0.890 111 L HN 0.307 nan 8.230 nan 0.000 0.431 112 L N -0.532 120.529 121.223 -0.269 0.000 2.127 112 L HA -0.225 4.104 4.340 -0.018 0.000 0.211 112 L C 2.759 179.504 176.870 -0.208 0.000 1.089 112 L CA 1.034 55.577 54.840 -0.495 0.000 0.757 112 L CB -0.710 40.625 42.059 -1.208 0.000 0.899 112 L HN 0.280 nan 8.230 nan 0.000 0.434 113 A N -0.223 122.560 122.820 -0.061 0.000 2.070 113 A HA -0.174 4.135 4.320 -0.018 0.000 0.220 113 A C 2.195 179.837 177.584 0.097 0.000 1.159 113 A CA 2.010 54.107 52.037 0.100 0.000 0.656 113 A CB -0.668 18.374 19.000 0.071 0.000 0.800 113 A HN 0.523 nan 8.150 nan 0.000 0.453 114 T N -3.372 111.209 114.554 0.044 0.000 3.069 114 T HA 0.144 4.483 4.350 -0.018 0.000 0.252 114 T C 0.203 174.932 174.700 0.049 0.000 1.053 114 T CA 0.053 62.179 62.100 0.044 0.000 0.964 114 T CB -0.104 68.776 68.868 0.021 0.000 1.005 114 T HN 0.348 nan 8.240 nan 0.000 0.532 115 D N 1.383 121.823 120.400 0.067 0.000 2.249 115 D HA 0.139 4.768 4.640 -0.018 0.000 0.246 115 D C 0.606 176.981 176.300 0.124 0.000 1.114 115 D CA -0.151 53.895 54.000 0.077 0.000 0.854 115 D CB 1.496 42.329 40.800 0.056 0.000 1.132 115 D HN 0.286 nan 8.370 nan 0.000 0.461 116 E N 2.648 122.895 120.200 0.079 0.000 2.110 116 E HA -0.190 4.149 4.350 -0.018 0.000 0.193 116 E C 1.839 178.484 176.600 0.074 0.000 0.988 116 E CA 0.989 57.428 56.400 0.067 0.000 0.804 116 E CB 0.321 30.044 29.700 0.038 0.000 0.745 116 E HN 0.445 nan 8.360 nan 0.000 0.458 117 R N 0.082 120.634 120.500 0.086 0.000 2.081 117 R HA -0.119 4.210 4.340 -0.018 0.000 0.235 117 R C 2.196 178.572 176.300 0.126 0.000 1.131 117 R CA 1.317 57.465 56.100 0.080 0.000 0.960 117 R CB -0.306 30.036 30.300 0.071 0.000 0.856 117 R HN 0.402 nan 8.270 nan 0.000 0.436 118 W N 1.438 122.720 121.300 -0.031 0.000 2.379 118 W HA -0.138 4.511 4.660 -0.018 0.000 0.307 118 W C 1.456 177.964 176.519 -0.019 0.000 1.200 118 W CA 1.222 58.551 57.345 -0.028 0.000 1.297 118 W CB -0.112 29.335 29.460 -0.023 0.000 1.140 118 W HN 0.081 nan 8.180 nan 0.000 0.507 119 L N 0.808 122.109 121.223 0.130 0.000 2.046 119 L HA -0.249 4.079 4.340 -0.018 0.000 0.208 119 L C 2.545 179.380 176.870 -0.058 0.000 1.077 119 L CA 1.539 56.390 54.840 0.019 0.000 0.747 119 L CB -0.860 41.239 42.059 0.067 0.000 0.896 119 L HN -0.125 nan 8.230 nan 0.000 0.432 120 K N 0.046 120.426 120.400 -0.033 0.000 2.097 120 K HA -0.127 4.182 4.320 -0.018 0.000 0.206 120 K C 2.239 178.781 176.600 -0.098 0.000 1.049 120 K CA 1.269 57.526 56.287 -0.050 0.000 0.933 120 K CB -0.227 32.258 32.500 -0.025 0.000 0.717 120 K HN 0.288 nan 8.250 nan 0.000 0.442 121 A N 1.391 124.121 122.820 -0.149 0.000 1.898 121 A HA -0.110 4.199 4.320 -0.018 0.000 0.216 121 A C 2.090 179.516 177.584 -0.264 0.000 1.181 121 A CA 1.171 53.080 52.037 -0.213 0.000 0.620 121 A CB -0.519 18.303 19.000 -0.298 0.000 0.819 121 A HN 0.136 nan 8.150 nan 0.000 0.442 122 L N -0.970 120.051 121.223 -0.336 0.000 2.072 122 L HA -0.125 4.204 4.340 -0.018 0.000 0.205 122 L C 3.094 179.868 176.870 -0.160 0.000 1.079 122 L CA 0.952 55.619 54.840 -0.289 0.000 0.752 122 L CB -0.644 41.226 42.059 -0.314 0.000 0.906 122 L HN 0.427 nan 8.230 nan 0.000 0.436 123 A N 0.397 123.144 122.820 -0.121 0.000 1.902 123 A HA -0.174 4.135 4.320 -0.018 0.000 0.217 123 A C 2.506 180.047 177.584 -0.071 0.000 1.181 123 A CA 1.684 53.675 52.037 -0.076 0.000 0.623 123 A CB -0.666 18.301 19.000 -0.054 0.000 0.818 123 A HN 0.394 nan 8.150 nan 0.000 0.443 124 A N -0.536 122.235 122.820 -0.081 0.000 2.070 124 A HA -0.122 4.187 4.320 -0.018 0.000 0.220 124 A C 2.064 179.608 177.584 -0.068 0.000 1.159 124 A CA 1.458 53.454 52.037 -0.069 0.000 0.656 124 A CB -0.328 18.629 19.000 -0.071 0.000 0.800 124 A HN 0.564 nan 8.150 nan 0.000 0.453 125 R N -0.942 119.508 120.500 -0.083 0.000 2.432 125 R HA 0.118 4.447 4.340 -0.018 0.000 0.260 125 R C -0.288 175.974 176.300 -0.062 0.000 0.935 125 R CA 0.104 56.161 56.100 -0.072 0.000 1.080 125 R CB 0.217 30.462 30.300 -0.092 0.000 1.155 125 R HN 0.439 nan 8.270 nan 0.000 0.531 126 N N 0.976 119.640 118.700 -0.060 0.000 2.735 126 N HA -0.181 4.548 4.740 -0.018 0.000 0.248 126 N C -0.984 174.496 175.510 -0.050 0.000 1.083 126 N CA 0.983 54.005 53.050 -0.048 0.000 0.703 126 N CB -1.353 37.112 38.487 -0.036 0.000 1.005 126 N HN 0.283 nan 8.380 nan 0.000 0.550 127 L N 0.220 121.403 121.223 -0.067 0.000 2.317 127 L HA 0.351 4.680 4.340 -0.018 0.000 0.281 127 L C 0.583 177.423 176.870 -0.051 0.000 1.024 127 L CA -0.883 53.918 54.840 -0.065 0.000 0.810 127 L CB 1.481 43.485 42.059 -0.091 0.000 1.240 127 L HN -0.096 nan 8.230 nan 0.000 0.427 128 D N 2.013 122.395 120.400 -0.030 0.000 2.325 128 D HA 0.029 4.658 4.640 -0.018 0.000 0.251 128 D C 0.812 177.115 176.300 0.005 0.000 1.196 128 D CA -0.064 53.930 54.000 -0.010 0.000 0.866 128 D CB 1.827 42.626 40.800 -0.001 0.000 1.101 128 D HN 0.286 nan 8.370 nan 0.000 0.476 129 V N 3.979 123.905 119.914 0.019 0.000 2.370 129 V HA -0.283 3.826 4.120 -0.018 0.000 0.252 129 V C 2.022 178.162 176.094 0.076 0.000 1.068 129 V CA 3.062 65.401 62.300 0.065 0.000 1.061 129 V CB -0.618 31.263 31.823 0.098 0.000 0.656 129 V HN 0.754 nan 8.190 nan 0.000 0.455 130 S N -1.092 114.639 115.700 0.052 0.000 2.469 130 S HA -0.136 4.323 4.470 -0.018 0.000 0.238 130 S C 1.700 176.324 174.600 0.040 0.000 0.998 130 S CA 1.310 59.539 58.200 0.048 0.000 0.957 130 S CB -0.403 62.819 63.200 0.037 0.000 0.764 130 S HN 0.768 nan 8.310 nan 0.000 0.514 131 K N 0.630 121.049 120.400 0.032 0.000 2.358 131 K HA 0.303 4.612 4.320 -0.018 0.000 0.200 131 K C -0.756 175.858 176.600 0.023 0.000 1.030 131 K CA -0.059 56.239 56.287 0.018 0.000 1.097 131 K CB 1.037 33.540 32.500 0.005 0.000 0.862 131 K HN 0.215 nan 8.250 nan 0.000 0.534 132 V N 3.433 123.380 119.914 0.055 0.000 2.348 132 V HA 0.208 4.317 4.120 -0.018 0.000 0.270 132 V C 0.177 176.345 176.094 0.124 0.000 1.037 132 V CA -0.757 61.595 62.300 0.087 0.000 0.872 132 V CB 0.770 32.659 31.823 0.110 0.000 1.002 132 V HN 0.150 nan 8.190 nan 0.000 0.464 133 R N 3.255 123.811 120.500 0.093 0.000 2.459 133 R HA 0.610 4.939 4.340 -0.018 0.000 0.281 133 R C -0.745 175.658 176.300 0.172 0.000 1.050 133 R CA -0.475 55.672 56.100 0.079 0.000 1.055 133 R CB 1.787 32.065 30.300 -0.037 0.000 1.045 133 R HN 0.443 nan 8.270 nan 0.000 0.495 134 V N 1.677 121.688 119.914 0.162 0.000 2.444 134 V HA 0.411 4.520 4.120 -0.018 0.000 0.294 134 V C -0.068 176.159 176.094 0.222 0.000 1.022 134 V CA -1.136 61.296 62.300 0.220 0.000 0.850 134 V CB 1.731 33.628 31.823 0.123 0.000 0.992 134 V HN 0.839 nan 8.190 nan 0.000 0.426 135 A N 7.727 130.756 122.820 0.348 0.000 2.310 135 A HA 0.661 4.970 4.320 -0.018 0.000 0.300 135 A C -2.275 175.527 177.584 0.364 0.000 1.269 135 A CA -1.412 50.852 52.037 0.377 0.000 0.909 135 A CB 0.138 19.506 19.000 0.614 0.000 1.144 135 A HN 0.580 nan 8.150 nan 0.000 0.540 136 P HA 0.355 nan 4.420 nan 0.000 0.286 136 P C -0.826 176.736 177.300 0.437 0.000 1.321 136 P CA 0.198 63.511 63.100 0.356 0.000 0.790 136 P CB 0.690 32.666 31.700 0.460 0.000 0.897 137 L N 2.296 123.738 121.223 0.365 0.000 2.322 137 L HA 0.441 4.770 4.340 -0.018 0.000 0.269 137 L C 1.066 178.098 176.870 0.270 0.000 1.012 137 L CA -1.080 53.980 54.840 0.366 0.000 0.815 137 L CB 1.662 43.919 42.059 0.331 0.000 1.295 137 L HN 0.313 nan 8.230 nan 0.000 0.438 138 S N 0.275 116.125 115.700 0.251 0.000 2.558 138 S HA 0.153 4.612 4.470 -0.018 0.000 0.288 138 S C 0.822 175.505 174.600 0.138 0.000 1.318 138 S CA -0.036 58.227 58.200 0.105 0.000 1.056 138 S CB 1.310 64.547 63.200 0.062 0.000 0.853 138 S HN 0.742 nan 8.310 nan 0.000 0.505 139 A N 3.331 126.167 122.820 0.026 0.000 1.984 139 A HA 0.543 4.852 4.320 -0.018 0.000 0.214 139 A C 1.588 179.285 177.584 0.189 0.000 1.173 139 A CA 0.690 52.709 52.037 -0.030 0.000 0.673 139 A CB -1.522 17.385 19.000 -0.154 0.000 0.830 139 A HN 2.322 nan 8.150 nan 0.000 0.453 140 G N -1.730 107.165 108.800 0.160 0.000 2.645 140 G HA2 -0.075 3.874 3.960 -0.018 0.000 0.239 140 G HA3 -0.075 3.874 3.960 -0.018 0.000 0.239 140 G C -0.360 174.524 174.900 -0.026 0.000 1.331 140 G CA -0.185 44.995 45.100 0.133 0.000 0.890 140 G HN 1.097 nan 8.290 nan 0.000 0.572 141 V N 0.979 120.688 119.914 -0.342 0.000 2.443 141 V HA 0.759 4.868 4.120 -0.018 0.000 0.293 141 V C -0.160 175.469 176.094 -0.774 0.000 1.021 141 V CA -0.286 61.793 62.300 -0.368 0.000 0.848 141 V CB 1.126 32.770 31.823 -0.299 0.000 0.998 141 V HN 0.699 nan 8.190 nan 0.000 0.424 142 F N 1.747 121.682 119.950 -0.024 0.000 3.345 142 F HA 0.481 4.997 4.527 -0.018 0.000 0.253 142 F C 1.184 176.873 175.800 -0.185 0.000 1.576 142 F CA -0.641 57.307 58.000 -0.087 0.000 0.970 142 F CB 0.492 39.447 39.000 -0.074 0.000 1.808 142 F HN 0.428 nan 8.300 nan 0.000 0.354 143 E N 0.571 120.668 120.200 -0.171 0.000 2.496 143 E HA 0.091 4.430 4.350 -0.018 0.000 0.202 143 E C -1.425 174.967 176.600 -0.347 0.000 1.021 143 E CA -0.035 56.206 56.400 -0.264 0.000 1.015 143 E CB -0.750 28.814 29.700 -0.227 0.000 1.102 143 E HN 0.437 nan 8.360 nan 0.000 0.452 144 Y N 0.907 121.252 120.300 0.075 0.000 2.594 144 Y HA 0.477 5.016 4.550 -0.018 0.000 0.342 144 Y C 1.554 177.469 175.900 0.025 0.000 1.010 144 Y CA -0.427 57.704 58.100 0.052 0.000 1.270 144 Y CB 1.216 39.697 38.460 0.036 0.000 1.125 144 Y HN 0.123 nan 8.280 nan 0.000 0.513 145 A N 2.675 125.575 122.820 0.134 0.000 1.917 145 A HA -0.245 4.064 4.320 -0.018 0.000 0.219 145 A C 2.229 179.857 177.584 0.073 0.000 1.182 145 A CA 2.042 54.124 52.037 0.076 0.000 0.633 145 A CB -0.330 18.703 19.000 0.055 0.000 0.819 145 A HN 0.774 nan 8.150 nan 0.000 0.448 146 E N 0.750 121.006 120.200 0.093 0.000 2.209 146 E HA -0.243 4.096 4.350 -0.018 0.000 0.196 146 E C 1.280 177.906 176.600 0.043 0.000 0.993 146 E CA 1.574 58.010 56.400 0.060 0.000 0.819 146 E CB -0.654 29.081 29.700 0.058 0.000 0.745 146 E HN 0.775 nan 8.360 nan 0.000 0.477 147 E N 0.749 120.987 120.200 0.063 0.000 2.478 147 E HA -0.022 4.317 4.350 -0.018 0.000 0.198 147 E C 0.235 176.840 176.600 0.008 0.000 1.046 147 E CA -0.091 56.326 56.400 0.027 0.000 0.870 147 E CB -0.108 29.617 29.700 0.041 0.000 0.818 147 E HN 0.205 nan 8.360 nan 0.000 0.527 148 R N 0.390 120.897 120.500 0.012 0.000 2.446 148 R HA 0.082 4.411 4.340 -0.018 0.000 0.314 148 R C 0.922 177.213 176.300 -0.015 0.000 1.003 148 R CA 0.689 56.786 56.100 -0.005 0.000 1.018 148 R CB 0.186 30.484 30.300 -0.003 0.000 0.945 148 R HN 0.247 nan 8.270 nan 0.000 0.419 149 G N 2.833 111.617 108.800 -0.027 0.000 2.148 149 G HA2 -0.331 3.618 3.960 -0.018 0.000 0.254 149 G HA3 -0.331 3.618 3.960 -0.018 0.000 0.254 149 G C -0.012 174.869 174.900 -0.032 0.000 0.981 149 G CA -0.074 45.005 45.100 -0.034 0.000 0.670 149 G HN 0.545 nan 8.290 nan 0.000 0.528 150 R N -0.552 119.929 120.500 -0.030 0.000 2.589 150 R HA 0.583 4.912 4.340 -0.018 0.000 0.293 150 R C 0.120 176.394 176.300 -0.043 0.000 0.963 150 R CA -0.992 55.089 56.100 -0.031 0.000 0.905 150 R CB 1.479 31.763 30.300 -0.026 0.000 1.144 150 R HN 0.153 nan 8.270 nan 0.000 0.459 151 R N 3.475 123.949 120.500 -0.042 0.000 2.235 151 R HA 0.238 4.567 4.340 -0.018 0.000 0.338 151 R C -0.427 175.827 176.300 -0.077 0.000 1.087 151 R CA -0.209 55.853 56.100 -0.062 0.000 0.948 151 R CB 0.255 30.528 30.300 -0.045 0.000 1.099 151 R HN 0.419 nan 8.270 nan 0.000 0.483 152 I N 5.033 125.548 120.570 -0.092 0.000 2.707 152 I HA 0.437 4.595 4.170 -0.018 0.000 0.309 152 I C -0.019 176.026 176.117 -0.120 0.000 1.001 152 I CA -0.964 60.271 61.300 -0.108 0.000 1.129 152 I CB 1.702 39.620 38.000 -0.137 0.000 1.308 152 I HN 0.571 nan 8.210 nan 0.000 0.466 153 L N 4.176 125.330 121.223 -0.114 0.000 2.445 153 L HA 0.497 4.826 4.340 -0.018 0.000 0.262 153 L C -0.513 176.290 176.870 -0.111 0.000 0.974 153 L CA -0.747 54.044 54.840 -0.082 0.000 0.822 153 L CB 2.736 44.780 42.059 -0.025 0.000 1.339 153 L HN 0.512 nan 8.230 nan 0.000 0.409 154 R N 1.139 121.544 120.500 -0.158 0.000 2.445 154 R HA 0.622 4.951 4.340 -0.018 0.000 0.308 154 R C -0.138 176.163 176.300 0.002 0.000 0.961 154 R CA -0.660 55.307 56.100 -0.222 0.000 0.862 154 R CB 2.012 31.782 30.300 -0.883 0.000 1.144 154 R HN 0.733 nan 8.270 nan 0.000 0.447 155 G N 3.220 112.051 108.800 0.051 0.000 2.379 155 G HA2 0.567 4.516 3.960 -0.018 0.000 0.327 155 G HA3 0.567 4.516 3.960 -0.018 0.000 0.327 155 G C -0.686 174.385 174.900 0.286 0.000 1.145 155 G CA -0.609 44.580 45.100 0.147 0.000 0.905 155 G HN 0.312 nan 8.290 nan 0.000 0.466 156 L N 1.387 122.854 121.223 0.406 0.000 2.346 156 L HA 0.689 5.018 4.340 -0.018 0.000 0.276 156 L C 0.526 177.573 176.870 0.295 0.000 1.006 156 L CA -1.007 54.067 54.840 0.390 0.000 0.817 156 L CB 2.161 44.532 42.059 0.519 0.000 1.272 156 L HN 0.619 nan 8.230 nan 0.000 0.421 157 A N 2.861 125.743 122.820 0.103 0.000 2.303 157 A HA 0.843 5.152 4.320 -0.018 0.000 0.317 157 A C -1.165 176.156 177.584 -0.438 0.000 1.149 157 A CA -0.150 51.909 52.037 0.036 0.000 0.822 157 A CB 0.479 19.541 19.000 0.103 0.000 1.131 157 A HN 0.507 nan 8.150 nan 0.000 0.493 158 F N 0.551 120.493 119.950 -0.014 0.000 2.591 158 F HA 0.454 4.970 4.527 -0.018 0.000 0.309 158 F C -0.165 175.594 175.800 -0.068 0.000 1.098 158 F CA -0.665 57.279 58.000 -0.094 0.000 0.937 158 F CB 2.334 41.162 39.000 -0.288 0.000 1.250 158 F HN 0.330 nan 8.300 nan 0.000 0.447 159 V N 2.371 122.375 119.914 0.149 0.000 2.509 159 V HA 0.377 4.485 4.120 -0.018 0.000 0.284 159 V C -0.479 175.663 176.094 0.081 0.000 1.047 159 V CA -0.580 61.764 62.300 0.072 0.000 0.952 159 V CB 1.494 33.318 31.823 0.001 0.000 0.988 159 V HN 0.757 nan 8.190 nan 0.000 0.469 160 Q N 2.713 122.509 119.800 -0.008 0.000 2.363 160 Q HA 0.259 4.588 4.340 -0.018 0.000 0.265 160 Q C -0.019 175.926 176.000 -0.092 0.000 1.032 160 Q CA -0.612 55.145 55.803 -0.076 0.000 0.746 160 Q CB 1.358 30.020 28.738 -0.128 0.000 1.237 160 Q HN 0.776 nan 8.270 nan 0.000 0.475 161 D N 3.513 123.843 120.400 -0.118 0.000 2.178 161 D HA -0.020 4.609 4.640 -0.018 0.000 0.202 161 D C 0.167 176.566 176.300 0.164 0.000 0.974 161 D CA 1.287 55.297 54.000 0.016 0.000 0.841 161 D CB 0.130 41.012 40.800 0.137 0.000 0.953 161 D HN 0.438 nan 8.370 nan 0.000 0.478 162 F N -4.130 115.814 119.950 -0.009 0.000 2.711 162 F HA 0.400 4.916 4.527 -0.018 0.000 0.313 162 F C -2.423 173.365 175.800 -0.020 0.000 1.141 162 F CA -2.273 55.716 58.000 -0.017 0.000 0.941 162 F CB 0.472 39.456 39.000 -0.026 0.000 1.349 162 F HN -0.418 nan 8.300 nan 0.000 0.464 163 P HA -0.182 nan 4.420 nan 0.000 0.218 163 P C 0.422 177.708 177.300 -0.024 0.000 1.154 163 P CA 2.342 65.470 63.100 0.047 0.000 0.872 163 P CB 0.145 31.902 31.700 0.094 0.000 0.790 164 E N -1.628 118.595 120.200 0.038 0.000 2.463 164 E HA 0.041 4.380 4.350 -0.018 0.000 0.193 164 E C 0.074 176.487 176.600 -0.312 0.000 1.041 164 E CA -0.253 56.123 56.400 -0.041 0.000 0.879 164 E CB -0.137 29.638 29.700 0.126 0.000 0.997 164 E HN 0.289 nan 8.360 nan 0.000 0.478 165 D N 0.882 120.786 120.400 -0.826 0.000 2.382 165 D HA -0.013 4.616 4.640 -0.018 0.000 0.245 165 D C -0.484 175.555 176.300 -0.435 0.000 1.120 165 D CA 0.129 53.553 54.000 -0.960 0.000 0.890 165 D CB 1.072 41.024 40.800 -1.414 0.000 1.201 165 D HN -0.174 nan 8.370 nan 0.000 0.433 166 S N 2.540 118.060 115.700 -0.300 0.000 2.405 166 S HA 0.391 4.850 4.470 -0.018 0.000 0.291 166 S C 1.076 175.564 174.600 -0.187 0.000 1.137 166 S CA -0.229 57.864 58.200 -0.178 0.000 1.061 166 S CB 0.279 63.423 63.200 -0.092 0.000 1.001 166 S HN 0.511 nan 8.310 nan 0.000 0.507 167 A N 5.054 127.665 122.820 -0.348 0.000 2.070 167 A HA -0.017 4.292 4.320 -0.018 0.000 0.220 167 A C 1.438 178.851 177.584 -0.284 0.000 1.159 167 A CA 0.814 52.671 52.037 -0.301 0.000 0.656 167 A CB -0.731 18.015 19.000 -0.422 0.000 0.800 167 A HN 0.999 nan 8.150 nan 0.000 0.453 168 W N -0.137 121.064 121.300 -0.165 0.000 2.387 168 W HA -0.049 4.600 4.660 -0.018 0.000 0.272 168 W C 2.350 178.941 176.519 0.120 0.000 1.224 168 W CA 0.787 58.013 57.345 -0.197 0.000 1.210 168 W CB -0.119 29.225 29.460 -0.193 0.000 1.125 168 W HN 0.378 nan 8.180 nan 0.000 0.572 169 A N -0.801 122.164 122.820 0.241 0.000 2.167 169 A HA -0.044 4.265 4.320 -0.018 0.000 0.214 169 A C 0.545 177.986 177.584 -0.238 0.000 1.151 169 A CA 0.748 52.849 52.037 0.107 0.000 0.735 169 A CB -0.543 18.443 19.000 -0.024 0.000 0.802 169 A HN 0.317 nan 8.150 nan 0.000 0.467 170 H N -0.043 119.160 119.070 0.223 0.000 2.386 170 H HA 0.249 4.794 4.556 -0.018 0.000 0.232 170 H C -2.911 172.478 175.328 0.102 0.000 1.416 170 H CA -2.358 53.769 56.048 0.132 0.000 1.285 170 H CB -0.253 29.558 29.762 0.083 0.000 1.625 170 H HN 0.353 nan 8.280 nan 0.000 0.521 171 P HA 0.012 nan 4.420 nan 0.000 0.271 171 P C 0.327 177.486 177.300 -0.235 0.000 1.218 171 P CA -0.280 62.667 63.100 -0.255 0.000 0.780 171 P CB 2.000 33.581 31.700 -0.198 0.000 0.901 172 V N 3.465 123.158 119.914 -0.369 0.000 2.240 172 V HA 0.124 4.233 4.120 -0.018 0.000 0.265 172 V C 0.709 176.662 176.094 -0.234 0.000 1.073 172 V CA -0.321 61.845 62.300 -0.222 0.000 0.857 172 V CB 0.051 31.748 31.823 -0.211 0.000 1.114 172 V HN 0.542 nan 8.190 nan 0.000 0.469 173 D N 2.880 123.137 120.400 -0.240 0.000 2.361 173 D HA 0.322 4.951 4.640 -0.018 0.000 0.239 173 D C 1.343 177.465 176.300 -0.295 0.000 1.200 173 D CA 1.588 55.340 54.000 -0.414 0.000 0.915 173 D CB 1.610 41.918 40.800 -0.820 0.000 1.170 173 D HN 0.737 nan 8.370 nan 0.000 0.444 174 G N 0.529 109.123 108.800 -0.344 0.000 2.148 174 G HA2 -0.225 3.724 3.960 -0.018 0.000 0.254 174 G HA3 -0.225 3.724 3.960 -0.018 0.000 0.254 174 G C -0.097 174.825 174.900 0.036 0.000 0.981 174 G CA 0.614 45.726 45.100 0.021 0.000 0.670 174 G HN 0.488 nan 8.290 nan 0.000 0.528 175 L N -0.150 121.063 121.223 -0.017 0.000 2.436 175 L HA 0.923 5.252 4.340 -0.018 0.000 0.268 175 L C -0.745 176.189 176.870 0.107 0.000 0.974 175 L CA -1.100 53.740 54.840 -0.000 0.000 0.826 175 L CB 2.419 44.401 42.059 -0.129 0.000 1.291 175 L HN 0.643 nan 8.230 nan 0.000 0.406 176 V N 3.911 123.918 119.914 0.155 0.000 3.000 176 V HA 0.950 5.059 4.120 -0.018 0.000 0.300 176 V C -1.388 174.739 176.094 0.055 0.000 1.251 176 V CA 0.302 62.726 62.300 0.206 0.000 0.972 176 V CB 2.059 34.032 31.823 0.250 0.000 1.065 176 V HN 1.204 nan 8.190 nan 0.000 0.431 177 A N 5.149 127.993 122.820 0.039 0.000 2.401 177 A HA 0.962 5.271 4.320 -0.018 0.000 0.310 177 A C -1.960 175.559 177.584 -0.109 0.000 1.075 177 A CA -0.462 51.477 52.037 -0.163 0.000 0.746 177 A CB 1.617 20.498 19.000 -0.197 0.000 1.277 177 A HN 0.840 nan 8.150 nan 0.000 0.425 178 Y N 0.439 120.600 120.300 -0.232 0.000 2.377 178 Y HA 0.605 5.144 4.550 -0.018 0.000 0.339 178 Y C -0.067 175.708 175.900 -0.209 0.000 1.011 178 Y CA -1.607 56.327 58.100 -0.276 0.000 1.093 178 Y CB 1.699 39.951 38.460 -0.347 0.000 1.201 178 Y HN 0.363 nan 8.280 nan 0.000 0.455 179 V N 2.882 122.780 119.914 -0.026 0.000 2.709 179 V HA 0.244 4.353 4.120 -0.018 0.000 0.308 179 V C -0.668 175.391 176.094 -0.060 0.000 1.062 179 V CA -1.086 61.176 62.300 -0.062 0.000 0.901 179 V CB 2.270 34.039 31.823 -0.091 0.000 1.003 179 V HN 0.649 nan 8.190 nan 0.000 0.425 180 D N 3.108 123.478 120.400 -0.050 0.000 2.411 180 D HA 0.152 4.781 4.640 -0.018 0.000 0.225 180 D C 1.060 177.335 176.300 -0.042 0.000 1.156 180 D CA -0.172 53.801 54.000 -0.044 0.000 0.874 180 D CB 1.798 42.579 40.800 -0.032 0.000 1.034 180 D HN 0.454 nan 8.370 nan 0.000 0.502 181 V N 2.256 122.140 119.914 -0.050 0.000 3.078 181 V HA -0.102 4.007 4.120 -0.018 0.000 0.265 181 V C 1.676 177.762 176.094 -0.014 0.000 1.122 181 V CA 0.665 62.938 62.300 -0.044 0.000 1.141 181 V CB -0.381 31.395 31.823 -0.079 0.000 0.735 181 V HN 0.355 nan 8.190 nan 0.000 0.498 182 V N 1.506 121.419 119.914 -0.001 0.000 2.492 182 V HA -0.053 4.056 4.120 -0.018 0.000 0.241 182 V C 2.731 178.828 176.094 0.005 0.000 1.041 182 V CA 1.863 64.176 62.300 0.023 0.000 1.057 182 V CB -0.006 31.839 31.823 0.036 0.000 0.711 182 V HN 0.743 nan 8.190 nan 0.000 0.468 183 S N -1.265 114.431 115.700 -0.006 0.000 2.593 183 S HA 0.011 4.470 4.470 -0.018 0.000 0.217 183 S C 0.849 175.443 174.600 -0.011 0.000 0.966 183 S CA 0.043 58.237 58.200 -0.009 0.000 0.914 183 S CB -0.226 62.967 63.200 -0.012 0.000 0.776 183 S HN 0.399 nan 8.310 nan 0.000 0.523 184 K N 1.159 121.551 120.400 -0.014 0.000 3.150 184 K HA -0.140 4.169 4.320 -0.018 0.000 0.267 184 K C -0.826 175.759 176.600 -0.025 0.000 1.028 184 K CA 0.870 57.145 56.287 -0.019 0.000 0.753 184 K CB -2.103 30.391 32.500 -0.011 0.000 1.288 184 K HN 0.764 nan 8.250 nan 0.000 0.473 185 E N -0.704 119.478 120.200 -0.030 0.000 2.238 185 E HA 0.390 4.729 4.350 -0.018 0.000 0.267 185 E C -0.586 175.987 176.600 -0.044 0.000 0.887 185 E CA -1.157 55.224 56.400 -0.031 0.000 0.769 185 E CB 2.034 31.721 29.700 -0.023 0.000 1.187 185 E HN -0.056 nan 8.360 nan 0.000 0.416 186 V N 3.382 123.266 119.914 -0.050 0.000 2.322 186 V HA -0.012 4.097 4.120 -0.018 0.000 0.258 186 V C 1.438 177.502 176.094 -0.051 0.000 1.074 186 V CA 0.206 62.466 62.300 -0.067 0.000 0.909 186 V CB 0.104 31.880 31.823 -0.079 0.000 1.090 186 V HN 0.922 nan 8.190 nan 0.000 0.486 187 T N 2.708 117.237 114.554 -0.042 0.000 2.777 187 T HA 0.038 4.377 4.350 -0.018 0.000 0.266 187 T C 0.823 175.486 174.700 -0.061 0.000 1.040 187 T CA 0.721 62.803 62.100 -0.030 0.000 1.141 187 T CB 0.191 69.057 68.868 -0.003 0.000 0.868 187 T HN 0.554 nan 8.240 nan 0.000 0.444 188 R N -0.508 119.915 120.500 -0.129 0.000 2.668 188 R HA 0.659 4.988 4.340 -0.018 0.000 0.272 188 R C -2.115 174.000 176.300 -0.308 0.000 1.019 188 R CA -0.781 55.173 56.100 -0.244 0.000 0.894 188 R CB 2.821 32.878 30.300 -0.406 0.000 1.228 188 R HN 0.034 nan 8.270 nan 0.000 0.460 189 V N 4.058 123.850 119.914 -0.203 0.000 2.380 189 V HA 0.426 4.535 4.120 -0.018 0.000 0.286 189 V C -0.363 175.660 176.094 -0.118 0.000 1.015 189 V CA -0.536 61.705 62.300 -0.098 0.000 0.834 189 V CB 1.555 33.411 31.823 0.056 0.000 1.009 189 V HN 0.579 nan 8.190 nan 0.000 0.428 190 I N 4.094 124.565 120.570 -0.165 0.000 2.336 190 I HA 0.462 4.621 4.170 -0.018 0.000 0.292 190 I C -0.592 175.509 176.117 -0.027 0.000 0.991 190 I CA -0.115 61.120 61.300 -0.109 0.000 1.227 190 I CB 1.610 39.516 38.000 -0.156 0.000 1.366 190 I HN 0.491 nan 8.210 nan 0.000 0.466 191 D N 4.743 125.137 120.400 -0.010 0.000 2.469 191 D HA 0.158 4.787 4.640 -0.018 0.000 0.251 191 D C 0.708 177.028 176.300 0.034 0.000 1.173 191 D CA -0.319 53.685 54.000 0.006 0.000 0.882 191 D CB 1.627 42.415 40.800 -0.019 0.000 1.129 191 D HN 0.627 nan 8.370 nan 0.000 0.549 192 T N 0.389 114.989 114.554 0.078 0.000 3.107 192 T HA 0.490 4.829 4.350 -0.018 0.000 0.249 192 T C 0.853 175.623 174.700 0.117 0.000 1.096 192 T CA 0.219 62.381 62.100 0.103 0.000 1.012 192 T CB 0.185 69.138 68.868 0.141 0.000 0.977 192 T HN 0.575 nan 8.240 nan 0.000 0.527 193 G N 0.291 109.154 108.800 0.106 0.000 2.326 193 G HA2 0.254 4.203 3.960 -0.018 0.000 0.478 193 G HA3 0.254 4.203 3.960 -0.018 0.000 0.478 193 G C -1.167 173.771 174.900 0.063 0.000 1.551 193 G CA -0.521 44.590 45.100 0.019 0.000 0.946 193 G HN 0.591 nan 8.290 nan 0.000 0.671 194 V N 1.735 121.615 119.914 -0.056 0.000 2.470 194 V HA 0.721 4.830 4.120 -0.018 0.000 0.276 194 V C -0.448 175.585 176.094 -0.101 0.000 1.040 194 V CA -0.324 61.968 62.300 -0.015 0.000 1.008 194 V CB -0.004 31.786 31.823 -0.054 0.000 0.990 194 V HN 0.617 nan 8.190 nan 0.000 0.477 195 F N 6.511 126.426 119.950 -0.057 0.000 2.480 195 F HA 0.637 5.153 4.527 -0.018 0.000 0.329 195 F C -1.739 174.037 175.800 -0.041 0.000 1.091 195 F CA -2.428 55.545 58.000 -0.046 0.000 0.972 195 F CB 1.359 40.331 39.000 -0.046 0.000 1.150 195 F HN 0.407 nan 8.300 nan 0.000 0.467 196 P HA 0.111 nan 4.420 nan 0.000 0.268 196 P C -0.914 176.443 177.300 0.096 0.000 1.205 196 P CA -0.176 62.971 63.100 0.077 0.000 0.771 196 P CB 0.539 32.274 31.700 0.059 0.000 0.858 197 V N 5.983 125.934 119.914 0.061 0.000 2.432 197 V HA 0.183 4.292 4.120 -0.018 0.000 0.271 197 V C -1.890 174.265 176.094 0.102 0.000 1.046 197 V CA -1.592 60.747 62.300 0.065 0.000 0.945 197 V CB 0.543 32.385 31.823 0.031 0.000 0.992 197 V HN 0.582 nan 8.190 nan 0.000 0.471 198 P HA 0.022 nan 4.420 nan 0.000 0.261 198 P C 0.431 177.890 177.300 0.266 0.000 1.173 198 P CA 0.383 63.569 63.100 0.144 0.000 0.760 198 P CB 0.759 32.509 31.700 0.083 0.000 0.783 199 A N 3.555 126.492 122.820 0.195 0.000 1.943 199 A HA -0.012 4.297 4.320 -0.018 0.000 0.213 199 A C 0.813 178.585 177.584 0.312 0.000 1.181 199 A CA 0.501 52.664 52.037 0.211 0.000 0.653 199 A CB -0.466 18.602 19.000 0.113 0.000 0.833 199 A HN 0.560 nan 8.150 nan 0.000 0.451 200 E N 0.723 121.056 120.200 0.222 0.000 2.442 200 E HA 0.200 4.539 4.350 -0.018 0.000 0.262 200 E C -0.222 176.540 176.600 0.270 0.000 1.004 200 E CA 0.045 56.554 56.400 0.181 0.000 0.928 200 E CB 0.302 30.062 29.700 0.100 0.000 0.937 200 E HN 0.765 nan 8.360 nan 0.000 0.446 201 H N -0.419 118.814 119.070 0.272 0.000 2.508 201 H HA 0.484 5.029 4.556 -0.018 0.000 0.358 201 H C 0.426 175.847 175.328 0.155 0.000 1.212 201 H CA -0.882 55.289 56.048 0.205 0.000 1.356 201 H CB 1.091 30.995 29.762 0.237 0.000 1.525 201 H HN 0.476 nan 8.280 nan 0.000 0.578 202 G N 1.156 110.128 108.800 0.286 0.000 4.637 202 G HA2 0.063 4.012 3.960 -0.018 0.000 0.294 202 G HA3 0.063 4.012 3.960 -0.018 0.000 0.294 202 G C -0.708 174.167 174.900 -0.042 0.000 1.215 202 G CA -0.677 44.428 45.100 0.010 0.000 0.943 202 G HN 0.626 nan 8.290 nan 0.000 0.572 203 N N 1.780 120.608 118.700 0.213 0.000 2.555 203 N HA 0.101 4.830 4.740 -0.018 0.000 0.244 203 N C 0.794 176.216 175.510 -0.146 0.000 1.114 203 N CA -0.429 52.514 53.050 -0.178 0.000 0.963 203 N CB 0.559 38.911 38.487 -0.225 0.000 1.276 203 N HN 0.571 nan 8.380 nan 0.000 0.510 204 Y N -0.350 119.924 120.300 -0.044 0.000 2.680 204 Y HA -0.018 4.521 4.550 -0.018 0.000 0.303 204 Y C 1.637 177.521 175.900 -0.027 0.000 1.166 204 Y CA 0.249 58.313 58.100 -0.059 0.000 1.344 204 Y CB -0.698 37.687 38.460 -0.124 0.000 1.002 204 Y HN 0.269 nan 8.280 nan 0.000 0.537 205 T N -4.337 110.173 114.554 -0.072 0.000 3.044 205 T HA 0.083 4.422 4.350 -0.018 0.000 0.260 205 T C 0.012 174.704 174.700 -0.014 0.000 1.019 205 T CA -0.205 61.892 62.100 -0.004 0.000 0.921 205 T CB -0.142 68.704 68.868 -0.037 0.000 1.053 205 T HN 0.204 nan 8.240 nan 0.000 0.533 206 D N 3.528 123.915 120.400 -0.022 0.000 2.325 206 D HA 0.211 4.840 4.640 -0.018 0.000 0.251 206 D C -1.034 175.285 176.300 0.033 0.000 1.196 206 D CA -2.485 51.507 54.000 -0.013 0.000 0.866 206 D CB 1.851 42.616 40.800 -0.059 0.000 1.101 206 D HN 0.022 nan 8.370 nan 0.000 0.476 207 P HA -0.219 nan 4.420 nan 0.000 0.217 207 P C 1.129 178.457 177.300 0.046 0.000 1.148 207 P CA 0.973 64.090 63.100 0.028 0.000 0.828 207 P CB 0.321 32.029 31.700 0.014 0.000 0.783 208 E N -0.536 119.700 120.200 0.060 0.000 2.118 208 E HA -0.199 4.140 4.350 -0.018 0.000 0.195 208 E C 1.823 178.489 176.600 0.110 0.000 0.992 208 E CA 0.917 57.371 56.400 0.090 0.000 0.804 208 E CB -0.280 29.499 29.700 0.132 0.000 0.741 208 E HN 0.124 nan 8.360 nan 0.000 0.458 209 L N 0.091 121.396 121.223 0.137 0.000 2.357 209 L HA 0.033 4.362 4.340 -0.018 0.000 0.211 209 L C 2.426 179.339 176.870 0.072 0.000 1.075 209 L CA 1.740 56.650 54.840 0.115 0.000 0.830 209 L CB -0.172 41.995 42.059 0.180 0.000 0.996 209 L HN 0.241 nan 8.230 nan 0.000 0.467 210 T N -2.795 111.799 114.554 0.067 0.000 3.023 210 T HA 0.354 4.693 4.350 -0.018 0.000 0.266 210 T C 1.200 175.921 174.700 0.035 0.000 1.093 210 T CA 0.473 62.601 62.100 0.048 0.000 1.129 210 T CB -0.737 68.159 68.868 0.046 0.000 0.899 210 T HN 0.649 nan 8.240 nan 0.000 0.491 211 G N 2.496 111.317 108.800 0.036 0.000 2.752 211 G HA2 -0.103 3.846 3.960 -0.018 0.000 0.234 211 G HA3 -0.103 3.846 3.960 -0.018 0.000 0.234 211 G C -2.648 172.265 174.900 0.021 0.000 1.367 211 G CA -0.507 44.609 45.100 0.027 0.000 0.879 211 G HN 0.586 nan 8.290 nan 0.000 0.563 212 P HA 0.324 nan 4.420 nan 0.000 0.268 212 P C 0.438 177.745 177.300 0.012 0.000 1.204 212 P CA -0.050 63.058 63.100 0.013 0.000 0.768 212 P CB 0.486 32.192 31.700 0.010 0.000 0.842 213 L N 3.590 124.819 121.223 0.011 0.000 2.426 213 L HA 0.202 4.531 4.340 -0.018 0.000 0.271 213 L C 1.462 178.336 176.870 0.006 0.000 1.169 213 L CA -0.425 54.420 54.840 0.009 0.000 0.836 213 L CB 0.031 42.096 42.059 0.009 0.000 1.112 213 L HN 0.349 nan 8.230 nan 0.000 0.465 214 R N 0.526 121.028 120.500 0.004 0.000 2.679 214 R HA 0.063 4.392 4.340 -0.018 0.000 0.268 214 R C 0.822 177.123 176.300 0.001 0.000 1.044 214 R CA 0.477 56.578 56.100 0.002 0.000 1.105 214 R CB 0.244 30.544 30.300 -0.000 0.000 0.989 214 R HN 0.742 nan 8.270 nan 0.000 0.447 215 T N -3.946 110.608 114.554 0.001 0.000 3.145 215 T HA 0.002 4.341 4.350 -0.018 0.000 0.281 215 T C 1.174 175.873 174.700 -0.001 0.000 1.003 215 T CA 0.050 62.151 62.100 0.000 0.000 0.901 215 T CB 0.321 69.190 68.868 0.001 0.000 1.112 215 T HN 0.659 nan 8.240 nan 0.000 0.535 216 T N -0.783 113.770 114.554 -0.002 0.000 3.081 216 T HA 0.176 4.515 4.350 -0.018 0.000 0.255 216 T C 0.734 175.431 174.700 -0.004 0.000 1.113 216 T CA -0.062 62.037 62.100 -0.003 0.000 1.082 216 T CB -0.335 68.531 68.868 -0.004 0.000 0.939 216 T HN 0.396 nan 8.240 nan 0.000 0.506 217 Q N 1.781 121.579 119.800 -0.004 0.000 2.344 217 Q HA 0.326 4.655 4.340 -0.018 0.000 0.253 217 Q C -0.683 175.315 176.000 -0.004 0.000 1.050 217 Q CA -0.381 55.419 55.803 -0.005 0.000 0.912 217 Q CB 0.696 29.431 28.738 -0.005 0.000 1.258 217 Q HN 0.146 nan 8.270 nan 0.000 0.443 218 K N 3.481 123.878 120.400 -0.004 0.000 2.202 218 K HA 0.245 4.554 4.320 -0.018 0.000 0.264 218 K C -2.088 174.511 176.600 -0.003 0.000 1.010 218 K CA -1.376 54.909 56.287 -0.003 0.000 0.940 218 K CB 0.182 32.679 32.500 -0.004 0.000 0.983 218 K HN 0.390 nan 8.250 nan 0.000 0.475 219 P HA 0.166 nan 4.420 nan 0.000 0.271 219 P C -0.733 176.567 177.300 -0.000 0.000 1.218 219 P CA 0.043 63.142 63.100 -0.000 0.000 0.780 219 P CB 0.571 32.272 31.700 0.001 0.000 0.901 220 I N 1.294 121.865 120.570 0.001 0.000 2.411 220 I HA 0.132 4.291 4.170 -0.018 0.000 0.284 220 I C 0.431 176.551 176.117 0.005 0.000 1.012 220 I CA -0.559 60.742 61.300 0.002 0.000 1.119 220 I CB 1.651 39.652 38.000 0.002 0.000 1.261 220 I HN 0.290 nan 8.210 nan 0.000 0.448 221 S N 7.752 123.455 115.700 0.006 0.000 2.422 221 S HA 0.609 5.068 4.470 -0.018 0.000 0.298 221 S C -0.502 174.106 174.600 0.013 0.000 1.118 221 S CA -0.419 57.786 58.200 0.008 0.000 1.083 221 S CB 0.223 63.428 63.200 0.008 0.000 0.971 221 S HN 0.443 nan 8.310 nan 0.000 0.478 222 I N 5.341 125.920 120.570 0.014 0.000 2.382 222 I HA 0.392 4.551 4.170 -0.018 0.000 0.286 222 I C 0.065 176.195 176.117 0.022 0.000 1.002 222 I CA -0.397 60.916 61.300 0.022 0.000 1.135 222 I CB 1.826 39.842 38.000 0.026 0.000 1.288 222 I HN 0.688 nan 8.210 nan 0.000 0.448 223 T N 1.763 116.333 114.554 0.027 0.000 2.864 223 T HA 0.486 4.825 4.350 -0.018 0.000 0.299 223 T C -0.872 173.847 174.700 0.032 0.000 1.166 223 T CA -0.931 61.184 62.100 0.025 0.000 1.007 223 T CB 2.215 71.093 68.868 0.017 0.000 1.219 223 T HN 0.494 nan 8.240 nan 0.000 0.506 224 Q N 1.158 120.974 119.800 0.027 0.000 2.674 224 Q HA 0.272 4.601 4.340 -0.018 0.000 0.249 224 Q C -2.175 173.833 176.000 0.013 0.000 1.011 224 Q CA -1.986 53.833 55.803 0.027 0.000 0.734 224 Q CB 1.726 30.484 28.738 0.032 0.000 1.201 224 Q HN 0.489 nan 8.270 nan 0.000 0.498 225 P HA -0.236 nan 4.420 nan 0.000 0.218 225 P C 0.183 177.485 177.300 0.002 0.000 1.152 225 P CA 1.540 64.644 63.100 0.008 0.000 0.857 225 P CB 0.336 32.041 31.700 0.010 0.000 0.787 226 E N -1.173 119.028 120.200 0.002 0.000 2.465 226 E HA 0.364 4.703 4.350 -0.018 0.000 0.195 226 E C 0.825 177.413 176.600 -0.019 0.000 1.028 226 E CA 0.049 56.445 56.400 -0.005 0.000 0.899 226 E CB 0.078 29.777 29.700 -0.001 0.000 1.032 226 E HN 0.152 nan 8.360 nan 0.000 0.468 227 G N 3.017 111.802 108.800 -0.024 0.000 2.756 227 G HA2 -0.184 3.765 3.960 -0.018 0.000 0.678 227 G HA3 -0.184 3.765 3.960 -0.018 0.000 0.678 227 G C -2.741 172.113 174.900 -0.077 0.000 1.349 227 G CA -0.929 44.137 45.100 -0.057 0.000 0.847 227 G HN -0.001 nan 8.290 nan 0.000 0.548 228 P HA 0.333 nan 4.420 nan 0.000 0.272 228 P C 0.605 177.801 177.300 -0.174 0.000 1.230 228 P CA 0.108 63.063 63.100 -0.241 0.000 0.788 228 P CB 1.170 32.417 31.700 -0.755 0.000 0.949 229 S N 0.183 115.922 115.700 0.065 0.000 2.593 229 S HA 0.116 4.575 4.470 -0.018 0.000 0.217 229 S C 0.654 175.433 174.600 0.299 0.000 0.966 229 S CA 0.065 58.370 58.200 0.175 0.000 0.914 229 S CB -0.801 62.557 63.200 0.264 0.000 0.776 229 S HN 0.568 nan 8.310 nan 0.000 0.523 230 F N 1.814 121.956 119.950 0.320 0.000 2.432 230 F HA 0.769 5.285 4.527 -0.019 0.000 0.329 230 F C 0.078 175.962 175.800 0.140 0.000 1.076 230 F CA -1.139 57.032 58.000 0.286 0.000 1.018 230 F CB 0.474 39.608 39.000 0.223 0.000 1.201 230 F HN -0.130 nan 8.300 nan 0.000 0.489 231 T N -0.101 114.650 114.554 0.328 0.000 2.885 231 T HA 0.758 5.097 4.350 -0.018 0.000 0.285 231 T C -1.165 173.696 174.700 0.268 0.000 1.019 231 T CA -0.812 61.405 62.100 0.195 0.000 1.010 231 T CB 1.550 70.499 68.868 0.135 0.000 1.022 231 T HN 0.688 nan 8.240 nan 0.000 0.466 232 V N 3.148 123.188 119.914 0.210 0.000 2.444 232 V HA 0.714 4.823 4.120 -0.018 0.000 0.294 232 V C 0.306 176.492 176.094 0.154 0.000 1.022 232 V CA -0.638 61.776 62.300 0.191 0.000 0.850 232 V CB 1.358 33.298 31.823 0.195 0.000 0.992 232 V HN 1.306 nan 8.190 nan 0.000 0.426 233 T N 0.128 114.790 114.554 0.181 0.000 2.906 233 T HA 0.683 5.022 4.350 -0.018 0.000 0.295 233 T C 0.817 175.609 174.700 0.154 0.000 1.075 233 T CA -0.046 62.147 62.100 0.155 0.000 1.005 233 T CB 1.785 70.748 68.868 0.159 0.000 1.136 233 T HN 1.737 nan 8.240 nan 0.000 0.498 234 G N -0.103 108.756 108.800 0.099 0.000 2.187 234 G HA2 0.100 4.049 3.960 -0.018 0.000 0.261 234 G HA3 0.100 4.049 3.960 -0.018 0.000 0.261 234 G C 1.330 176.283 174.900 0.088 0.000 1.000 234 G CA 1.017 46.166 45.100 0.082 0.000 0.718 234 G HN 2.432 nan 8.290 nan 0.000 0.519 235 G N -0.175 108.679 108.800 0.090 0.000 2.363 235 G HA2 -0.253 3.696 3.960 -0.018 0.000 0.238 235 G HA3 -0.253 3.696 3.960 -0.018 0.000 0.238 235 G C 0.821 175.772 174.900 0.086 0.000 1.062 235 G CA 1.284 46.432 45.100 0.079 0.000 0.629 235 G HN 2.219 nan 8.290 nan 0.000 0.514 236 N N -0.306 118.457 118.700 0.105 0.000 2.193 236 N HA 0.168 4.897 4.740 -0.018 0.000 0.236 236 N C -0.358 175.214 175.510 0.104 0.000 1.347 236 N CA 0.294 53.396 53.050 0.088 0.000 0.812 236 N CB -0.286 38.245 38.487 0.074 0.000 1.297 236 N HN 0.533 nan 8.380 nan 0.000 0.499 237 H N 1.420 120.523 119.070 0.056 0.000 2.652 237 H HA 0.472 5.017 4.556 -0.019 0.000 0.298 237 H C -0.408 174.962 175.328 0.071 0.000 1.076 237 H CA -0.317 55.764 56.048 0.055 0.000 1.360 237 H CB 0.524 30.323 29.762 0.062 0.000 1.421 237 H HN 0.009 nan 8.280 nan 0.000 0.464 238 I N 4.571 124.902 120.570 -0.399 0.000 2.437 238 I HA 0.293 4.452 4.170 -0.018 0.000 0.298 238 I C -0.066 175.916 176.117 -0.224 0.000 0.984 238 I CA -0.559 60.619 61.300 -0.204 0.000 1.214 238 I CB 1.548 39.444 38.000 -0.173 0.000 1.365 238 I HN 0.717 nan 8.210 nan 0.000 0.469 239 E N 4.801 125.031 120.200 0.050 0.000 2.274 239 E HA 0.322 4.661 4.350 -0.018 0.000 0.269 239 E C -1.896 174.896 176.600 0.320 0.000 0.891 239 E CA -0.580 55.904 56.400 0.140 0.000 0.784 239 E CB 2.655 32.435 29.700 0.133 0.000 1.225 239 E HN 0.560 nan 8.360 nan 0.000 0.412 240 W N 3.941 125.309 121.300 0.113 0.000 3.326 240 W HA 0.181 4.830 4.660 -0.018 0.000 0.333 240 W C -0.624 175.996 176.519 0.170 0.000 1.108 240 W CA -0.381 57.058 57.345 0.156 0.000 1.245 240 W CB 0.989 30.536 29.460 0.146 0.000 1.331 240 W HN 0.349 nan 8.180 nan 0.000 0.464 241 E N 5.797 125.680 120.200 -0.528 0.000 2.149 241 E HA -0.322 4.017 4.350 -0.018 0.000 0.191 241 E C 0.545 176.861 176.600 -0.474 0.000 1.384 241 E CA 1.890 57.903 56.400 -0.645 0.000 0.698 241 E CB -0.968 27.965 29.700 -1.278 0.000 1.086 241 E HN 0.894 nan 8.360 nan 0.000 0.338 242 K N -3.660 116.492 120.400 -0.414 0.000 3.615 242 K HA -0.241 4.068 4.320 -0.018 0.000 0.269 242 K C 0.144 176.323 176.600 -0.702 0.000 1.107 242 K CA 1.717 57.589 56.287 -0.691 0.000 1.059 242 K CB -1.322 30.428 32.500 -1.250 0.000 1.317 242 K HN 0.265 nan 8.250 nan 0.000 0.494 243 W N 1.658 122.770 121.300 -0.313 0.000 2.237 243 W HA 0.443 5.092 4.660 -0.018 0.000 0.335 243 W C 0.661 177.163 176.519 -0.027 0.000 1.230 243 W CA -0.047 57.257 57.345 -0.068 0.000 1.253 243 W CB 1.420 30.983 29.460 0.171 0.000 1.129 243 W HN 0.003 nan 8.180 nan 0.000 0.590 244 S N 3.832 119.699 115.700 0.279 0.000 2.548 244 S HA 0.845 5.304 4.470 -0.018 0.000 0.276 244 S C -1.155 173.481 174.600 0.060 0.000 1.129 244 S CA -0.723 57.539 58.200 0.104 0.000 0.931 244 S CB 0.260 63.539 63.200 0.131 0.000 1.068 244 S HN 0.619 nan 8.310 nan 0.000 0.480 245 L N 0.889 122.027 121.223 -0.141 0.000 3.020 245 L HA 0.716 5.045 4.340 -0.018 0.000 0.273 245 L C -2.165 174.593 176.870 -0.187 0.000 1.018 245 L CA -1.059 53.709 54.840 -0.121 0.000 0.950 245 L CB 1.493 43.486 42.059 -0.111 0.000 1.510 245 L HN 0.432 nan 8.230 nan 0.000 0.404 246 D N 1.362 121.714 120.400 -0.080 0.000 2.375 246 D HA 0.499 5.128 4.640 -0.018 0.000 0.247 246 D C -0.824 175.475 176.300 -0.001 0.000 1.061 246 D CA -0.290 53.712 54.000 0.003 0.000 0.834 246 D CB 3.253 44.089 40.800 0.060 0.000 1.247 246 D HN 0.382 nan 8.370 nan 0.000 0.489 247 V N 2.092 122.003 119.914 -0.004 0.000 2.348 247 V HA 0.482 4.591 4.120 -0.018 0.000 0.270 247 V C 0.949 177.087 176.094 0.074 0.000 1.037 247 V CA -0.405 61.889 62.300 -0.010 0.000 0.872 247 V CB 1.073 32.868 31.823 -0.046 0.000 1.002 247 V HN 0.597 nan 8.190 nan 0.000 0.464 248 G N 3.154 112.037 108.800 0.138 0.000 2.521 248 G HA2 0.721 4.670 3.960 -0.018 0.000 0.323 248 G HA3 0.721 4.670 3.960 -0.018 0.000 0.323 248 G C -1.557 173.444 174.900 0.168 0.000 1.211 248 G CA -0.471 44.738 45.100 0.181 0.000 0.979 248 G HN 0.479 nan 8.290 nan 0.000 0.490 249 F N -0.087 119.846 119.950 -0.028 0.000 2.588 249 F HA 0.523 5.039 4.527 -0.019 0.000 0.314 249 F C -1.532 174.225 175.800 -0.070 0.000 1.134 249 F CA -0.954 56.985 58.000 -0.101 0.000 0.961 249 F CB 2.631 41.558 39.000 -0.123 0.000 1.239 249 F HN 0.531 nan 8.300 nan 0.000 0.448 250 D N 3.719 123.690 120.400 -0.714 0.000 2.780 250 D HA 0.303 4.932 4.640 -0.018 0.000 0.242 250 D C 0.173 176.095 176.300 -0.630 0.000 1.135 250 D CA -0.560 53.191 54.000 -0.416 0.000 0.859 250 D CB 2.405 43.096 40.800 -0.181 0.000 1.530 250 D HN 0.387 nan 8.370 nan 0.000 0.493 251 V N 4.445 124.190 119.914 -0.282 0.000 2.469 251 V HA -0.147 3.962 4.120 -0.018 0.000 0.251 251 V C 2.018 178.039 176.094 -0.121 0.000 1.064 251 V CA 2.328 64.519 62.300 -0.182 0.000 1.066 251 V CB -0.369 31.408 31.823 -0.076 0.000 0.667 251 V HN 0.648 nan 8.190 nan 0.000 0.461 252 R N -0.438 120.049 120.500 -0.021 0.000 2.052 252 R HA -0.044 4.285 4.340 -0.018 0.000 0.224 252 R C 2.266 178.498 176.300 -0.114 0.000 1.149 252 R CA 1.680 57.755 56.100 -0.040 0.000 0.962 252 R CB -0.291 29.936 30.300 -0.123 0.000 0.856 252 R HN 0.586 nan 8.270 nan 0.000 0.433 253 E N -0.447 119.664 120.200 -0.148 0.000 2.285 253 E HA 0.104 4.443 4.350 -0.018 0.000 0.194 253 E C 0.753 177.169 176.600 -0.306 0.000 0.997 253 E CA 0.423 56.740 56.400 -0.138 0.000 0.845 253 E CB 0.403 30.072 29.700 -0.052 0.000 0.782 253 E HN 0.588 nan 8.360 nan 0.000 0.491 254 G N 0.690 109.093 108.800 -0.663 0.000 2.488 254 G HA2 -0.291 3.658 3.960 -0.018 0.000 0.237 254 G HA3 -0.291 3.658 3.960 -0.018 0.000 0.237 254 G C -0.139 174.159 174.900 -1.003 0.000 1.209 254 G CA -0.350 44.028 45.100 -1.203 0.000 0.929 254 G HN 0.103 nan 8.290 nan 0.000 0.578 255 V N 0.689 120.170 119.914 -0.723 0.000 2.585 255 V HA 0.426 4.535 4.120 -0.018 0.000 0.296 255 V C 0.716 176.763 176.094 -0.079 0.000 1.035 255 V CA 0.209 62.429 62.300 -0.134 0.000 1.084 255 V CB 0.975 32.896 31.823 0.163 0.000 0.953 255 V HN 0.911 nan 8.190 nan 0.000 0.483 256 V N 6.790 126.616 119.914 -0.146 0.000 2.588 256 V HA 0.460 4.569 4.120 -0.018 0.000 0.304 256 V C -0.238 175.632 176.094 -0.372 0.000 1.042 256 V CA -0.621 61.515 62.300 -0.273 0.000 0.877 256 V CB 1.917 33.607 31.823 -0.222 0.000 0.996 256 V HN 0.611 nan 8.190 nan 0.000 0.425 257 L N 5.063 125.913 121.223 -0.622 0.000 2.289 257 L HA 0.627 4.956 4.340 -0.018 0.000 0.285 257 L C -0.283 176.257 176.870 -0.550 0.000 1.049 257 L CA -0.518 53.992 54.840 -0.549 0.000 0.804 257 L CB 0.923 42.542 42.059 -0.735 0.000 1.195 257 L HN 0.615 nan 8.230 nan 0.000 0.428 258 H N 3.407 122.312 119.070 -0.274 0.000 2.621 258 H HA 0.268 4.813 4.556 -0.018 0.000 0.360 258 H C -0.224 174.907 175.328 -0.328 0.000 1.163 258 H CA -0.774 55.096 56.048 -0.297 0.000 1.194 258 H CB 1.908 31.471 29.762 -0.330 0.000 1.649 258 H HN 0.582 nan 8.280 nan 0.000 0.532 259 N N 1.375 119.940 118.700 -0.225 0.000 2.705 259 N HA -0.201 4.528 4.740 -0.018 0.000 0.255 259 N C -0.302 175.147 175.510 -0.101 0.000 1.008 259 N CA 0.514 53.437 53.050 -0.211 0.000 0.742 259 N CB -1.218 37.075 38.487 -0.324 0.000 0.906 259 N HN 0.534 nan 8.380 nan 0.000 0.541 260 I N 0.515 121.034 120.570 -0.085 0.000 2.505 260 I HA 0.230 4.389 4.170 -0.018 0.000 0.287 260 I C 1.016 177.193 176.117 0.100 0.000 1.104 260 I CA 0.173 61.489 61.300 0.026 0.000 1.387 260 I CB 0.432 38.427 38.000 -0.008 0.000 1.404 260 I HN 0.321 nan 8.210 nan 0.000 0.528 261 A N 7.088 130.029 122.820 0.202 0.000 2.527 261 A HA 0.799 5.107 4.320 -0.018 0.000 0.293 261 A C -1.568 176.156 177.584 0.233 0.000 1.117 261 A CA -0.448 51.693 52.037 0.173 0.000 0.723 261 A CB 1.705 20.763 19.000 0.097 0.000 1.313 261 A HN 0.525 nan 8.150 nan 0.000 0.411 262 F N 0.683 120.621 119.950 -0.020 0.000 2.518 262 F HA 0.546 5.062 4.527 -0.018 0.000 0.323 262 F C 0.303 176.109 175.800 0.009 0.000 1.129 262 F CA -0.454 57.461 58.000 -0.141 0.000 0.920 262 F CB 1.777 40.614 39.000 -0.272 0.000 1.160 262 F HN 0.609 nan 8.300 nan 0.000 0.440 263 R N 3.624 124.007 120.500 -0.195 0.000 2.343 263 R HA 0.136 4.465 4.340 -0.018 0.000 0.326 263 R C -1.223 175.161 176.300 0.141 0.000 1.055 263 R CA 0.013 56.090 56.100 -0.039 0.000 0.961 263 R CB 0.123 30.337 30.300 -0.144 0.000 0.978 263 R HN 0.491 nan 8.270 nan 0.000 0.443 264 D N 2.846 123.395 120.400 0.247 0.000 2.446 264 D HA 0.317 4.946 4.640 -0.018 0.000 0.251 264 D C 0.745 177.128 176.300 0.139 0.000 1.137 264 D CA 0.597 54.772 54.000 0.292 0.000 0.890 264 D CB 0.865 41.892 40.800 0.378 0.000 1.071 264 D HN 0.656 nan 8.370 nan 0.000 0.528 265 G N 4.144 113.001 108.800 0.095 0.000 2.514 265 G HA2 -0.275 3.674 3.960 -0.018 0.000 0.265 265 G HA3 -0.275 3.674 3.960 -0.018 0.000 0.265 265 G C 0.465 175.385 174.900 0.034 0.000 1.150 265 G CA 0.247 45.378 45.100 0.052 0.000 0.959 265 G HN 0.595 nan 8.290 nan 0.000 0.556 266 D N 1.439 121.854 120.400 0.026 0.000 2.370 266 D HA 0.159 4.788 4.640 -0.018 0.000 0.230 266 D C 0.926 177.238 176.300 0.020 0.000 1.143 266 D CA 0.574 54.584 54.000 0.018 0.000 0.834 266 D CB -0.154 40.653 40.800 0.012 0.000 0.944 266 D HN 0.970 nan 8.370 nan 0.000 0.504 267 R N -0.724 119.794 120.500 0.030 0.000 2.673 267 R HA 0.518 4.847 4.340 -0.018 0.000 0.281 267 R C -1.477 174.854 176.300 0.052 0.000 0.991 267 R CA -1.110 55.009 56.100 0.030 0.000 0.896 267 R CB 1.218 31.528 30.300 0.016 0.000 1.201 267 R HN -0.068 nan 8.270 nan 0.000 0.457 268 L N 2.966 124.217 121.223 0.047 0.000 2.261 268 L HA 0.388 4.717 4.340 -0.018 0.000 0.289 268 L C -0.494 176.421 176.870 0.075 0.000 1.059 268 L CA -0.236 54.644 54.840 0.065 0.000 0.816 268 L CB 0.637 42.727 42.059 0.052 0.000 1.191 268 L HN 0.597 nan 8.230 nan 0.000 0.431 269 R N 7.235 127.818 120.500 0.137 0.000 2.207 269 R HA 0.415 4.744 4.340 -0.018 0.000 0.334 269 R C -2.291 174.110 176.300 0.168 0.000 1.013 269 R CA -1.738 54.453 56.100 0.151 0.000 0.858 269 R CB 0.687 31.109 30.300 0.204 0.000 1.094 269 R HN 0.499 nan 8.270 nan 0.000 0.457 270 P HA 0.062 nan 4.420 nan 0.000 0.272 270 P C -0.100 177.190 177.300 -0.017 0.000 1.223 270 P CA 0.129 63.220 63.100 -0.014 0.000 0.784 270 P CB 1.254 32.873 31.700 -0.135 0.000 0.923 271 I N 0.474 120.975 120.570 -0.115 0.000 3.814 271 I HA 0.245 4.404 4.170 -0.018 0.000 0.264 271 I C 0.660 176.640 176.117 -0.228 0.000 1.145 271 I CA 0.197 61.334 61.300 -0.273 0.000 1.375 271 I CB 0.418 38.138 38.000 -0.467 0.000 1.638 271 I HN 0.135 nan 8.210 nan 0.000 0.432 272 I N 1.567 122.035 120.570 -0.170 0.000 2.478 272 I HA 0.175 4.334 4.170 -0.018 0.000 0.287 272 I C 0.596 176.626 176.117 -0.144 0.000 1.042 272 I CA -0.250 60.962 61.300 -0.146 0.000 1.067 272 I CB 2.086 40.005 38.000 -0.136 0.000 1.233 272 I HN 0.132 nan 8.210 nan 0.000 0.431 273 N N 5.414 124.043 118.700 -0.118 0.000 2.216 273 N HA 0.007 4.736 4.740 -0.018 0.000 0.183 273 N C 0.525 175.957 175.510 -0.131 0.000 1.017 273 N CA 0.993 53.990 53.050 -0.088 0.000 0.861 273 N CB 0.574 39.109 38.487 0.080 0.000 0.986 273 N HN 0.561 nan 8.380 nan 0.000 0.428 274 R N -0.119 120.275 120.500 -0.176 0.000 2.515 274 R HA 0.463 4.792 4.340 -0.018 0.000 0.278 274 R C -2.112 173.999 176.300 -0.314 0.000 1.107 274 R CA -0.497 55.416 56.100 -0.311 0.000 0.945 274 R CB 1.752 31.896 30.300 -0.261 0.000 1.219 274 R HN 0.038 nan 8.270 nan 0.000 0.434 275 A N 2.364 124.929 122.820 -0.425 0.000 2.356 275 A HA 0.742 5.051 4.320 -0.018 0.000 0.310 275 A C -1.040 176.305 177.584 -0.398 0.000 1.075 275 A CA -0.401 51.407 52.037 -0.381 0.000 0.746 275 A CB 1.590 20.272 19.000 -0.531 0.000 1.221 275 A HN 0.831 nan 8.150 nan 0.000 0.443 276 S N 1.301 116.954 115.700 -0.078 0.000 2.588 276 S HA 0.652 5.111 4.470 -0.018 0.000 0.269 276 S C -1.154 173.571 174.600 0.209 0.000 1.157 276 S CA -0.710 57.539 58.200 0.081 0.000 0.824 276 S CB 0.884 64.049 63.200 -0.058 0.000 1.126 276 S HN 0.561 nan 8.310 nan 0.000 0.464 277 I N 2.340 123.052 120.570 0.237 0.000 2.282 277 I HA 0.382 4.541 4.170 -0.018 0.000 0.290 277 I C 1.406 177.620 176.117 0.162 0.000 1.090 277 I CA -0.504 60.916 61.300 0.199 0.000 1.231 277 I CB 0.105 38.297 38.000 0.321 0.000 1.434 277 I HN 0.978 nan 8.210 nan 0.000 0.487 278 A N 5.060 127.955 122.820 0.125 0.000 2.168 278 A HA 0.049 4.358 4.320 -0.018 0.000 0.215 278 A C 0.775 178.428 177.584 0.115 0.000 1.152 278 A CA 1.028 53.168 52.037 0.173 0.000 0.716 278 A CB 0.027 19.148 19.000 0.202 0.000 0.794 278 A HN 0.669 nan 8.150 nan 0.000 0.465 279 E N -1.740 118.470 120.200 0.017 0.000 2.392 279 E HA 0.526 4.865 4.350 -0.018 0.000 0.281 279 E C -1.082 175.499 176.600 -0.031 0.000 1.088 279 E CA -0.350 56.014 56.400 -0.061 0.000 0.850 279 E CB 0.745 30.253 29.700 -0.319 0.000 1.267 279 E HN 0.483 nan 8.360 nan 0.000 0.438 280 M N 2.042 121.636 119.600 -0.009 0.000 2.284 280 M HA 0.685 5.154 4.480 -0.018 0.000 0.281 280 M C -1.830 174.348 176.300 -0.202 0.000 1.083 280 M CA -0.968 54.212 55.300 -0.200 0.000 0.965 280 M CB 1.934 34.330 32.600 -0.341 0.000 1.717 280 M HN 0.284 nan 8.290 nan 0.000 0.479 281 V N 3.827 123.557 119.914 -0.306 0.000 2.680 281 V HA 0.809 4.918 4.120 -0.018 0.000 0.309 281 V C -1.319 174.516 176.094 -0.432 0.000 1.052 281 V CA -0.468 61.555 62.300 -0.462 0.000 0.908 281 V CB 2.344 33.769 31.823 -0.665 0.000 1.001 281 V HN 0.810 nan 8.190 nan 0.000 0.431 282 V N 8.662 128.396 119.914 -0.301 0.000 2.276 282 V HA 0.412 4.521 4.120 -0.018 0.000 0.268 282 V C -2.413 173.624 176.094 -0.096 0.000 1.032 282 V CA -1.294 60.843 62.300 -0.271 0.000 0.810 282 V CB 1.386 33.087 31.823 -0.204 0.000 1.060 282 V HN 0.818 nan 8.190 nan 0.000 0.446 283 P HA 0.338 nan 4.420 nan 0.000 0.285 283 P C -1.349 175.861 177.300 -0.150 0.000 1.259 283 P CA -0.368 62.684 63.100 -0.079 0.000 0.794 283 P CB 1.174 32.796 31.700 -0.130 0.000 0.940 284 Y N 0.657 120.943 120.300 -0.022 0.000 2.323 284 Y HA 0.448 4.987 4.550 -0.018 0.000 0.331 284 Y C 1.728 177.639 175.900 0.019 0.000 1.092 284 Y CA 0.252 58.359 58.100 0.011 0.000 1.150 284 Y CB 1.348 39.762 38.460 -0.077 0.000 1.200 284 Y HN 0.481 nan 8.280 nan 0.000 0.472 285 G N 1.549 110.424 108.800 0.125 0.000 3.702 285 G HA2 0.015 3.964 3.960 -0.018 0.000 0.288 285 G HA3 0.015 3.964 3.960 -0.018 0.000 0.288 285 G C -0.693 174.276 174.900 0.114 0.000 1.193 285 G CA -0.179 44.996 45.100 0.126 0.000 0.952 285 G HN 0.513 nan 8.290 nan 0.000 0.544 286 D N 0.932 121.388 120.400 0.092 0.000 2.329 286 D HA 0.269 4.898 4.640 -0.018 0.000 0.232 286 D C -1.030 175.272 176.300 0.002 0.000 1.088 286 D CA -2.445 51.569 54.000 0.023 0.000 0.835 286 D CB 2.272 43.084 40.800 0.021 0.000 1.078 286 D HN 0.022 nan 8.370 nan 0.000 0.495 287 P HA -0.062 nan 4.420 nan 0.000 0.234 287 P C 0.424 177.725 177.300 0.003 0.000 1.167 287 P CA 0.072 63.178 63.100 0.010 0.000 0.763 287 P CB 0.155 31.867 31.700 0.020 0.000 0.835 288 S N 1.356 117.047 115.700 -0.015 0.000 2.552 288 S HA 0.073 4.532 4.470 -0.018 0.000 0.289 288 S C -1.298 173.307 174.600 0.010 0.000 1.304 288 S CA -0.906 57.289 58.200 -0.008 0.000 1.063 288 S CB 0.282 63.454 63.200 -0.045 0.000 0.848 288 S HN -0.066 nan 8.310 nan 0.000 0.499 289 P HA -0.092 nan 4.420 nan 0.000 0.219 289 P C 1.228 178.654 177.300 0.210 0.000 1.146 289 P CA 0.723 63.901 63.100 0.130 0.000 0.808 289 P CB 0.026 31.805 31.700 0.132 0.000 0.779 290 I N -0.938 119.711 120.570 0.130 0.000 2.493 290 I HA -0.132 4.027 4.170 -0.018 0.000 0.254 290 I C 1.625 177.827 176.117 0.141 0.000 1.160 290 I CA 1.623 63.035 61.300 0.186 0.000 1.445 290 I CB -0.920 37.098 38.000 0.030 0.000 1.086 290 I HN 0.061 nan 8.210 nan 0.000 0.433 291 R N -0.744 119.642 120.500 -0.191 0.000 2.539 291 R HA 0.105 4.434 4.340 -0.018 0.000 0.342 291 R C 1.794 177.665 176.300 -0.714 0.000 0.941 291 R CA 0.479 56.169 56.100 -0.684 0.000 1.146 291 R CB 0.192 30.249 30.300 -0.404 0.000 1.541 291 R HN 0.247 nan 8.270 nan 0.000 0.525 292 S N 0.828 116.310 115.700 -0.365 0.000 2.537 292 S HA -0.110 4.349 4.470 -0.018 0.000 0.240 292 S C 1.338 175.794 174.600 -0.240 0.000 0.981 292 S CA 0.396 58.476 58.200 -0.200 0.000 0.948 292 S CB -0.406 62.760 63.200 -0.058 0.000 0.759 292 S HN 0.631 nan 8.310 nan 0.000 0.531 293 W N 0.659 121.813 121.300 -0.243 0.000 3.211 293 W HA 0.372 5.021 4.660 -0.018 0.000 0.292 293 W C 0.526 177.047 176.519 0.004 0.000 1.268 293 W CA -0.569 56.512 57.345 -0.440 0.000 1.702 293 W CB -0.596 28.468 29.460 -0.659 0.000 1.092 293 W HN 0.297 nan 8.180 nan 0.000 0.643 294 Q N 3.108 122.482 119.800 -0.711 0.000 2.286 294 Q HA 0.093 4.422 4.340 -0.018 0.000 0.265 294 Q C -0.809 175.178 176.000 -0.022 0.000 1.080 294 Q CA 0.734 56.170 55.803 -0.612 0.000 0.906 294 Q CB 0.101 28.158 28.738 -1.135 0.000 1.227 294 Q HN 0.025 nan 8.270 nan 0.000 0.409 295 N N 4.771 123.550 118.700 0.133 0.000 2.549 295 N HA 0.134 4.863 4.740 -0.018 0.000 0.290 295 N C -1.874 173.795 175.510 0.266 0.000 1.122 295 N CA -0.427 52.760 53.050 0.229 0.000 0.885 295 N CB 1.092 39.732 38.487 0.256 0.000 1.455 295 N HN 0.430 nan 8.380 nan 0.000 0.521 296 Y N 1.115 121.505 120.300 0.149 0.000 2.350 296 Y HA 0.365 4.904 4.550 -0.018 0.000 0.340 296 Y C 0.157 176.136 175.900 0.131 0.000 1.006 296 Y CA -0.506 57.765 58.100 0.284 0.000 1.166 296 Y CB 0.378 38.947 38.460 0.181 0.000 1.168 296 Y HN 0.370 nan 8.280 nan 0.000 0.502 297 F N 3.072 123.283 119.950 0.434 0.000 2.395 297 F HA 0.228 4.744 4.527 -0.018 0.000 0.347 297 F C 0.759 176.792 175.800 0.388 0.000 1.157 297 F CA -0.868 57.304 58.000 0.287 0.000 1.272 297 F CB 0.147 39.254 39.000 0.179 0.000 1.607 297 F HN 0.540 nan 8.300 nan 0.000 0.571 298 D N -0.145 120.522 120.400 0.445 0.000 2.133 298 D HA -0.198 4.431 4.640 -0.018 0.000 0.195 298 D C 2.035 178.578 176.300 0.406 0.000 0.997 298 D CA 1.984 56.246 54.000 0.437 0.000 0.840 298 D CB -0.012 40.901 40.800 0.189 0.000 0.947 298 D HN 0.360 nan 8.370 nan 0.000 0.452 299 T N -0.716 113.999 114.554 0.268 0.000 2.735 299 T HA -0.012 4.327 4.350 -0.018 0.000 0.256 299 T C 2.101 176.859 174.700 0.096 0.000 1.042 299 T CA 1.274 63.474 62.100 0.166 0.000 1.147 299 T CB -0.790 68.136 68.868 0.096 0.000 0.865 299 T HN 0.292 nan 8.240 nan 0.000 0.421 300 G N 1.050 109.910 108.800 0.099 0.000 2.402 300 G HA2 -0.138 3.811 3.960 -0.018 0.000 0.216 300 G HA3 -0.138 3.811 3.960 -0.018 0.000 0.216 300 G C 1.467 176.372 174.900 0.008 0.000 1.162 300 G CA 0.601 45.682 45.100 -0.033 0.000 0.777 300 G HN 0.507 nan 8.290 nan 0.000 0.539 301 E N -1.010 119.273 120.200 0.137 0.000 2.127 301 E HA 0.072 4.411 4.350 -0.018 0.000 0.191 301 E C 1.997 178.593 176.600 -0.007 0.000 0.964 301 E CA 0.433 56.834 56.400 0.001 0.000 0.832 301 E CB 0.026 29.684 29.700 -0.069 0.000 0.790 301 E HN 0.579 nan 8.360 nan 0.000 0.465 302 Y N 0.049 120.533 120.300 0.306 0.000 2.479 302 Y HA 0.258 4.797 4.550 -0.018 0.000 0.283 302 Y C 0.196 176.334 175.900 0.397 0.000 1.109 302 Y CA 0.079 58.438 58.100 0.433 0.000 1.239 302 Y CB 0.493 39.249 38.460 0.493 0.000 1.108 302 Y HN -0.156 nan 8.280 nan 0.000 0.548 303 L N 0.796 122.261 121.223 0.403 0.000 2.586 303 L HA -0.190 4.139 4.340 -0.018 0.000 0.690 303 L C 1.033 178.068 176.870 0.276 0.000 1.053 303 L CA -0.055 54.924 54.840 0.231 0.000 1.383 303 L CB -1.634 40.516 42.059 0.153 0.000 2.057 303 L HN 0.167 nan 8.230 nan 0.000 0.951 304 V N -0.649 119.433 119.914 0.280 0.000 2.469 304 V HA -0.145 3.964 4.120 -0.018 0.000 0.251 304 V C 2.191 178.463 176.094 0.296 0.000 1.064 304 V CA 2.288 64.802 62.300 0.356 0.000 1.066 304 V CB -0.594 31.415 31.823 0.310 0.000 0.667 304 V HN 0.836 nan 8.190 nan 0.000 0.461 305 G N -0.635 108.199 108.800 0.057 0.000 2.432 305 G HA2 -0.309 3.640 3.960 -0.018 0.000 0.219 305 G HA3 -0.309 3.640 3.960 -0.018 0.000 0.219 305 G C 1.560 176.556 174.900 0.159 0.000 1.135 305 G CA 0.883 45.965 45.100 -0.030 0.000 0.767 305 G HN 0.643 nan 8.290 nan 0.000 0.550 306 Q N -0.737 119.055 119.800 -0.013 0.000 2.181 306 Q HA -0.133 4.196 4.340 -0.018 0.000 0.205 306 Q C 1.193 177.024 176.000 -0.281 0.000 0.980 306 Q CA 1.150 56.824 55.803 -0.216 0.000 0.862 306 Q CB -0.146 28.299 28.738 -0.488 0.000 0.905 306 Q HN 0.630 nan 8.270 nan 0.000 0.429 307 Y N -0.408 120.056 120.300 0.274 0.000 2.571 307 Y HA 0.431 4.970 4.550 -0.018 0.000 0.275 307 Y C 0.368 176.451 175.900 0.306 0.000 1.179 307 Y CA -0.310 57.950 58.100 0.265 0.000 1.242 307 Y CB -0.134 38.479 38.460 0.255 0.000 1.126 307 Y HN 0.065 nan 8.280 nan 0.000 0.524 308 A N 1.060 124.141 122.820 0.434 0.000 2.567 308 A HA 0.017 4.326 4.320 -0.018 0.000 0.240 308 A C 0.303 178.092 177.584 0.341 0.000 1.053 308 A CA -0.152 52.178 52.037 0.488 0.000 0.755 308 A CB -0.311 18.984 19.000 0.492 0.000 0.978 308 A HN 0.609 nan 8.150 nan 0.000 0.507 309 N N 0.990 119.896 118.700 0.343 0.000 2.503 309 N HA 0.265 4.993 4.740 -0.018 0.000 0.267 309 N C -0.355 175.252 175.510 0.160 0.000 1.214 309 N CA -0.295 52.892 53.050 0.229 0.000 0.959 309 N CB 0.652 39.262 38.487 0.205 0.000 1.142 309 N HN 0.549 nan 8.380 nan 0.000 0.455 310 S N 1.506 117.260 115.700 0.090 0.000 2.448 310 S HA 0.184 4.643 4.470 -0.018 0.000 0.279 310 S C 0.103 174.713 174.600 0.017 0.000 1.195 310 S CA -0.554 57.660 58.200 0.023 0.000 1.051 310 S CB -0.075 63.119 63.200 -0.009 0.000 0.948 310 S HN 0.272 nan 8.310 nan 0.000 0.493 311 L N 3.823 125.061 121.223 0.026 0.000 2.331 311 L HA 0.308 4.637 4.340 -0.018 0.000 0.278 311 L C 0.587 177.471 176.870 0.024 0.000 1.106 311 L CA -0.471 54.417 54.840 0.080 0.000 0.824 311 L CB 0.415 42.619 42.059 0.241 0.000 1.142 311 L HN 0.431 nan 8.230 nan 0.000 0.443 312 E N 3.192 123.419 120.200 0.046 0.000 2.227 312 E HA 0.210 4.549 4.350 -0.018 0.000 0.282 312 E C -0.506 176.162 176.600 0.113 0.000 1.015 312 E CA -0.929 55.495 56.400 0.040 0.000 0.823 312 E CB 2.076 31.785 29.700 0.015 0.000 1.081 312 E HN 0.262 nan 8.360 nan 0.000 0.396 313 L N 2.222 123.534 121.223 0.149 0.000 2.455 313 L HA 0.236 4.565 4.340 -0.018 0.000 0.272 313 L C 1.278 178.195 176.870 0.079 0.000 1.174 313 L CA 1.689 56.632 54.840 0.172 0.000 0.869 313 L CB 0.157 42.335 42.059 0.197 0.000 1.130 313 L HN 0.799 nan 8.230 nan 0.000 0.474 314 G N 2.178 111.009 108.800 0.050 0.000 2.317 314 G HA2 -0.323 3.626 3.960 -0.018 0.000 0.227 314 G HA3 -0.323 3.626 3.960 -0.018 0.000 0.227 314 G C 0.918 175.827 174.900 0.016 0.000 1.042 314 G CA 0.293 45.408 45.100 0.024 0.000 0.623 314 G HN 0.753 nan 8.290 nan 0.000 0.509 315 C N 0.114 119.427 119.300 0.022 0.000 2.664 315 C HA 0.300 4.749 4.460 -0.018 0.000 0.285 315 C C 2.331 177.323 174.990 0.002 0.000 1.386 315 C CA 1.506 60.526 59.018 0.005 0.000 1.753 315 C CB -0.570 27.168 27.740 -0.003 0.000 2.115 315 C HN 0.563 nan 8.230 nan 0.000 0.577 316 D N -0.124 120.287 120.400 0.020 0.000 2.162 316 D HA 0.029 4.658 4.640 -0.018 0.000 0.205 316 D C 0.247 176.596 176.300 0.082 0.000 0.964 316 D CA 1.083 55.103 54.000 0.033 0.000 0.847 316 D CB 0.047 40.872 40.800 0.042 0.000 0.988 316 D HN 0.404 nan 8.370 nan 0.000 0.480 317 c N 1.805 120.449 118.600 0.072 0.000 2.322 317 c HA 0.556 5.115 4.570 -0.018 0.000 0.324 317 c C -0.298 173.745 174.090 -0.078 0.000 1.249 317 c CA -1.109 55.214 56.329 -0.010 0.000 1.453 317 c CB 0.796 43.300 42.510 -0.009 0.000 2.145 317 c HN 0.167 nan 8.230 nan 0.000 0.466 318 L N 3.996 125.135 121.223 -0.140 0.000 2.325 318 L HA 0.978 5.307 4.340 -0.018 0.000 0.278 318 L C 0.438 177.205 176.870 -0.170 0.000 1.023 318 L CA 1.587 56.363 54.840 -0.107 0.000 0.811 318 L CB 1.086 43.118 42.059 -0.046 0.000 1.249 318 L HN 1.125 nan 8.230 nan 0.000 0.431 319 G N 3.221 111.967 108.800 -0.091 0.000 2.384 319 G HA2 -0.133 3.816 3.960 -0.018 0.000 0.204 319 G HA3 -0.133 3.816 3.960 -0.018 0.000 0.204 319 G C -1.176 173.696 174.900 -0.046 0.000 1.237 319 G CA -0.252 44.813 45.100 -0.058 0.000 1.060 319 G HN 0.758 nan 8.290 nan 0.000 0.514 320 D N 1.356 121.755 120.400 -0.001 0.000 2.393 320 D HA 0.420 5.049 4.640 -0.018 0.000 0.232 320 D C 0.272 176.585 176.300 0.023 0.000 1.192 320 D CA -0.151 53.856 54.000 0.011 0.000 0.882 320 D CB 0.087 40.902 40.800 0.026 0.000 1.038 320 D HN 0.372 nan 8.370 nan 0.000 0.499 321 I N 2.641 123.176 120.570 -0.058 0.000 2.412 321 I HA 0.227 4.386 4.170 -0.018 0.000 0.296 321 I C 0.640 176.658 176.117 -0.166 0.000 0.987 321 I CA -0.556 60.648 61.300 -0.160 0.000 1.180 321 I CB 1.532 39.266 38.000 -0.444 0.000 1.340 321 I HN 0.122 nan 8.210 nan 0.000 0.455 322 T N 6.183 120.699 114.554 -0.064 0.000 2.786 322 T HA 0.523 4.862 4.350 -0.018 0.000 0.283 322 T C -0.582 174.070 174.700 -0.081 0.000 0.992 322 T CA -0.282 61.839 62.100 0.036 0.000 0.954 322 T CB 0.532 69.592 68.868 0.319 0.000 0.934 322 T HN 0.160 nan 8.240 nan 0.000 0.440 323 Y N 2.006 122.360 120.300 0.090 0.000 2.419 323 Y HA 0.654 5.193 4.550 -0.018 0.000 0.328 323 Y C 0.221 176.137 175.900 0.028 0.000 1.162 323 Y CA -1.290 56.840 58.100 0.050 0.000 1.174 323 Y CB 1.041 39.522 38.460 0.035 0.000 1.228 323 Y HN 0.362 nan 8.280 nan 0.000 0.473 324 L N 1.347 122.686 121.223 0.194 0.000 2.365 324 L HA 0.501 4.830 4.340 -0.018 0.000 0.273 324 L C -0.679 176.193 176.870 0.003 0.000 1.000 324 L CA -0.631 54.250 54.840 0.069 0.000 0.819 324 L CB 2.052 44.122 42.059 0.018 0.000 1.284 324 L HN 0.545 nan 8.230 nan 0.000 0.418 325 S N 3.471 119.149 115.700 -0.038 0.000 2.406 325 S HA 0.326 4.785 4.470 -0.018 0.000 0.224 325 S C -2.337 172.183 174.600 -0.134 0.000 1.426 325 S CA -1.023 57.121 58.200 -0.094 0.000 1.179 325 S CB 0.719 63.884 63.200 -0.059 0.000 1.042 325 S HN 0.389 nan 8.310 nan 0.000 0.479 326 P HA 0.213 nan 4.420 nan 0.000 0.269 326 P C -0.687 176.525 177.300 -0.146 0.000 1.215 326 P CA -0.264 62.678 63.100 -0.263 0.000 0.780 326 P CB 0.761 32.035 31.700 -0.710 0.000 0.898 327 V N 3.643 123.541 119.914 -0.026 0.000 2.513 327 V HA 0.493 4.602 4.120 -0.018 0.000 0.299 327 V C 0.685 176.819 176.094 0.067 0.000 1.035 327 V CA -0.598 61.708 62.300 0.011 0.000 0.889 327 V CB 1.317 33.149 31.823 0.016 0.000 0.988 327 V HN 0.520 nan 8.190 nan 0.000 0.440 328 I N 0.599 121.201 120.570 0.053 0.000 3.239 328 I HA 0.800 4.959 4.170 -0.018 0.000 0.314 328 I C -0.201 175.921 176.117 0.009 0.000 1.126 328 I CA -0.644 60.687 61.300 0.051 0.000 0.973 328 I CB 2.321 40.365 38.000 0.073 0.000 1.252 328 I HN 0.525 nan 8.210 nan 0.000 0.463 329 S N 1.101 116.787 115.700 -0.024 0.000 2.585 329 S HA 0.375 4.834 4.470 -0.018 0.000 0.277 329 S C -0.577 174.009 174.600 -0.023 0.000 1.241 329 S CA -0.531 57.650 58.200 -0.031 0.000 1.041 329 S CB 0.720 63.882 63.200 -0.064 0.000 0.987 329 S HN 0.814 nan 8.310 nan 0.000 0.512 330 D N 2.309 122.710 120.400 0.001 0.000 2.506 330 D HA 0.426 5.055 4.640 -0.018 0.000 0.272 330 D C 1.108 177.357 176.300 -0.086 0.000 1.214 330 D CA -0.227 53.771 54.000 -0.004 0.000 1.067 330 D CB 0.213 41.063 40.800 0.083 0.000 1.117 330 D HN 0.474 nan 8.370 nan 0.000 0.578 331 A N -1.073 121.601 122.820 -0.242 0.000 2.172 331 A HA -0.006 4.303 4.320 -0.018 0.000 0.216 331 A C 1.367 178.635 177.584 -0.526 0.000 1.154 331 A CA 0.686 52.464 52.037 -0.433 0.000 0.701 331 A CB -0.913 17.717 19.000 -0.616 0.000 0.789 331 A HN 0.458 nan 8.150 nan 0.000 0.465 332 F N -1.717 118.249 119.950 0.027 0.000 2.678 332 F HA 0.403 4.919 4.527 -0.018 0.000 0.305 332 F C 1.760 177.561 175.800 0.002 0.000 1.090 332 F CA 0.254 58.265 58.000 0.018 0.000 1.272 332 F CB 0.214 39.224 39.000 0.016 0.000 1.060 332 F HN 0.292 nan 8.300 nan 0.000 0.576 333 G N 0.145 109.006 108.800 0.101 0.000 2.176 333 G HA2 -0.250 3.699 3.960 -0.018 0.000 0.232 333 G HA3 -0.250 3.699 3.960 -0.018 0.000 0.232 333 G C -0.006 174.917 174.900 0.038 0.000 0.986 333 G CA -0.476 44.651 45.100 0.044 0.000 0.643 333 G HN 0.258 nan 8.290 nan 0.000 0.522 334 N N 2.190 120.940 118.700 0.084 0.000 2.529 334 N HA 0.413 5.142 4.740 -0.018 0.000 0.278 334 N C -2.505 173.024 175.510 0.031 0.000 1.146 334 N CA -1.013 52.071 53.050 0.057 0.000 0.980 334 N CB 1.532 40.072 38.487 0.089 0.000 1.124 334 N HN 0.213 nan 8.380 nan 0.000 0.458 335 P HA 0.178 nan 4.420 nan 0.000 0.276 335 P C -0.593 176.717 177.300 0.016 0.000 1.230 335 P CA -0.072 63.029 63.100 0.001 0.000 0.776 335 P CB 1.158 32.850 31.700 -0.013 0.000 0.888 336 R N 1.888 122.398 120.500 0.017 0.000 2.502 336 R HA 0.245 4.574 4.340 -0.018 0.000 0.300 336 R C -0.457 175.849 176.300 0.010 0.000 0.984 336 R CA -0.594 55.519 56.100 0.022 0.000 0.882 336 R CB 1.469 31.790 30.300 0.034 0.000 1.180 336 R HN 0.484 nan 8.270 nan 0.000 0.444 337 E N 5.166 125.366 120.200 0.001 0.000 2.283 337 E HA 0.164 4.503 4.350 -0.018 0.000 0.278 337 E C -0.658 175.925 176.600 -0.028 0.000 1.027 337 E CA -0.452 55.936 56.400 -0.019 0.000 0.843 337 E CB 0.898 30.586 29.700 -0.020 0.000 1.062 337 E HN 0.550 nan 8.360 nan 0.000 0.401 338 I N 5.068 125.599 120.570 -0.065 0.000 2.316 338 I HA 0.183 4.342 4.170 -0.018 0.000 0.286 338 I C 0.113 176.176 176.117 -0.090 0.000 1.107 338 I CA -0.692 60.566 61.300 -0.069 0.000 1.219 338 I CB 0.366 38.296 38.000 -0.117 0.000 1.455 338 I HN 0.351 nan 8.210 nan 0.000 0.498 339 R N 6.220 126.681 120.500 -0.066 0.000 2.486 339 R HA -0.034 4.295 4.340 -0.018 0.000 0.303 339 R C 0.490 176.708 176.300 -0.137 0.000 0.958 339 R CA 0.570 56.614 56.100 -0.092 0.000 1.077 339 R CB -0.294 29.958 30.300 -0.080 0.000 0.921 339 R HN 0.573 nan 8.270 nan 0.000 0.406 340 N N 2.285 120.879 118.700 -0.177 0.000 2.727 340 N HA -0.184 4.545 4.740 -0.018 0.000 0.249 340 N C 0.570 176.045 175.510 -0.058 0.000 1.048 340 N CA 1.199 54.089 53.050 -0.267 0.000 0.714 340 N CB -1.264 36.749 38.487 -0.790 0.000 0.959 340 N HN 0.840 nan 8.380 nan 0.000 0.544 341 G N -0.797 107.977 108.800 -0.045 0.000 2.511 341 G HA2 0.177 4.126 3.960 -0.018 0.000 0.217 341 G HA3 0.177 4.126 3.960 -0.018 0.000 0.217 341 G C 0.583 175.534 174.900 0.084 0.000 1.133 341 G CA 0.276 45.370 45.100 -0.010 0.000 0.792 341 G HN 0.464 nan 8.290 nan 0.000 0.539 342 I N 0.532 121.153 120.570 0.086 0.000 2.418 342 I HA 0.306 4.465 4.170 -0.018 0.000 0.287 342 I C -0.707 175.534 176.117 0.206 0.000 1.008 342 I CA -0.910 60.470 61.300 0.134 0.000 1.104 342 I CB 2.222 40.234 38.000 0.022 0.000 1.264 342 I HN -0.182 nan 8.210 nan 0.000 0.438 343 c N 7.106 125.805 118.600 0.165 0.000 2.341 343 c HA 0.688 5.247 4.570 -0.018 0.000 0.338 343 c C 0.105 174.188 174.090 -0.011 0.000 1.257 343 c CA -0.453 55.907 56.329 0.051 0.000 1.883 343 c CB 0.655 43.222 42.510 0.094 0.000 2.334 343 c HN 0.678 nan 8.230 nan 0.000 0.524 344 M N 5.459 125.015 119.600 -0.074 0.000 2.326 344 M HA 0.505 4.974 4.480 -0.018 0.000 0.292 344 M C -0.712 175.534 176.300 -0.089 0.000 1.081 344 M CA -0.176 55.001 55.300 -0.205 0.000 0.919 344 M CB 2.007 34.404 32.600 -0.340 0.000 1.634 344 M HN 0.969 nan 8.290 nan 0.000 0.451 345 H N 0.873 119.748 119.070 -0.325 0.000 2.969 345 H HA 0.429 4.974 4.556 -0.018 0.000 0.304 345 H C -2.151 173.064 175.328 -0.188 0.000 1.400 345 H CA -0.994 55.013 56.048 -0.068 0.000 1.182 345 H CB 1.141 30.907 29.762 0.007 0.000 1.865 345 H HN 0.762 nan 8.280 nan 0.000 0.512 346 E N 1.298 121.511 120.200 0.021 0.000 2.212 346 E HA 0.533 4.872 4.350 -0.018 0.000 0.270 346 E C -0.873 175.784 176.600 0.096 0.000 0.956 346 E CA -0.909 55.408 56.400 -0.138 0.000 0.825 346 E CB 2.774 32.532 29.700 0.096 0.000 1.167 346 E HN 0.727 nan 8.360 nan 0.000 0.400 347 E N 1.676 121.911 120.200 0.057 0.000 2.383 347 E HA 0.250 4.589 4.350 -0.018 0.000 0.275 347 E C -1.432 175.309 176.600 0.235 0.000 0.918 347 E CA -1.011 55.499 56.400 0.184 0.000 0.764 347 E CB 1.514 31.341 29.700 0.212 0.000 1.252 347 E HN 0.530 nan 8.360 nan 0.000 0.449 348 D N 1.245 121.788 120.400 0.238 0.000 2.423 348 D HA -0.042 4.587 4.640 -0.018 0.000 0.238 348 D C -0.954 175.562 176.300 0.360 0.000 1.142 348 D CA 0.065 54.211 54.000 0.244 0.000 0.884 348 D CB 0.563 41.451 40.800 0.147 0.000 1.199 348 D HN 0.513 nan 8.370 nan 0.000 0.438 349 W N 5.759 127.109 121.300 0.083 0.000 1.380 349 W HA 0.377 5.026 4.660 -0.019 0.000 0.298 349 W C 0.256 176.814 176.519 0.065 0.000 0.837 349 W CA 0.048 57.440 57.345 0.078 0.000 2.343 349 W CB 0.104 29.655 29.460 0.152 0.000 2.070 349 W HN 0.848 nan 8.180 nan 0.000 0.500 350 G N 1.908 110.629 108.800 -0.132 0.000 2.575 350 G HA2 -0.342 3.607 3.960 -0.018 0.000 0.267 350 G HA3 -0.342 3.607 3.960 -0.018 0.000 0.267 350 G C -0.327 174.551 174.900 -0.038 0.000 1.264 350 G CA -0.018 44.989 45.100 -0.155 0.000 0.935 350 G HN 0.230 nan 8.290 nan 0.000 0.568 351 I N 1.095 121.634 120.570 -0.051 0.000 2.441 351 I HA 0.268 4.427 4.170 -0.018 0.000 0.287 351 I C 1.540 177.683 176.117 0.042 0.000 1.049 351 I CA -0.458 60.840 61.300 -0.003 0.000 1.381 351 I CB 1.340 39.330 38.000 -0.016 0.000 1.409 351 I HN 0.578 nan 8.210 nan 0.000 0.523 352 L N 7.325 128.592 121.223 0.072 0.000 2.189 352 L HA 0.469 4.798 4.340 -0.018 0.000 0.199 352 L C 0.609 177.537 176.870 0.096 0.000 1.074 352 L CA 1.100 56.004 54.840 0.107 0.000 0.783 352 L CB 0.039 42.172 42.059 0.123 0.000 0.955 352 L HN 0.671 nan 8.230 nan 0.000 0.460 353 A N -0.438 122.447 122.820 0.109 0.000 2.549 353 A HA 0.684 4.993 4.320 -0.018 0.000 0.297 353 A C -1.107 176.591 177.584 0.190 0.000 1.061 353 A CA -0.573 51.560 52.037 0.160 0.000 0.690 353 A CB 1.229 20.374 19.000 0.241 0.000 1.287 353 A HN 0.107 nan 8.150 nan 0.000 0.402 354 K N 0.983 121.506 120.400 0.206 0.000 2.569 354 K HA 0.551 4.860 4.320 -0.018 0.000 0.259 354 K C -2.268 174.484 176.600 0.253 0.000 0.932 354 K CA -0.500 55.916 56.287 0.216 0.000 0.833 354 K CB 1.729 34.288 32.500 0.098 0.000 1.340 354 K HN 1.098 nan 8.250 nan 0.000 0.429 355 H N 0.329 119.481 119.070 0.136 0.000 3.129 355 H HA 0.366 4.910 4.556 -0.019 0.000 0.342 355 H C -1.960 173.398 175.328 0.050 0.000 1.092 355 H CA -0.342 55.739 56.048 0.055 0.000 1.310 355 H CB 1.908 31.676 29.762 0.009 0.000 1.932 355 H HN 0.425 nan 8.280 nan 0.000 0.507 356 S N 4.115 119.460 115.700 -0.591 0.000 2.520 356 S HA 0.171 4.630 4.470 -0.018 0.000 0.324 356 S C -0.768 173.377 174.600 -0.758 0.000 1.069 356 S CA -0.659 57.263 58.200 -0.464 0.000 1.121 356 S CB 0.457 63.520 63.200 -0.228 0.000 0.971 356 S HN 0.651 nan 8.310 nan 0.000 0.463 357 D N 2.254 122.290 120.400 -0.607 0.000 2.274 357 D HA 0.290 4.918 4.640 -0.018 0.000 0.239 357 D C 0.990 177.181 176.300 -0.182 0.000 1.104 357 D CA -0.577 53.208 54.000 -0.357 0.000 0.840 357 D CB 0.827 41.601 40.800 -0.043 0.000 1.100 357 D HN 0.264 nan 8.370 nan 0.000 0.477 358 L N 5.593 126.672 121.223 -0.240 0.000 1.994 358 L HA -0.043 4.286 4.340 -0.018 0.000 0.208 358 L C 1.431 178.292 176.870 -0.014 0.000 1.071 358 L CA 1.607 56.338 54.840 -0.182 0.000 0.745 358 L CB -0.411 41.465 42.059 -0.305 0.000 0.892 358 L HN 0.611 nan 8.230 nan 0.000 0.431 359 W N -0.145 121.162 121.300 0.012 0.000 2.358 359 W HA -0.118 4.538 4.660 -0.006 0.000 0.303 359 W C 2.958 179.482 176.519 0.008 0.000 1.208 359 W CA 1.572 58.924 57.345 0.012 0.000 1.274 359 W CB -1.764 27.708 29.460 0.019 0.000 1.138 359 W HN 0.539 nan 8.180 nan 0.000 0.515 360 S N -0.959 114.879 115.700 0.230 0.000 2.501 360 S HA 0.281 4.740 4.470 -0.018 0.000 0.220 360 S C 1.762 176.409 174.600 0.077 0.000 0.997 360 S CA 0.820 59.102 58.200 0.135 0.000 0.919 360 S CB -0.124 63.146 63.200 0.118 0.000 0.778 360 S HN 0.431 nan 8.310 nan 0.000 0.523 361 G N 1.250 110.081 108.800 0.051 0.000 2.168 361 G HA2 -0.203 3.746 3.960 -0.018 0.000 0.263 361 G HA3 -0.203 3.746 3.960 -0.018 0.000 0.263 361 G C -0.028 174.876 174.900 0.006 0.000 0.977 361 G CA 0.327 45.438 45.100 0.018 0.000 0.659 361 G HN 0.516 nan 8.290 nan 0.000 0.533 362 I N 1.149 121.724 120.570 0.009 0.000 2.331 362 I HA 0.340 4.499 4.170 -0.018 0.000 0.292 362 I C -0.267 175.846 176.117 -0.006 0.000 0.998 362 I CA -1.128 60.185 61.300 0.020 0.000 1.267 362 I CB 1.071 39.101 38.000 0.050 0.000 1.386 362 I HN -0.015 nan 8.210 nan 0.000 0.476 363 N N 6.413 125.123 118.700 0.015 0.000 2.408 363 N HA 0.322 5.051 4.740 -0.018 0.000 0.280 363 N C -1.156 174.421 175.510 0.112 0.000 1.002 363 N CA -0.362 52.694 53.050 0.010 0.000 0.907 363 N CB 2.213 40.690 38.487 -0.017 0.000 1.161 363 N HN 0.499 nan 8.380 nan 0.000 0.488 364 Y N 0.799 121.082 120.300 -0.027 0.000 2.406 364 Y HA 0.476 5.016 4.550 -0.016 0.000 0.340 364 Y C -1.103 174.805 175.900 0.013 0.000 0.975 364 Y CA -0.338 57.766 58.100 0.007 0.000 1.056 364 Y CB 1.660 40.141 38.460 0.035 0.000 1.210 364 Y HN 0.351 nan 8.280 nan 0.000 0.448 365 T N 6.930 121.307 114.554 -0.295 0.000 2.971 365 T HA 0.591 4.930 4.350 -0.018 0.000 0.304 365 T C -1.330 173.141 174.700 -0.382 0.000 1.038 365 T CA -0.983 60.984 62.100 -0.220 0.000 1.007 365 T CB 1.189 69.996 68.868 -0.101 0.000 1.055 365 T HN 0.422 nan 8.240 nan 0.000 0.451 366 R N 1.976 122.329 120.500 -0.244 0.000 2.621 366 R HA 0.514 4.843 4.340 -0.018 0.000 0.284 366 R C -0.482 175.794 176.300 -0.040 0.000 0.998 366 R CA -0.809 55.184 56.100 -0.178 0.000 0.895 366 R CB 2.381 32.582 30.300 -0.165 0.000 1.195 366 R HN 0.570 nan 8.270 nan 0.000 0.450 367 R N 1.130 121.624 120.500 -0.010 0.000 2.500 367 R HA 0.333 4.662 4.340 -0.018 0.000 0.277 367 R C 0.265 176.630 176.300 0.108 0.000 1.026 367 R CA -0.818 55.309 56.100 0.044 0.000 1.058 367 R CB 0.878 31.203 30.300 0.042 0.000 1.078 367 R HN 0.377 nan 8.270 nan 0.000 0.509 368 N N 0.756 119.559 118.700 0.171 0.000 2.485 368 N HA 0.397 5.126 4.740 -0.018 0.000 0.280 368 N C -0.940 174.786 175.510 0.359 0.000 1.205 368 N CA -0.366 52.855 53.050 0.284 0.000 0.959 368 N CB 1.178 39.887 38.487 0.370 0.000 1.206 368 N HN 0.411 nan 8.380 nan 0.000 0.545 369 R N -0.285 120.479 120.500 0.441 0.000 2.710 369 R HA 0.482 4.811 4.340 -0.018 0.000 0.270 369 R C -0.972 175.604 176.300 0.460 0.000 1.021 369 R CA -0.824 55.556 56.100 0.467 0.000 0.889 369 R CB 2.378 32.987 30.300 0.514 0.000 1.243 369 R HN 0.727 nan 8.270 nan 0.000 0.464 370 R N 1.038 121.599 120.500 0.102 0.000 2.651 370 R HA 0.515 4.844 4.340 -0.018 0.000 0.278 370 R C -1.248 174.555 176.300 -0.829 0.000 1.010 370 R CA -1.004 54.822 56.100 -0.457 0.000 0.896 370 R CB 1.708 31.313 30.300 -1.159 0.000 1.211 370 R HN 0.399 nan 8.270 nan 0.000 0.456 371 M N 2.809 121.597 119.600 -1.354 0.000 2.233 371 M HA 0.330 4.799 4.480 -0.018 0.000 0.355 371 M C -1.498 174.303 176.300 -0.833 0.000 1.191 371 M CA -0.519 53.930 55.300 -1.418 0.000 1.101 371 M CB 1.663 33.248 32.600 -1.692 0.000 1.592 371 M HN 0.522 nan 8.290 nan 0.000 0.461 372 V N 7.084 126.546 119.914 -0.753 0.000 2.495 372 V HA 0.566 4.675 4.120 -0.018 0.000 0.298 372 V C -0.503 175.329 176.094 -0.436 0.000 1.031 372 V CA -0.584 61.419 62.300 -0.496 0.000 0.871 372 V CB 1.595 33.098 31.823 -0.533 0.000 0.988 372 V HN 0.791 nan 8.190 nan 0.000 0.432 373 I N 4.655 125.064 120.570 -0.270 0.000 2.447 373 I HA 0.675 4.834 4.170 -0.018 0.000 0.287 373 I C -0.131 175.955 176.117 -0.053 0.000 1.023 373 I CA -0.035 61.171 61.300 -0.157 0.000 1.083 373 I CB 2.012 39.931 38.000 -0.134 0.000 1.245 373 I HN 0.787 nan 8.210 nan 0.000 0.434 374 S N 5.534 121.204 115.700 -0.050 0.000 2.625 374 S HA 0.865 5.324 4.470 -0.018 0.000 0.271 374 S C -0.978 173.700 174.600 0.128 0.000 1.161 374 S CA -0.746 57.375 58.200 -0.131 0.000 0.820 374 S CB 2.599 65.321 63.200 -0.796 0.000 1.137 374 S HN 0.575 nan 8.310 nan 0.000 0.470 375 F N -1.283 118.616 119.950 -0.086 0.000 2.686 375 F HA 0.895 5.411 4.527 -0.019 0.000 0.311 375 F C -2.263 173.632 175.800 0.159 0.000 1.128 375 F CA -1.628 56.429 58.000 0.096 0.000 0.946 375 F CB 0.881 39.985 39.000 0.173 0.000 1.336 375 F HN 0.630 nan 8.300 nan 0.000 0.457 376 F N 0.903 120.877 119.950 0.040 0.000 2.556 376 F HA 0.692 5.208 4.527 -0.018 0.000 0.314 376 F C -0.170 175.744 175.800 0.189 0.000 1.106 376 F CA -0.387 57.616 58.000 0.006 0.000 0.911 376 F CB 2.334 41.377 39.000 0.071 0.000 1.190 376 F HN 0.886 nan 8.300 nan 0.000 0.448 377 T N 1.895 116.700 114.554 0.418 0.000 2.916 377 T HA 0.678 5.017 4.350 -0.018 0.000 0.292 377 T C -1.201 173.775 174.700 0.460 0.000 1.064 377 T CA -0.326 62.075 62.100 0.501 0.000 1.011 377 T CB 1.445 70.649 68.868 0.559 0.000 1.152 377 T HN 0.555 nan 8.240 nan 0.000 0.510 378 T N 4.021 118.807 114.554 0.386 0.000 2.840 378 T HA 0.528 4.867 4.350 -0.018 0.000 0.287 378 T C -0.763 174.005 174.700 0.114 0.000 0.991 378 T CA -0.556 61.682 62.100 0.230 0.000 0.964 378 T CB 0.519 69.486 68.868 0.164 0.000 0.954 378 T HN 0.417 nan 8.240 nan 0.000 0.438 379 I N 3.910 124.523 120.570 0.071 0.000 2.460 379 I HA 0.387 4.546 4.170 -0.018 0.000 0.277 379 I C 1.339 177.382 176.117 -0.123 0.000 1.057 379 I CA 0.085 61.333 61.300 -0.087 0.000 1.179 379 I CB -0.241 37.774 38.000 0.024 0.000 1.329 379 I HN 0.961 nan 8.210 nan 0.000 0.478 380 G N 6.920 115.627 108.800 -0.154 0.000 2.620 380 G HA2 -0.409 3.540 3.960 -0.018 0.000 0.315 380 G HA3 -0.409 3.540 3.960 -0.018 0.000 0.315 380 G C 0.997 175.832 174.900 -0.109 0.000 1.179 380 G CA 0.735 45.815 45.100 -0.032 0.000 0.971 380 G HN 0.596 nan 8.290 nan 0.000 0.544 381 N N 0.134 118.550 118.700 -0.472 0.000 2.376 381 N HA 0.051 4.780 4.740 -0.018 0.000 0.177 381 N C 0.624 175.743 175.510 -0.651 0.000 1.024 381 N CA 1.177 53.598 53.050 -1.047 0.000 0.893 381 N CB 0.031 37.326 38.487 -1.986 0.000 0.980 381 N HN 0.523 nan 8.380 nan 0.000 0.439 382 Y N 1.189 121.258 120.300 -0.384 0.000 2.403 382 Y HA 0.419 4.958 4.550 -0.018 0.000 0.323 382 Y C -0.532 175.143 175.900 -0.374 0.000 1.226 382 Y CA -1.261 56.589 58.100 -0.418 0.000 1.235 382 Y CB 1.179 39.334 38.460 -0.510 0.000 1.248 382 Y HN -0.060 nan 8.280 nan 0.000 0.489 383 D N 0.725 120.985 120.400 -0.233 0.000 2.757 383 D HA 0.352 4.981 4.640 -0.018 0.000 0.249 383 D C -1.683 174.495 176.300 -0.203 0.000 1.168 383 D CA -0.382 53.599 54.000 -0.032 0.000 0.870 383 D CB 1.131 42.028 40.800 0.161 0.000 1.411 383 D HN 0.228 nan 8.370 nan 0.000 0.525 384 Y N 0.383 120.755 120.300 0.119 0.000 2.364 384 Y HA 0.638 5.177 4.550 -0.018 0.000 0.340 384 Y C 0.792 176.154 175.900 -0.896 0.000 0.975 384 Y CA -1.147 56.789 58.100 -0.273 0.000 1.089 384 Y CB 2.337 40.718 38.460 -0.131 0.000 1.192 384 Y HN 0.440 nan 8.280 nan 0.000 0.454 385 G N 2.548 110.588 108.800 -1.267 0.000 2.343 385 G HA2 0.576 4.525 3.960 -0.018 0.000 0.319 385 G HA3 0.576 4.525 3.960 -0.018 0.000 0.319 385 G C -1.620 172.840 174.900 -0.733 0.000 1.126 385 G CA -0.411 43.801 45.100 -1.480 0.000 0.889 385 G HN 0.353 nan 8.290 nan 0.000 0.457 386 F N 1.574 121.052 119.950 -0.786 0.000 2.402 386 F HA 0.472 4.988 4.527 -0.019 0.000 0.355 386 F C -0.747 174.704 175.800 -0.583 0.000 1.123 386 F CA -0.907 56.803 58.000 -0.483 0.000 1.021 386 F CB 1.714 40.596 39.000 -0.197 0.000 1.160 386 F HN 0.295 nan 8.300 nan 0.000 0.451 387 Y N 1.345 121.159 120.300 -0.809 0.000 2.376 387 Y HA 0.464 5.003 4.550 -0.018 0.000 0.340 387 Y C -1.070 174.070 175.900 -1.267 0.000 0.965 387 Y CA -1.674 55.908 58.100 -0.862 0.000 1.078 387 Y CB 1.377 39.289 38.460 -0.914 0.000 1.193 387 Y HN 0.514 nan 8.280 nan 0.000 0.452 388 W N 3.292 124.226 121.300 -0.611 0.000 2.573 388 W HA 0.626 5.275 4.660 -0.019 0.000 0.326 388 W C -1.432 174.652 176.519 -0.724 0.000 1.049 388 W CA -0.748 56.276 57.345 -0.535 0.000 1.220 388 W CB 1.181 30.503 29.460 -0.229 0.000 1.373 388 W HN 0.320 nan 8.180 nan 0.000 0.507 389 Y N 2.718 122.910 120.300 -0.179 0.000 2.446 389 Y HA 0.681 5.220 4.550 -0.018 0.000 0.345 389 Y C -0.294 175.291 175.900 -0.525 0.000 0.984 389 Y CA -1.699 56.106 58.100 -0.493 0.000 1.058 389 Y CB 1.266 39.319 38.460 -0.677 0.000 1.220 389 Y HN 0.069 nan 8.280 nan 0.000 0.455 390 L N 3.814 124.683 121.223 -0.590 0.000 2.376 390 L HA 0.518 4.847 4.340 -0.018 0.000 0.275 390 L C -1.271 175.415 176.870 -0.306 0.000 0.987 390 L CA -0.815 53.630 54.840 -0.658 0.000 0.828 390 L CB 1.332 42.672 42.059 -1.200 0.000 1.249 390 L HN 0.607 nan 8.230 nan 0.000 0.409 391 Y N 1.882 122.352 120.300 0.283 0.000 2.453 391 Y HA 0.325 4.864 4.550 -0.018 0.000 0.326 391 Y C 1.208 177.569 175.900 0.768 0.000 1.186 391 Y CA -0.770 57.605 58.100 0.459 0.000 1.200 391 Y CB 1.391 40.005 38.460 0.257 0.000 1.247 391 Y HN 0.436 nan 8.280 nan 0.000 0.482 392 L N 0.638 122.283 121.223 0.704 0.000 2.079 392 L HA -0.205 4.124 4.340 -0.018 0.000 0.210 392 L C 1.745 178.858 176.870 0.404 0.000 1.081 392 L CA 1.672 56.782 54.840 0.452 0.000 0.752 392 L CB -0.343 41.861 42.059 0.241 0.000 0.896 392 L HN 0.770 nan 8.230 nan 0.000 0.433 393 D N -0.403 120.210 120.400 0.355 0.000 2.363 393 D HA -0.039 4.590 4.640 -0.018 0.000 0.226 393 D C 1.439 177.804 176.300 0.109 0.000 1.020 393 D CA 0.969 55.063 54.000 0.157 0.000 0.892 393 D CB 0.293 41.165 40.800 0.120 0.000 0.900 393 D HN 0.359 nan 8.370 nan 0.000 0.531 394 G N -0.563 108.469 108.800 0.388 0.000 2.179 394 G HA2 -0.229 3.720 3.960 -0.018 0.000 0.220 394 G HA3 -0.229 3.720 3.960 -0.018 0.000 0.220 394 G C 0.360 175.717 174.900 0.763 0.000 0.990 394 G CA 0.160 45.484 45.100 0.373 0.000 0.646 394 G HN 0.443 nan 8.290 nan 0.000 0.517 395 T N 1.349 116.289 114.554 0.643 0.000 2.907 395 T HA 0.573 4.912 4.350 -0.018 0.000 0.298 395 T C 0.539 175.620 174.700 0.636 0.000 1.017 395 T CA 0.409 62.837 62.100 0.545 0.000 1.118 395 T CB 1.187 70.198 68.868 0.238 0.000 0.948 395 T HN 0.324 nan 8.240 nan 0.000 0.531 396 I N 2.644 123.507 120.570 0.488 0.000 2.433 396 I HA 0.501 4.660 4.170 -0.018 0.000 0.292 396 I C 0.137 176.411 176.117 0.261 0.000 1.001 396 I CA -0.629 60.845 61.300 0.290 0.000 1.119 396 I CB 1.853 39.992 38.000 0.233 0.000 1.289 396 I HN 0.605 nan 8.210 nan 0.000 0.438 397 E N 5.638 125.950 120.200 0.186 0.000 2.383 397 E HA 0.503 4.842 4.350 -0.018 0.000 0.275 397 E C -2.045 174.393 176.600 -0.270 0.000 0.918 397 E CA -0.635 55.774 56.400 0.015 0.000 0.764 397 E CB 2.823 32.671 29.700 0.246 0.000 1.252 397 E HN 0.420 nan 8.360 nan 0.000 0.449 398 F N 2.120 121.521 119.950 -0.915 0.000 2.551 398 F HA 0.534 5.050 4.527 -0.019 0.000 0.316 398 F C -1.269 173.984 175.800 -0.913 0.000 1.089 398 F CA -0.480 56.776 58.000 -1.240 0.000 0.915 398 F CB 1.884 39.789 39.000 -1.825 0.000 1.186 398 F HN 0.517 nan 8.300 nan 0.000 0.456 399 E N 4.083 123.100 120.200 -1.971 0.000 2.290 399 E HA 0.682 5.021 4.350 -0.018 0.000 0.274 399 E C -1.937 173.758 176.600 -1.508 0.000 0.889 399 E CA -0.958 54.694 56.400 -1.246 0.000 0.760 399 E CB 1.824 31.184 29.700 -0.565 0.000 1.206 399 E HN 0.891 nan 8.360 nan 0.000 0.419 400 A N 4.317 126.538 122.820 -0.997 0.000 2.312 400 A HA 0.595 4.904 4.320 -0.018 0.000 0.326 400 A C -0.802 176.457 177.584 -0.543 0.000 1.172 400 A CA -0.670 50.829 52.037 -0.897 0.000 0.821 400 A CB 0.876 19.150 19.000 -1.209 0.000 1.166 400 A HN 0.551 nan 8.150 nan 0.000 0.493 401 K N 1.382 121.508 120.400 -0.458 0.000 2.450 401 K HA 0.580 4.889 4.320 -0.018 0.000 0.257 401 K C -0.782 175.705 176.600 -0.189 0.000 0.953 401 K CA -0.318 55.806 56.287 -0.271 0.000 0.844 401 K CB 2.178 34.551 32.500 -0.212 0.000 1.103 401 K HN 0.746 nan 8.250 nan 0.000 0.429 402 A N 2.417 125.155 122.820 -0.138 0.000 2.288 402 A HA 0.625 4.934 4.320 -0.018 0.000 0.320 402 A C -0.203 177.259 177.584 -0.203 0.000 1.217 402 A CA -0.310 51.585 52.037 -0.236 0.000 0.840 402 A CB 1.409 20.201 19.000 -0.347 0.000 1.179 402 A HN 0.661 nan 8.150 nan 0.000 0.504 403 T N 0.707 115.131 114.554 -0.216 0.000 2.626 403 T HA 0.803 5.142 4.350 -0.018 0.000 0.299 403 T C 0.232 174.915 174.700 -0.028 0.000 1.181 403 T CA 1.006 63.057 62.100 -0.082 0.000 1.053 403 T CB 0.852 69.712 68.868 -0.014 0.000 1.566 403 T HN 2.671 nan 8.240 nan 0.000 0.486 404 G N -0.147 108.624 108.800 -0.049 0.000 2.416 404 G HA2 0.051 4.000 3.960 -0.018 0.000 0.203 404 G HA3 0.051 4.000 3.960 -0.018 0.000 0.203 404 G C -1.269 173.542 174.900 -0.149 0.000 1.227 404 G CA -0.226 44.819 45.100 -0.092 0.000 1.041 404 G HN 1.357 nan 8.290 nan 0.000 0.546 405 V N 1.495 121.217 119.914 -0.319 0.000 2.398 405 V HA 0.590 4.699 4.120 -0.018 0.000 0.286 405 V C 1.230 176.999 176.094 -0.542 0.000 1.026 405 V CA -0.098 61.983 62.300 -0.366 0.000 0.868 405 V CB 0.939 32.472 31.823 -0.484 0.000 0.982 405 V HN 1.698 nan 8.190 nan 0.000 0.443 406 V N 2.487 122.307 119.914 -0.157 0.000 2.872 406 V HA 0.331 4.440 4.120 -0.018 0.000 0.307 406 V C -0.098 175.883 176.094 -0.188 0.000 1.072 406 V CA -0.255 61.970 62.300 -0.125 0.000 1.148 406 V CB 0.220 32.193 31.823 0.250 0.000 0.954 406 V HN 0.598 nan 8.190 nan 0.000 0.490 407 F N 4.543 124.304 119.950 -0.315 0.000 2.495 407 F HA 0.501 5.016 4.527 -0.018 0.000 0.365 407 F C 1.023 176.885 175.800 0.102 0.000 1.090 407 F CA 0.626 58.543 58.000 -0.138 0.000 1.235 407 F CB 0.860 39.778 39.000 -0.138 0.000 1.119 407 F HN 1.018 nan 8.300 nan 0.000 0.562 408 T N 1.576 116.098 114.554 -0.053 0.000 2.948 408 T HA 0.836 5.175 4.350 -0.018 0.000 0.285 408 T C -0.257 174.497 174.700 0.090 0.000 1.019 408 T CA -0.254 61.890 62.100 0.073 0.000 1.013 408 T CB 1.626 70.520 68.868 0.044 0.000 1.117 408 T HN 0.734 nan 8.240 nan 0.000 0.533 409 S N -0.456 115.269 115.700 0.042 0.000 2.752 409 S HA 0.789 5.248 4.470 -0.018 0.000 0.284 409 S C -0.607 173.968 174.600 -0.041 0.000 1.189 409 S CA -0.805 57.378 58.200 -0.028 0.000 0.835 409 S CB 0.783 63.978 63.200 -0.008 0.000 1.192 409 S HN 1.415 nan 8.310 nan 0.000 0.506 410 A N 0.388 123.147 122.820 -0.102 0.000 2.302 410 A HA 0.717 5.026 4.320 -0.018 0.000 0.285 410 A C -0.889 176.742 177.584 0.079 0.000 1.105 410 A CA -0.433 51.602 52.037 -0.005 0.000 0.816 410 A CB -0.062 18.937 19.000 -0.001 0.000 1.067 410 A HN 0.949 nan 8.150 nan 0.000 0.489 411 F N 3.898 123.848 119.950 -0.001 0.000 2.385 411 F HA 0.486 5.002 4.527 -0.018 0.000 0.360 411 F C -1.777 174.060 175.800 0.061 0.000 1.122 411 F CA -2.583 55.421 58.000 0.006 0.000 1.090 411 F CB 1.131 40.124 39.000 -0.012 0.000 1.150 411 F HN 0.392 nan 8.300 nan 0.000 0.472 412 P HA 0.018 nan 4.420 nan 0.000 0.269 412 P C 0.317 177.443 177.300 -0.291 0.000 1.209 412 P CA 0.017 62.971 63.100 -0.244 0.000 0.776 412 P CB 1.023 32.591 31.700 -0.219 0.000 0.876 413 E N 2.388 122.525 120.200 -0.105 0.000 2.049 413 E HA -0.135 4.204 4.350 -0.018 0.000 0.198 413 E C 1.971 178.532 176.600 -0.065 0.000 1.007 413 E CA 2.020 58.389 56.400 -0.050 0.000 0.809 413 E CB -0.950 28.728 29.700 -0.036 0.000 0.749 413 E HN 0.762 nan 8.360 nan 0.000 0.450 414 G N 0.214 108.960 108.800 -0.090 0.000 2.990 414 G HA2 0.231 4.180 3.960 -0.018 0.000 0.206 414 G HA3 0.231 4.180 3.960 -0.018 0.000 0.206 414 G C 0.690 175.536 174.900 -0.090 0.000 1.169 414 G CA 0.660 45.720 45.100 -0.067 0.000 0.819 414 G HN 0.511 nan 8.290 nan 0.000 0.517 415 G N -1.396 107.284 108.800 -0.199 0.000 2.728 415 G HA2 0.208 4.157 3.960 -0.018 0.000 0.294 415 G HA3 0.208 4.157 3.960 -0.018 0.000 0.294 415 G C -0.351 174.355 174.900 -0.323 0.000 1.342 415 G CA 0.004 44.972 45.100 -0.220 0.000 0.866 415 G HN 1.298 nan 8.290 nan 0.000 0.534 416 S N -1.348 114.248 115.700 -0.173 0.000 2.537 416 S HA 0.621 5.080 4.470 -0.018 0.000 0.271 416 S C -0.423 174.163 174.600 -0.024 0.000 1.148 416 S CA 0.327 58.440 58.200 -0.146 0.000 0.868 416 S CB 1.798 64.844 63.200 -0.256 0.000 1.115 416 S HN 0.608 nan 8.310 nan 0.000 0.461 417 D N 2.274 122.651 120.400 -0.038 0.000 2.369 417 D HA 0.225 4.854 4.640 -0.018 0.000 0.211 417 D C 0.192 176.484 176.300 -0.013 0.000 1.077 417 D CA 0.351 54.375 54.000 0.041 0.000 0.842 417 D CB 0.112 40.947 40.800 0.058 0.000 0.947 417 D HN 0.611 nan 8.370 nan 0.000 0.509 418 N N -0.422 118.091 118.700 -0.312 0.000 2.184 418 N HA 0.261 4.990 4.740 -0.018 0.000 0.234 418 N C -0.372 174.400 175.510 -1.230 0.000 1.282 418 N CA -0.007 52.655 53.050 -0.647 0.000 0.877 418 N CB 1.743 40.123 38.487 -0.179 0.000 1.184 418 N HN -0.015 nan 8.380 nan 0.000 0.510 419 I N 0.431 120.408 120.570 -0.988 0.000 2.722 419 I HA 0.358 4.517 4.170 -0.018 0.000 0.295 419 I C -0.680 175.441 176.117 0.007 0.000 1.161 419 I CA -0.982 60.050 61.300 -0.445 0.000 1.032 419 I CB 2.207 40.172 38.000 -0.060 0.000 1.244 419 I HN -0.033 nan 8.210 nan 0.000 0.421 420 S N 3.818 119.685 115.700 0.278 0.000 2.638 420 S HA 0.523 4.982 4.470 -0.018 0.000 0.298 420 S C -0.742 173.845 174.600 -0.021 0.000 1.111 420 S CA -0.796 57.589 58.200 0.309 0.000 1.027 420 S CB 2.105 65.571 63.200 0.444 0.000 1.064 420 S HN 0.673 nan 8.310 nan 0.000 0.525 421 Q N 0.846 120.356 119.800 -0.483 0.000 2.274 421 Q HA 0.454 4.783 4.340 -0.018 0.000 0.256 421 Q C -0.131 175.655 176.000 -0.357 0.000 0.927 421 Q CA -0.529 54.803 55.803 -0.785 0.000 0.939 421 Q CB 0.814 28.714 28.738 -1.396 0.000 1.201 421 Q HN 0.867 nan 8.270 nan 0.000 0.426 422 L N 2.032 123.062 121.223 -0.322 0.000 2.425 422 L HA 0.513 4.842 4.340 -0.018 0.000 0.215 422 L C 0.427 177.129 176.870 -0.280 0.000 1.065 422 L CA 0.162 54.834 54.840 -0.279 0.000 0.842 422 L CB 0.500 42.276 42.059 -0.471 0.000 1.033 422 L HN 0.637 nan 8.230 nan 0.000 0.474 423 A N -1.119 121.512 122.820 -0.315 0.000 2.581 423 A HA 0.629 4.938 4.320 -0.018 0.000 0.290 423 A C -2.720 174.781 177.584 -0.139 0.000 1.119 423 A CA -1.029 50.898 52.037 -0.185 0.000 0.670 423 A CB 0.343 19.233 19.000 -0.184 0.000 1.280 423 A HN -0.235 nan 8.150 nan 0.000 0.425 424 P HA 0.268 nan 4.420 nan 0.000 0.258 424 P C 1.011 178.319 177.300 0.014 0.000 1.187 424 P CA 2.451 65.544 63.100 -0.011 0.000 0.767 424 P CB 0.275 31.984 31.700 0.015 0.000 0.770 425 G N 2.468 111.306 108.800 0.063 0.000 2.212 425 G HA2 -0.286 3.663 3.960 -0.018 0.000 0.266 425 G HA3 -0.286 3.663 3.960 -0.018 0.000 0.266 425 G C -0.096 174.860 174.900 0.093 0.000 0.978 425 G CA -0.113 45.058 45.100 0.118 0.000 0.632 425 G HN 0.560 nan 8.290 nan 0.000 0.537 426 L N 1.922 123.132 121.223 -0.023 0.000 2.264 426 L HA 0.765 5.094 4.340 -0.018 0.000 0.289 426 L C 0.748 177.556 176.870 -0.103 0.000 1.044 426 L CA 0.169 54.934 54.840 -0.124 0.000 0.807 426 L CB 1.014 42.860 42.059 -0.354 0.000 1.192 426 L HN 0.377 nan 8.230 nan 0.000 0.425 427 G N 3.449 112.254 108.800 0.009 0.000 2.489 427 G HA2 0.761 4.710 3.960 -0.018 0.000 0.327 427 G HA3 0.761 4.710 3.960 -0.018 0.000 0.327 427 G C -1.560 173.376 174.900 0.061 0.000 1.189 427 G CA -0.320 44.851 45.100 0.118 0.000 0.962 427 G HN 0.946 nan 8.290 nan 0.000 0.486 428 A N 1.497 124.404 122.820 0.145 0.000 2.522 428 A HA 0.739 5.048 4.320 -0.018 0.000 0.285 428 A C -2.818 174.957 177.584 0.319 0.000 1.198 428 A CA -1.288 50.885 52.037 0.226 0.000 0.742 428 A CB 1.546 20.684 19.000 0.230 0.000 1.176 428 A HN 0.407 nan 8.150 nan 0.000 0.444 429 P HA 0.170 nan 4.420 nan 0.000 0.266 429 P C -0.408 177.219 177.300 0.546 0.000 1.195 429 P CA 0.294 63.582 63.100 0.314 0.000 0.768 429 P CB 0.167 32.098 31.700 0.386 0.000 0.838 430 F N 3.594 123.713 119.950 0.282 0.000 2.506 430 F HA 0.243 4.759 4.527 -0.018 0.000 0.351 430 F C 1.593 177.392 175.800 -0.001 0.000 1.136 430 F CA 0.404 58.488 58.000 0.139 0.000 1.298 430 F CB -0.399 38.696 39.000 0.158 0.000 1.145 430 F HN 0.488 nan 8.300 nan 0.000 0.593 431 H N -0.092 118.869 119.070 -0.183 0.000 2.932 431 H HA 0.502 5.047 4.556 -0.018 0.000 0.307 431 H C -1.788 173.214 175.328 -0.543 0.000 1.391 431 H CA -1.105 54.614 56.048 -0.549 0.000 1.130 431 H CB 1.393 30.404 29.762 -1.253 0.000 1.836 431 H HN 0.585 nan 8.280 nan 0.000 0.522 432 Q N -0.002 119.432 119.800 -0.610 0.000 2.433 432 Q HA 0.360 4.689 4.340 -0.018 0.000 0.279 432 Q C -1.060 174.491 176.000 -0.747 0.000 1.105 432 Q CA -0.981 54.456 55.803 -0.610 0.000 0.815 432 Q CB 2.785 31.279 28.738 -0.407 0.000 1.403 432 Q HN 0.535 nan 8.270 nan 0.000 0.435 433 H N 1.552 120.356 119.070 -0.444 0.000 2.786 433 H HA 0.426 4.971 4.556 -0.018 0.000 0.284 433 H C -0.906 174.076 175.328 -0.576 0.000 1.104 433 H CA -0.139 55.612 56.048 -0.496 0.000 1.339 433 H CB 0.444 29.976 29.762 -0.384 0.000 1.427 433 H HN 0.434 nan 8.280 nan 0.000 0.497 434 I N 3.967 124.180 120.570 -0.595 0.000 2.406 434 I HA 0.243 4.402 4.170 -0.018 0.000 0.290 434 I C -0.517 175.212 176.117 -0.646 0.000 0.999 434 I CA -0.624 60.379 61.300 -0.495 0.000 1.124 434 I CB 1.070 38.868 38.000 -0.337 0.000 1.289 434 I HN 0.158 nan 8.210 nan 0.000 0.441 435 F N 3.153 122.791 119.950 -0.520 0.000 2.483 435 F HA 0.533 5.049 4.527 -0.018 0.000 0.329 435 F C 0.606 176.172 175.800 -0.390 0.000 1.064 435 F CA -0.903 56.765 58.000 -0.553 0.000 0.986 435 F CB 1.731 40.146 39.000 -0.975 0.000 1.218 435 F HN 0.263 nan 8.300 nan 0.000 0.484 436 S N 1.126 116.857 115.700 0.051 0.000 2.659 436 S HA 0.777 5.236 4.470 -0.018 0.000 0.312 436 S C -0.925 173.787 174.600 0.187 0.000 1.114 436 S CA -0.538 57.737 58.200 0.125 0.000 1.063 436 S CB 0.486 63.608 63.200 -0.130 0.000 0.996 436 S HN 0.849 nan 8.310 nan 0.000 0.478 437 A N 4.907 127.896 122.820 0.282 0.000 2.260 437 A HA 0.608 4.917 4.320 -0.018 0.000 0.308 437 A C 0.146 177.754 177.584 0.041 0.000 1.254 437 A CA -0.686 51.465 52.037 0.190 0.000 0.874 437 A CB 0.352 19.441 19.000 0.147 0.000 1.153 437 A HN 0.862 nan 8.150 nan 0.000 0.527 438 R N 3.444 123.898 120.500 -0.076 0.000 2.207 438 R HA 0.523 4.852 4.340 -0.018 0.000 0.334 438 R C -1.503 174.601 176.300 -0.327 0.000 1.013 438 R CA -0.322 55.519 56.100 -0.432 0.000 0.858 438 R CB 0.259 30.168 30.300 -0.652 0.000 1.094 438 R HN 0.709 nan 8.270 nan 0.000 0.457 439 L N 4.572 125.592 121.223 -0.337 0.000 2.337 439 L HA 0.245 4.574 4.340 -0.018 0.000 0.269 439 L C -0.440 176.306 176.870 -0.207 0.000 1.018 439 L CA -0.853 53.871 54.840 -0.193 0.000 0.876 439 L CB 1.433 43.443 42.059 -0.081 0.000 1.236 439 L HN 0.558 nan 8.230 nan 0.000 0.436 440 D N 4.825 125.112 120.400 -0.189 0.000 2.383 440 D HA 0.126 4.755 4.640 -0.018 0.000 0.245 440 D C 0.241 176.522 176.300 -0.031 0.000 1.263 440 D CA -0.171 53.774 54.000 -0.091 0.000 0.936 440 D CB 0.548 41.312 40.800 -0.060 0.000 1.053 440 D HN 0.148 nan 8.370 nan 0.000 0.507 441 M N 2.174 121.775 119.600 0.001 0.000 2.243 441 M HA 0.339 4.808 4.480 -0.018 0.000 0.341 441 M C 0.471 176.791 176.300 0.035 0.000 1.130 441 M CA -0.364 54.939 55.300 0.006 0.000 1.162 441 M CB 0.759 33.376 32.600 0.028 0.000 1.497 441 M HN 0.466 nan 8.290 nan 0.000 0.456 442 A N 3.441 126.219 122.820 -0.069 0.000 3.368 442 A HA 0.365 4.674 4.320 -0.018 0.000 0.211 442 A C -0.340 177.155 177.584 -0.148 0.000 1.004 442 A CA -0.553 51.363 52.037 -0.202 0.000 1.059 442 A CB 0.091 18.819 19.000 -0.453 0.000 1.298 442 A HN 0.618 nan 8.150 nan 0.000 0.613 443 I N 1.622 122.168 120.570 -0.040 0.000 2.691 443 I HA 0.025 4.184 4.170 -0.018 0.000 0.288 443 I C 0.435 176.608 176.117 0.093 0.000 1.143 443 I CA 0.904 62.245 61.300 0.068 0.000 1.364 443 I CB -1.044 37.037 38.000 0.135 0.000 1.435 443 I HN 0.479 nan 8.210 nan 0.000 0.551 444 D N 4.897 125.371 120.400 0.123 0.000 2.911 444 D HA -0.161 4.468 4.640 -0.018 0.000 0.227 444 D C 0.622 176.884 176.300 -0.063 0.000 1.164 444 D CA 1.702 55.714 54.000 0.020 0.000 0.782 444 D CB -0.732 40.044 40.800 -0.041 0.000 1.094 444 D HN 1.110 nan 8.370 nan 0.000 0.425 445 G N -2.389 106.323 108.800 -0.148 0.000 2.347 445 G HA2 -0.003 3.946 3.960 -0.018 0.000 0.341 445 G HA3 -0.003 3.946 3.960 -0.018 0.000 0.341 445 G C 0.136 174.884 174.900 -0.253 0.000 1.287 445 G CA -0.393 44.565 45.100 -0.236 0.000 0.984 445 G HN 0.013 nan 8.290 nan 0.000 0.526 446 F N 0.689 120.633 119.950 -0.011 0.000 2.710 446 F HA 0.228 4.744 4.527 -0.018 0.000 0.298 446 F C 2.259 178.061 175.800 0.003 0.000 1.137 446 F CA 1.096 59.085 58.000 -0.019 0.000 1.444 446 F CB 0.335 39.309 39.000 -0.044 0.000 1.111 446 F HN 0.273 nan 8.300 nan 0.000 0.580 447 T N 2.386 117.035 114.554 0.159 0.000 2.978 447 T HA 0.145 4.484 4.350 -0.018 0.000 0.278 447 T C -0.040 174.715 174.700 0.092 0.000 0.945 447 T CA 0.017 62.184 62.100 0.112 0.000 1.070 447 T CB -0.791 68.123 68.868 0.077 0.000 0.948 447 T HN 0.217 nan 8.240 nan 0.000 0.617 448 N N 2.100 120.863 118.700 0.105 0.000 2.453 448 N HA 0.780 5.509 4.740 -0.018 0.000 0.290 448 N C -0.425 175.141 175.510 0.093 0.000 1.250 448 N CA -1.336 51.771 53.050 0.095 0.000 0.815 448 N CB 2.015 40.563 38.487 0.101 0.000 1.381 448 N HN 0.480 nan 8.380 nan 0.000 0.510 449 R N -1.115 119.440 120.500 0.092 0.000 2.710 449 R HA 0.598 4.927 4.340 -0.018 0.000 0.270 449 R C -2.108 174.253 176.300 0.103 0.000 1.021 449 R CA -0.792 55.364 56.100 0.092 0.000 0.889 449 R CB 0.909 31.256 30.300 0.079 0.000 1.243 449 R HN 0.194 nan 8.270 nan 0.000 0.464 450 V N 1.242 121.223 119.914 0.111 0.000 2.555 450 V HA 0.424 4.533 4.120 -0.018 0.000 0.302 450 V C -0.470 175.711 176.094 0.144 0.000 1.038 450 V CA -0.699 61.683 62.300 0.137 0.000 0.887 450 V CB 1.722 33.632 31.823 0.144 0.000 0.991 450 V HN 0.757 nan 8.190 nan 0.000 0.434 451 E N 2.451 122.743 120.200 0.154 0.000 2.222 451 E HA 0.446 4.785 4.350 -0.018 0.000 0.267 451 E C -0.938 175.753 176.600 0.151 0.000 0.884 451 E CA -0.661 55.814 56.400 0.125 0.000 0.764 451 E CB 2.821 32.565 29.700 0.073 0.000 1.169 451 E HN 0.723 nan 8.360 nan 0.000 0.413 452 E N 2.612 122.887 120.200 0.125 0.000 2.167 452 E HA 0.075 4.414 4.350 -0.018 0.000 0.284 452 E C -1.009 175.520 176.600 -0.119 0.000 1.016 452 E CA -0.286 56.114 56.400 0.001 0.000 0.817 452 E CB 0.940 30.703 29.700 0.105 0.000 1.080 452 E HN 0.407 nan 8.360 nan 0.000 0.397 453 E N 4.247 124.297 120.200 -0.251 0.000 2.133 453 E HA 0.184 4.523 4.350 -0.018 0.000 0.274 453 E C -1.276 175.197 176.600 -0.213 0.000 0.930 453 E CA -0.784 55.508 56.400 -0.179 0.000 0.770 453 E CB 0.952 30.564 29.700 -0.147 0.000 1.104 453 E HN 0.403 nan 8.360 nan 0.000 0.403 454 D N 2.683 123.007 120.400 -0.127 0.000 2.481 454 D HA 0.250 4.879 4.640 -0.018 0.000 0.244 454 D C -0.521 175.746 176.300 -0.054 0.000 1.057 454 D CA -0.544 53.392 54.000 -0.108 0.000 0.848 454 D CB 2.177 42.929 40.800 -0.080 0.000 1.388 454 D HN 0.162 nan 8.370 nan 0.000 0.475 455 V N 1.480 121.365 119.914 -0.049 0.000 2.843 455 V HA 0.186 4.295 4.120 -0.018 0.000 0.305 455 V C 0.196 176.294 176.094 0.008 0.000 1.065 455 V CA -0.148 62.148 62.300 -0.007 0.000 1.116 455 V CB 1.380 33.173 31.823 -0.051 0.000 0.968 455 V HN 0.271 nan 8.190 nan 0.000 0.487 456 V N 6.008 125.959 119.914 0.061 0.000 2.444 456 V HA 0.447 4.556 4.120 -0.018 0.000 0.294 456 V C 0.162 176.311 176.094 0.091 0.000 1.022 456 V CA -0.806 61.528 62.300 0.056 0.000 0.850 456 V CB 1.612 33.465 31.823 0.050 0.000 0.992 456 V HN 0.812 nan 8.190 nan 0.000 0.426 457 R N 3.476 124.007 120.500 0.053 0.000 2.459 457 R HA 0.582 4.911 4.340 -0.018 0.000 0.281 457 R C -0.570 175.768 176.300 0.063 0.000 1.050 457 R CA -0.501 55.637 56.100 0.065 0.000 1.055 457 R CB 1.237 31.550 30.300 0.021 0.000 1.045 457 R HN 0.670 nan 8.270 nan 0.000 0.495 458 Q N 0.388 120.233 119.800 0.076 0.000 2.345 458 Q HA 0.304 4.633 4.340 -0.018 0.000 0.268 458 Q C -0.756 175.268 176.000 0.039 0.000 1.054 458 Q CA -0.703 55.131 55.803 0.051 0.000 0.835 458 Q CB 2.600 31.369 28.738 0.051 0.000 1.339 458 Q HN 0.462 nan 8.270 nan 0.000 0.447 459 T N 1.882 116.452 114.554 0.026 0.000 2.897 459 T HA 0.258 4.597 4.350 -0.018 0.000 0.294 459 T C 0.036 174.747 174.700 0.019 0.000 1.004 459 T CA -0.415 61.697 62.100 0.020 0.000 1.106 459 T CB 0.524 69.401 68.868 0.014 0.000 0.949 459 T HN 0.466 nan 8.240 nan 0.000 0.520 460 M N 2.778 122.388 119.600 0.017 0.000 2.239 460 M HA 0.446 4.915 4.480 -0.018 0.000 0.348 460 M C 0.474 176.780 176.300 0.010 0.000 1.239 460 M CA 0.863 56.172 55.300 0.015 0.000 1.114 460 M CB -0.418 32.191 32.600 0.014 0.000 1.641 460 M HN 0.916 nan 8.290 nan 0.000 0.453 461 G N 4.403 113.208 108.800 0.008 0.000 2.344 461 G HA2 0.203 4.152 3.960 -0.018 0.000 0.282 461 G HA3 0.203 4.152 3.960 -0.018 0.000 0.282 461 G C -3.319 171.583 174.900 0.004 0.000 1.281 461 G CA -1.008 44.096 45.100 0.006 0.000 0.877 461 G HN 0.481 nan 8.290 nan 0.000 0.494 462 P HA 0.275 nan 4.420 nan 0.000 0.261 462 P C 1.051 178.351 177.300 -0.001 0.000 1.183 462 P CA 2.014 65.114 63.100 0.000 0.000 0.761 462 P CB 0.714 32.415 31.700 0.000 0.000 0.785 463 G N 3.030 111.828 108.800 -0.003 0.000 2.225 463 G HA2 -0.268 3.681 3.960 -0.018 0.000 0.254 463 G HA3 -0.268 3.681 3.960 -0.018 0.000 0.254 463 G C 0.420 175.316 174.900 -0.007 0.000 0.988 463 G CA 0.339 45.436 45.100 -0.006 0.000 0.625 463 G HN 0.695 nan 8.290 nan 0.000 0.527 464 N N 0.149 118.848 118.700 -0.002 0.000 2.620 464 N HA 0.365 5.094 4.740 -0.018 0.000 0.277 464 N C 0.989 176.501 175.510 0.004 0.000 1.726 464 N CA 0.414 53.464 53.050 0.000 0.000 0.840 464 N CB 0.482 38.971 38.487 0.005 0.000 1.379 464 N HN 0.145 nan 8.380 nan 0.000 0.506 465 E N 0.138 120.339 120.200 0.002 0.000 2.118 465 E HA -0.058 4.281 4.350 -0.018 0.000 0.195 465 E C 1.174 177.778 176.600 0.006 0.000 0.992 465 E CA 1.322 57.724 56.400 0.003 0.000 0.804 465 E CB 0.098 29.799 29.700 0.001 0.000 0.741 465 E HN 0.393 nan 8.360 nan 0.000 0.458 466 R N -0.826 119.678 120.500 0.007 0.000 2.310 466 R HA 0.148 4.477 4.340 -0.018 0.000 0.202 466 R C 0.799 177.109 176.300 0.017 0.000 0.933 466 R CA 0.502 56.608 56.100 0.010 0.000 1.054 466 R CB 0.280 30.585 30.300 0.009 0.000 0.985 466 R HN 0.244 nan 8.270 nan 0.000 0.489 467 G N 2.186 110.997 108.800 0.018 0.000 2.249 467 G HA2 -0.355 3.594 3.960 -0.018 0.000 0.273 467 G HA3 -0.355 3.594 3.960 -0.018 0.000 0.273 467 G C 0.268 175.194 174.900 0.043 0.000 1.036 467 G CA 0.935 46.051 45.100 0.027 0.000 0.824 467 G HN 0.678 nan 8.290 nan 0.000 0.504 468 N N -0.890 117.836 118.700 0.044 0.000 2.322 468 N HA 0.510 5.239 4.740 -0.018 0.000 0.181 468 N C 1.253 176.820 175.510 0.096 0.000 1.088 468 N CA 0.670 53.762 53.050 0.070 0.000 0.885 468 N CB 0.317 38.831 38.487 0.044 0.000 1.013 468 N HN 0.860 nan 8.380 nan 0.000 0.472 469 A N 0.624 123.472 122.820 0.046 0.000 2.462 469 A HA 0.429 4.738 4.320 -0.018 0.000 0.243 469 A C -0.539 177.116 177.584 0.118 0.000 1.076 469 A CA -0.190 51.849 52.037 0.003 0.000 0.773 469 A CB -0.389 18.597 19.000 -0.023 0.000 1.010 469 A HN 0.501 nan 8.150 nan 0.000 0.493 470 F N 0.384 120.329 119.950 -0.007 0.000 2.619 470 F HA 0.800 5.317 4.527 -0.016 0.000 0.308 470 F C -0.301 175.493 175.800 -0.011 0.000 1.097 470 F CA -0.468 57.526 58.000 -0.009 0.000 0.953 470 F CB 0.972 39.966 39.000 -0.010 0.000 1.287 470 F HN 0.600 nan 8.300 nan 0.000 0.446 471 S N 1.210 117.042 115.700 0.219 0.000 3.132 471 S HA 0.900 5.359 4.470 -0.018 0.000 0.322 471 S C -1.369 173.320 174.600 0.149 0.000 1.124 471 S CA -0.691 57.567 58.200 0.097 0.000 0.906 471 S CB 1.501 64.716 63.200 0.025 0.000 1.349 471 S HN 1.131 nan 8.310 nan 0.000 0.686 472 R N 0.213 120.755 120.500 0.070 0.000 2.734 472 R HA 0.654 4.983 4.340 -0.018 0.000 0.271 472 R C -1.964 174.347 176.300 0.017 0.000 1.021 472 R CA -1.057 55.071 56.100 0.047 0.000 0.893 472 R CB 1.127 31.453 30.300 0.043 0.000 1.244 472 R HN 0.689 nan 8.270 nan 0.000 0.464 473 K N 1.134 121.535 120.400 0.001 0.000 2.477 473 K HA 0.590 4.899 4.320 -0.018 0.000 0.255 473 K C -1.139 175.453 176.600 -0.014 0.000 0.952 473 K CA -1.196 55.090 56.287 -0.003 0.000 0.826 473 K CB 2.759 35.259 32.500 -0.000 0.000 1.331 473 K HN 0.597 nan 8.250 nan 0.000 0.437 474 R N 1.103 121.600 120.500 -0.004 0.000 2.513 474 R HA 0.350 4.679 4.340 -0.018 0.000 0.301 474 R C -1.164 175.145 176.300 0.014 0.000 0.968 474 R CA -0.888 55.211 56.100 -0.002 0.000 0.872 474 R CB 2.507 32.809 30.300 0.004 0.000 1.177 474 R HN 0.653 nan 8.270 nan 0.000 0.444 475 T N 2.513 117.081 114.554 0.024 0.000 2.772 475 T HA 0.213 4.552 4.350 -0.018 0.000 0.288 475 T C 0.071 174.808 174.700 0.062 0.000 0.994 475 T CA -0.566 61.558 62.100 0.039 0.000 0.951 475 T CB 1.502 70.394 68.868 0.040 0.000 0.933 475 T HN 0.146 nan 8.240 nan 0.000 0.447 476 V N 5.394 125.342 119.914 0.057 0.000 2.521 476 V HA 0.186 4.295 4.120 -0.018 0.000 0.286 476 V C 0.406 176.543 176.094 0.072 0.000 1.034 476 V CA -0.436 61.904 62.300 0.068 0.000 1.045 476 V CB 0.309 32.165 31.823 0.055 0.000 0.974 476 V HN 0.715 nan 8.190 nan 0.000 0.480 477 L N 5.620 126.896 121.223 0.088 0.000 2.283 477 L HA 0.274 4.603 4.340 -0.018 0.000 0.287 477 L C 1.442 178.356 176.870 0.073 0.000 1.073 477 L CA -0.083 54.807 54.840 0.083 0.000 0.822 477 L CB 0.862 42.979 42.059 0.098 0.000 1.186 477 L HN 0.893 nan 8.230 nan 0.000 0.436 478 T N -0.701 113.889 114.554 0.061 0.000 3.037 478 T HA 0.196 4.535 4.350 -0.018 0.000 0.252 478 T C 0.923 175.656 174.700 0.056 0.000 1.073 478 T CA -0.045 62.089 62.100 0.056 0.000 1.091 478 T CB 0.375 69.270 68.868 0.046 0.000 0.935 478 T HN 0.324 nan 8.240 nan 0.000 0.488 479 R N 0.768 121.301 120.500 0.055 0.000 2.744 479 R HA 0.438 4.767 4.340 -0.018 0.000 0.279 479 R C 0.547 176.884 176.300 0.061 0.000 0.977 479 R CA -0.532 55.600 56.100 0.054 0.000 0.906 479 R CB 1.641 31.966 30.300 0.043 0.000 1.197 479 R HN 0.239 nan 8.270 nan 0.000 0.463 480 E N 0.470 120.712 120.200 0.071 0.000 2.130 480 E HA -0.204 4.135 4.350 -0.018 0.000 0.196 480 E C 1.404 178.046 176.600 0.070 0.000 0.998 480 E CA 2.084 58.536 56.400 0.087 0.000 0.806 480 E CB 0.164 29.924 29.700 0.099 0.000 0.738 480 E HN 0.635 nan 8.360 nan 0.000 0.459 481 S N 0.890 116.620 115.700 0.051 0.000 2.419 481 S HA -0.165 4.294 4.470 -0.018 0.000 0.233 481 S C 1.444 176.052 174.600 0.014 0.000 1.016 481 S CA 1.024 59.244 58.200 0.033 0.000 0.974 481 S CB -0.198 63.018 63.200 0.028 0.000 0.786 481 S HN 0.287 nan 8.310 nan 0.000 0.492 482 E N 0.862 121.075 120.200 0.022 0.000 2.476 482 E HA 0.406 4.745 4.350 -0.018 0.000 0.196 482 E C 0.909 177.516 176.600 0.011 0.000 1.029 482 E CA 0.301 56.709 56.400 0.014 0.000 0.896 482 E CB 0.315 30.031 29.700 0.028 0.000 1.012 482 E HN 0.628 nan 8.360 nan 0.000 0.475 483 A N 1.145 123.972 122.820 0.012 0.000 2.507 483 A HA 0.222 4.531 4.320 -0.018 0.000 0.270 483 A C 0.357 177.891 177.584 -0.084 0.000 1.318 483 A CA -0.215 51.827 52.037 0.008 0.000 0.924 483 A CB 0.232 19.274 19.000 0.071 0.000 1.061 483 A HN 0.041 nan 8.150 nan 0.000 0.516 484 V N 2.859 122.658 119.914 -0.191 0.000 2.304 484 V HA 0.369 4.478 4.120 -0.018 0.000 0.269 484 V C -0.346 175.529 176.094 -0.364 0.000 1.036 484 V CA -0.675 61.331 62.300 -0.490 0.000 0.840 484 V CB 0.327 31.773 31.823 -0.627 0.000 1.036 484 V HN 0.471 nan 8.190 nan 0.000 0.466 485 R N 3.158 123.452 120.500 -0.343 0.000 2.787 485 R HA 0.705 5.034 4.340 -0.018 0.000 0.271 485 R C -0.412 175.838 176.300 -0.083 0.000 0.993 485 R CA -0.705 55.322 56.100 -0.122 0.000 0.993 485 R CB 1.871 32.206 30.300 0.059 0.000 1.155 485 R HN 0.632 nan 8.270 nan 0.000 0.486 486 E N 0.458 120.710 120.200 0.086 0.000 2.235 486 E HA 0.570 4.909 4.350 -0.018 0.000 0.265 486 E C -0.586 176.209 176.600 0.324 0.000 0.940 486 E CA -0.981 55.497 56.400 0.130 0.000 0.819 486 E CB 2.097 31.837 29.700 0.067 0.000 1.206 486 E HN 0.628 nan 8.360 nan 0.000 0.409 487 A N 1.424 124.435 122.820 0.319 0.000 2.313 487 A HA 0.253 4.562 4.320 -0.018 0.000 0.261 487 A C -0.227 177.458 177.584 0.169 0.000 1.090 487 A CA -0.046 52.207 52.037 0.359 0.000 0.807 487 A CB 0.416 19.616 19.000 0.334 0.000 1.055 487 A HN 0.603 nan 8.150 nan 0.000 0.492 488 D N 0.059 120.509 120.400 0.084 0.000 2.584 488 D HA 0.403 5.032 4.640 -0.018 0.000 0.238 488 D C 0.688 176.986 176.300 -0.003 0.000 1.302 488 D CA 0.284 54.301 54.000 0.029 0.000 0.884 488 D CB 0.720 41.519 40.800 -0.001 0.000 1.456 488 D HN 0.474 nan 8.370 nan 0.000 0.528 489 A N 2.912 125.748 122.820 0.027 0.000 1.940 489 A HA -0.169 4.140 4.320 -0.018 0.000 0.219 489 A C 2.065 179.644 177.584 -0.009 0.000 1.176 489 A CA 1.281 53.329 52.037 0.018 0.000 0.631 489 A CB -0.213 18.813 19.000 0.043 0.000 0.814 489 A HN 0.498 nan 8.150 nan 0.000 0.446 490 R N -0.405 120.089 120.500 -0.009 0.000 2.127 490 R HA -0.124 4.205 4.340 -0.018 0.000 0.238 490 R C 1.604 177.879 176.300 -0.042 0.000 1.134 490 R CA 1.817 57.903 56.100 -0.023 0.000 0.975 490 R CB -0.272 30.019 30.300 -0.015 0.000 0.865 490 R HN 0.658 nan 8.270 nan 0.000 0.447 491 T N -3.749 110.777 114.554 -0.046 0.000 3.186 491 T HA 0.222 4.561 4.350 -0.018 0.000 0.257 491 T C 0.890 175.541 174.700 -0.082 0.000 1.029 491 T CA 0.213 62.275 62.100 -0.062 0.000 0.916 491 T CB 0.841 69.675 68.868 -0.056 0.000 1.041 491 T HN 0.320 nan 8.240 nan 0.000 0.562 492 G N 2.453 111.208 108.800 -0.076 0.000 2.321 492 G HA2 -0.358 3.591 3.960 -0.018 0.000 0.287 492 G HA3 -0.358 3.591 3.960 -0.018 0.000 0.287 492 G C 0.076 174.890 174.900 -0.144 0.000 1.018 492 G CA 0.300 45.352 45.100 -0.079 0.000 0.855 492 G HN 0.919 nan 8.290 nan 0.000 0.507 493 R N 0.583 120.959 120.500 -0.205 0.000 2.538 493 R HA 0.398 4.727 4.340 -0.018 0.000 0.282 493 R C 0.845 176.759 176.300 -0.642 0.000 1.009 493 R CA 1.074 56.929 56.100 -0.408 0.000 1.063 493 R CB 0.187 30.238 30.300 -0.416 0.000 0.945 493 R HN 0.475 nan 8.270 nan 0.000 0.414 494 T N 0.809 114.897 114.554 -0.776 0.000 2.838 494 T HA 0.530 4.869 4.350 -0.018 0.000 0.292 494 T C -1.030 173.126 174.700 -0.908 0.000 1.113 494 T CA -0.973 60.663 62.100 -0.772 0.000 1.008 494 T CB 1.221 69.809 68.868 -0.466 0.000 1.259 494 T HN 0.553 nan 8.240 nan 0.000 0.520 495 W N 0.647 121.887 121.300 -0.100 0.000 2.739 495 W HA 0.612 5.261 4.660 -0.018 0.000 0.331 495 W C -1.074 175.419 176.519 -0.044 0.000 1.049 495 W CA -1.206 56.108 57.345 -0.053 0.000 1.234 495 W CB 1.666 31.104 29.460 -0.038 0.000 1.404 495 W HN 0.586 nan 8.180 nan 0.000 0.477 496 I N 4.302 124.968 120.570 0.161 0.000 2.378 496 I HA 0.286 4.445 4.170 -0.018 0.000 0.291 496 I C -0.421 175.784 176.117 0.146 0.000 0.992 496 I CA -1.004 60.367 61.300 0.118 0.000 1.154 496 I CB 1.406 39.443 38.000 0.062 0.000 1.315 496 I HN 0.070 nan 8.210 nan 0.000 0.448 497 I N 6.164 126.826 120.570 0.154 0.000 2.312 497 I HA 0.284 4.443 4.170 -0.018 0.000 0.290 497 I C 0.375 176.579 176.117 0.145 0.000 1.008 497 I CA 0.317 61.701 61.300 0.140 0.000 1.226 497 I CB 1.261 39.336 38.000 0.125 0.000 1.371 497 I HN 0.589 nan 8.210 nan 0.000 0.468 498 S N 4.150 119.923 115.700 0.121 0.000 2.709 498 S HA 0.611 5.070 4.470 -0.018 0.000 0.302 498 S C -0.724 173.934 174.600 0.096 0.000 1.127 498 S CA -0.911 57.359 58.200 0.116 0.000 0.905 498 S CB 1.990 65.244 63.200 0.090 0.000 1.151 498 S HN 0.509 nan 8.310 nan 0.000 0.510 499 N N 1.664 120.412 118.700 0.080 0.000 2.524 499 N HA 0.369 5.098 4.740 -0.018 0.000 0.261 499 N C -2.088 173.444 175.510 0.036 0.000 0.998 499 N CA -2.259 50.825 53.050 0.056 0.000 0.915 499 N CB 1.758 40.271 38.487 0.043 0.000 1.187 499 N HN 0.386 nan 8.380 nan 0.000 0.507 500 P HA -0.061 nan 4.420 nan 0.000 0.228 500 P C 0.066 177.376 177.300 0.015 0.000 1.151 500 P CA 1.145 64.262 63.100 0.027 0.000 0.770 500 P CB 0.543 32.263 31.700 0.034 0.000 0.786 501 E N -0.871 119.337 120.200 0.013 0.000 2.481 501 E HA 0.122 4.461 4.350 -0.018 0.000 0.198 501 E C 0.337 176.929 176.600 -0.013 0.000 1.027 501 E CA -0.032 56.370 56.400 0.004 0.000 0.900 501 E CB 0.393 30.099 29.700 0.011 0.000 0.993 501 E HN 0.017 nan 8.360 nan 0.000 0.482 502 S N 1.235 116.921 115.700 -0.023 0.000 2.640 502 S HA 0.316 4.775 4.470 -0.018 0.000 0.320 502 S C -0.906 173.653 174.600 -0.068 0.000 1.097 502 S CA -0.714 57.453 58.200 -0.055 0.000 1.092 502 S CB 0.486 63.640 63.200 -0.077 0.000 0.988 502 S HN -0.040 nan 8.310 nan 0.000 0.470 503 K N 2.930 123.288 120.400 -0.070 0.000 2.208 503 K HA 0.430 4.739 4.320 -0.018 0.000 0.247 503 K C -0.164 176.380 176.600 -0.092 0.000 0.953 503 K CA -1.051 55.195 56.287 -0.068 0.000 0.837 503 K CB 1.032 33.508 32.500 -0.041 0.000 1.131 503 K HN 0.752 nan 8.250 nan 0.000 0.431 504 N N 0.343 118.991 118.700 -0.088 0.000 2.364 504 N HA 0.028 4.757 4.740 -0.018 0.000 0.264 504 N C 0.678 176.156 175.510 -0.054 0.000 1.263 504 N CA -0.527 52.469 53.050 -0.090 0.000 0.959 504 N CB 0.305 38.745 38.487 -0.079 0.000 1.204 504 N HN 0.578 nan 8.380 nan 0.000 0.550 505 R N -0.668 119.807 120.500 -0.041 0.000 2.293 505 R HA 0.005 4.334 4.340 -0.018 0.000 0.219 505 R C 0.379 176.667 176.300 -0.020 0.000 1.091 505 R CA 1.107 57.192 56.100 -0.026 0.000 1.004 505 R CB -0.699 29.591 30.300 -0.016 0.000 0.865 505 R HN 0.574 nan 8.270 nan 0.000 0.469 506 L N 0.971 122.182 121.223 -0.020 0.000 2.741 506 L HA 0.178 4.507 4.340 -0.018 0.000 0.237 506 L C 0.187 177.048 176.870 -0.016 0.000 1.178 506 L CA -0.096 54.735 54.840 -0.015 0.000 0.973 506 L CB -0.551 41.501 42.059 -0.012 0.000 1.255 506 L HN 0.435 nan 8.230 nan 0.000 0.498 507 N N 1.128 119.815 118.700 -0.021 0.000 2.747 507 N HA -0.159 4.569 4.740 -0.018 0.000 0.249 507 N C -0.320 175.180 175.510 -0.017 0.000 1.107 507 N CA 0.185 53.223 53.050 -0.019 0.000 0.707 507 N CB -0.012 38.467 38.487 -0.014 0.000 1.054 507 N HN 0.338 nan 8.380 nan 0.000 0.555 508 E N 0.320 120.508 120.200 -0.020 0.000 2.183 508 E HA 0.372 4.711 4.350 -0.018 0.000 0.271 508 E C -2.497 174.091 176.600 -0.019 0.000 0.919 508 E CA -1.718 54.674 56.400 -0.014 0.000 0.781 508 E CB 1.586 31.280 29.700 -0.010 0.000 1.140 508 E HN 0.128 nan 8.360 nan 0.000 0.402 509 P HA -0.075 nan 4.420 nan 0.000 0.262 509 P C -0.062 177.239 177.300 0.000 0.000 1.182 509 P CA -0.019 63.079 63.100 -0.003 0.000 0.761 509 P CB 0.359 32.069 31.700 0.017 0.000 0.795 510 V N 1.749 121.650 119.914 -0.021 0.000 2.811 510 V HA 0.784 4.893 4.120 -0.018 0.000 0.302 510 V C 0.548 176.730 176.094 0.146 0.000 1.063 510 V CA 0.204 62.501 62.300 -0.004 0.000 1.088 510 V CB 0.464 32.169 31.823 -0.198 0.000 0.982 510 V HN 0.739 nan 8.190 nan 0.000 0.485 511 G N 2.110 111.054 108.800 0.239 0.000 2.600 511 G HA2 0.592 4.541 3.960 -0.018 0.000 0.293 511 G HA3 0.592 4.541 3.960 -0.018 0.000 0.293 511 G C -2.348 172.693 174.900 0.234 0.000 1.408 511 G CA -0.737 44.515 45.100 0.254 0.000 0.782 511 G HN 0.730 nan 8.290 nan 0.000 0.482 512 Y N -0.037 120.290 120.300 0.045 0.000 2.442 512 Y HA 0.610 5.149 4.550 -0.018 0.000 0.344 512 Y C 0.148 176.075 175.900 0.044 0.000 0.976 512 Y CA -0.814 57.295 58.100 0.015 0.000 1.040 512 Y CB 2.731 41.170 38.460 -0.036 0.000 1.228 512 Y HN 0.508 nan 8.280 nan 0.000 0.451 513 K N 4.185 124.639 120.400 0.091 0.000 2.265 513 K HA 0.507 4.816 4.320 -0.018 0.000 0.267 513 K C -1.583 175.046 176.600 0.049 0.000 0.994 513 K CA -0.829 55.471 56.287 0.021 0.000 0.860 513 K CB 0.870 33.312 32.500 -0.096 0.000 1.099 513 K HN 0.628 nan 8.250 nan 0.000 0.448 514 L N 5.707 126.964 121.223 0.057 0.000 2.281 514 L HA 0.246 4.575 4.340 -0.018 0.000 0.285 514 L C -1.058 175.820 176.870 0.013 0.000 1.074 514 L CA 0.131 55.044 54.840 0.121 0.000 0.817 514 L CB 0.444 42.586 42.059 0.139 0.000 1.168 514 L HN 0.646 nan 8.230 nan 0.000 0.434 515 H N 5.153 124.332 119.070 0.181 0.000 2.504 515 H HA 0.594 5.139 4.556 -0.019 0.000 0.322 515 H C -0.346 175.118 175.328 0.228 0.000 1.055 515 H CA -0.358 55.790 56.048 0.167 0.000 1.231 515 H CB 1.565 31.413 29.762 0.144 0.000 1.417 515 H HN 0.846 nan 8.280 nan 0.000 0.472 516 A N 2.619 125.644 122.820 0.341 0.000 2.282 516 A HA 0.228 4.537 4.320 -0.018 0.000 0.319 516 A C 0.525 178.402 177.584 0.489 0.000 1.121 516 A CA -0.574 51.705 52.037 0.403 0.000 0.836 516 A CB 0.577 19.861 19.000 0.473 0.000 1.146 516 A HN 0.924 nan 8.150 nan 0.000 0.494 517 H N 0.714 119.976 119.070 0.320 0.000 2.548 517 H HA -0.003 4.542 4.556 -0.019 0.000 0.268 517 H C -0.135 175.316 175.328 0.204 0.000 0.975 517 H CA 0.268 56.452 56.048 0.226 0.000 1.195 517 H CB 0.183 30.073 29.762 0.213 0.000 1.397 517 H HN 0.750 nan 8.280 nan 0.000 0.572 518 N N 2.014 120.937 118.700 0.373 0.000 2.740 518 N HA -0.162 4.567 4.740 -0.018 0.000 0.248 518 N C -0.649 174.990 175.510 0.215 0.000 1.062 518 N CA 0.555 53.769 53.050 0.273 0.000 0.704 518 N CB -0.886 37.721 38.487 0.200 0.000 0.968 518 N HN 0.516 nan 8.380 nan 0.000 0.547 519 Q N -0.169 119.772 119.800 0.235 0.000 2.317 519 Q HA 0.410 4.739 4.340 -0.018 0.000 0.229 519 Q C -1.856 174.217 176.000 0.122 0.000 0.984 519 Q CA -1.203 54.701 55.803 0.168 0.000 0.911 519 Q CB 0.283 29.130 28.738 0.181 0.000 1.217 519 Q HN 0.113 nan 8.270 nan 0.000 0.501 520 P HA -0.015 nan 4.420 nan 0.000 0.266 520 P C -0.220 177.091 177.300 0.018 0.000 1.195 520 P CA 0.310 63.437 63.100 0.045 0.000 0.768 520 P CB 0.460 32.176 31.700 0.026 0.000 0.838 521 T N 0.246 114.806 114.554 0.010 0.000 2.891 521 T HA 0.320 4.659 4.350 -0.018 0.000 0.294 521 T C 0.283 174.939 174.700 -0.073 0.000 1.065 521 T CA -0.929 61.154 62.100 -0.028 0.000 0.936 521 T CB 0.049 68.915 68.868 -0.004 0.000 1.415 521 T HN 0.178 nan 8.240 nan 0.000 0.572 522 L N 1.081 122.234 121.223 -0.116 0.000 2.667 522 L HA 0.112 4.441 4.340 -0.018 0.000 0.278 522 L C 0.874 177.698 176.870 -0.075 0.000 1.217 522 L CA 0.297 55.057 54.840 -0.133 0.000 0.935 522 L CB -0.472 41.483 42.059 -0.173 0.000 1.193 522 L HN 0.634 nan 8.230 nan 0.000 0.493 523 L N 5.008 126.192 121.223 -0.066 0.000 2.375 523 L HA 0.191 4.520 4.340 -0.018 0.000 0.215 523 L C 1.465 178.332 176.870 -0.005 0.000 1.108 523 L CA 0.226 55.053 54.840 -0.023 0.000 0.830 523 L CB -0.542 41.512 42.059 -0.008 0.000 0.959 523 L HN 0.848 nan 8.230 nan 0.000 0.457 524 A N 0.701 123.512 122.820 -0.015 0.000 2.547 524 A HA -0.118 4.191 4.320 -0.018 0.000 0.233 524 A C 0.303 177.894 177.584 0.012 0.000 1.067 524 A CA -0.022 52.020 52.037 0.008 0.000 0.763 524 A CB -0.058 18.946 19.000 0.006 0.000 1.007 524 A HN 0.283 nan 8.150 nan 0.000 0.506 525 D N 1.995 122.410 120.400 0.026 0.000 2.455 525 D HA 0.046 4.675 4.640 -0.018 0.000 0.241 525 D C -1.211 175.098 176.300 0.015 0.000 1.138 525 D CA -1.030 52.984 54.000 0.023 0.000 0.877 525 D CB 0.899 41.718 40.800 0.031 0.000 1.187 525 D HN 0.267 nan 8.370 nan 0.000 0.451 526 P HA -0.101 nan 4.420 nan 0.000 0.222 526 P C 1.000 178.301 177.300 0.002 0.000 1.142 526 P CA 0.848 63.950 63.100 0.003 0.000 0.788 526 P CB 0.134 31.835 31.700 0.002 0.000 0.767 527 G N -0.217 108.588 108.800 0.008 0.000 3.088 527 G HA2 0.024 3.973 3.960 -0.018 0.000 0.217 527 G HA3 0.024 3.973 3.960 -0.018 0.000 0.217 527 G C 0.620 175.526 174.900 0.010 0.000 1.159 527 G CA 0.140 45.242 45.100 0.005 0.000 0.760 527 G HN 0.434 nan 8.290 nan 0.000 0.550 528 S N -0.265 115.448 115.700 0.022 0.000 2.584 528 S HA 0.236 4.695 4.470 -0.018 0.000 0.270 528 S C 1.599 176.207 174.600 0.013 0.000 1.346 528 S CA 0.471 58.697 58.200 0.044 0.000 1.018 528 S CB 1.624 64.865 63.200 0.068 0.000 0.899 528 S HN 0.089 nan 8.310 nan 0.000 0.542 529 S N 0.717 116.422 115.700 0.009 0.000 2.368 529 S HA -0.144 4.315 4.470 -0.018 0.000 0.225 529 S C 1.649 176.215 174.600 -0.057 0.000 1.030 529 S CA 1.181 59.311 58.200 -0.116 0.000 0.999 529 S CB -0.784 62.185 63.200 -0.386 0.000 0.844 529 S HN 0.710 nan 8.310 nan 0.000 0.459 530 I N 1.965 122.560 120.570 0.043 0.000 2.315 530 I HA 0.050 4.209 4.170 -0.018 0.000 0.248 530 I C 2.330 178.470 176.117 0.039 0.000 1.117 530 I CA 1.282 62.635 61.300 0.088 0.000 1.404 530 I CB -0.941 37.127 38.000 0.114 0.000 1.071 530 I HN 0.313 nan 8.210 nan 0.000 0.419 531 A N 0.361 123.185 122.820 0.008 0.000 1.972 531 A HA -0.198 4.111 4.320 -0.018 0.000 0.219 531 A C 2.437 180.010 177.584 -0.019 0.000 1.169 531 A CA 1.698 53.724 52.037 -0.019 0.000 0.635 531 A CB -0.559 18.434 19.000 -0.012 0.000 0.810 531 A HN 0.469 nan 8.150 nan 0.000 0.446 532 R N -0.910 119.576 120.500 -0.023 0.000 2.062 532 R HA 0.038 4.367 4.340 -0.018 0.000 0.226 532 R C 2.389 178.663 176.300 -0.043 0.000 1.125 532 R CA 1.221 57.294 56.100 -0.045 0.000 0.966 532 R CB -0.251 30.003 30.300 -0.077 0.000 0.861 532 R HN 0.430 nan 8.270 nan 0.000 0.433 533 R N 0.253 120.742 120.500 -0.018 0.000 2.148 533 R HA 0.032 4.361 4.340 -0.018 0.000 0.227 533 R C 0.925 177.353 176.300 0.212 0.000 1.103 533 R CA 1.177 57.285 56.100 0.013 0.000 0.983 533 R CB 0.142 30.448 30.300 0.011 0.000 0.874 533 R HN 0.102 nan 8.270 nan 0.000 0.451 534 A N 0.143 123.092 122.820 0.214 0.000 2.911 534 A HA 0.494 4.803 4.320 -0.018 0.000 0.304 534 A C 1.261 178.742 177.584 -0.171 0.000 1.144 534 A CA 0.017 52.138 52.037 0.141 0.000 0.988 534 A CB 0.228 19.199 19.000 -0.048 0.000 1.141 534 A HN 0.242 nan 8.150 nan 0.000 0.552 535 A N 0.526 123.330 122.820 -0.026 0.000 1.917 535 A HA -0.109 4.200 4.320 -0.018 0.000 0.219 535 A C 1.841 179.419 177.584 -0.010 0.000 1.182 535 A CA 1.954 53.979 52.037 -0.020 0.000 0.633 535 A CB -1.012 17.991 19.000 0.005 0.000 0.819 535 A HN 1.391 nan 8.150 nan 0.000 0.448 536 F N 0.023 119.873 119.950 -0.167 0.000 2.154 536 F HA -0.050 4.465 4.527 -0.019 0.000 0.301 536 F C 2.062 177.948 175.800 0.144 0.000 1.087 536 F CA 0.889 58.720 58.000 -0.281 0.000 1.274 536 F CB -1.046 37.670 39.000 -0.473 0.000 1.009 536 F HN 0.162 nan 8.300 nan 0.000 0.485 537 A N 0.410 122.512 122.820 -1.196 0.000 2.209 537 A HA -0.027 4.282 4.320 -0.018 0.000 0.212 537 A C 2.090 179.525 177.584 -0.249 0.000 1.158 537 A CA 1.394 52.950 52.037 -0.802 0.000 0.742 537 A CB -1.514 16.862 19.000 -1.040 0.000 0.790 537 A HN 0.603 nan 8.150 nan 0.000 0.472 538 T N -3.687 110.820 114.554 -0.078 0.000 3.100 538 T HA 0.203 4.542 4.350 -0.018 0.000 0.253 538 T C 0.591 175.311 174.700 0.034 0.000 1.118 538 T CA 0.184 62.280 62.100 -0.006 0.000 1.058 538 T CB 0.129 69.008 68.868 0.017 0.000 0.953 538 T HN 0.102 nan 8.240 nan 0.000 0.515 539 K N 1.043 121.518 120.400 0.125 0.000 2.426 539 K HA 0.383 4.692 4.320 -0.018 0.000 0.251 539 K C -0.495 176.161 176.600 0.094 0.000 0.941 539 K CA -0.464 55.808 56.287 -0.025 0.000 0.808 539 K CB 2.214 34.434 32.500 -0.467 0.000 1.265 539 K HN -0.044 nan 8.250 nan 0.000 0.432 540 D N 0.432 120.847 120.400 0.025 0.000 2.149 540 D HA -0.038 4.591 4.640 -0.018 0.000 0.201 540 D C 0.068 176.422 176.300 0.091 0.000 0.972 540 D CA 0.879 54.947 54.000 0.114 0.000 0.835 540 D CB 0.299 41.209 40.800 0.183 0.000 0.966 540 D HN 0.136 nan 8.370 nan 0.000 0.476 541 L N -0.425 120.685 121.223 -0.188 0.000 2.455 541 L HA 0.470 4.799 4.340 -0.018 0.000 0.264 541 L C -1.992 174.743 176.870 -0.225 0.000 0.968 541 L CA -0.644 54.054 54.840 -0.236 0.000 0.827 541 L CB 1.546 43.036 42.059 -0.947 0.000 1.317 541 L HN -0.121 nan 8.230 nan 0.000 0.407 542 W N 4.018 125.304 121.300 -0.023 0.000 2.936 542 W HA 0.769 5.418 4.660 -0.018 0.000 0.338 542 W C -1.246 175.370 176.519 0.161 0.000 1.121 542 W CA -0.845 56.521 57.345 0.035 0.000 1.209 542 W CB 1.997 31.454 29.460 -0.005 0.000 1.420 542 W HN 0.163 nan 8.180 nan 0.000 0.516 543 V N 2.482 122.608 119.914 0.355 0.000 2.525 543 V HA 0.708 4.817 4.120 -0.018 0.000 0.299 543 V C -0.090 176.193 176.094 0.315 0.000 1.034 543 V CA -0.811 61.683 62.300 0.323 0.000 0.863 543 V CB 1.374 33.303 31.823 0.176 0.000 0.999 543 V HN 0.601 nan 8.190 nan 0.000 0.423 544 T N 1.573 116.362 114.554 0.392 0.000 2.926 544 T HA 0.770 5.109 4.350 -0.018 0.000 0.289 544 T C -0.461 174.372 174.700 0.221 0.000 1.054 544 T CA -0.963 61.315 62.100 0.296 0.000 1.015 544 T CB 2.170 71.251 68.868 0.355 0.000 1.167 544 T HN 0.521 nan 8.240 nan 0.000 0.526 545 R N 0.713 121.296 120.500 0.138 0.000 2.308 545 R HA 0.357 4.686 4.340 -0.018 0.000 0.305 545 R C -0.890 175.450 176.300 0.067 0.000 1.053 545 R CA -0.943 55.218 56.100 0.102 0.000 0.957 545 R CB -0.479 29.858 30.300 0.062 0.000 1.022 545 R HN 0.774 nan 8.270 nan 0.000 0.461 546 Y N 3.183 123.478 120.300 -0.008 0.000 2.712 546 Y HA 0.269 4.808 4.550 -0.018 0.000 0.333 546 Y C -0.733 175.113 175.900 -0.090 0.000 1.225 546 Y CA 1.052 59.116 58.100 -0.061 0.000 1.499 546 Y CB 0.416 38.805 38.460 -0.117 0.000 1.288 546 Y HN 0.751 nan 8.280 nan 0.000 0.575 547 A N 5.446 127.548 122.820 -1.196 0.000 2.517 547 A HA 0.285 4.594 4.320 -0.018 0.000 0.297 547 A C 0.191 177.152 177.584 -1.037 0.000 1.050 547 A CA -0.583 50.935 52.037 -0.865 0.000 0.694 547 A CB 0.902 19.620 19.000 -0.471 0.000 1.277 547 A HN 0.785 nan 8.150 nan 0.000 0.400 548 D N 1.167 121.192 120.400 -0.625 0.000 2.158 548 D HA -0.174 4.455 4.640 -0.018 0.000 0.197 548 D C 0.908 177.043 176.300 -0.275 0.000 0.995 548 D CA 2.122 55.928 54.000 -0.325 0.000 0.846 548 D CB 0.090 40.827 40.800 -0.105 0.000 0.941 548 D HN 0.783 nan 8.370 nan 0.000 0.456 549 D N 0.283 120.520 120.400 -0.271 0.000 2.328 549 D HA -0.059 4.570 4.640 -0.018 0.000 0.221 549 D C -0.091 176.036 176.300 -0.288 0.000 1.072 549 D CA 0.084 53.957 54.000 -0.212 0.000 0.850 549 D CB -0.422 40.300 40.800 -0.129 0.000 0.922 549 D HN 0.185 nan 8.370 nan 0.000 0.516 550 E N 0.804 120.738 120.200 -0.443 0.000 2.136 550 E HA 0.297 4.636 4.350 -0.018 0.000 0.246 550 E C 0.490 176.938 176.600 -0.254 0.000 1.017 550 E CA -0.285 55.752 56.400 -0.605 0.000 0.883 550 E CB 0.994 30.054 29.700 -1.067 0.000 1.199 550 E HN 0.156 nan 8.360 nan 0.000 0.447 551 R N 1.024 121.354 120.500 -0.282 0.000 2.123 551 R HA 0.109 4.438 4.340 -0.018 0.000 0.209 551 R C 0.012 176.012 176.300 -0.499 0.000 1.078 551 R CA 0.668 56.430 56.100 -0.563 0.000 1.028 551 R CB 0.332 29.944 30.300 -1.147 0.000 0.939 551 R HN 0.270 nan 8.270 nan 0.000 0.463 552 Y N 0.372 120.811 120.300 0.232 0.000 2.485 552 Y HA 0.307 4.846 4.550 -0.018 0.000 0.345 552 Y C -1.769 174.163 175.900 0.054 0.000 0.998 552 Y CA -3.278 54.924 58.100 0.170 0.000 1.059 552 Y CB 1.075 39.520 38.460 -0.027 0.000 1.234 552 Y HN -0.167 nan 8.280 nan 0.000 0.461 553 P HA -0.090 nan 4.420 nan 0.000 0.230 553 P C 0.594 177.655 177.300 -0.398 0.000 1.158 553 P CA 1.421 64.223 63.100 -0.495 0.000 0.769 553 P CB 0.143 31.455 31.700 -0.646 0.000 0.807 554 T N -4.781 109.655 114.554 -0.197 0.000 3.129 554 T HA 0.510 4.849 4.350 -0.018 0.000 0.267 554 T C 0.889 175.544 174.700 -0.076 0.000 1.018 554 T CA 0.073 62.104 62.100 -0.114 0.000 0.903 554 T CB -0.088 68.746 68.868 -0.056 0.000 1.067 554 T HN 0.326 nan 8.240 nan 0.000 0.549 555 G N 1.631 110.418 108.800 -0.021 0.000 2.796 555 G HA2 -0.184 3.765 3.960 -0.018 0.000 0.571 555 G HA3 -0.184 3.765 3.960 -0.018 0.000 0.571 555 G C -0.135 174.778 174.900 0.022 0.000 1.370 555 G CA -0.116 45.002 45.100 0.030 0.000 0.856 555 G HN 0.198 nan 8.290 nan 0.000 0.538 556 D N -0.544 119.764 120.400 -0.154 0.000 2.183 556 D HA 0.075 4.704 4.640 -0.018 0.000 0.203 556 D C 0.872 176.588 176.300 -0.973 0.000 0.969 556 D CA 1.457 55.136 54.000 -0.534 0.000 0.842 556 D CB -0.022 40.218 40.800 -0.934 0.000 0.957 556 D HN 0.240 nan 8.370 nan 0.000 0.484 557 F N 0.201 120.006 119.950 -0.242 0.000 2.434 557 F HA 0.226 4.742 4.527 -0.018 0.000 0.367 557 F C 1.067 176.704 175.800 -0.273 0.000 1.093 557 F CA -0.666 57.144 58.000 -0.316 0.000 1.085 557 F CB 1.429 40.165 39.000 -0.439 0.000 1.322 557 F HN -0.364 nan 8.300 nan 0.000 0.452 558 V N 0.223 120.062 119.914 -0.124 0.000 2.446 558 V HA -0.121 3.988 4.120 -0.018 0.000 0.244 558 V C 1.140 177.121 176.094 -0.189 0.000 1.039 558 V CA 0.503 62.679 62.300 -0.208 0.000 1.045 558 V CB -0.478 31.132 31.823 -0.355 0.000 0.681 558 V HN 0.670 nan 8.190 nan 0.000 0.459 559 N N 1.504 120.129 118.700 -0.126 0.000 2.365 559 N HA -0.080 4.649 4.740 -0.018 0.000 0.265 559 N C 0.462 175.929 175.510 -0.070 0.000 1.288 559 N CA 0.742 53.729 53.050 -0.106 0.000 0.869 559 N CB -0.281 38.147 38.487 -0.098 0.000 1.071 559 N HN 0.436 nan 8.380 nan 0.000 0.480 560 Q N 0.353 120.111 119.800 -0.071 0.000 2.457 560 Q HA -0.312 4.017 4.340 -0.018 0.000 0.283 560 Q C -0.894 175.098 176.000 -0.014 0.000 1.234 560 Q CA 0.909 56.680 55.803 -0.054 0.000 0.877 560 Q CB -1.605 27.100 28.738 -0.055 0.000 1.250 560 Q HN 0.701 nan 8.270 nan 0.000 0.481 561 H N -0.263 118.709 119.070 -0.163 0.000 2.489 561 H HA 0.413 4.958 4.556 -0.018 0.000 0.343 561 H C 0.366 175.593 175.328 -0.168 0.000 1.086 561 H CA 0.030 55.987 56.048 -0.151 0.000 1.198 561 H CB 1.114 30.796 29.762 -0.134 0.000 1.490 561 H HN 0.309 nan 8.280 nan 0.000 0.504 562 S N 3.027 118.388 115.700 -0.565 0.000 2.633 562 S HA 0.283 4.742 4.470 -0.018 0.000 0.257 562 S C 0.920 175.131 174.600 -0.647 0.000 1.265 562 S CA -0.284 57.619 58.200 -0.494 0.000 0.980 562 S CB 0.735 63.729 63.200 -0.342 0.000 1.017 562 S HN 0.712 nan 8.310 nan 0.000 0.577 563 G N -1.736 106.839 108.800 -0.375 0.000 2.634 563 G HA2 0.491 4.440 3.960 -0.018 0.000 0.255 563 G HA3 0.491 4.440 3.960 -0.018 0.000 0.255 563 G C 0.833 175.561 174.900 -0.287 0.000 1.205 563 G CA -0.321 44.607 45.100 -0.286 0.000 0.884 563 G HN 1.892 nan 8.290 nan 0.000 0.549 564 G N -1.778 106.910 108.800 -0.187 0.000 2.705 564 G HA2 0.353 4.302 3.960 -0.018 0.000 0.193 564 G HA3 0.353 4.302 3.960 -0.018 0.000 0.193 564 G C 0.368 175.226 174.900 -0.070 0.000 1.015 564 G CA 0.673 45.706 45.100 -0.112 0.000 0.743 564 G HN 1.778 nan 8.290 nan 0.000 0.476 565 A N -0.383 122.401 122.820 -0.059 0.000 2.347 565 A HA 1.093 5.402 4.320 -0.018 0.000 0.301 565 A C 1.224 178.619 177.584 -0.315 0.000 1.163 565 A CA 0.895 52.879 52.037 -0.088 0.000 0.860 565 A CB 0.857 19.910 19.000 0.087 0.000 1.367 565 A HN 2.302 nan 8.150 nan 0.000 0.461 566 G N -1.701 106.753 108.800 -0.577 0.000 2.681 566 G HA2 -0.099 3.850 3.960 -0.018 0.000 0.220 566 G HA3 -0.099 3.850 3.960 -0.018 0.000 0.220 566 G C 0.694 174.650 174.900 -1.574 0.000 1.353 566 G CA -0.026 44.483 45.100 -0.985 0.000 0.872 566 G HN 1.247 nan 8.290 nan 0.000 0.557 567 L N 0.956 121.418 121.223 -1.268 0.000 2.034 567 L HA -0.156 4.173 4.340 -0.018 0.000 0.217 567 L C 0.358 176.863 176.870 -0.608 0.000 1.077 567 L CA 2.912 57.101 54.840 -1.085 0.000 0.769 567 L CB -1.322 39.853 42.059 -1.473 0.000 0.890 567 L HN 0.471 nan 8.230 nan 0.000 0.435 568 P HA -0.168 nan 4.420 nan 0.000 0.216 568 P C 1.811 179.040 177.300 -0.118 0.000 1.150 568 P CA 1.918 64.951 63.100 -0.112 0.000 0.837 568 P CB -0.031 31.621 31.700 -0.079 0.000 0.786 569 S N -2.488 113.068 115.700 -0.239 0.000 2.414 569 S HA -0.154 4.305 4.470 -0.018 0.000 0.227 569 S C 1.856 176.454 174.600 -0.004 0.000 1.022 569 S CA 0.752 58.878 58.200 -0.123 0.000 0.958 569 S CB -1.562 61.560 63.200 -0.131 0.000 0.797 569 S HN 0.001 nan 8.310 nan 0.000 0.493 570 Y N 2.316 122.550 120.300 -0.110 0.000 2.114 570 Y HA 0.064 4.603 4.550 -0.018 0.000 0.284 570 Y C 2.570 178.444 175.900 -0.043 0.000 1.143 570 Y CA -0.374 57.664 58.100 -0.102 0.000 1.135 570 Y CB -1.164 37.186 38.460 -0.184 0.000 0.980 570 Y HN 0.185 nan 8.280 nan 0.000 0.499 571 I N 0.285 120.940 120.570 0.141 0.000 2.248 571 I HA -0.323 3.836 4.170 -0.018 0.000 0.248 571 I C 2.507 178.679 176.117 0.092 0.000 1.107 571 I CA 1.543 62.923 61.300 0.133 0.000 1.373 571 I CB -1.739 36.373 38.000 0.186 0.000 1.055 571 I HN 0.165 nan 8.210 nan 0.000 0.418 572 A N 0.256 123.118 122.820 0.069 0.000 2.024 572 A HA -0.244 4.065 4.320 -0.018 0.000 0.220 572 A C 2.162 179.774 177.584 0.046 0.000 1.164 572 A CA 1.398 53.463 52.037 0.048 0.000 0.643 572 A CB -0.656 18.363 19.000 0.031 0.000 0.806 572 A HN 0.577 nan 8.150 nan 0.000 0.451 573 Q N -1.357 118.475 119.800 0.055 0.000 2.364 573 Q HA -0.120 4.209 4.340 -0.018 0.000 0.209 573 Q C 0.185 176.209 176.000 0.041 0.000 0.977 573 Q CA 0.565 56.394 55.803 0.043 0.000 0.885 573 Q CB -0.173 28.589 28.738 0.041 0.000 0.941 573 Q HN 0.630 nan 8.270 nan 0.000 0.464 574 D N 0.726 121.156 120.400 0.050 0.000 2.686 574 D HA -0.175 4.454 4.640 -0.018 0.000 0.235 574 D C -0.898 175.429 176.300 0.045 0.000 1.160 574 D CA 0.585 54.614 54.000 0.048 0.000 0.645 574 D CB -0.525 40.297 40.800 0.038 0.000 1.039 574 D HN 0.223 nan 8.370 nan 0.000 0.423 575 R N 0.395 120.925 120.500 0.049 0.000 2.637 575 R HA 0.313 4.641 4.340 -0.018 0.000 0.269 575 R C 0.275 176.606 176.300 0.052 0.000 1.089 575 R CA -0.521 55.605 56.100 0.045 0.000 1.177 575 R CB 0.384 30.709 30.300 0.040 0.000 1.091 575 R HN 0.175 nan 8.270 nan 0.000 0.540 576 D N 1.814 122.243 120.400 0.047 0.000 2.383 576 D HA 0.033 4.662 4.640 -0.018 0.000 0.252 576 D C 0.437 176.774 176.300 0.062 0.000 1.166 576 D CA -0.039 53.991 54.000 0.050 0.000 0.879 576 D CB 0.572 41.397 40.800 0.043 0.000 1.164 576 D HN 0.553 nan 8.370 nan 0.000 0.462 577 I N -0.165 120.446 120.570 0.069 0.000 3.966 577 I HA 0.350 4.509 4.170 -0.018 0.000 0.324 577 I C -0.008 176.157 176.117 0.079 0.000 1.517 577 I CA -0.541 60.809 61.300 0.083 0.000 1.117 577 I CB 0.487 38.545 38.000 0.098 0.000 1.190 577 I HN 0.067 nan 8.210 nan 0.000 0.466 578 D N 2.722 123.162 120.400 0.067 0.000 2.479 578 D HA 0.414 5.043 4.640 -0.018 0.000 0.218 578 D C 1.067 177.403 176.300 0.060 0.000 1.131 578 D CA 0.459 54.497 54.000 0.063 0.000 0.916 578 D CB 0.529 41.361 40.800 0.054 0.000 1.022 578 D HN 0.535 nan 8.370 nan 0.000 0.515 579 G N 3.211 112.051 108.800 0.067 0.000 2.303 579 G HA2 -0.176 3.772 3.960 -0.018 0.000 0.260 579 G HA3 -0.176 3.772 3.960 -0.018 0.000 0.260 579 G C -0.149 174.794 174.900 0.071 0.000 1.106 579 G CA -0.286 44.854 45.100 0.065 0.000 0.900 579 G HN 0.485 nan 8.290 nan 0.000 0.495 580 Q N -0.774 119.077 119.800 0.084 0.000 2.687 580 Q HA 0.379 4.708 4.340 -0.018 0.000 0.305 580 Q C -1.041 175.026 176.000 0.112 0.000 1.006 580 Q CA -0.935 54.920 55.803 0.087 0.000 0.763 580 Q CB 1.049 29.833 28.738 0.076 0.000 1.506 580 Q HN 0.221 nan 8.270 nan 0.000 0.459 581 D N 1.971 122.430 120.400 0.099 0.000 2.348 581 D HA 0.276 4.905 4.640 -0.018 0.000 0.259 581 D C -0.357 176.023 176.300 0.134 0.000 1.296 581 D CA 0.085 54.143 54.000 0.097 0.000 0.931 581 D CB -0.360 40.397 40.800 -0.071 0.000 1.067 581 D HN 0.429 nan 8.370 nan 0.000 0.503 582 I N 0.005 120.665 120.570 0.151 0.000 2.910 582 I HA 0.682 4.841 4.170 -0.018 0.000 0.310 582 I C -0.931 175.264 176.117 0.130 0.000 1.043 582 I CA -1.078 60.312 61.300 0.150 0.000 1.053 582 I CB 2.193 40.274 38.000 0.135 0.000 1.242 582 I HN -0.104 nan 8.210 nan 0.000 0.452 583 V N 3.589 123.580 119.914 0.128 0.000 2.588 583 V HA 0.421 4.530 4.120 -0.018 0.000 0.304 583 V C -0.171 175.930 176.094 0.012 0.000 1.042 583 V CA -0.669 61.626 62.300 -0.010 0.000 0.877 583 V CB 1.797 33.561 31.823 -0.098 0.000 0.996 583 V HN 0.568 nan 8.190 nan 0.000 0.425 584 V N 3.642 123.493 119.914 -0.105 0.000 2.427 584 V HA 0.469 4.578 4.120 -0.018 0.000 0.286 584 V C -1.110 174.935 176.094 -0.082 0.000 1.034 584 V CA -0.461 61.848 62.300 0.015 0.000 0.893 584 V CB 1.591 33.409 31.823 -0.008 0.000 0.982 584 V HN 0.916 nan 8.190 nan 0.000 0.452 585 W N 3.984 125.333 121.300 0.081 0.000 2.362 585 W HA 0.521 5.170 4.660 -0.018 0.000 0.316 585 W C -0.202 176.424 176.519 0.179 0.000 1.024 585 W CA -0.645 56.755 57.345 0.093 0.000 1.270 585 W CB 0.555 30.043 29.460 0.045 0.000 1.273 585 W HN 0.598 nan 8.180 nan 0.000 0.424 586 H N 1.618 120.781 119.070 0.155 0.000 2.504 586 H HA 0.534 5.079 4.556 -0.018 0.000 0.322 586 H C -0.406 175.109 175.328 0.312 0.000 1.055 586 H CA -0.266 55.833 56.048 0.084 0.000 1.231 586 H CB 1.053 30.651 29.762 -0.273 0.000 1.417 586 H HN 0.185 nan 8.280 nan 0.000 0.472 587 T N 7.194 121.769 114.554 0.034 0.000 2.799 587 T HA 0.441 4.780 4.350 -0.018 0.000 0.286 587 T C -1.054 173.558 174.700 -0.148 0.000 0.973 587 T CA -0.265 61.866 62.100 0.052 0.000 1.035 587 T CB -0.244 68.747 68.868 0.205 0.000 0.932 587 T HN 0.494 nan 8.240 nan 0.000 0.469 588 F N -0.102 119.729 119.950 -0.199 0.000 2.650 588 F HA 0.838 5.354 4.527 -0.018 0.000 0.310 588 F C -0.280 175.596 175.800 0.127 0.000 1.112 588 F CA -1.165 56.783 58.000 -0.087 0.000 0.986 588 F CB 1.010 39.936 39.000 -0.124 0.000 1.285 588 F HN 0.802 nan 8.300 nan 0.000 0.440 589 G N 1.728 110.602 108.800 0.124 0.000 2.600 589 G HA2 0.613 4.562 3.960 -0.018 0.000 0.293 589 G HA3 0.613 4.562 3.960 -0.018 0.000 0.293 589 G C -2.438 172.495 174.900 0.055 0.000 1.408 589 G CA -1.141 43.997 45.100 0.064 0.000 0.782 589 G HN 0.823 nan 8.290 nan 0.000 0.482 590 L N 0.215 121.413 121.223 -0.042 0.000 2.334 590 L HA 0.650 4.978 4.340 -0.018 0.000 0.276 590 L C -0.142 176.522 176.870 -0.344 0.000 1.014 590 L CA -0.720 54.017 54.840 -0.171 0.000 0.815 590 L CB 2.437 44.308 42.059 -0.315 0.000 1.268 590 L HN 0.427 nan 8.230 nan 0.000 0.428 591 T N 0.373 114.736 114.554 -0.318 0.000 2.791 591 T HA 0.387 4.726 4.350 -0.018 0.000 0.288 591 T C -0.720 173.658 174.700 -0.536 0.000 0.999 591 T CA -0.461 61.367 62.100 -0.453 0.000 0.952 591 T CB 0.322 69.000 68.868 -0.317 0.000 0.938 591 T HN 0.424 nan 8.240 nan 0.000 0.444 592 H N 2.065 120.615 119.070 -0.868 0.000 2.481 592 H HA 0.377 4.922 4.556 -0.018 0.000 0.333 592 H C -0.919 173.756 175.328 -1.088 0.000 1.066 592 H CA -0.981 54.574 56.048 -0.821 0.000 1.209 592 H CB 0.977 30.350 29.762 -0.648 0.000 1.445 592 H HN 0.488 nan 8.280 nan 0.000 0.488 593 F N 3.763 123.590 119.950 -0.204 0.000 2.307 593 F HA 0.274 4.790 4.527 -0.019 0.000 0.369 593 F C -2.161 173.616 175.800 -0.038 0.000 1.076 593 F CA -2.690 55.131 58.000 -0.297 0.000 1.149 593 F CB 0.433 39.072 39.000 -0.602 0.000 1.410 593 F HN 0.362 nan 8.300 nan 0.000 0.481 594 P HA 0.015 nan 4.420 nan 0.000 0.261 594 P C -0.150 177.247 177.300 0.162 0.000 1.165 594 P CA 0.365 63.579 63.100 0.191 0.000 0.759 594 P CB 0.543 32.419 31.700 0.293 0.000 0.772 595 R N 1.758 122.317 120.500 0.098 0.000 2.607 595 R HA 0.330 4.659 4.340 -0.018 0.000 0.261 595 R C 1.274 177.628 176.300 0.089 0.000 1.051 595 R CA -1.014 55.132 56.100 0.077 0.000 1.110 595 R CB 0.291 30.618 30.300 0.045 0.000 1.158 595 R HN 0.093 nan 8.270 nan 0.000 0.543 596 V N 1.278 121.232 119.914 0.067 0.000 2.594 596 V HA -0.193 3.916 4.120 -0.018 0.000 0.253 596 V C 1.438 177.608 176.094 0.127 0.000 1.069 596 V CA 1.783 64.139 62.300 0.092 0.000 1.082 596 V CB -0.586 31.268 31.823 0.053 0.000 0.680 596 V HN 0.681 nan 8.190 nan 0.000 0.469 597 E N 0.037 120.285 120.200 0.079 0.000 2.333 597 E HA -0.154 4.185 4.350 -0.018 0.000 0.198 597 E C 1.534 178.171 176.600 0.062 0.000 1.007 597 E CA 0.845 57.280 56.400 0.058 0.000 0.845 597 E CB -0.184 29.531 29.700 0.026 0.000 0.766 597 E HN 0.589 nan 8.360 nan 0.000 0.507 598 D N -1.000 119.460 120.400 0.100 0.000 2.340 598 D HA -0.044 4.585 4.640 -0.018 0.000 0.220 598 D C -0.285 176.132 176.300 0.195 0.000 1.039 598 D CA 0.195 54.258 54.000 0.104 0.000 0.866 598 D CB 0.156 41.017 40.800 0.102 0.000 0.913 598 D HN 0.214 nan 8.370 nan 0.000 0.523 599 W N 2.373 123.673 121.300 0.001 0.000 2.666 599 W HA 0.218 4.867 4.660 -0.018 0.000 0.334 599 W C -1.985 174.547 176.519 0.022 0.000 1.051 599 W CA -2.013 55.340 57.345 0.014 0.000 1.224 599 W CB 2.241 31.711 29.460 0.017 0.000 1.405 599 W HN -0.221 nan 8.180 nan 0.000 0.513 600 P HA 0.084 nan 4.420 nan 0.000 0.236 600 P C 0.018 176.890 177.300 -0.714 0.000 1.177 600 P CA 0.869 63.065 63.100 -1.507 0.000 0.773 600 P CB 1.405 32.477 31.700 -1.046 0.000 0.878 601 I N 0.482 120.810 120.570 -0.403 0.000 2.571 601 I HA 0.278 4.437 4.170 -0.018 0.000 0.289 601 I C -0.474 175.515 176.117 -0.214 0.000 1.115 601 I CA -1.798 59.271 61.300 -0.386 0.000 1.045 601 I CB 2.262 39.791 38.000 -0.786 0.000 1.238 601 I HN -0.249 nan 8.210 nan 0.000 0.424 602 M N 9.345 128.874 119.600 -0.118 0.000 2.235 602 M HA 0.603 5.072 4.480 -0.018 0.000 0.351 602 M C -2.571 173.680 176.300 -0.082 0.000 1.178 602 M CA -1.334 53.932 55.300 -0.057 0.000 1.143 602 M CB 0.863 33.472 32.600 0.015 0.000 1.530 602 M HN 0.218 nan 8.290 nan 0.000 0.461 603 P HA 0.118 nan 4.420 nan 0.000 0.274 603 P C -0.501 176.765 177.300 -0.056 0.000 1.237 603 P CA -0.423 62.637 63.100 -0.066 0.000 0.793 603 P CB 0.779 32.447 31.700 -0.053 0.000 0.977 604 V N 2.416 122.303 119.914 -0.045 0.000 2.617 604 V HA -0.042 4.067 4.120 -0.018 0.000 0.304 604 V C 0.751 176.821 176.094 -0.040 0.000 1.040 604 V CA 1.061 63.340 62.300 -0.037 0.000 1.149 604 V CB -0.303 31.508 31.823 -0.020 0.000 0.914 604 V HN 0.631 nan 8.190 nan 0.000 0.487 605 D N 2.750 123.129 120.400 -0.036 0.000 2.481 605 D HA 0.625 5.254 4.640 -0.018 0.000 0.244 605 D C -0.199 176.089 176.300 -0.020 0.000 1.057 605 D CA -0.230 53.771 54.000 0.002 0.000 0.848 605 D CB 2.101 42.952 40.800 0.086 0.000 1.388 605 D HN 0.723 nan 8.370 nan 0.000 0.475 606 T N -0.705 113.843 114.554 -0.010 0.000 2.924 606 T HA 0.786 5.125 4.350 -0.018 0.000 0.291 606 T C -0.763 173.964 174.700 0.045 0.000 1.045 606 T CA -0.849 61.226 62.100 -0.042 0.000 1.015 606 T CB 1.623 70.445 68.868 -0.077 0.000 1.103 606 T HN 0.245 nan 8.240 nan 0.000 0.496 607 V N -0.036 119.893 119.914 0.025 0.000 3.098 607 V HA 0.833 4.942 4.120 -0.018 0.000 0.294 607 V C -0.230 175.880 176.094 0.026 0.000 1.351 607 V CA 0.542 62.946 62.300 0.174 0.000 0.999 607 V CB 1.653 33.623 31.823 0.246 0.000 1.104 607 V HN 1.634 nan 8.190 nan 0.000 0.438 608 G N 3.336 111.970 108.800 -0.276 0.000 2.474 608 G HA2 0.744 4.693 3.960 -0.018 0.000 0.234 608 G HA3 0.744 4.693 3.960 -0.018 0.000 0.234 608 G C -1.377 172.992 174.900 -0.886 0.000 1.204 608 G CA 0.232 44.998 45.100 -0.557 0.000 0.939 608 G HN 1.931 nan 8.290 nan 0.000 0.491 609 F N -0.981 118.612 119.950 -0.595 0.000 2.807 609 F HA 0.839 5.355 4.527 -0.019 0.000 0.316 609 F C -1.153 174.628 175.800 -0.030 0.000 1.162 609 F CA -0.970 56.859 58.000 -0.285 0.000 0.910 609 F CB 1.450 40.296 39.000 -0.255 0.000 1.314 609 F HN 0.818 nan 8.300 nan 0.000 0.454 610 K N 0.949 121.519 120.400 0.282 0.000 2.556 610 K HA 0.827 5.136 4.320 -0.018 0.000 0.274 610 K C -2.499 174.343 176.600 0.403 0.000 0.966 610 K CA -1.032 55.399 56.287 0.241 0.000 0.865 610 K CB 2.618 35.215 32.500 0.162 0.000 1.444 610 K HN 0.726 nan 8.250 nan 0.000 0.433 611 L N 1.621 123.081 121.223 0.395 0.000 2.381 611 L HA 0.560 4.889 4.340 -0.018 0.000 0.274 611 L C -0.468 176.672 176.870 0.450 0.000 0.988 611 L CA -0.548 54.557 54.840 0.441 0.000 0.824 611 L CB 1.986 44.326 42.059 0.469 0.000 1.263 611 L HN 0.563 nan 8.230 nan 0.000 0.410 612 R N 3.207 123.887 120.500 0.299 0.000 2.711 612 R HA 0.569 4.898 4.340 -0.018 0.000 0.284 612 R C -2.555 173.491 176.300 -0.424 0.000 0.968 612 R CA -1.908 54.234 56.100 0.071 0.000 0.924 612 R CB 1.847 32.209 30.300 0.104 0.000 1.162 612 R HN 0.300 nan 8.270 nan 0.000 0.465 613 P HA -0.020 nan 4.420 nan 0.000 0.269 613 P C -0.715 176.358 177.300 -0.378 0.000 1.209 613 P CA 0.175 62.636 63.100 -1.065 0.000 0.776 613 P CB 0.733 32.173 31.700 -0.434 0.000 0.876 614 E N 1.662 121.706 120.200 -0.261 0.000 2.731 614 E HA 0.436 4.774 4.350 -0.018 0.000 0.248 614 E C 0.675 177.274 176.600 -0.001 0.000 1.084 614 E CA -0.326 56.032 56.400 -0.069 0.000 0.776 614 E CB -0.573 29.104 29.700 -0.038 0.000 1.404 614 E HN 0.678 nan 8.360 nan 0.000 0.395 615 G N 3.218 112.029 108.800 0.019 0.000 2.153 615 G HA2 -0.368 3.581 3.960 -0.018 0.000 0.252 615 G HA3 -0.368 3.581 3.960 -0.018 0.000 0.252 615 G C 0.563 175.467 174.900 0.007 0.000 0.994 615 G CA 0.427 45.540 45.100 0.022 0.000 0.698 615 G HN 0.539 nan 8.290 nan 0.000 0.521 616 F N 0.103 119.936 119.950 -0.195 0.000 2.163 616 F HA 0.447 4.963 4.527 -0.018 0.000 0.297 616 F C 1.312 176.824 175.800 -0.481 0.000 1.094 616 F CA 0.665 58.446 58.000 -0.365 0.000 1.290 616 F CB 0.025 38.692 39.000 -0.556 0.000 1.017 616 F HN 0.129 nan 8.300 nan 0.000 0.483 617 F N 0.145 120.118 119.950 0.038 0.000 2.457 617 F HA 0.239 4.755 4.527 -0.019 0.000 0.330 617 F C 1.351 177.119 175.800 -0.053 0.000 1.069 617 F CA -0.827 57.149 58.000 -0.040 0.000 1.009 617 F CB 0.351 39.347 39.000 -0.007 0.000 1.276 617 F HN -0.311 nan 8.300 nan 0.000 0.492 618 D N -0.057 120.437 120.400 0.157 0.000 2.349 618 D HA 0.075 4.704 4.640 -0.018 0.000 0.215 618 D C 0.276 176.615 176.300 0.065 0.000 1.016 618 D CA 0.601 54.642 54.000 0.067 0.000 0.870 618 D CB 0.269 41.091 40.800 0.037 0.000 0.917 618 D HN 0.514 nan 8.370 nan 0.000 0.524 619 R N -2.208 118.347 120.500 0.092 0.000 2.832 619 R HA 0.230 4.559 4.340 -0.018 0.000 0.283 619 R C -0.775 175.535 176.300 0.017 0.000 0.998 619 R CA -0.756 55.368 56.100 0.041 0.000 0.843 619 R CB 0.368 30.677 30.300 0.016 0.000 1.332 619 R HN -0.178 nan 8.270 nan 0.000 0.490 620 S N 1.027 116.714 115.700 -0.023 0.000 2.563 620 S HA 0.102 4.561 4.470 -0.018 0.000 0.294 620 S C -1.317 173.195 174.600 -0.146 0.000 1.279 620 S CA -0.759 57.396 58.200 -0.075 0.000 1.069 620 S CB 0.457 63.631 63.200 -0.043 0.000 0.828 620 S HN 0.518 nan 8.310 nan 0.000 0.497 621 P HA 0.126 nan 4.420 nan 0.000 0.257 621 P C 0.399 177.604 177.300 -0.159 0.000 1.281 621 P CA 0.154 63.019 63.100 -0.393 0.000 0.826 621 P CB -0.161 30.868 31.700 -1.118 0.000 1.237 622 V N -3.744 116.118 119.914 -0.087 0.000 2.940 622 V HA 0.263 4.372 4.120 -0.018 0.000 0.366 622 V C 1.390 177.507 176.094 0.038 0.000 1.353 622 V CA -0.132 62.165 62.300 -0.005 0.000 1.232 622 V CB -0.666 31.177 31.823 0.032 0.000 1.278 622 V HN -0.126 nan 8.190 nan 0.000 0.546 623 L N 1.022 122.260 121.223 0.025 0.000 2.395 623 L HA 0.079 4.408 4.340 -0.018 0.000 0.218 623 L C 2.064 178.975 176.870 0.068 0.000 1.130 623 L CA 1.231 56.108 54.840 0.062 0.000 0.826 623 L CB -0.167 41.906 42.059 0.024 0.000 0.941 623 L HN 0.565 nan 8.230 nan 0.000 0.451 624 D N -0.514 119.906 120.400 0.032 0.000 2.328 624 D HA -0.010 4.619 4.640 -0.018 0.000 0.221 624 D C 0.617 176.924 176.300 0.011 0.000 1.072 624 D CA 0.012 54.024 54.000 0.020 0.000 0.850 624 D CB -0.076 40.723 40.800 -0.002 0.000 0.922 624 D HN -0.004 nan 8.370 nan 0.000 0.516 625 V N 3.366 123.294 119.914 0.023 0.000 2.572 625 V HA 0.165 4.274 4.120 -0.018 0.000 0.291 625 V C -1.486 174.607 176.094 -0.001 0.000 1.039 625 V CA -1.014 61.289 62.300 0.004 0.000 1.055 625 V CB 0.970 32.802 31.823 0.016 0.000 0.969 625 V HN 0.187 nan 8.190 nan 0.000 0.482 626 P HA 0.245 nan 4.420 nan 0.000 0.275 626 P C 0.207 177.479 177.300 -0.047 0.000 1.266 626 P CA -0.273 62.814 63.100 -0.021 0.000 0.793 626 P CB 1.385 33.075 31.700 -0.016 0.000 1.074 627 A N 0.550 123.338 122.820 -0.053 0.000 1.911 627 A HA 0.028 4.337 4.320 -0.018 0.000 0.212 627 A C 0.828 178.383 177.584 -0.048 0.000 1.189 627 A CA 0.754 52.743 52.037 -0.078 0.000 0.639 627 A CB -1.442 17.512 19.000 -0.077 0.000 0.839 627 A HN 0.785 nan 8.150 nan 0.000 0.449 628 N N 0.000 118.683 118.700 -0.029 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.018 0.000 0.220 628 N CA 0.000 53.040 53.050 -0.016 0.000 0.885 628 N CB 0.000 38.483 38.487 -0.008 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667