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 2e2v_1_B DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTHFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.578 177.584 -0.010 0.000 1.274 9 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 9 A CB 0.000 19.002 19.000 0.004 0.000 0.831 10 S N 2.372 118.075 115.700 0.004 0.000 2.531 10 S HA 0.426 4.885 4.470 -0.017 0.000 0.279 10 S C -1.164 173.416 174.600 -0.034 0.000 1.305 10 S CA -0.596 57.615 58.200 0.019 0.000 1.058 10 S CB 0.977 64.221 63.200 0.074 0.000 0.899 10 S HN 0.364 nan 8.310 nan 0.000 0.493 11 P HA 0.016 nan 4.420 nan 0.000 0.234 11 P C 0.247 177.225 177.300 -0.537 0.000 1.167 11 P CA 0.760 63.648 63.100 -0.352 0.000 0.763 11 P CB -0.089 31.321 31.700 -0.483 0.000 0.835 12 F N 0.549 120.429 119.950 -0.117 0.000 2.641 12 F HA 0.214 4.730 4.527 -0.017 0.000 0.302 12 F C 1.557 177.296 175.800 -0.102 0.000 1.098 12 F CA -0.765 57.123 58.000 -0.187 0.000 1.318 12 F CB -0.187 38.692 39.000 -0.201 0.000 1.035 12 F HN -0.158 nan 8.300 nan 0.000 0.551 13 R N 0.572 121.106 120.500 0.058 0.000 2.738 13 R HA 0.297 4.627 4.340 -0.017 0.000 0.268 13 R C -0.091 176.239 176.300 0.050 0.000 1.062 13 R CA -0.535 55.605 56.100 0.067 0.000 1.158 13 R CB 0.474 30.803 30.300 0.048 0.000 1.046 13 R HN 0.132 nan 8.270 nan 0.000 0.493 14 L N 1.368 122.632 121.223 0.068 0.000 2.483 14 L HA 0.123 4.452 4.340 -0.017 0.000 0.275 14 L C 0.758 177.671 176.870 0.073 0.000 1.220 14 L CA -0.181 54.702 54.840 0.071 0.000 0.833 14 L CB 0.460 42.559 42.059 0.067 0.000 1.102 14 L HN 0.853 nan 8.230 nan 0.000 0.490 15 A N 2.213 125.090 122.820 0.095 0.000 2.462 15 A HA 0.368 4.677 4.320 -0.017 0.000 0.243 15 A C 0.291 177.947 177.584 0.120 0.000 1.076 15 A CA -0.159 51.982 52.037 0.173 0.000 0.773 15 A CB 0.204 19.365 19.000 0.268 0.000 1.010 15 A HN 0.743 nan 8.150 nan 0.000 0.493 16 S N 1.389 117.153 115.700 0.105 0.000 2.651 16 S HA 0.611 5.071 4.470 -0.017 0.000 0.291 16 S C 1.164 175.776 174.600 0.021 0.000 1.141 16 S CA -0.164 58.066 58.200 0.049 0.000 1.027 16 S CB 1.528 64.749 63.200 0.034 0.000 1.043 16 S HN 1.637 nan 8.310 nan 0.000 0.530 17 A N 2.035 124.858 122.820 0.004 0.000 1.917 17 A HA 0.065 4.375 4.320 -0.017 0.000 0.219 17 A C 2.148 179.711 177.584 -0.036 0.000 1.182 17 A CA 2.040 54.069 52.037 -0.013 0.000 0.633 17 A CB -1.854 17.140 19.000 -0.011 0.000 0.819 17 A HN 1.235 nan 8.150 nan 0.000 0.448 18 G N -0.741 108.040 108.800 -0.032 0.000 2.418 18 G HA2 -0.215 3.735 3.960 -0.017 0.000 0.217 18 G HA3 -0.215 3.735 3.960 -0.017 0.000 0.217 18 G C 1.435 176.280 174.900 -0.091 0.000 1.158 18 G CA 0.984 46.055 45.100 -0.049 0.000 0.771 18 G HN 0.669 nan 8.290 nan 0.000 0.545 19 E N -0.077 120.063 120.200 -0.101 0.000 2.077 19 E HA -0.063 4.276 4.350 -0.017 0.000 0.193 19 E C 2.508 178.864 176.600 -0.407 0.000 0.989 19 E CA 0.600 56.867 56.400 -0.223 0.000 0.800 19 E CB -0.132 29.499 29.700 -0.115 0.000 0.746 19 E HN 0.492 nan 8.360 nan 0.000 0.452 20 I N 0.628 121.033 120.570 -0.275 0.000 2.252 20 I HA -0.229 3.931 4.170 -0.017 0.000 0.245 20 I C 2.389 178.389 176.117 -0.195 0.000 1.102 20 I CA 0.693 61.835 61.300 -0.263 0.000 1.385 20 I CB -0.131 37.802 38.000 -0.110 0.000 1.064 20 I HN -0.015 nan 8.210 nan 0.000 0.414 21 S N 0.119 115.740 115.700 -0.132 0.000 2.399 21 S HA -0.210 4.249 4.470 -0.017 0.000 0.231 21 S C 1.893 176.427 174.600 -0.110 0.000 1.022 21 S CA 1.335 59.479 58.200 -0.092 0.000 0.983 21 S CB -0.172 62.991 63.200 -0.062 0.000 0.803 21 S HN 0.364 nan 8.310 nan 0.000 0.480 22 E N 1.018 121.128 120.200 -0.150 0.000 2.107 22 E HA -0.039 4.301 4.350 -0.017 0.000 0.191 22 E C 1.882 178.383 176.600 -0.165 0.000 0.982 22 E CA 0.656 56.971 56.400 -0.141 0.000 0.809 22 E CB -0.267 29.345 29.700 -0.147 0.000 0.756 22 E HN 0.226 nan 8.360 nan 0.000 0.459 23 V N 0.898 120.657 119.914 -0.258 0.000 2.295 23 V HA -0.294 3.815 4.120 -0.017 0.000 0.246 23 V C 2.558 178.578 176.094 -0.122 0.000 1.049 23 V CA 2.264 64.423 62.300 -0.236 0.000 1.024 23 V CB -0.602 31.011 31.823 -0.351 0.000 0.648 23 V HN 0.415 nan 8.190 nan 0.000 0.447 24 Q N 0.024 119.761 119.800 -0.106 0.000 2.061 24 Q HA -0.199 4.130 4.340 -0.017 0.000 0.204 24 Q C 2.251 178.229 176.000 -0.036 0.000 0.984 24 Q CA 2.251 58.024 55.803 -0.049 0.000 0.846 24 Q CB -0.541 28.178 28.738 -0.033 0.000 0.902 24 Q HN 0.649 nan 8.270 nan 0.000 0.421 25 G N 1.302 110.073 108.800 -0.049 0.000 2.421 25 G HA2 -0.224 3.725 3.960 -0.017 0.000 0.216 25 G HA3 -0.224 3.725 3.960 -0.017 0.000 0.216 25 G C 1.420 176.301 174.900 -0.031 0.000 1.171 25 G CA 0.884 45.962 45.100 -0.036 0.000 0.775 25 G HN 0.324 nan 8.290 nan 0.000 0.543 26 I N 1.013 121.558 120.570 -0.042 0.000 2.163 26 I HA -0.107 4.052 4.170 -0.017 0.000 0.243 26 I C 2.891 178.999 176.117 -0.015 0.000 1.085 26 I CA 0.862 62.144 61.300 -0.030 0.000 1.347 26 I CB -1.266 36.712 38.000 -0.037 0.000 1.044 26 I HN 0.159 nan 8.210 nan 0.000 0.408 27 L N -0.035 121.180 121.223 -0.014 0.000 2.046 27 L HA -0.206 4.123 4.340 -0.017 0.000 0.208 27 L C 2.820 179.694 176.870 0.007 0.000 1.077 27 L CA 1.356 56.198 54.840 0.004 0.000 0.747 27 L CB -0.589 41.476 42.059 0.010 0.000 0.896 27 L HN 0.182 nan 8.230 nan 0.000 0.432 28 R N -0.703 119.799 120.500 0.002 0.000 2.073 28 R HA -0.122 4.208 4.340 -0.017 0.000 0.234 28 R C 2.313 178.613 176.300 0.001 0.000 1.134 28 R CA 1.877 57.979 56.100 0.004 0.000 0.952 28 R CB -0.594 29.707 30.300 0.001 0.000 0.850 28 R HN 0.296 nan 8.270 nan 0.000 0.433 29 T N 0.651 115.202 114.554 -0.004 0.000 2.788 29 T HA -0.114 4.226 4.350 -0.017 0.000 0.268 29 T C 1.702 176.401 174.700 -0.000 0.000 1.044 29 T CA 1.383 63.480 62.100 -0.004 0.000 1.139 29 T CB -0.113 68.751 68.868 -0.007 0.000 0.867 29 T HN 0.356 nan 8.240 nan 0.000 0.454 30 A N 0.323 123.144 122.820 0.003 0.000 2.235 30 A HA 0.480 4.790 4.320 -0.017 0.000 0.208 30 A C 1.900 179.489 177.584 0.008 0.000 1.172 30 A CA 0.846 52.887 52.037 0.006 0.000 0.786 30 A CB -0.804 18.202 19.000 0.010 0.000 0.804 30 A HN 0.728 nan 8.150 nan 0.000 0.479 31 G N -1.234 107.571 108.800 0.007 0.000 2.147 31 G HA2 -0.241 3.709 3.960 -0.017 0.000 0.244 31 G HA3 -0.241 3.709 3.960 -0.017 0.000 0.244 31 G C 0.523 175.430 174.900 0.012 0.000 1.005 31 G CA 0.526 45.631 45.100 0.008 0.000 0.713 31 G HN 0.526 nan 8.290 nan 0.000 0.515 32 L N -1.349 119.884 121.223 0.017 0.000 2.640 32 L HA 0.465 4.795 4.340 -0.017 0.000 0.230 32 L C 1.078 177.966 176.870 0.030 0.000 1.123 32 L CA 0.066 54.921 54.840 0.024 0.000 0.900 32 L CB 0.566 42.644 42.059 0.032 0.000 1.146 32 L HN 0.200 nan 8.230 nan 0.000 0.484 33 L N 0.733 121.972 121.223 0.028 0.000 2.732 33 L HA 0.516 4.845 4.340 -0.017 0.000 0.246 33 L C 0.597 177.489 176.870 0.038 0.000 1.407 33 L CA -0.207 54.656 54.840 0.038 0.000 0.861 33 L CB 0.464 42.547 42.059 0.040 0.000 1.161 33 L HN -0.059 nan 8.230 nan 0.000 0.510 34 G N 0.832 109.650 108.800 0.030 0.000 2.621 34 G HA2 0.306 4.255 3.960 -0.017 0.000 0.271 34 G HA3 0.306 4.255 3.960 -0.017 0.000 0.271 34 G C -1.612 173.312 174.900 0.041 0.000 1.236 34 G CA -0.541 44.575 45.100 0.025 0.000 0.958 34 G HN 0.395 nan 8.290 nan 0.000 0.512 35 P HA -0.108 nan 4.420 nan 0.000 0.222 35 P C 1.161 178.500 177.300 0.066 0.000 1.147 35 P CA 1.205 64.331 63.100 0.043 0.000 0.790 35 P CB 0.237 31.945 31.700 0.013 0.000 0.780 36 E N -0.419 119.805 120.200 0.039 0.000 2.478 36 E HA 0.004 4.344 4.350 -0.017 0.000 0.194 36 E C 0.271 176.878 176.600 0.011 0.000 1.045 36 E CA 0.400 56.814 56.400 0.023 0.000 0.868 36 E CB -0.133 29.562 29.700 -0.008 0.000 0.885 36 E HN 0.120 nan 8.360 nan 0.000 0.505 37 K N 1.539 121.964 120.400 0.041 0.000 2.144 37 K HA 0.383 4.693 4.320 -0.017 0.000 0.270 37 K C 0.230 176.880 176.600 0.084 0.000 1.005 37 K CA -0.517 55.793 56.287 0.039 0.000 0.932 37 K CB 1.286 33.814 32.500 0.047 0.000 1.021 37 K HN -0.023 nan 8.250 nan 0.000 0.462 38 R N 1.712 122.255 120.500 0.073 0.000 2.604 38 R HA 0.444 4.774 4.340 -0.017 0.000 0.281 38 R C -0.199 176.149 176.300 0.079 0.000 1.020 38 R CA -0.722 55.411 56.100 0.056 0.000 0.899 38 R CB 1.374 31.735 30.300 0.101 0.000 1.205 38 R HN 0.573 nan 8.270 nan 0.000 0.450 39 I N 2.353 122.930 120.570 0.012 0.000 2.308 39 I HA 0.115 4.274 4.170 -0.017 0.000 0.293 39 I C 1.263 177.409 176.117 0.048 0.000 1.078 39 I CA 0.036 61.359 61.300 0.039 0.000 1.292 39 I CB 1.520 39.511 38.000 -0.014 0.000 1.423 39 I HN 0.735 nan 8.210 nan 0.000 0.493 40 A N 6.704 129.612 122.820 0.147 0.000 2.030 40 A HA 0.014 4.323 4.320 -0.017 0.000 0.215 40 A C 0.313 178.026 177.584 0.215 0.000 1.164 40 A CA 0.862 53.003 52.037 0.173 0.000 0.697 40 A CB 0.225 19.366 19.000 0.235 0.000 0.827 40 A HN 0.670 nan 8.150 nan 0.000 0.457 41 Y N -1.849 118.476 120.300 0.041 0.000 2.521 41 Y HA 0.582 5.121 4.550 -0.017 0.000 0.332 41 Y C -1.745 174.041 175.900 -0.191 0.000 1.121 41 Y CA -1.283 56.734 58.100 -0.138 0.000 1.037 41 Y CB 1.347 39.585 38.460 -0.369 0.000 1.330 41 Y HN 0.160 nan 8.280 nan 0.000 0.452 42 L N 5.350 125.857 121.223 -1.193 0.000 2.562 42 L HA 0.928 5.258 4.340 -0.017 0.000 0.266 42 L C -1.314 175.012 176.870 -0.907 0.000 0.949 42 L CA -0.183 54.170 54.840 -0.812 0.000 0.879 42 L CB 1.863 43.746 42.059 -0.293 0.000 1.278 42 L HN 0.942 nan 8.230 nan 0.000 0.404 43 G N 2.816 111.216 108.800 -0.666 0.000 2.704 43 G HA2 0.504 4.454 3.960 -0.017 0.000 0.293 43 G HA3 0.504 4.454 3.960 -0.017 0.000 0.293 43 G C -1.914 172.760 174.900 -0.377 0.000 1.421 43 G CA -0.567 44.302 45.100 -0.385 0.000 0.870 43 G HN 0.482 nan 8.290 nan 0.000 0.492 44 V N 1.377 120.937 119.914 -0.589 0.000 2.649 44 V HA 0.604 4.714 4.120 -0.017 0.000 0.292 44 V C 0.103 175.930 176.094 -0.445 0.000 1.055 44 V CA -0.547 61.157 62.300 -0.992 0.000 1.023 44 V CB 0.881 32.114 31.823 -0.984 0.000 0.992 44 V HN 0.567 nan 8.190 nan 0.000 0.480 45 L N 4.921 125.918 121.223 -0.377 0.000 2.357 45 L HA 0.489 4.819 4.340 -0.017 0.000 0.273 45 L C -0.060 176.696 176.870 -0.190 0.000 1.080 45 L CA -0.822 53.905 54.840 -0.188 0.000 0.803 45 L CB 1.202 43.189 42.059 -0.119 0.000 1.174 45 L HN 0.591 nan 8.230 nan 0.000 0.443 46 D N 2.601 122.937 120.400 -0.108 0.000 2.372 46 D HA 0.189 4.819 4.640 -0.017 0.000 0.243 46 D C -1.979 174.231 176.300 -0.150 0.000 1.121 46 D CA -0.793 53.137 54.000 -0.116 0.000 0.898 46 D CB 0.465 41.297 40.800 0.052 0.000 1.202 46 D HN 0.289 nan 8.370 nan 0.000 0.428 47 P HA 0.129 nan 4.420 nan 0.000 0.269 47 P C -0.744 176.505 177.300 -0.084 0.000 1.215 47 P CA -0.387 62.584 63.100 -0.214 0.000 0.780 47 P CB 0.525 32.014 31.700 -0.353 0.000 0.898 48 A N 3.566 126.351 122.820 -0.058 0.000 2.425 48 A HA 0.171 4.481 4.320 -0.017 0.000 0.242 48 A C 0.748 178.316 177.584 -0.027 0.000 1.077 48 A CA -0.332 51.693 52.037 -0.020 0.000 0.781 48 A CB -0.010 18.980 19.000 -0.016 0.000 1.020 48 A HN 0.428 nan 8.150 nan 0.000 0.494 49 R N 0.411 120.883 120.500 -0.046 0.000 2.640 49 R HA 0.339 4.669 4.340 -0.017 0.000 0.270 49 R C 0.970 177.241 176.300 -0.047 0.000 1.024 49 R CA 1.341 57.377 56.100 -0.106 0.000 1.085 49 R CB -0.596 29.576 30.300 -0.214 0.000 0.963 49 R HN 1.842 nan 8.270 nan 0.000 0.426 50 G N 0.793 109.583 108.800 -0.017 0.000 2.801 50 G HA2 -0.201 3.749 3.960 -0.017 0.000 0.686 50 G HA3 -0.201 3.749 3.960 -0.017 0.000 0.686 50 G C 0.176 175.082 174.900 0.010 0.000 1.507 50 G CA -0.191 44.915 45.100 0.010 0.000 0.980 50 G HN 0.758 nan 8.290 nan 0.000 0.589 51 A N 1.246 124.076 122.820 0.017 0.000 2.604 51 A HA 0.542 4.851 4.320 -0.017 0.000 0.248 51 A C 2.227 179.811 177.584 0.000 0.000 1.466 51 A CA 1.374 53.416 52.037 0.008 0.000 1.222 51 A CB -0.777 18.231 19.000 0.013 0.000 0.945 51 A HN 2.322 nan 8.150 nan 0.000 0.600 52 G N -0.540 108.258 108.800 -0.003 0.000 2.564 52 G HA2 0.057 4.006 3.960 -0.017 0.000 0.216 52 G HA3 0.057 4.006 3.960 -0.017 0.000 0.216 52 G C 0.586 175.481 174.900 -0.008 0.000 1.124 52 G CA 0.831 45.928 45.100 -0.005 0.000 0.764 52 G HN 0.509 nan 8.290 nan 0.000 0.550 53 S N -1.121 114.573 115.700 -0.012 0.000 2.501 53 S HA 0.339 4.798 4.470 -0.017 0.000 0.301 53 S C 0.711 175.303 174.600 -0.013 0.000 1.096 53 S CA -0.641 57.550 58.200 -0.015 0.000 1.063 53 S CB 2.642 65.828 63.200 -0.025 0.000 1.042 53 S HN 0.384 nan 8.310 nan 0.000 0.494 54 E N 1.770 121.964 120.200 -0.011 0.000 2.016 54 E HA 0.041 4.381 4.350 -0.017 0.000 0.190 54 E C 0.781 177.374 176.600 -0.012 0.000 0.985 54 E CA 0.903 57.297 56.400 -0.009 0.000 0.802 54 E CB 0.035 29.731 29.700 -0.007 0.000 0.762 54 E HN 0.729 nan 8.360 nan 0.000 0.448 55 A N 0.635 123.446 122.820 -0.016 0.000 2.468 55 A HA 0.371 4.681 4.320 -0.017 0.000 0.277 55 A C -0.613 176.953 177.584 -0.031 0.000 1.203 55 A CA -0.440 51.585 52.037 -0.020 0.000 0.932 55 A CB 0.554 19.544 19.000 -0.016 0.000 1.438 55 A HN 0.349 nan 8.150 nan 0.000 0.468 56 E N -0.441 119.737 120.200 -0.037 0.000 2.349 56 E HA 0.472 4.811 4.350 -0.017 0.000 0.265 56 E C -1.439 175.135 176.600 -0.043 0.000 1.064 56 E CA -0.331 56.035 56.400 -0.055 0.000 0.886 56 E CB 1.118 30.779 29.700 -0.066 0.000 1.036 56 E HN 0.376 nan 8.360 nan 0.000 0.413 57 D N 1.603 121.971 120.400 -0.054 0.000 2.330 57 D HA 0.141 4.771 4.640 -0.017 0.000 0.249 57 D C -1.070 175.209 176.300 -0.035 0.000 1.306 57 D CA -0.609 53.373 54.000 -0.031 0.000 0.956 57 D CB 0.533 41.318 40.800 -0.025 0.000 1.261 57 D HN 0.273 nan 8.370 nan 0.000 0.544 58 R N 3.171 123.668 120.500 -0.005 0.000 2.343 58 R HA 0.342 4.672 4.340 -0.017 0.000 0.326 58 R C 0.158 176.522 176.300 0.107 0.000 1.055 58 R CA -0.068 56.045 56.100 0.022 0.000 0.961 58 R CB 0.535 30.898 30.300 0.106 0.000 0.978 58 R HN 0.389 nan 8.270 nan 0.000 0.443 59 R N 2.401 122.915 120.500 0.024 0.000 2.589 59 R HA 0.472 4.801 4.340 -0.017 0.000 0.293 59 R C -0.664 175.655 176.300 0.032 0.000 0.963 59 R CA -0.605 55.548 56.100 0.087 0.000 0.905 59 R CB 1.323 31.632 30.300 0.016 0.000 1.144 59 R HN 0.245 nan 8.270 nan 0.000 0.459 60 F N 0.674 120.603 119.950 -0.035 0.000 2.532 60 F HA 0.487 5.003 4.527 -0.017 0.000 0.321 60 F C 0.326 176.109 175.800 -0.028 0.000 1.089 60 F CA -0.819 57.152 58.000 -0.048 0.000 0.926 60 F CB 1.870 40.830 39.000 -0.067 0.000 1.168 60 F HN 0.196 nan 8.300 nan 0.000 0.459 61 R N 1.843 122.400 120.500 0.094 0.000 2.514 61 R HA 0.879 5.209 4.340 -0.017 0.000 0.301 61 R C -1.936 174.384 176.300 0.033 0.000 0.962 61 R CA -0.562 55.598 56.100 0.100 0.000 0.882 61 R CB 1.660 32.031 30.300 0.119 0.000 1.143 61 R HN 0.554 nan 8.270 nan 0.000 0.452 62 V N 4.134 124.107 119.914 0.099 0.000 2.925 62 V HA 0.523 4.632 4.120 -0.017 0.000 0.311 62 V C -1.238 175.068 176.094 0.354 0.000 1.104 62 V CA -0.844 61.502 62.300 0.076 0.000 0.954 62 V CB 2.064 33.933 31.823 0.077 0.000 1.022 62 V HN 0.563 nan 8.190 nan 0.000 0.427 63 F N 4.086 124.190 119.950 0.257 0.000 2.402 63 F HA 0.599 5.116 4.527 -0.017 0.000 0.355 63 F C -0.075 175.830 175.800 0.175 0.000 1.123 63 F CA -1.735 56.419 58.000 0.256 0.000 1.021 63 F CB 1.421 40.618 39.000 0.329 0.000 1.160 63 F HN 0.137 nan 8.300 nan 0.000 0.451 64 I N 3.758 124.519 120.570 0.319 0.000 2.312 64 I HA 0.166 4.325 4.170 -0.017 0.000 0.290 64 I C 0.087 176.316 176.117 0.187 0.000 1.008 64 I CA -0.512 60.910 61.300 0.203 0.000 1.226 64 I CB 0.750 38.828 38.000 0.131 0.000 1.371 64 I HN 0.556 nan 8.210 nan 0.000 0.468 65 H N 5.873 124.993 119.070 0.082 0.000 2.482 65 H HA 0.398 4.944 4.556 -0.017 0.000 0.344 65 H C -1.005 174.345 175.328 0.037 0.000 1.151 65 H CA -0.213 55.864 56.048 0.048 0.000 1.300 65 H CB 1.260 31.052 29.762 0.051 0.000 1.494 65 H HN 0.544 nan 8.280 nan 0.000 0.542 66 D N 4.048 124.045 120.400 -0.672 0.000 2.481 66 D HA 0.086 4.716 4.640 -0.017 0.000 0.246 66 D C 1.057 176.948 176.300 -0.680 0.000 1.109 66 D CA -0.485 53.230 54.000 -0.475 0.000 0.845 66 D CB 1.582 42.252 40.800 -0.216 0.000 1.160 66 D HN 0.488 nan 8.370 nan 0.000 0.534 67 V N 2.143 121.816 119.914 -0.401 0.000 3.141 67 V HA -0.079 4.031 4.120 -0.017 0.000 0.265 67 V C 1.693 177.741 176.094 -0.078 0.000 1.126 67 V CA 1.726 63.923 62.300 -0.172 0.000 1.141 67 V CB -0.691 31.130 31.823 -0.002 0.000 0.743 67 V HN 0.501 nan 8.190 nan 0.000 0.492 68 S N -0.113 115.535 115.700 -0.088 0.000 2.558 68 S HA 0.417 4.877 4.470 -0.017 0.000 0.217 68 S C 1.696 176.272 174.600 -0.041 0.000 0.975 68 S CA 0.768 58.942 58.200 -0.043 0.000 0.912 68 S CB 0.275 63.454 63.200 -0.034 0.000 0.776 68 S HN 1.752 nan 8.310 nan 0.000 0.526 69 G N 0.351 109.112 108.800 -0.065 0.000 2.184 69 G HA2 0.027 3.976 3.960 -0.017 0.000 0.206 69 G HA3 0.027 3.976 3.960 -0.017 0.000 0.206 69 G C 0.237 175.111 174.900 -0.044 0.000 0.995 69 G CA -0.159 44.918 45.100 -0.038 0.000 0.651 69 G HN 1.095 nan 8.290 nan 0.000 0.511 70 A N 0.093 122.875 122.820 -0.064 0.000 2.296 70 A HA 0.764 5.074 4.320 -0.017 0.000 0.264 70 A C 0.836 178.386 177.584 -0.056 0.000 1.097 70 A CA -0.084 51.921 52.037 -0.053 0.000 0.811 70 A CB 0.318 19.287 19.000 -0.051 0.000 1.072 70 A HN 0.492 nan 8.150 nan 0.000 0.495 71 R N 0.898 121.369 120.500 -0.048 0.000 2.590 71 R HA 0.237 4.566 4.340 -0.017 0.000 0.274 71 R C -2.139 174.131 176.300 -0.051 0.000 1.061 71 R CA -0.999 55.069 56.100 -0.053 0.000 1.081 71 R CB 0.173 30.439 30.300 -0.057 0.000 0.984 71 R HN 0.589 nan 8.270 nan 0.000 0.448 72 P HA 0.074 nan 4.420 nan 0.000 0.277 72 P C -1.112 176.164 177.300 -0.041 0.000 1.271 72 P CA -0.317 62.769 63.100 -0.023 0.000 0.795 72 P CB 0.933 32.629 31.700 -0.006 0.000 1.101 73 Q N -0.981 118.828 119.800 0.015 0.000 2.416 73 Q HA 0.375 4.705 4.340 -0.017 0.000 0.281 73 Q C -0.974 175.104 176.000 0.131 0.000 1.067 73 Q CA -0.715 55.107 55.803 0.033 0.000 0.809 73 Q CB 2.598 31.364 28.738 0.045 0.000 1.418 73 Q HN 0.453 nan 8.270 nan 0.000 0.411 74 E N 1.551 121.841 120.200 0.150 0.000 2.133 74 E HA 0.510 4.849 4.350 -0.017 0.000 0.274 74 E C -1.482 175.264 176.600 0.242 0.000 0.930 74 E CA -0.518 56.073 56.400 0.318 0.000 0.770 74 E CB 1.394 31.293 29.700 0.332 0.000 1.104 74 E HN 0.321 nan 8.360 nan 0.000 0.403 75 V N 3.147 123.217 119.914 0.261 0.000 2.876 75 V HA 0.439 4.548 4.120 -0.017 0.000 0.312 75 V C -0.416 175.773 176.094 0.159 0.000 1.085 75 V CA -0.784 61.617 62.300 0.169 0.000 0.945 75 V CB 2.365 34.265 31.823 0.128 0.000 1.017 75 V HN 0.725 nan 8.190 nan 0.000 0.428 76 T N 3.295 117.921 114.554 0.120 0.000 2.840 76 T HA 0.644 4.984 4.350 -0.017 0.000 0.287 76 T C -0.527 174.226 174.700 0.088 0.000 0.991 76 T CA -0.421 61.743 62.100 0.107 0.000 0.964 76 T CB 1.490 70.411 68.868 0.090 0.000 0.954 76 T HN 0.807 nan 8.240 nan 0.000 0.438 77 V N 0.798 120.772 119.914 0.100 0.000 2.960 77 V HA 0.913 5.022 4.120 -0.017 0.000 0.315 77 V C -0.103 176.048 176.094 0.095 0.000 1.087 77 V CA -0.924 61.421 62.300 0.076 0.000 0.982 77 V CB 2.117 33.968 31.823 0.047 0.000 1.039 77 V HN 0.747 nan 8.190 nan 0.000 0.437 78 S N 1.624 117.360 115.700 0.061 0.000 2.448 78 S HA 0.401 4.861 4.470 -0.017 0.000 0.320 78 S C 0.726 175.351 174.600 0.041 0.000 1.071 78 S CA -0.071 58.167 58.200 0.062 0.000 1.113 78 S CB 0.913 64.133 63.200 0.034 0.000 0.972 78 S HN 1.801 nan 8.310 nan 0.000 0.465 79 V N 3.729 123.678 119.914 0.058 0.000 2.871 79 V HA 0.013 4.123 4.120 -0.017 0.000 0.256 79 V C 1.938 178.029 176.094 -0.005 0.000 1.082 79 V CA 1.817 64.105 62.300 -0.020 0.000 1.105 79 V CB -1.624 30.139 31.823 -0.101 0.000 0.713 79 V HN 0.773 nan 8.190 nan 0.000 0.473 80 T N 1.728 116.296 114.554 0.022 0.000 2.708 80 T HA -0.099 4.241 4.350 -0.017 0.000 0.266 80 T C 1.668 176.368 174.700 0.000 0.000 1.037 80 T CA 2.089 64.195 62.100 0.010 0.000 1.146 80 T CB -0.409 68.466 68.868 0.011 0.000 0.865 80 T HN 0.582 nan 8.240 nan 0.000 0.435 81 N N 0.233 118.935 118.700 0.003 0.000 2.299 81 N HA 0.167 4.896 4.740 -0.017 0.000 0.187 81 N C 1.234 176.741 175.510 -0.004 0.000 1.099 81 N CA 0.586 53.636 53.050 -0.000 0.000 0.867 81 N CB 0.511 39.000 38.487 0.003 0.000 0.974 81 N HN 0.513 nan 8.380 nan 0.000 0.477 82 G N 1.814 110.610 108.800 -0.008 0.000 2.272 82 G HA2 -0.264 3.685 3.960 -0.017 0.000 0.280 82 G HA3 -0.264 3.685 3.960 -0.017 0.000 0.280 82 G C 0.127 175.024 174.900 -0.007 0.000 1.067 82 G CA 0.996 46.087 45.100 -0.014 0.000 0.902 82 G HN 0.493 nan 8.290 nan 0.000 0.500 83 T N -3.801 110.753 114.554 0.001 0.000 2.916 83 T HA 0.712 5.051 4.350 -0.017 0.000 0.292 83 T C -0.371 174.338 174.700 0.015 0.000 1.064 83 T CA -0.703 61.401 62.100 0.007 0.000 1.011 83 T CB 2.837 71.710 68.868 0.009 0.000 1.152 83 T HN 0.745 nan 8.240 nan 0.000 0.510 84 V N 2.655 122.580 119.914 0.018 0.000 2.350 84 V HA 0.323 4.432 4.120 -0.017 0.000 0.276 84 V C 1.085 177.197 176.094 0.029 0.000 1.028 84 V CA -0.509 61.807 62.300 0.027 0.000 0.860 84 V CB 0.561 32.400 31.823 0.026 0.000 0.990 84 V HN 0.894 nan 8.190 nan 0.000 0.453 85 I N 3.261 123.853 120.570 0.036 0.000 2.277 85 I HA 0.009 4.169 4.170 -0.017 0.000 0.243 85 I C 0.931 177.069 176.117 0.035 0.000 1.094 85 I CA 0.952 62.272 61.300 0.033 0.000 1.393 85 I CB 0.258 38.280 38.000 0.036 0.000 1.078 85 I HN 0.747 nan 8.210 nan 0.000 0.417 86 S N -0.023 115.705 115.700 0.047 0.000 2.537 86 S HA 0.824 5.283 4.470 -0.017 0.000 0.270 86 S C -0.863 173.774 174.600 0.061 0.000 1.142 86 S CA -0.665 57.564 58.200 0.049 0.000 0.870 86 S CB 2.430 65.662 63.200 0.052 0.000 1.112 86 S HN 0.180 nan 8.310 nan 0.000 0.466 87 A N 1.273 124.125 122.820 0.053 0.000 2.456 87 A HA 0.757 5.066 4.320 -0.017 0.000 0.288 87 A C -0.675 176.935 177.584 0.044 0.000 1.042 87 A CA -0.487 51.584 52.037 0.057 0.000 0.738 87 A CB 1.071 20.098 19.000 0.046 0.000 1.266 87 A HN 2.123 nan 8.150 nan 0.000 0.407 88 V N -0.127 119.816 119.914 0.049 0.000 2.709 88 V HA 0.717 4.827 4.120 -0.017 0.000 0.308 88 V C -0.338 175.758 176.094 0.004 0.000 1.062 88 V CA -0.755 61.560 62.300 0.024 0.000 0.901 88 V CB 1.579 33.418 31.823 0.026 0.000 1.003 88 V HN 0.944 nan 8.190 nan 0.000 0.425 89 E N 3.271 123.461 120.200 -0.016 0.000 2.316 89 E HA 0.507 4.846 4.350 -0.017 0.000 0.275 89 E C -1.051 175.501 176.600 -0.080 0.000 1.029 89 E CA -0.555 55.821 56.400 -0.040 0.000 0.871 89 E CB 1.146 30.826 29.700 -0.034 0.000 1.022 89 E HN 0.756 nan 8.360 nan 0.000 0.418 90 L N 3.660 124.805 121.223 -0.130 0.000 2.307 90 L HA 0.261 4.590 4.340 -0.017 0.000 0.282 90 L C 0.054 176.809 176.870 -0.192 0.000 1.051 90 L CA -0.646 54.062 54.840 -0.220 0.000 0.804 90 L CB 1.137 42.953 42.059 -0.404 0.000 1.197 90 L HN 0.519 nan 8.230 nan 0.000 0.431 91 D N 1.306 121.594 120.400 -0.186 0.000 2.485 91 D HA 0.068 4.697 4.640 -0.017 0.000 0.221 91 D C 1.260 177.450 176.300 -0.184 0.000 1.112 91 D CA -0.313 53.602 54.000 -0.142 0.000 0.911 91 D CB 1.250 41.991 40.800 -0.098 0.000 1.019 91 D HN 0.677 nan 8.370 nan 0.000 0.516 92 T N 0.725 115.161 114.554 -0.196 0.000 2.803 92 T HA -0.158 4.182 4.350 -0.017 0.000 0.269 92 T C 1.859 176.481 174.700 -0.130 0.000 1.052 92 T CA 1.034 63.004 62.100 -0.216 0.000 1.136 92 T CB -0.125 68.635 68.868 -0.180 0.000 0.864 92 T HN 0.255 nan 8.240 nan 0.000 0.467 93 A N 1.204 123.973 122.820 -0.084 0.000 2.070 93 A HA 0.425 4.734 4.320 -0.017 0.000 0.220 93 A C 2.607 180.177 177.584 -0.024 0.000 1.159 93 A CA 1.621 53.631 52.037 -0.045 0.000 0.656 93 A CB -0.982 17.996 19.000 -0.038 0.000 0.800 93 A HN 0.777 nan 8.150 nan 0.000 0.453 94 A N -0.990 121.804 122.820 -0.043 0.000 1.909 94 A HA 0.137 4.447 4.320 -0.017 0.000 0.209 94 A C 2.192 179.788 177.584 0.021 0.000 1.247 94 A CA 1.710 53.741 52.037 -0.010 0.000 0.660 94 A CB -0.687 18.293 19.000 -0.033 0.000 0.910 94 A HN 0.648 nan 8.150 nan 0.000 0.465 95 T N -3.430 111.047 114.554 -0.129 0.000 3.086 95 T HA 0.475 4.814 4.350 -0.017 0.000 0.250 95 T C 0.840 175.170 174.700 -0.617 0.000 1.074 95 T CA 0.841 62.762 62.100 -0.298 0.000 0.988 95 T CB 0.016 68.722 68.868 -0.270 0.000 0.988 95 T HN 1.886 nan 8.240 nan 0.000 0.530 96 G N 0.875 109.460 108.800 -0.359 0.000 2.576 96 G HA2 0.098 4.047 3.960 -0.017 0.000 0.686 96 G HA3 0.098 4.047 3.960 -0.017 0.000 0.686 96 G C -1.137 173.600 174.900 -0.271 0.000 1.242 96 G CA -1.062 43.885 45.100 -0.254 0.000 0.819 96 G HN 0.212 nan 8.290 nan 0.000 0.655 97 E N -0.016 120.103 120.200 -0.136 0.000 2.342 97 E HA 0.521 4.861 4.350 -0.017 0.000 0.257 97 E C 1.150 177.703 176.600 -0.079 0.000 1.150 97 E CA -0.490 55.830 56.400 -0.133 0.000 0.926 97 E CB 0.862 30.516 29.700 -0.077 0.000 1.074 97 E HN 0.505 nan 8.360 nan 0.000 0.449 98 L N 1.497 122.683 121.223 -0.063 0.000 2.466 98 L HA 0.235 4.565 4.340 -0.017 0.000 0.257 98 L C -1.933 174.966 176.870 0.048 0.000 1.189 98 L CA -1.805 53.069 54.840 0.056 0.000 0.813 98 L CB -0.178 41.926 42.059 0.076 0.000 1.118 98 L HN 0.146 nan 8.230 nan 0.000 0.471 99 P HA -0.009 nan 4.420 nan 0.000 0.268 99 P C -0.623 176.689 177.300 0.020 0.000 1.208 99 P CA -0.289 62.847 63.100 0.061 0.000 0.777 99 P CB 0.430 32.210 31.700 0.133 0.000 0.875 100 V N 3.127 123.023 119.914 -0.029 0.000 2.673 100 V HA -0.059 4.051 4.120 -0.017 0.000 0.303 100 V C 0.639 176.827 176.094 0.157 0.000 1.046 100 V CA 0.374 62.677 62.300 0.004 0.000 1.126 100 V CB -0.220 31.532 31.823 -0.117 0.000 0.934 100 V HN 0.289 nan 8.190 nan 0.000 0.487 101 L N 3.597 124.905 121.223 0.141 0.000 2.334 101 L HA 0.298 4.628 4.340 -0.017 0.000 0.277 101 L C 1.462 178.496 176.870 0.272 0.000 1.075 101 L CA 0.432 55.359 54.840 0.145 0.000 0.804 101 L CB 0.631 42.716 42.059 0.042 0.000 1.174 101 L HN 0.774 nan 8.230 nan 0.000 0.438 102 E N 1.521 121.799 120.200 0.130 0.000 2.204 102 E HA -0.231 4.109 4.350 -0.017 0.000 0.195 102 E C 1.228 177.842 176.600 0.023 0.000 0.990 102 E CA 1.331 57.670 56.400 -0.102 0.000 0.821 102 E CB 0.320 29.946 29.700 -0.123 0.000 0.750 102 E HN 0.793 nan 8.360 nan 0.000 0.477 103 E N -0.055 120.192 120.200 0.078 0.000 2.478 103 E HA -0.148 4.192 4.350 -0.017 0.000 0.198 103 E C 1.167 177.867 176.600 0.168 0.000 1.046 103 E CA 0.704 57.165 56.400 0.102 0.000 0.870 103 E CB 0.056 29.792 29.700 0.060 0.000 0.818 103 E HN 0.345 nan 8.360 nan 0.000 0.527 104 E N -0.303 120.045 120.200 0.246 0.000 2.472 104 E HA 0.034 4.374 4.350 -0.017 0.000 0.196 104 E C 0.826 177.602 176.600 0.293 0.000 1.033 104 E CA -0.190 56.342 56.400 0.221 0.000 0.886 104 E CB 0.019 29.812 29.700 0.155 0.000 0.944 104 E HN 0.204 nan 8.360 nan 0.000 0.492 105 F N 2.393 122.401 119.950 0.097 0.000 2.161 105 F HA -0.184 4.333 4.527 -0.017 0.000 0.300 105 F C 2.347 178.193 175.800 0.078 0.000 1.089 105 F CA 1.564 59.628 58.000 0.106 0.000 1.282 105 F CB -0.201 38.869 39.000 0.116 0.000 1.010 105 F HN 0.130 nan 8.300 nan 0.000 0.485 106 E N -0.961 119.392 120.200 0.255 0.000 2.400 106 E HA -0.010 4.330 4.350 -0.017 0.000 0.195 106 E C 1.960 178.612 176.600 0.086 0.000 1.012 106 E CA 0.679 57.168 56.400 0.147 0.000 0.875 106 E CB -0.543 29.235 29.700 0.130 0.000 0.859 106 E HN 0.203 nan 8.360 nan 0.000 0.498 107 V N 1.546 121.512 119.914 0.086 0.000 2.407 107 V HA -0.242 3.867 4.120 -0.017 0.000 0.248 107 V C 2.422 178.511 176.094 -0.009 0.000 1.055 107 V CA 1.447 63.772 62.300 0.042 0.000 1.049 107 V CB -0.178 31.676 31.823 0.052 0.000 0.662 107 V HN 0.205 nan 8.190 nan 0.000 0.455 108 V N -0.049 119.853 119.914 -0.022 0.000 2.287 108 V HA -0.333 3.777 4.120 -0.017 0.000 0.248 108 V C 2.426 178.428 176.094 -0.155 0.000 1.053 108 V CA 2.504 64.749 62.300 -0.092 0.000 1.027 108 V CB -0.621 31.156 31.823 -0.077 0.000 0.646 108 V HN 0.666 nan 8.190 nan 0.000 0.447 109 E N -0.232 119.915 120.200 -0.089 0.000 2.051 109 E HA -0.269 4.070 4.350 -0.017 0.000 0.192 109 E C 2.315 178.865 176.600 -0.084 0.000 0.991 109 E CA 1.514 57.860 56.400 -0.089 0.000 0.799 109 E CB -0.091 29.610 29.700 0.003 0.000 0.748 109 E HN 0.704 nan 8.360 nan 0.000 0.449 110 Q N 0.230 120.008 119.800 -0.038 0.000 2.061 110 Q HA -0.189 4.141 4.340 -0.017 0.000 0.204 110 Q C 2.476 178.447 176.000 -0.048 0.000 0.984 110 Q CA 1.567 57.358 55.803 -0.020 0.000 0.846 110 Q CB -0.159 28.583 28.738 0.007 0.000 0.902 110 Q HN 0.358 nan 8.270 nan 0.000 0.421 111 L N 0.246 121.423 121.223 -0.078 0.000 2.017 111 L HA -0.198 4.132 4.340 -0.017 0.000 0.208 111 L C 2.308 179.092 176.870 -0.143 0.000 1.073 111 L CA 0.950 55.736 54.840 -0.090 0.000 0.745 111 L CB -0.374 41.630 42.059 -0.092 0.000 0.894 111 L HN 0.241 nan 8.230 nan 0.000 0.432 112 L N -0.430 120.621 121.223 -0.287 0.000 2.275 112 L HA -0.144 4.186 4.340 -0.017 0.000 0.215 112 L C 2.763 179.510 176.870 -0.206 0.000 1.119 112 L CA 0.726 55.272 54.840 -0.491 0.000 0.790 112 L CB -0.675 40.614 42.059 -1.284 0.000 0.919 112 L HN 0.231 nan 8.230 nan 0.000 0.443 113 A N -0.170 122.607 122.820 -0.072 0.000 2.076 113 A HA -0.175 4.134 4.320 -0.017 0.000 0.220 113 A C 2.048 179.691 177.584 0.100 0.000 1.160 113 A CA 2.055 54.146 52.037 0.089 0.000 0.653 113 A CB -0.658 18.376 19.000 0.057 0.000 0.801 113 A HN 0.493 nan 8.150 nan 0.000 0.455 114 T N -3.388 111.198 114.554 0.052 0.000 3.182 114 T HA 0.206 4.546 4.350 -0.017 0.000 0.277 114 T C -0.121 174.611 174.700 0.053 0.000 1.013 114 T CA -0.092 62.039 62.100 0.052 0.000 0.900 114 T CB -0.067 68.818 68.868 0.029 0.000 1.098 114 T HN 0.320 nan 8.240 nan 0.000 0.543 115 D N 1.423 121.869 120.400 0.077 0.000 2.249 115 D HA 0.158 4.788 4.640 -0.017 0.000 0.246 115 D C 0.692 177.062 176.300 0.117 0.000 1.114 115 D CA -0.176 53.871 54.000 0.078 0.000 0.854 115 D CB 1.528 42.364 40.800 0.060 0.000 1.132 115 D HN 0.290 nan 8.370 nan 0.000 0.461 116 E N 2.762 123.005 120.200 0.072 0.000 2.097 116 E HA -0.225 4.114 4.350 -0.017 0.000 0.196 116 E C 1.861 178.500 176.600 0.065 0.000 1.000 116 E CA 1.240 57.674 56.400 0.058 0.000 0.804 116 E CB 0.264 29.983 29.700 0.032 0.000 0.740 116 E HN 0.470 nan 8.360 nan 0.000 0.454 117 R N 0.086 120.631 120.500 0.075 0.000 2.081 117 R HA -0.122 4.208 4.340 -0.017 0.000 0.235 117 R C 2.234 178.600 176.300 0.110 0.000 1.131 117 R CA 1.408 57.549 56.100 0.069 0.000 0.960 117 R CB -0.384 29.951 30.300 0.059 0.000 0.856 117 R HN 0.407 nan 8.270 nan 0.000 0.436 118 W N 1.588 122.863 121.300 -0.042 0.000 2.355 118 W HA -0.166 4.484 4.660 -0.017 0.000 0.309 118 W C 1.523 178.025 176.519 -0.029 0.000 1.206 118 W CA 1.320 58.642 57.345 -0.039 0.000 1.284 118 W CB -0.192 29.247 29.460 -0.035 0.000 1.145 118 W HN 0.085 nan 8.180 nan 0.000 0.502 119 L N 0.808 122.099 121.223 0.113 0.000 2.079 119 L HA -0.274 4.056 4.340 -0.017 0.000 0.210 119 L C 2.619 179.445 176.870 -0.073 0.000 1.081 119 L CA 1.835 56.677 54.840 0.003 0.000 0.752 119 L CB -0.944 41.149 42.059 0.057 0.000 0.896 119 L HN -0.054 nan 8.230 nan 0.000 0.433 120 K N 0.359 120.729 120.400 -0.050 0.000 2.097 120 K HA -0.161 4.149 4.320 -0.017 0.000 0.205 120 K C 2.137 178.669 176.600 -0.113 0.000 1.050 120 K CA 1.217 57.467 56.287 -0.063 0.000 0.938 120 K CB -0.039 32.440 32.500 -0.035 0.000 0.718 120 K HN 0.261 nan 8.250 nan 0.000 0.442 121 A N 1.197 123.914 122.820 -0.172 0.000 1.930 121 A HA -0.078 4.231 4.320 -0.017 0.000 0.217 121 A C 2.061 179.475 177.584 -0.284 0.000 1.175 121 A CA 1.074 52.971 52.037 -0.233 0.000 0.627 121 A CB -0.469 18.338 19.000 -0.322 0.000 0.815 121 A HN 0.304 nan 8.150 nan 0.000 0.443 122 L N -0.974 120.034 121.223 -0.360 0.000 2.109 122 L HA -0.125 4.204 4.340 -0.017 0.000 0.207 122 L C 3.051 179.818 176.870 -0.171 0.000 1.086 122 L CA 0.915 55.569 54.840 -0.309 0.000 0.760 122 L CB -0.529 41.330 42.059 -0.333 0.000 0.910 122 L HN 0.436 nan 8.230 nan 0.000 0.437 123 A N 0.177 122.918 122.820 -0.132 0.000 1.969 123 A HA -0.110 4.199 4.320 -0.017 0.000 0.218 123 A C 2.472 180.010 177.584 -0.077 0.000 1.169 123 A CA 1.502 53.489 52.037 -0.083 0.000 0.635 123 A CB -0.534 18.429 19.000 -0.061 0.000 0.810 123 A HN 0.382 nan 8.150 nan 0.000 0.445 124 A N -0.471 122.296 122.820 -0.088 0.000 2.121 124 A HA -0.062 4.248 4.320 -0.017 0.000 0.218 124 A C 2.017 179.559 177.584 -0.070 0.000 1.154 124 A CA 1.233 53.226 52.037 -0.072 0.000 0.679 124 A CB -0.275 18.681 19.000 -0.074 0.000 0.795 124 A HN 0.533 nan 8.150 nan 0.000 0.458 125 R N -0.559 119.889 120.500 -0.086 0.000 2.432 125 R HA 0.122 4.452 4.340 -0.017 0.000 0.260 125 R C -0.332 175.929 176.300 -0.065 0.000 0.935 125 R CA 0.017 56.072 56.100 -0.074 0.000 1.080 125 R CB 0.180 30.423 30.300 -0.095 0.000 1.155 125 R HN 0.424 nan 8.270 nan 0.000 0.531 126 N N 1.166 119.829 118.700 -0.062 0.000 2.727 126 N HA -0.194 4.536 4.740 -0.017 0.000 0.249 126 N C -1.000 174.478 175.510 -0.052 0.000 1.048 126 N CA 1.021 54.042 53.050 -0.050 0.000 0.714 126 N CB -1.244 37.221 38.487 -0.037 0.000 0.959 126 N HN 0.307 nan 8.380 nan 0.000 0.544 127 L N 0.313 121.495 121.223 -0.069 0.000 2.296 127 L HA 0.315 4.644 4.340 -0.017 0.000 0.286 127 L C 0.585 177.423 176.870 -0.053 0.000 1.023 127 L CA -0.931 53.869 54.840 -0.067 0.000 0.812 127 L CB 1.490 43.492 42.059 -0.094 0.000 1.223 127 L HN -0.074 nan 8.230 nan 0.000 0.421 128 D N 2.248 122.630 120.400 -0.031 0.000 2.343 128 D HA 0.001 4.631 4.640 -0.017 0.000 0.255 128 D C 0.839 177.140 176.300 0.003 0.000 1.187 128 D CA 0.001 53.994 54.000 -0.012 0.000 0.875 128 D CB 1.785 42.584 40.800 -0.002 0.000 1.136 128 D HN 0.278 nan 8.370 nan 0.000 0.469 129 V N 3.801 123.725 119.914 0.017 0.000 2.546 129 V HA -0.258 3.852 4.120 -0.017 0.000 0.254 129 V C 1.985 178.122 176.094 0.070 0.000 1.076 129 V CA 2.881 65.217 62.300 0.060 0.000 1.087 129 V CB -0.630 31.247 31.823 0.090 0.000 0.674 129 V HN 0.755 nan 8.190 nan 0.000 0.470 130 S N -1.189 114.539 115.700 0.047 0.000 2.474 130 S HA -0.098 4.361 4.470 -0.017 0.000 0.235 130 S C 1.709 176.331 174.600 0.037 0.000 0.997 130 S CA 1.114 59.340 58.200 0.044 0.000 0.949 130 S CB -0.353 62.868 63.200 0.035 0.000 0.766 130 S HN 0.747 nan 8.310 nan 0.000 0.517 131 K N 0.663 121.080 120.400 0.029 0.000 2.358 131 K HA 0.299 4.609 4.320 -0.017 0.000 0.200 131 K C -0.745 175.866 176.600 0.018 0.000 1.030 131 K CA -0.058 56.238 56.287 0.014 0.000 1.097 131 K CB 1.012 33.512 32.500 0.000 0.000 0.862 131 K HN 0.213 nan 8.250 nan 0.000 0.534 132 V N 3.423 123.366 119.914 0.048 0.000 2.348 132 V HA 0.209 4.318 4.120 -0.017 0.000 0.270 132 V C 0.186 176.345 176.094 0.109 0.000 1.037 132 V CA -0.765 61.581 62.300 0.077 0.000 0.872 132 V CB 0.742 32.628 31.823 0.106 0.000 1.002 132 V HN 0.151 nan 8.190 nan 0.000 0.464 133 R N 3.269 123.816 120.500 0.079 0.000 2.459 133 R HA 0.607 4.937 4.340 -0.017 0.000 0.281 133 R C -0.783 175.602 176.300 0.142 0.000 1.050 133 R CA -0.474 55.667 56.100 0.067 0.000 1.055 133 R CB 1.814 32.096 30.300 -0.030 0.000 1.045 133 R HN 0.448 nan 8.270 nan 0.000 0.495 134 V N 1.992 121.980 119.914 0.123 0.000 2.443 134 V HA 0.365 4.475 4.120 -0.017 0.000 0.293 134 V C 0.081 176.258 176.094 0.138 0.000 1.021 134 V CA -1.162 61.228 62.300 0.150 0.000 0.848 134 V CB 1.608 33.456 31.823 0.041 0.000 0.998 134 V HN 0.867 nan 8.190 nan 0.000 0.424 135 A N 7.656 130.621 122.820 0.242 0.000 2.409 135 A HA 0.608 4.917 4.320 -0.017 0.000 0.262 135 A C -2.111 175.564 177.584 0.151 0.000 1.113 135 A CA -1.214 50.956 52.037 0.221 0.000 0.790 135 A CB 0.159 19.407 19.000 0.413 0.000 1.046 135 A HN 0.611 nan 8.150 nan 0.000 0.496 136 P HA 0.299 nan 4.420 nan 0.000 0.266 136 P C -0.982 176.331 177.300 0.022 0.000 1.586 136 P CA 0.194 63.258 63.100 -0.060 0.000 1.088 136 P CB 0.092 31.625 31.700 -0.277 0.000 1.584 137 L N 2.338 123.677 121.223 0.193 0.000 2.322 137 L HA 0.376 4.706 4.340 -0.017 0.000 0.279 137 L C 1.200 178.329 176.870 0.432 0.000 1.036 137 L CA -0.830 54.258 54.840 0.414 0.000 0.807 137 L CB 1.213 43.691 42.059 0.697 0.000 1.226 137 L HN 0.255 nan 8.230 nan 0.000 0.433 138 S N 1.110 117.166 115.700 0.592 0.000 2.568 138 S HA 0.245 4.704 4.470 -0.017 0.000 0.282 138 S C 0.860 175.675 174.600 0.357 0.000 1.338 138 S CA -0.120 58.291 58.200 0.352 0.000 1.045 138 S CB 1.451 64.871 63.200 0.367 0.000 0.873 138 S HN 0.744 nan 8.310 nan 0.000 0.516 139 A N 2.857 125.769 122.820 0.154 0.000 2.095 139 A HA 0.578 4.887 4.320 -0.017 0.000 0.212 139 A C 1.536 179.267 177.584 0.244 0.000 1.162 139 A CA 0.570 52.645 52.037 0.064 0.000 0.753 139 A CB -1.429 17.503 19.000 -0.112 0.000 0.840 139 A HN 2.265 nan 8.150 nan 0.000 0.468 140 G N -1.505 107.420 108.800 0.208 0.000 2.645 140 G HA2 -0.074 3.875 3.960 -0.017 0.000 0.246 140 G HA3 -0.074 3.875 3.960 -0.017 0.000 0.246 140 G C -0.363 174.515 174.900 -0.037 0.000 1.322 140 G CA -0.162 45.026 45.100 0.147 0.000 0.898 140 G HN 1.112 nan 8.290 nan 0.000 0.573 141 V N 0.784 120.457 119.914 -0.403 0.000 2.482 141 V HA 0.772 4.881 4.120 -0.017 0.000 0.295 141 V C -0.200 175.355 176.094 -0.898 0.000 1.026 141 V CA -0.331 61.715 62.300 -0.424 0.000 0.856 141 V CB 1.186 32.816 31.823 -0.322 0.000 1.001 141 V HN 0.726 nan 8.190 nan 0.000 0.424 142 F N 1.532 121.454 119.950 -0.046 0.000 3.305 142 F HA 0.432 4.949 4.527 -0.017 0.000 0.292 142 F C 1.436 177.099 175.800 -0.228 0.000 1.516 142 F CA -0.616 57.309 58.000 -0.126 0.000 1.010 142 F CB 0.420 39.342 39.000 -0.130 0.000 1.738 142 F HN 0.452 nan 8.300 nan 0.000 0.402 143 E N 0.688 120.750 120.200 -0.230 0.000 2.437 143 E HA -0.018 4.322 4.350 -0.017 0.000 0.189 143 E C -1.112 175.298 176.600 -0.318 0.000 1.054 143 E CA 0.238 56.463 56.400 -0.292 0.000 0.874 143 E CB -0.672 28.869 29.700 -0.265 0.000 1.011 143 E HN 0.505 nan 8.360 nan 0.000 0.474 144 Y N 1.047 121.394 120.300 0.078 0.000 2.650 144 Y HA 0.441 4.981 4.550 -0.017 0.000 0.343 144 Y C 1.575 177.491 175.900 0.026 0.000 1.078 144 Y CA -0.281 57.852 58.100 0.056 0.000 1.356 144 Y CB 0.745 39.236 38.460 0.052 0.000 1.204 144 Y HN 0.088 nan 8.280 nan 0.000 0.508 145 A N 2.307 125.200 122.820 0.122 0.000 1.948 145 A HA -0.236 4.073 4.320 -0.017 0.000 0.220 145 A C 2.182 179.807 177.584 0.068 0.000 1.177 145 A CA 1.952 54.030 52.037 0.068 0.000 0.636 145 A CB -0.277 18.750 19.000 0.045 0.000 0.815 145 A HN 0.731 nan 8.150 nan 0.000 0.449 146 E N 0.578 120.833 120.200 0.091 0.000 2.409 146 E HA -0.177 4.163 4.350 -0.017 0.000 0.198 146 E C 1.152 177.781 176.600 0.049 0.000 1.024 146 E CA 1.312 57.749 56.400 0.062 0.000 0.861 146 E CB -0.425 29.312 29.700 0.061 0.000 0.788 146 E HN 0.776 nan 8.360 nan 0.000 0.521 147 E N 0.667 120.907 120.200 0.067 0.000 2.385 147 E HA 0.051 4.391 4.350 -0.017 0.000 0.194 147 E C 0.188 176.797 176.600 0.015 0.000 1.013 147 E CA -0.176 56.246 56.400 0.036 0.000 0.866 147 E CB 0.117 29.846 29.700 0.048 0.000 0.832 147 E HN 0.159 nan 8.360 nan 0.000 0.500 148 R N 0.391 120.900 120.500 0.016 0.000 2.446 148 R HA 0.124 4.454 4.340 -0.017 0.000 0.314 148 R C 0.839 177.133 176.300 -0.010 0.000 1.003 148 R CA 0.754 56.852 56.100 -0.003 0.000 1.018 148 R CB 0.248 30.546 30.300 -0.005 0.000 0.945 148 R HN 0.275 nan 8.270 nan 0.000 0.419 149 G N 2.631 111.419 108.800 -0.020 0.000 2.194 149 G HA2 -0.295 3.654 3.960 -0.017 0.000 0.236 149 G HA3 -0.295 3.654 3.960 -0.017 0.000 0.236 149 G C 0.126 175.012 174.900 -0.022 0.000 0.987 149 G CA -0.337 44.747 45.100 -0.028 0.000 0.635 149 G HN 0.520 nan 8.290 nan 0.000 0.520 150 R N -0.141 120.350 120.500 -0.015 0.000 2.604 150 R HA 0.626 4.956 4.340 -0.017 0.000 0.287 150 R C 0.228 176.519 176.300 -0.015 0.000 0.970 150 R CA -0.911 55.184 56.100 -0.009 0.000 0.946 150 R CB 1.245 31.543 30.300 -0.004 0.000 1.127 150 R HN 0.141 nan 8.270 nan 0.000 0.473 151 R N 3.099 123.595 120.500 -0.007 0.000 2.248 151 R HA 0.208 4.538 4.340 -0.017 0.000 0.337 151 R C -0.606 175.680 176.300 -0.025 0.000 1.106 151 R CA -0.093 55.996 56.100 -0.018 0.000 0.959 151 R CB 0.221 30.519 30.300 -0.003 0.000 1.075 151 R HN 0.395 nan 8.270 nan 0.000 0.480 152 I N 5.605 126.152 120.570 -0.040 0.000 2.603 152 I HA 0.403 4.562 4.170 -0.017 0.000 0.300 152 I C -0.161 175.917 176.117 -0.065 0.000 1.017 152 I CA -0.916 60.351 61.300 -0.056 0.000 1.098 152 I CB 1.780 39.732 38.000 -0.080 0.000 1.279 152 I HN 0.567 nan 8.210 nan 0.000 0.437 153 L N 5.048 126.230 121.223 -0.068 0.000 2.401 153 L HA 0.543 4.873 4.340 -0.017 0.000 0.266 153 L C -0.165 176.651 176.870 -0.090 0.000 0.991 153 L CA -0.774 54.032 54.840 -0.057 0.000 0.818 153 L CB 2.616 44.656 42.059 -0.033 0.000 1.321 153 L HN 0.527 nan 8.230 nan 0.000 0.413 154 R N 0.735 121.166 120.500 -0.115 0.000 2.598 154 R HA 0.739 5.069 4.340 -0.017 0.000 0.279 154 R C -0.237 176.073 176.300 0.018 0.000 0.984 154 R CA -0.766 55.230 56.100 -0.174 0.000 0.999 154 R CB 1.900 31.754 30.300 -0.742 0.000 1.114 154 R HN 0.742 nan 8.270 nan 0.000 0.493 155 G N 1.727 110.559 108.800 0.054 0.000 2.566 155 G HA2 0.592 4.542 3.960 -0.017 0.000 0.311 155 G HA3 0.592 4.542 3.960 -0.017 0.000 0.311 155 G C -1.083 173.973 174.900 0.259 0.000 1.322 155 G CA -0.600 44.572 45.100 0.120 0.000 0.969 155 G HN 0.268 nan 8.290 nan 0.000 0.490 156 L N 1.402 122.831 121.223 0.343 0.000 2.365 156 L HA 0.724 5.053 4.340 -0.017 0.000 0.273 156 L C 0.490 177.426 176.870 0.110 0.000 1.000 156 L CA -1.038 53.969 54.840 0.278 0.000 0.819 156 L CB 2.210 44.500 42.059 0.384 0.000 1.284 156 L HN 0.651 nan 8.230 nan 0.000 0.418 157 A N 2.818 125.603 122.820 -0.059 0.000 2.304 157 A HA 0.852 5.162 4.320 -0.017 0.000 0.301 157 A C -1.180 176.023 177.584 -0.636 0.000 1.132 157 A CA -0.143 51.829 52.037 -0.109 0.000 0.819 157 A CB 0.475 19.513 19.000 0.064 0.000 1.094 157 A HN 0.502 nan 8.150 nan 0.000 0.492 158 F N 0.673 120.596 119.950 -0.046 0.000 2.574 158 F HA 0.412 4.929 4.527 -0.017 0.000 0.313 158 F C -0.185 175.562 175.800 -0.087 0.000 1.130 158 F CA -0.675 57.252 58.000 -0.121 0.000 0.936 158 F CB 2.187 40.984 39.000 -0.338 0.000 1.219 158 F HN 0.305 nan 8.300 nan 0.000 0.445 159 V N 2.879 122.871 119.914 0.129 0.000 2.498 159 V HA 0.300 4.410 4.120 -0.017 0.000 0.279 159 V C -0.283 175.859 176.094 0.079 0.000 1.048 159 V CA -0.474 61.864 62.300 0.063 0.000 0.967 159 V CB 1.385 33.205 31.823 -0.005 0.000 0.988 159 V HN 0.773 nan 8.190 nan 0.000 0.473 160 Q N 2.993 122.784 119.800 -0.014 0.000 2.368 160 Q HA 0.246 4.576 4.340 -0.017 0.000 0.263 160 Q C 0.076 176.003 176.000 -0.121 0.000 1.009 160 Q CA -0.644 55.106 55.803 -0.088 0.000 0.818 160 Q CB 1.301 29.962 28.738 -0.129 0.000 1.239 160 Q HN 0.759 nan 8.270 nan 0.000 0.464 161 D N 3.630 123.922 120.400 -0.180 0.000 2.219 161 D HA -0.012 4.617 4.640 -0.017 0.000 0.205 161 D C 0.044 176.422 176.300 0.129 0.000 0.970 161 D CA 1.212 55.188 54.000 -0.041 0.000 0.851 161 D CB 0.111 40.960 40.800 0.082 0.000 0.943 161 D HN 0.434 nan 8.370 nan 0.000 0.488 162 F N -4.359 115.589 119.950 -0.002 0.000 2.741 162 F HA 0.379 4.895 4.527 -0.017 0.000 0.313 162 F C -2.417 173.377 175.800 -0.010 0.000 1.153 162 F CA -2.199 55.795 58.000 -0.010 0.000 0.931 162 F CB 0.447 39.434 39.000 -0.020 0.000 1.335 162 F HN -0.425 nan 8.300 nan 0.000 0.460 163 P HA -0.182 nan 4.420 nan 0.000 0.218 163 P C 0.296 177.612 177.300 0.027 0.000 1.154 163 P CA 2.322 65.469 63.100 0.078 0.000 0.872 163 P CB 0.142 31.905 31.700 0.107 0.000 0.790 164 E N -1.508 118.763 120.200 0.117 0.000 2.451 164 E HA 0.069 4.408 4.350 -0.017 0.000 0.194 164 E C -0.064 176.440 176.600 -0.160 0.000 1.027 164 E CA -0.274 56.150 56.400 0.040 0.000 0.914 164 E CB -0.122 29.665 29.700 0.145 0.000 1.054 164 E HN 0.291 nan 8.360 nan 0.000 0.461 165 D N 0.609 120.644 120.400 -0.608 0.000 2.304 165 D HA 0.014 4.643 4.640 -0.017 0.000 0.247 165 D C -0.493 175.588 176.300 -0.365 0.000 1.089 165 D CA -0.054 53.449 54.000 -0.830 0.000 0.910 165 D CB 1.212 41.148 40.800 -1.439 0.000 1.199 165 D HN -0.168 nan 8.370 nan 0.000 0.426 166 S N 2.271 117.828 115.700 -0.239 0.000 2.411 166 S HA 0.407 4.867 4.470 -0.017 0.000 0.304 166 S C 1.095 175.607 174.600 -0.146 0.000 1.098 166 S CA -0.203 57.929 58.200 -0.114 0.000 1.068 166 S CB 0.193 63.382 63.200 -0.018 0.000 1.032 166 S HN 0.517 nan 8.310 nan 0.000 0.511 167 A N 5.083 127.714 122.820 -0.314 0.000 1.978 167 A HA -0.062 4.248 4.320 -0.017 0.000 0.220 167 A C 1.462 178.855 177.584 -0.317 0.000 1.170 167 A CA 1.122 52.962 52.037 -0.329 0.000 0.636 167 A CB -0.806 17.897 19.000 -0.495 0.000 0.810 167 A HN 0.996 nan 8.150 nan 0.000 0.448 168 W N -0.168 121.063 121.300 -0.115 0.000 2.387 168 W HA -0.029 4.621 4.660 -0.017 0.000 0.272 168 W C 2.376 178.981 176.519 0.143 0.000 1.224 168 W CA 0.790 58.059 57.345 -0.127 0.000 1.210 168 W CB -0.182 29.216 29.460 -0.103 0.000 1.125 168 W HN 0.381 nan 8.180 nan 0.000 0.572 169 A N -0.722 122.246 122.820 0.248 0.000 2.167 169 A HA -0.051 4.259 4.320 -0.017 0.000 0.214 169 A C 0.580 178.013 177.584 -0.250 0.000 1.151 169 A CA 0.778 52.866 52.037 0.085 0.000 0.735 169 A CB -0.550 18.423 19.000 -0.045 0.000 0.802 169 A HN 0.326 nan 8.150 nan 0.000 0.467 170 H N -0.095 119.097 119.070 0.202 0.000 2.386 170 H HA 0.252 4.798 4.556 -0.017 0.000 0.232 170 H C -2.928 172.465 175.328 0.109 0.000 1.416 170 H CA -2.362 53.759 56.048 0.121 0.000 1.285 170 H CB -0.259 29.546 29.762 0.073 0.000 1.625 170 H HN 0.347 nan 8.280 nan 0.000 0.521 171 P HA 0.019 nan 4.420 nan 0.000 0.271 171 P C 0.321 177.521 177.300 -0.168 0.000 1.216 171 P CA -0.301 62.748 63.100 -0.086 0.000 0.776 171 P CB 1.990 33.690 31.700 -0.000 0.000 0.881 172 V N 3.710 123.430 119.914 -0.325 0.000 2.247 172 V HA 0.136 4.245 4.120 -0.017 0.000 0.262 172 V C 0.738 176.687 176.094 -0.241 0.000 1.096 172 V CA -0.267 61.902 62.300 -0.218 0.000 0.895 172 V CB 0.058 31.747 31.823 -0.223 0.000 1.141 172 V HN 0.537 nan 8.190 nan 0.000 0.478 173 D N 3.041 123.292 120.400 -0.248 0.000 2.358 173 D HA 0.386 5.015 4.640 -0.017 0.000 0.244 173 D C 1.279 177.381 176.300 -0.330 0.000 1.163 173 D CA 1.411 55.140 54.000 -0.452 0.000 0.945 173 D CB 1.734 41.976 40.800 -0.929 0.000 1.152 173 D HN 0.741 nan 8.370 nan 0.000 0.451 174 G N 0.516 109.100 108.800 -0.360 0.000 2.143 174 G HA2 -0.211 3.739 3.960 -0.017 0.000 0.249 174 G HA3 -0.211 3.739 3.960 -0.017 0.000 0.249 174 G C -0.149 174.761 174.900 0.017 0.000 0.981 174 G CA 0.563 45.669 45.100 0.010 0.000 0.665 174 G HN 0.493 nan 8.290 nan 0.000 0.528 175 L N -0.198 121.005 121.223 -0.032 0.000 2.464 175 L HA 0.914 5.243 4.340 -0.017 0.000 0.266 175 L C -0.790 176.137 176.870 0.096 0.000 0.965 175 L CA -1.025 53.809 54.840 -0.011 0.000 0.833 175 L CB 2.402 44.380 42.059 -0.135 0.000 1.296 175 L HN 0.690 nan 8.230 nan 0.000 0.405 176 V N 3.897 123.898 119.914 0.144 0.000 3.048 176 V HA 0.985 5.094 4.120 -0.017 0.000 0.303 176 V C -1.398 174.732 176.094 0.059 0.000 1.214 176 V CA 0.355 62.776 62.300 0.202 0.000 0.984 176 V CB 2.090 34.071 31.823 0.264 0.000 1.054 176 V HN 1.242 nan 8.190 nan 0.000 0.430 177 A N 4.798 127.643 122.820 0.041 0.000 2.454 177 A HA 0.968 5.277 4.320 -0.017 0.000 0.302 177 A C -2.066 175.477 177.584 -0.068 0.000 1.079 177 A CA -0.473 51.466 52.037 -0.163 0.000 0.731 177 A CB 1.760 20.657 19.000 -0.172 0.000 1.299 177 A HN 0.873 nan 8.150 nan 0.000 0.413 178 Y N 0.220 120.381 120.300 -0.233 0.000 2.393 178 Y HA 0.637 5.176 4.550 -0.017 0.000 0.341 178 Y C -0.108 175.671 175.900 -0.202 0.000 0.988 178 Y CA -1.672 56.269 58.100 -0.266 0.000 1.078 178 Y CB 1.682 39.941 38.460 -0.334 0.000 1.203 178 Y HN 0.380 nan 8.280 nan 0.000 0.453 179 V N 2.712 122.616 119.914 -0.016 0.000 2.789 179 V HA 0.266 4.376 4.120 -0.017 0.000 0.311 179 V C -0.739 175.333 176.094 -0.037 0.000 1.073 179 V CA -1.087 61.182 62.300 -0.051 0.000 0.921 179 V CB 2.419 34.188 31.823 -0.089 0.000 1.009 179 V HN 0.680 nan 8.190 nan 0.000 0.426 180 D N 2.824 123.208 120.400 -0.027 0.000 2.411 180 D HA 0.162 4.791 4.640 -0.017 0.000 0.225 180 D C 1.017 177.313 176.300 -0.006 0.000 1.156 180 D CA -0.189 53.802 54.000 -0.014 0.000 0.874 180 D CB 1.899 42.695 40.800 -0.007 0.000 1.034 180 D HN 0.462 nan 8.370 nan 0.000 0.502 181 V N 2.272 122.186 119.914 -0.001 0.000 3.141 181 V HA -0.093 4.017 4.120 -0.017 0.000 0.265 181 V C 1.619 177.741 176.094 0.046 0.000 1.126 181 V CA 0.611 62.921 62.300 0.017 0.000 1.141 181 V CB -0.353 31.480 31.823 0.016 0.000 0.743 181 V HN 0.367 nan 8.190 nan 0.000 0.492 182 V N 1.549 121.495 119.914 0.053 0.000 2.436 182 V HA -0.057 4.052 4.120 -0.017 0.000 0.240 182 V C 2.771 178.891 176.094 0.044 0.000 1.040 182 V CA 1.848 64.194 62.300 0.077 0.000 1.052 182 V CB -0.167 31.712 31.823 0.093 0.000 0.707 182 V HN 0.724 nan 8.190 nan 0.000 0.469 183 S N -1.114 114.602 115.700 0.027 0.000 2.561 183 S HA -0.023 4.436 4.470 -0.017 0.000 0.225 183 S C 0.889 175.496 174.600 0.011 0.000 0.977 183 S CA 0.244 58.453 58.200 0.016 0.000 0.926 183 S CB -0.223 62.982 63.200 0.009 0.000 0.769 183 S HN 0.416 nan 8.310 nan 0.000 0.533 184 K N 0.967 121.374 120.400 0.011 0.000 3.162 184 K HA -0.125 4.184 4.320 -0.017 0.000 0.268 184 K C -0.862 175.732 176.600 -0.009 0.000 1.062 184 K CA 0.860 57.148 56.287 0.002 0.000 0.769 184 K CB -2.166 30.340 32.500 0.009 0.000 1.274 184 K HN 0.778 nan 8.250 nan 0.000 0.478 185 E N -0.756 119.435 120.200 -0.014 0.000 2.238 185 E HA 0.463 4.803 4.350 -0.017 0.000 0.267 185 E C -0.628 175.950 176.600 -0.037 0.000 0.887 185 E CA -1.213 55.174 56.400 -0.021 0.000 0.769 185 E CB 2.196 31.889 29.700 -0.013 0.000 1.187 185 E HN -0.057 nan 8.360 nan 0.000 0.416 186 V N 3.037 122.923 119.914 -0.046 0.000 2.334 186 V HA 0.023 4.133 4.120 -0.017 0.000 0.267 186 V C 1.303 177.365 176.094 -0.053 0.000 1.040 186 V CA 0.078 62.338 62.300 -0.068 0.000 0.866 186 V CB 0.587 32.361 31.823 -0.082 0.000 1.019 186 V HN 0.951 nan 8.190 nan 0.000 0.468 187 T N 2.959 117.485 114.554 -0.046 0.000 2.851 187 T HA 0.121 4.461 4.350 -0.017 0.000 0.262 187 T C 0.816 175.469 174.700 -0.078 0.000 1.043 187 T CA 0.557 62.635 62.100 -0.037 0.000 1.140 187 T CB 0.236 69.100 68.868 -0.007 0.000 0.872 187 T HN 0.543 nan 8.240 nan 0.000 0.446 188 R N -0.535 119.871 120.500 -0.156 0.000 2.707 188 R HA 0.696 5.026 4.340 -0.017 0.000 0.272 188 R C -2.101 173.991 176.300 -0.346 0.000 1.011 188 R CA -0.834 55.096 56.100 -0.283 0.000 0.893 188 R CB 2.826 32.843 30.300 -0.472 0.000 1.233 188 R HN 0.048 nan 8.270 nan 0.000 0.464 189 V N 3.305 123.067 119.914 -0.254 0.000 2.509 189 V HA 0.346 4.456 4.120 -0.017 0.000 0.289 189 V C -1.029 174.982 176.094 -0.139 0.000 1.026 189 V CA -0.651 61.567 62.300 -0.137 0.000 0.872 189 V CB 1.580 33.421 31.823 0.031 0.000 1.017 189 V HN 0.514 nan 8.190 nan 0.000 0.436 190 I N 4.007 124.470 120.570 -0.179 0.000 2.336 190 I HA 0.528 4.688 4.170 -0.017 0.000 0.292 190 I C -0.169 175.927 176.117 -0.035 0.000 0.991 190 I CA 0.050 61.285 61.300 -0.109 0.000 1.227 190 I CB 1.520 39.443 38.000 -0.127 0.000 1.366 190 I HN 0.475 nan 8.210 nan 0.000 0.466 191 D N 3.970 124.357 120.400 -0.020 0.000 2.462 191 D HA 0.218 4.847 4.640 -0.017 0.000 0.245 191 D C 0.645 176.957 176.300 0.019 0.000 1.122 191 D CA -0.247 53.748 54.000 -0.008 0.000 0.864 191 D CB 1.434 42.215 40.800 -0.033 0.000 1.098 191 D HN 0.629 nan 8.370 nan 0.000 0.541 192 T N 0.451 115.041 114.554 0.059 0.000 3.122 192 T HA 0.502 4.842 4.350 -0.017 0.000 0.250 192 T C 0.848 175.601 174.700 0.089 0.000 1.067 192 T CA 0.221 62.370 62.100 0.081 0.000 0.966 192 T CB 0.080 69.019 68.868 0.118 0.000 1.002 192 T HN 0.596 nan 8.240 nan 0.000 0.542 193 G N 0.275 109.121 108.800 0.078 0.000 2.402 193 G HA2 0.221 4.171 3.960 -0.017 0.000 0.666 193 G HA3 0.221 4.171 3.960 -0.017 0.000 0.666 193 G C -1.041 173.903 174.900 0.074 0.000 1.402 193 G CA -0.538 44.575 45.100 0.022 0.000 0.920 193 G HN 0.510 nan 8.290 nan 0.000 0.651 194 V N 1.109 121.011 119.914 -0.021 0.000 2.715 194 V HA 0.742 4.852 4.120 -0.017 0.000 0.299 194 V C -0.301 175.767 176.094 -0.044 0.000 1.054 194 V CA -0.056 62.254 62.300 0.016 0.000 1.077 194 V CB 0.624 32.425 31.823 -0.037 0.000 0.972 194 V HN 0.696 nan 8.190 nan 0.000 0.484 195 F N 5.164 125.081 119.950 -0.056 0.000 2.563 195 F HA 0.599 5.116 4.527 -0.017 0.000 0.316 195 F C -2.005 173.773 175.800 -0.036 0.000 1.076 195 F CA -2.237 55.736 58.000 -0.044 0.000 0.921 195 F CB 1.748 40.722 39.000 -0.044 0.000 1.209 195 F HN 0.377 nan 8.300 nan 0.000 0.462 196 P HA 0.149 nan 4.420 nan 0.000 0.267 196 P C -0.849 176.514 177.300 0.105 0.000 1.209 196 P CA -0.140 63.013 63.100 0.088 0.000 0.763 196 P CB 0.554 32.295 31.700 0.067 0.000 0.816 197 V N 7.222 127.179 119.914 0.070 0.000 2.427 197 V HA 0.125 4.235 4.120 -0.017 0.000 0.268 197 V C -1.786 174.373 176.094 0.107 0.000 1.046 197 V CA -1.448 60.896 62.300 0.073 0.000 0.970 197 V CB 0.192 32.037 31.823 0.037 0.000 1.001 197 V HN 0.580 nan 8.190 nan 0.000 0.476 198 P HA -0.022 nan 4.420 nan 0.000 0.261 198 P C 0.476 177.936 177.300 0.266 0.000 1.165 198 P CA 0.488 63.676 63.100 0.147 0.000 0.759 198 P CB 0.704 32.456 31.700 0.086 0.000 0.772 199 A N 3.578 126.516 122.820 0.197 0.000 1.956 199 A HA -0.012 4.297 4.320 -0.017 0.000 0.212 199 A C 0.827 178.597 177.584 0.310 0.000 1.188 199 A CA 0.448 52.612 52.037 0.212 0.000 0.675 199 A CB -0.473 18.595 19.000 0.114 0.000 0.845 199 A HN 0.560 nan 8.150 nan 0.000 0.455 200 E N 0.869 121.201 120.200 0.221 0.000 2.452 200 E HA 0.156 4.495 4.350 -0.017 0.000 0.261 200 E C -0.268 176.495 176.600 0.271 0.000 0.987 200 E CA 0.087 56.594 56.400 0.179 0.000 0.926 200 E CB 0.270 30.033 29.700 0.105 0.000 0.934 200 E HN 0.766 nan 8.360 nan 0.000 0.452 201 H N -0.212 119.027 119.070 0.282 0.000 2.505 201 H HA 0.452 4.998 4.556 -0.017 0.000 0.355 201 H C 0.515 175.949 175.328 0.177 0.000 1.179 201 H CA -0.819 55.365 56.048 0.226 0.000 1.343 201 H CB 1.078 30.989 29.762 0.248 0.000 1.501 201 H HN 0.471 nan 8.280 nan 0.000 0.569 202 G N 1.394 110.366 108.800 0.286 0.000 4.547 202 G HA2 0.057 4.007 3.960 -0.017 0.000 0.301 202 G HA3 0.057 4.007 3.960 -0.017 0.000 0.301 202 G C -0.656 174.241 174.900 -0.005 0.000 1.240 202 G CA -0.689 44.449 45.100 0.063 0.000 0.970 202 G HN 0.644 nan 8.290 nan 0.000 0.574 203 N N 1.746 120.569 118.700 0.204 0.000 2.555 203 N HA 0.098 4.828 4.740 -0.017 0.000 0.244 203 N C 0.769 176.184 175.510 -0.158 0.000 1.114 203 N CA -0.397 52.555 53.050 -0.163 0.000 0.963 203 N CB 0.615 39.011 38.487 -0.152 0.000 1.276 203 N HN 0.556 nan 8.380 nan 0.000 0.510 204 Y N -0.282 120.004 120.300 -0.023 0.000 2.680 204 Y HA -0.039 4.501 4.550 -0.017 0.000 0.303 204 Y C 1.721 177.615 175.900 -0.010 0.000 1.166 204 Y CA 0.299 58.374 58.100 -0.042 0.000 1.344 204 Y CB -0.655 37.743 38.460 -0.104 0.000 1.002 204 Y HN 0.288 nan 8.280 nan 0.000 0.537 205 T N -4.085 110.412 114.554 -0.096 0.000 3.044 205 T HA 0.081 4.420 4.350 -0.017 0.000 0.260 205 T C -0.023 174.668 174.700 -0.016 0.000 1.019 205 T CA -0.278 61.812 62.100 -0.015 0.000 0.921 205 T CB -0.141 68.703 68.868 -0.039 0.000 1.053 205 T HN 0.193 nan 8.240 nan 0.000 0.533 206 D N 3.274 123.666 120.400 -0.013 0.000 2.317 206 D HA 0.225 4.855 4.640 -0.017 0.000 0.252 206 D C -1.101 175.227 176.300 0.046 0.000 1.174 206 D CA -2.486 51.516 54.000 0.003 0.000 0.866 206 D CB 1.984 42.774 40.800 -0.017 0.000 1.127 206 D HN 0.013 nan 8.370 nan 0.000 0.467 207 P HA -0.206 nan 4.420 nan 0.000 0.217 207 P C 1.060 178.391 177.300 0.053 0.000 1.148 207 P CA 0.958 64.078 63.100 0.035 0.000 0.828 207 P CB 0.307 32.018 31.700 0.018 0.000 0.783 208 E N -0.725 119.517 120.200 0.071 0.000 2.265 208 E HA -0.163 4.176 4.350 -0.017 0.000 0.196 208 E C 1.747 178.414 176.600 0.111 0.000 0.996 208 E CA 0.556 57.013 56.400 0.094 0.000 0.832 208 E CB -0.206 29.572 29.700 0.129 0.000 0.756 208 E HN 0.132 nan 8.360 nan 0.000 0.491 209 L N -0.122 121.180 121.223 0.132 0.000 2.362 209 L HA 0.046 4.376 4.340 -0.017 0.000 0.204 209 L C 2.434 179.348 176.870 0.074 0.000 1.060 209 L CA 1.690 56.596 54.840 0.109 0.000 0.827 209 L CB -0.242 41.917 42.059 0.166 0.000 1.027 209 L HN 0.198 nan 8.230 nan 0.000 0.474 210 T N -2.372 112.225 114.554 0.072 0.000 2.857 210 T HA 0.376 4.715 4.350 -0.017 0.000 0.266 210 T C 1.199 175.924 174.700 0.042 0.000 1.048 210 T CA 0.609 62.742 62.100 0.054 0.000 1.139 210 T CB -0.770 68.130 68.868 0.053 0.000 0.874 210 T HN 0.778 nan 8.240 nan 0.000 0.455 211 G N 2.219 111.044 108.800 0.042 0.000 2.760 211 G HA2 -0.033 3.916 3.960 -0.017 0.000 0.246 211 G HA3 -0.033 3.916 3.960 -0.017 0.000 0.246 211 G C -2.780 172.135 174.900 0.026 0.000 1.359 211 G CA -0.566 44.553 45.100 0.033 0.000 0.861 211 G HN 0.585 nan 8.290 nan 0.000 0.541 212 P HA 0.332 nan 4.420 nan 0.000 0.267 212 P C 0.595 177.905 177.300 0.017 0.000 1.205 212 P CA -0.028 63.082 63.100 0.017 0.000 0.765 212 P CB 0.453 32.161 31.700 0.014 0.000 0.828 213 L N 3.560 124.792 121.223 0.015 0.000 2.467 213 L HA 0.175 4.505 4.340 -0.017 0.000 0.270 213 L C 1.571 178.448 176.870 0.011 0.000 1.205 213 L CA -0.329 54.520 54.840 0.014 0.000 0.828 213 L CB -0.043 42.024 42.059 0.014 0.000 1.101 213 L HN 0.343 nan 8.230 nan 0.000 0.479 214 R N 0.470 120.975 120.500 0.010 0.000 2.643 214 R HA 0.109 4.439 4.340 -0.017 0.000 0.270 214 R C 0.580 176.883 176.300 0.006 0.000 1.061 214 R CA 0.258 56.362 56.100 0.007 0.000 1.107 214 R CB 0.297 30.600 30.300 0.005 0.000 0.999 214 R HN 0.722 nan 8.270 nan 0.000 0.460 215 T N -3.803 110.754 114.554 0.005 0.000 3.145 215 T HA 0.004 4.344 4.350 -0.017 0.000 0.281 215 T C 1.200 175.902 174.700 0.003 0.000 1.003 215 T CA -0.068 62.034 62.100 0.004 0.000 0.901 215 T CB 0.343 69.214 68.868 0.004 0.000 1.112 215 T HN 0.678 nan 8.240 nan 0.000 0.535 216 T N -0.772 113.784 114.554 0.002 0.000 3.057 216 T HA 0.169 4.509 4.350 -0.017 0.000 0.254 216 T C 0.701 175.401 174.700 0.000 0.000 1.094 216 T CA -0.140 61.961 62.100 0.001 0.000 1.088 216 T CB -0.291 68.578 68.868 0.001 0.000 0.934 216 T HN 0.413 nan 8.240 nan 0.000 0.497 217 Q N 1.833 121.633 119.800 0.000 0.000 2.307 217 Q HA 0.377 4.707 4.340 -0.017 0.000 0.259 217 Q C -0.830 175.170 176.000 0.000 0.000 0.998 217 Q CA -0.285 55.518 55.803 -0.000 0.000 0.923 217 Q CB 0.876 29.614 28.738 -0.000 0.000 1.196 217 Q HN 0.154 nan 8.270 nan 0.000 0.416 218 K N 3.403 123.803 120.400 -0.000 0.000 2.118 218 K HA 0.333 4.643 4.320 -0.017 0.000 0.264 218 K C -2.144 174.456 176.600 0.001 0.000 1.000 218 K CA -1.604 54.684 56.287 0.000 0.000 0.929 218 K CB 0.278 32.778 32.500 -0.000 0.000 1.021 218 K HN 0.395 nan 8.250 nan 0.000 0.463 219 P HA 0.176 nan 4.420 nan 0.000 0.271 219 P C -0.844 176.459 177.300 0.004 0.000 1.218 219 P CA -0.261 62.841 63.100 0.004 0.000 0.780 219 P CB 0.566 32.269 31.700 0.005 0.000 0.901 220 I N 1.178 121.752 120.570 0.005 0.000 2.382 220 I HA 0.166 4.326 4.170 -0.017 0.000 0.285 220 I C 0.558 176.681 176.117 0.010 0.000 1.007 220 I CA -0.137 61.167 61.300 0.007 0.000 1.142 220 I CB 1.432 39.436 38.000 0.007 0.000 1.289 220 I HN 0.234 nan 8.210 nan 0.000 0.453 221 S N 7.311 123.018 115.700 0.011 0.000 2.422 221 S HA 0.650 5.110 4.470 -0.017 0.000 0.298 221 S C -0.394 174.218 174.600 0.019 0.000 1.118 221 S CA -0.443 57.765 58.200 0.014 0.000 1.083 221 S CB 0.070 63.278 63.200 0.012 0.000 0.971 221 S HN 0.418 nan 8.310 nan 0.000 0.478 222 I N 5.524 126.107 120.570 0.021 0.000 2.382 222 I HA 0.357 4.517 4.170 -0.017 0.000 0.285 222 I C 0.219 176.354 176.117 0.030 0.000 1.007 222 I CA -0.377 60.941 61.300 0.031 0.000 1.142 222 I CB 1.637 39.659 38.000 0.037 0.000 1.289 222 I HN 0.662 nan 8.210 nan 0.000 0.453 223 T N 1.901 116.474 114.554 0.033 0.000 2.883 223 T HA 0.527 4.866 4.350 -0.017 0.000 0.296 223 T C -0.779 173.943 174.700 0.036 0.000 1.117 223 T CA -0.917 61.201 62.100 0.030 0.000 1.006 223 T CB 2.282 71.163 68.868 0.022 0.000 1.191 223 T HN 0.477 nan 8.240 nan 0.000 0.508 224 Q N 1.020 120.838 119.800 0.030 0.000 2.490 224 Q HA 0.276 4.606 4.340 -0.017 0.000 0.255 224 Q C -2.182 173.827 176.000 0.015 0.000 0.997 224 Q CA -1.934 53.886 55.803 0.029 0.000 0.709 224 Q CB 1.963 30.721 28.738 0.032 0.000 1.255 224 Q HN 0.493 nan 8.270 nan 0.000 0.486 225 P HA -0.218 nan 4.420 nan 0.000 0.216 225 P C 0.118 177.420 177.300 0.003 0.000 1.154 225 P CA 1.469 64.574 63.100 0.009 0.000 0.865 225 P CB 0.358 32.064 31.700 0.011 0.000 0.789 226 E N -0.922 119.279 120.200 0.002 0.000 2.451 226 E HA 0.373 4.712 4.350 -0.017 0.000 0.194 226 E C 0.801 177.389 176.600 -0.019 0.000 1.027 226 E CA -0.009 56.388 56.400 -0.006 0.000 0.914 226 E CB 0.003 29.702 29.700 -0.002 0.000 1.054 226 E HN 0.152 nan 8.360 nan 0.000 0.461 227 G N 2.909 111.694 108.800 -0.023 0.000 2.796 227 G HA2 -0.197 3.753 3.960 -0.017 0.000 0.571 227 G HA3 -0.197 3.753 3.960 -0.017 0.000 0.571 227 G C -2.684 172.169 174.900 -0.078 0.000 1.370 227 G CA -0.880 44.187 45.100 -0.055 0.000 0.856 227 G HN 0.036 nan 8.290 nan 0.000 0.538 228 P HA 0.368 nan 4.420 nan 0.000 0.274 228 P C 0.581 177.768 177.300 -0.188 0.000 1.246 228 P CA 0.100 63.048 63.100 -0.254 0.000 0.795 228 P CB 1.266 32.518 31.700 -0.746 0.000 1.006 229 S N -0.231 115.484 115.700 0.025 0.000 2.528 229 S HA 0.118 4.578 4.470 -0.017 0.000 0.219 229 S C 0.693 175.452 174.600 0.264 0.000 0.985 229 S CA 0.148 58.441 58.200 0.154 0.000 0.914 229 S CB -0.714 62.645 63.200 0.266 0.000 0.776 229 S HN 0.564 nan 8.310 nan 0.000 0.526 230 F N 1.903 122.049 119.950 0.327 0.000 2.440 230 F HA 0.767 5.283 4.527 -0.018 0.000 0.328 230 F C 0.132 176.016 175.800 0.141 0.000 1.070 230 F CA -1.125 57.050 58.000 0.291 0.000 1.011 230 F CB 0.396 39.546 39.000 0.251 0.000 1.226 230 F HN -0.139 nan 8.300 nan 0.000 0.491 231 T N -0.379 114.372 114.554 0.328 0.000 2.912 231 T HA 0.768 5.107 4.350 -0.017 0.000 0.288 231 T C -1.194 173.667 174.700 0.269 0.000 1.030 231 T CA -0.816 61.402 62.100 0.197 0.000 1.020 231 T CB 1.581 70.528 68.868 0.133 0.000 1.056 231 T HN 0.692 nan 8.240 nan 0.000 0.480 232 V N 2.861 122.899 119.914 0.207 0.000 2.444 232 V HA 0.711 4.820 4.120 -0.017 0.000 0.294 232 V C 0.233 176.418 176.094 0.152 0.000 1.022 232 V CA -0.676 61.736 62.300 0.185 0.000 0.850 232 V CB 1.353 33.288 31.823 0.187 0.000 0.992 232 V HN 1.307 nan 8.190 nan 0.000 0.426 233 T N 0.049 114.711 114.554 0.180 0.000 2.906 233 T HA 0.686 5.026 4.350 -0.017 0.000 0.295 233 T C 0.753 175.548 174.700 0.158 0.000 1.061 233 T CA -0.032 62.162 62.100 0.157 0.000 1.000 233 T CB 1.783 70.747 68.868 0.160 0.000 1.103 233 T HN 1.815 nan 8.240 nan 0.000 0.486 234 G N 0.115 108.976 108.800 0.103 0.000 2.179 234 G HA2 0.121 4.071 3.960 -0.017 0.000 0.257 234 G HA3 0.121 4.071 3.960 -0.017 0.000 0.257 234 G C 1.323 176.280 174.900 0.094 0.000 1.010 234 G CA 0.904 46.056 45.100 0.087 0.000 0.736 234 G HN 2.422 nan 8.290 nan 0.000 0.513 235 G N -0.018 108.837 108.800 0.092 0.000 2.458 235 G HA2 -0.287 3.663 3.960 -0.017 0.000 0.237 235 G HA3 -0.287 3.663 3.960 -0.017 0.000 0.237 235 G C 0.903 175.856 174.900 0.089 0.000 1.113 235 G CA 1.357 46.506 45.100 0.082 0.000 0.655 235 G HN 2.223 nan 8.290 nan 0.000 0.513 236 N N -0.140 118.625 118.700 0.108 0.000 2.217 236 N HA 0.184 4.914 4.740 -0.017 0.000 0.239 236 N C -0.280 175.295 175.510 0.108 0.000 1.330 236 N CA 0.311 53.417 53.050 0.093 0.000 0.838 236 N CB -0.196 38.343 38.487 0.086 0.000 1.287 236 N HN 0.557 nan 8.380 nan 0.000 0.498 237 H N 1.245 120.350 119.070 0.057 0.000 2.604 237 H HA 0.475 5.021 4.556 -0.017 0.000 0.306 237 H C -0.491 174.878 175.328 0.068 0.000 1.075 237 H CA -0.317 55.763 56.048 0.054 0.000 1.357 237 H CB 0.575 30.372 29.762 0.059 0.000 1.426 237 H HN 0.000 nan 8.280 nan 0.000 0.470 238 I N 4.733 125.029 120.570 -0.457 0.000 2.412 238 I HA 0.270 4.429 4.170 -0.017 0.000 0.296 238 I C -0.144 175.820 176.117 -0.255 0.000 0.987 238 I CA -0.555 60.602 61.300 -0.238 0.000 1.180 238 I CB 1.617 39.500 38.000 -0.196 0.000 1.340 238 I HN 0.715 nan 8.210 nan 0.000 0.455 239 E N 5.196 125.415 120.200 0.032 0.000 2.244 239 E HA 0.318 4.658 4.350 -0.017 0.000 0.260 239 E C -1.822 174.964 176.600 0.310 0.000 0.884 239 E CA -0.564 55.914 56.400 0.129 0.000 0.777 239 E CB 2.541 32.321 29.700 0.133 0.000 1.197 239 E HN 0.553 nan 8.360 nan 0.000 0.416 240 W N 4.080 125.443 121.300 0.104 0.000 3.326 240 W HA 0.169 4.819 4.660 -0.017 0.000 0.333 240 W C -0.602 176.016 176.519 0.165 0.000 1.108 240 W CA -0.395 57.042 57.345 0.153 0.000 1.245 240 W CB 0.975 30.525 29.460 0.151 0.000 1.331 240 W HN 0.341 nan 8.180 nan 0.000 0.464 241 E N 5.856 125.713 120.200 -0.572 0.000 2.199 241 E HA -0.321 4.019 4.350 -0.017 0.000 0.208 241 E C 0.525 176.828 176.600 -0.494 0.000 1.310 241 E CA 1.859 57.847 56.400 -0.686 0.000 0.709 241 E CB -1.044 27.851 29.700 -1.341 0.000 1.127 241 E HN 0.899 nan 8.360 nan 0.000 0.354 242 K N -3.911 116.238 120.400 -0.418 0.000 3.609 242 K HA -0.243 4.067 4.320 -0.017 0.000 0.277 242 K C 0.167 176.353 176.600 -0.690 0.000 1.196 242 K CA 1.711 57.597 56.287 -0.670 0.000 1.022 242 K CB -1.408 30.392 32.500 -1.167 0.000 1.292 242 K HN 0.258 nan 8.250 nan 0.000 0.484 243 W N 1.638 122.752 121.300 -0.311 0.000 2.237 243 W HA 0.445 5.095 4.660 -0.016 0.000 0.335 243 W C 0.674 177.176 176.519 -0.030 0.000 1.230 243 W CA -0.111 57.189 57.345 -0.075 0.000 1.253 243 W CB 1.440 30.997 29.460 0.163 0.000 1.129 243 W HN -0.016 nan 8.180 nan 0.000 0.590 244 S N 3.570 119.442 115.700 0.286 0.000 2.548 244 S HA 0.838 5.297 4.470 -0.017 0.000 0.276 244 S C -1.191 173.452 174.600 0.072 0.000 1.129 244 S CA -0.727 57.545 58.200 0.119 0.000 0.931 244 S CB 0.189 63.479 63.200 0.150 0.000 1.068 244 S HN 0.568 nan 8.310 nan 0.000 0.480 245 L N 1.034 122.189 121.223 -0.114 0.000 2.947 245 L HA 0.711 5.041 4.340 -0.017 0.000 0.267 245 L C -2.102 174.672 176.870 -0.160 0.000 1.004 245 L CA -1.033 53.742 54.840 -0.109 0.000 0.937 245 L CB 1.597 43.580 42.059 -0.126 0.000 1.496 245 L HN 0.399 nan 8.230 nan 0.000 0.409 246 D N 1.556 121.918 120.400 -0.064 0.000 2.375 246 D HA 0.502 5.132 4.640 -0.017 0.000 0.247 246 D C -0.765 175.541 176.300 0.010 0.000 1.061 246 D CA -0.301 53.715 54.000 0.027 0.000 0.834 246 D CB 3.247 44.101 40.800 0.091 0.000 1.247 246 D HN 0.377 nan 8.370 nan 0.000 0.489 247 V N 2.120 122.039 119.914 0.007 0.000 2.334 247 V HA 0.487 4.597 4.120 -0.017 0.000 0.267 247 V C 0.922 177.062 176.094 0.077 0.000 1.040 247 V CA -0.451 61.836 62.300 -0.021 0.000 0.866 247 V CB 1.102 32.889 31.823 -0.061 0.000 1.019 247 V HN 0.599 nan 8.190 nan 0.000 0.468 248 G N 3.062 111.931 108.800 0.115 0.000 2.521 248 G HA2 0.715 4.664 3.960 -0.017 0.000 0.323 248 G HA3 0.715 4.664 3.960 -0.017 0.000 0.323 248 G C -1.553 173.427 174.900 0.134 0.000 1.211 248 G CA -0.482 44.731 45.100 0.187 0.000 0.979 248 G HN 0.471 nan 8.290 nan 0.000 0.490 249 F N -0.061 119.861 119.950 -0.047 0.000 2.588 249 F HA 0.515 5.032 4.527 -0.017 0.000 0.314 249 F C -1.438 174.302 175.800 -0.099 0.000 1.134 249 F CA -0.957 56.966 58.000 -0.130 0.000 0.961 249 F CB 2.582 41.492 39.000 -0.149 0.000 1.239 249 F HN 0.517 nan 8.300 nan 0.000 0.448 250 D N 3.753 123.723 120.400 -0.717 0.000 2.646 250 D HA 0.308 4.937 4.640 -0.017 0.000 0.245 250 D C 0.156 176.068 176.300 -0.648 0.000 1.099 250 D CA -0.549 53.188 54.000 -0.439 0.000 0.849 250 D CB 2.428 43.105 40.800 -0.205 0.000 1.448 250 D HN 0.375 nan 8.370 nan 0.000 0.489 251 V N 4.223 123.953 119.914 -0.306 0.000 2.594 251 V HA -0.116 3.993 4.120 -0.017 0.000 0.253 251 V C 2.006 178.026 176.094 -0.125 0.000 1.069 251 V CA 2.098 64.273 62.300 -0.208 0.000 1.082 251 V CB -0.388 31.370 31.823 -0.108 0.000 0.680 251 V HN 0.618 nan 8.190 nan 0.000 0.469 252 R N -0.432 120.052 120.500 -0.026 0.000 2.055 252 R HA -0.008 4.322 4.340 -0.017 0.000 0.221 252 R C 2.169 178.412 176.300 -0.095 0.000 1.154 252 R CA 1.433 57.513 56.100 -0.032 0.000 0.975 252 R CB -0.164 30.078 30.300 -0.097 0.000 0.869 252 R HN 0.567 nan 8.270 nan 0.000 0.437 253 E N -0.395 119.729 120.200 -0.128 0.000 2.371 253 E HA 0.139 4.479 4.350 -0.017 0.000 0.194 253 E C 0.744 177.176 176.600 -0.279 0.000 1.012 253 E CA 0.348 56.677 56.400 -0.119 0.000 0.860 253 E CB 0.546 30.219 29.700 -0.044 0.000 0.811 253 E HN 0.571 nan 8.360 nan 0.000 0.502 254 G N 0.906 109.340 108.800 -0.611 0.000 2.496 254 G HA2 -0.299 3.650 3.960 -0.017 0.000 0.243 254 G HA3 -0.299 3.650 3.960 -0.017 0.000 0.243 254 G C -0.088 174.237 174.900 -0.958 0.000 1.176 254 G CA -0.332 44.105 45.100 -1.104 0.000 0.940 254 G HN 0.101 nan 8.290 nan 0.000 0.573 255 V N 0.810 120.330 119.914 -0.658 0.000 2.585 255 V HA 0.433 4.542 4.120 -0.017 0.000 0.296 255 V C 0.753 176.761 176.094 -0.144 0.000 1.035 255 V CA 0.138 62.334 62.300 -0.172 0.000 1.084 255 V CB 0.988 32.879 31.823 0.113 0.000 0.953 255 V HN 0.882 nan 8.190 nan 0.000 0.483 256 V N 6.681 126.449 119.914 -0.243 0.000 2.540 256 V HA 0.465 4.574 4.120 -0.017 0.000 0.302 256 V C -0.198 175.546 176.094 -0.583 0.000 1.035 256 V CA -0.644 61.409 62.300 -0.412 0.000 0.873 256 V CB 1.937 33.524 31.823 -0.394 0.000 0.992 256 V HN 0.602 nan 8.190 nan 0.000 0.428 257 L N 5.010 125.783 121.223 -0.750 0.000 2.295 257 L HA 0.609 4.939 4.340 -0.017 0.000 0.285 257 L C -0.436 176.042 176.870 -0.653 0.000 1.035 257 L CA -0.534 53.906 54.840 -0.666 0.000 0.806 257 L CB 0.978 42.574 42.059 -0.771 0.000 1.214 257 L HN 0.623 nan 8.230 nan 0.000 0.426 258 H N 3.745 122.643 119.070 -0.287 0.000 2.569 258 H HA 0.267 4.812 4.556 -0.017 0.000 0.357 258 H C -0.171 174.945 175.328 -0.353 0.000 1.153 258 H CA -0.733 55.119 56.048 -0.328 0.000 1.193 258 H CB 1.836 31.360 29.762 -0.397 0.000 1.602 258 H HN 0.552 nan 8.280 nan 0.000 0.523 259 N N 1.472 120.032 118.700 -0.233 0.000 2.705 259 N HA -0.202 4.528 4.740 -0.017 0.000 0.255 259 N C -0.292 175.157 175.510 -0.101 0.000 1.008 259 N CA 0.490 53.414 53.050 -0.210 0.000 0.742 259 N CB -1.275 37.035 38.487 -0.295 0.000 0.906 259 N HN 0.556 nan 8.380 nan 0.000 0.541 260 I N 0.520 121.036 120.570 -0.090 0.000 2.505 260 I HA 0.217 4.376 4.170 -0.017 0.000 0.287 260 I C 1.019 177.202 176.117 0.111 0.000 1.104 260 I CA 0.231 61.541 61.300 0.018 0.000 1.387 260 I CB 0.453 38.439 38.000 -0.024 0.000 1.404 260 I HN 0.332 nan 8.210 nan 0.000 0.528 261 A N 6.998 129.952 122.820 0.223 0.000 2.515 261 A HA 0.787 5.096 4.320 -0.017 0.000 0.296 261 A C -1.545 176.206 177.584 0.278 0.000 1.094 261 A CA -0.447 51.714 52.037 0.206 0.000 0.718 261 A CB 1.573 20.641 19.000 0.112 0.000 1.307 261 A HN 0.520 nan 8.150 nan 0.000 0.408 262 F N 0.583 120.551 119.950 0.029 0.000 2.518 262 F HA 0.661 5.177 4.527 -0.017 0.000 0.323 262 F C 0.194 176.008 175.800 0.023 0.000 1.129 262 F CA -0.637 57.307 58.000 -0.094 0.000 0.920 262 F CB 1.787 40.671 39.000 -0.194 0.000 1.160 262 F HN 0.567 nan 8.300 nan 0.000 0.440 263 R N 4.186 124.590 120.500 -0.160 0.000 2.272 263 R HA 0.182 4.511 4.340 -0.017 0.000 0.334 263 R C -1.305 175.086 176.300 0.150 0.000 1.117 263 R CA -0.039 56.053 56.100 -0.014 0.000 0.966 263 R CB -0.380 29.851 30.300 -0.114 0.000 1.049 263 R HN 0.508 nan 8.270 nan 0.000 0.477 264 D N 3.997 124.576 120.400 0.298 0.000 2.443 264 D HA 0.392 5.021 4.640 -0.017 0.000 0.221 264 D C 0.800 177.194 176.300 0.158 0.000 1.097 264 D CA 0.977 55.183 54.000 0.343 0.000 0.865 264 D CB 0.736 41.752 40.800 0.360 0.000 1.034 264 D HN 0.688 nan 8.370 nan 0.000 0.511 265 G N 4.902 113.771 108.800 0.115 0.000 2.557 265 G HA2 -0.333 3.616 3.960 -0.017 0.000 0.292 265 G HA3 -0.333 3.616 3.960 -0.017 0.000 0.292 265 G C 0.730 175.654 174.900 0.040 0.000 1.162 265 G CA 0.529 45.665 45.100 0.061 0.000 0.964 265 G HN 0.588 nan 8.290 nan 0.000 0.541 266 D N 1.354 121.772 120.400 0.031 0.000 2.367 266 D HA 0.053 4.682 4.640 -0.017 0.000 0.207 266 D C 1.256 177.569 176.300 0.022 0.000 1.034 266 D CA 0.665 54.677 54.000 0.020 0.000 0.861 266 D CB 0.056 40.864 40.800 0.013 0.000 0.943 266 D HN 0.909 nan 8.370 nan 0.000 0.515 267 R N 0.593 121.111 120.500 0.030 0.000 2.407 267 R HA 0.500 4.829 4.340 -0.017 0.000 0.303 267 R C -0.684 175.646 176.300 0.049 0.000 0.981 267 R CA -0.975 55.141 56.100 0.027 0.000 0.905 267 R CB 1.525 31.830 30.300 0.008 0.000 1.099 267 R HN -0.084 nan 8.270 nan 0.000 0.459 268 L N 3.587 124.835 121.223 0.042 0.000 2.295 268 L HA 0.298 4.628 4.340 -0.017 0.000 0.288 268 L C -0.548 176.361 176.870 0.066 0.000 1.079 268 L CA -0.229 54.647 54.840 0.060 0.000 0.830 268 L CB 0.429 42.515 42.059 0.044 0.000 1.200 268 L HN 0.612 nan 8.230 nan 0.000 0.438 269 R N 7.156 127.729 120.500 0.122 0.000 2.229 269 R HA 0.449 4.779 4.340 -0.017 0.000 0.332 269 R C -2.332 174.067 176.300 0.165 0.000 0.989 269 R CA -1.748 54.432 56.100 0.133 0.000 0.842 269 R CB 0.743 31.137 30.300 0.157 0.000 1.119 269 R HN 0.496 nan 8.270 nan 0.000 0.456 270 P HA 0.108 nan 4.420 nan 0.000 0.274 270 P C -0.118 177.183 177.300 0.002 0.000 1.231 270 P CA -0.010 63.089 63.100 -0.002 0.000 0.790 270 P CB 1.306 32.928 31.700 -0.129 0.000 0.951 271 I N 0.645 121.162 120.570 -0.088 0.000 3.878 271 I HA 0.247 4.407 4.170 -0.017 0.000 0.273 271 I C 0.708 176.695 176.117 -0.218 0.000 1.165 271 I CA 0.241 61.391 61.300 -0.251 0.000 1.360 271 I CB 0.385 38.126 38.000 -0.431 0.000 1.539 271 I HN 0.136 nan 8.210 nan 0.000 0.447 272 I N 1.411 121.884 120.570 -0.162 0.000 2.478 272 I HA 0.168 4.327 4.170 -0.017 0.000 0.287 272 I C 0.634 176.668 176.117 -0.139 0.000 1.042 272 I CA -0.249 60.965 61.300 -0.144 0.000 1.067 272 I CB 2.097 40.012 38.000 -0.141 0.000 1.233 272 I HN 0.111 nan 8.210 nan 0.000 0.431 273 N N 5.396 124.029 118.700 -0.112 0.000 2.171 273 N HA 0.011 4.741 4.740 -0.017 0.000 0.184 273 N C 0.536 175.997 175.510 -0.082 0.000 1.021 273 N CA 1.013 54.016 53.050 -0.078 0.000 0.854 273 N CB 0.555 39.084 38.487 0.071 0.000 0.994 273 N HN 0.555 nan 8.380 nan 0.000 0.426 274 R N -0.202 120.231 120.500 -0.112 0.000 2.535 274 R HA 0.493 4.823 4.340 -0.017 0.000 0.274 274 R C -2.103 174.044 176.300 -0.254 0.000 1.090 274 R CA -0.520 55.466 56.100 -0.189 0.000 0.930 274 R CB 1.862 32.109 30.300 -0.089 0.000 1.223 274 R HN 0.054 nan 8.270 nan 0.000 0.441 275 A N 2.306 124.893 122.820 -0.389 0.000 2.359 275 A HA 0.734 5.044 4.320 -0.017 0.000 0.303 275 A C -1.107 176.225 177.584 -0.419 0.000 1.066 275 A CA -0.415 51.388 52.037 -0.391 0.000 0.730 275 A CB 1.588 20.246 19.000 -0.570 0.000 1.211 275 A HN 0.833 nan 8.150 nan 0.000 0.439 276 S N 1.248 116.881 115.700 -0.113 0.000 2.615 276 S HA 0.675 5.135 4.470 -0.017 0.000 0.269 276 S C -1.175 173.535 174.600 0.183 0.000 1.161 276 S CA -0.734 57.489 58.200 0.038 0.000 0.817 276 S CB 0.849 64.002 63.200 -0.079 0.000 1.131 276 S HN 0.578 nan 8.310 nan 0.000 0.467 277 I N 2.162 122.865 120.570 0.222 0.000 2.287 277 I HA 0.411 4.570 4.170 -0.017 0.000 0.290 277 I C 1.330 177.549 176.117 0.170 0.000 1.069 277 I CA -0.535 60.894 61.300 0.214 0.000 1.237 277 I CB 0.221 38.445 38.000 0.375 0.000 1.418 277 I HN 0.988 nan 8.210 nan 0.000 0.481 278 A N 5.094 127.993 122.820 0.133 0.000 2.167 278 A HA 0.093 4.402 4.320 -0.017 0.000 0.214 278 A C 0.746 178.407 177.584 0.128 0.000 1.151 278 A CA 0.930 53.070 52.037 0.171 0.000 0.735 278 A CB 0.067 19.181 19.000 0.190 0.000 0.802 278 A HN 0.669 nan 8.150 nan 0.000 0.467 279 E N -1.657 118.567 120.200 0.040 0.000 2.392 279 E HA 0.545 4.885 4.350 -0.017 0.000 0.281 279 E C -1.077 175.533 176.600 0.016 0.000 1.088 279 E CA -0.350 56.037 56.400 -0.022 0.000 0.850 279 E CB 0.866 30.396 29.700 -0.282 0.000 1.267 279 E HN 0.495 nan 8.360 nan 0.000 0.438 280 M N 2.190 121.811 119.600 0.035 0.000 2.294 280 M HA 0.699 5.169 4.480 -0.017 0.000 0.280 280 M C -1.899 174.321 176.300 -0.134 0.000 1.085 280 M CA -0.898 54.295 55.300 -0.178 0.000 0.969 280 M CB 1.907 34.290 32.600 -0.362 0.000 1.770 280 M HN 0.303 nan 8.290 nan 0.000 0.485 281 V N 3.610 123.373 119.914 -0.252 0.000 2.823 281 V HA 0.846 4.956 4.120 -0.017 0.000 0.312 281 V C -1.432 174.445 176.094 -0.361 0.000 1.072 281 V CA -0.502 61.547 62.300 -0.418 0.000 0.937 281 V CB 2.559 33.930 31.823 -0.753 0.000 1.013 281 V HN 0.818 nan 8.190 nan 0.000 0.430 282 V N 7.770 127.513 119.914 -0.285 0.000 2.276 282 V HA 0.418 4.528 4.120 -0.017 0.000 0.268 282 V C -2.444 173.492 176.094 -0.264 0.000 1.032 282 V CA -1.333 60.824 62.300 -0.237 0.000 0.810 282 V CB 1.243 33.067 31.823 0.002 0.000 1.060 282 V HN 0.820 nan 8.190 nan 0.000 0.446 283 P HA 0.334 nan 4.420 nan 0.000 0.285 283 P C -1.294 175.826 177.300 -0.301 0.000 1.259 283 P CA -0.289 62.656 63.100 -0.259 0.000 0.794 283 P CB 1.091 32.644 31.700 -0.246 0.000 0.940 284 Y N 0.766 120.922 120.300 -0.239 0.000 2.334 284 Y HA 0.479 5.018 4.550 -0.017 0.000 0.328 284 Y C 1.724 177.551 175.900 -0.122 0.000 1.130 284 Y CA 0.243 58.239 58.100 -0.173 0.000 1.163 284 Y CB 1.424 39.710 38.460 -0.290 0.000 1.207 284 Y HN 0.481 nan 8.280 nan 0.000 0.471 285 G N 1.191 110.011 108.800 0.033 0.000 3.820 285 G HA2 0.031 3.981 3.960 -0.017 0.000 0.293 285 G HA3 0.031 3.981 3.960 -0.017 0.000 0.293 285 G C -0.804 174.119 174.900 0.039 0.000 1.152 285 G CA -0.181 44.944 45.100 0.043 0.000 0.921 285 G HN 0.504 nan 8.290 nan 0.000 0.544 286 D N 1.087 121.493 120.400 0.010 0.000 2.329 286 D HA 0.276 4.905 4.640 -0.017 0.000 0.232 286 D C -1.133 175.132 176.300 -0.059 0.000 1.088 286 D CA -2.405 51.568 54.000 -0.045 0.000 0.835 286 D CB 2.365 43.134 40.800 -0.050 0.000 1.078 286 D HN 0.031 nan 8.370 nan 0.000 0.495 287 P HA -0.035 nan 4.420 nan 0.000 0.242 287 P C 0.395 177.676 177.300 -0.032 0.000 1.197 287 P CA -0.013 63.068 63.100 -0.032 0.000 0.765 287 P CB 0.171 31.863 31.700 -0.013 0.000 0.936 288 S N 2.352 118.025 115.700 -0.046 0.000 2.549 288 S HA 0.085 4.545 4.470 -0.017 0.000 0.286 288 S C -0.925 173.669 174.600 -0.010 0.000 1.314 288 S CA -1.051 57.133 58.200 -0.026 0.000 1.062 288 S CB 0.208 63.375 63.200 -0.055 0.000 0.865 288 S HN 0.032 nan 8.310 nan 0.000 0.498 289 P HA -0.080 nan 4.420 nan 0.000 0.225 289 P C 1.316 178.745 177.300 0.215 0.000 1.148 289 P CA 0.664 63.835 63.100 0.118 0.000 0.779 289 P CB -0.057 31.717 31.700 0.123 0.000 0.780 290 I N -0.212 120.438 120.570 0.133 0.000 2.546 290 I HA -0.069 4.090 4.170 -0.017 0.000 0.255 290 I C 2.066 178.284 176.117 0.169 0.000 1.163 290 I CA 1.228 62.647 61.300 0.199 0.000 1.457 290 I CB -0.968 37.051 38.000 0.031 0.000 1.092 290 I HN 0.042 nan 8.210 nan 0.000 0.434 291 R N -0.522 119.871 120.500 -0.178 0.000 2.541 291 R HA 0.099 4.428 4.340 -0.017 0.000 0.332 291 R C 1.921 177.752 176.300 -0.781 0.000 0.951 291 R CA 0.481 56.182 56.100 -0.665 0.000 1.136 291 R CB 0.296 30.338 30.300 -0.430 0.000 1.449 291 R HN 0.261 nan 8.270 nan 0.000 0.531 292 S N 0.835 116.279 115.700 -0.426 0.000 2.500 292 S HA -0.118 4.342 4.470 -0.017 0.000 0.239 292 S C 1.399 175.783 174.600 -0.360 0.000 0.989 292 S CA 0.475 58.501 58.200 -0.290 0.000 0.951 292 S CB -0.390 62.736 63.200 -0.124 0.000 0.759 292 S HN 0.615 nan 8.310 nan 0.000 0.523 293 W N 0.555 121.643 121.300 -0.354 0.000 3.197 293 W HA 0.375 5.024 4.660 -0.017 0.000 0.274 293 W C -0.006 176.417 176.519 -0.160 0.000 1.297 293 W CA -0.745 56.264 57.345 -0.560 0.000 1.662 293 W CB -0.670 28.361 29.460 -0.715 0.000 1.106 293 W HN 0.252 nan 8.180 nan 0.000 0.663 294 Q N 2.770 122.038 119.800 -0.887 0.000 2.262 294 Q HA 0.098 4.428 4.340 -0.017 0.000 0.272 294 Q C -0.483 175.169 176.000 -0.580 0.000 1.076 294 Q CA 0.773 55.994 55.803 -0.970 0.000 0.905 294 Q CB 0.231 28.169 28.738 -1.333 0.000 1.182 294 Q HN 0.060 nan 8.270 nan 0.000 0.390 295 N N 3.511 121.832 118.700 -0.632 0.000 2.599 295 N HA 0.138 4.868 4.740 -0.017 0.000 0.283 295 N C -1.745 173.545 175.510 -0.367 0.000 1.160 295 N CA -0.296 52.520 53.050 -0.391 0.000 0.869 295 N CB 1.063 39.499 38.487 -0.085 0.000 1.448 295 N HN 0.443 nan 8.380 nan 0.000 0.535 296 Y N 1.230 121.557 120.300 0.045 0.000 2.434 296 Y HA 0.388 4.927 4.550 -0.017 0.000 0.341 296 Y C 0.072 176.035 175.900 0.104 0.000 0.965 296 Y CA -0.846 57.369 58.100 0.192 0.000 1.205 296 Y CB 0.482 39.039 38.460 0.162 0.000 1.121 296 Y HN 0.347 nan 8.280 nan 0.000 0.507 297 F N 3.234 123.400 119.950 0.361 0.000 2.515 297 F HA 0.126 4.643 4.527 -0.017 0.000 0.353 297 F C 1.053 177.066 175.800 0.355 0.000 1.213 297 F CA -0.457 57.694 58.000 0.252 0.000 1.194 297 F CB 0.045 39.144 39.000 0.165 0.000 1.488 297 F HN 0.575 nan 8.300 nan 0.000 0.619 298 D N 0.755 121.408 120.400 0.421 0.000 2.149 298 D HA -0.150 4.479 4.640 -0.017 0.000 0.198 298 D C 2.083 178.627 176.300 0.408 0.000 0.990 298 D CA 1.644 55.905 54.000 0.434 0.000 0.839 298 D CB 0.012 40.997 40.800 0.308 0.000 0.948 298 D HN 0.381 nan 8.370 nan 0.000 0.460 299 T N -0.403 114.322 114.554 0.285 0.000 2.735 299 T HA -0.008 4.331 4.350 -0.017 0.000 0.256 299 T C 1.980 176.747 174.700 0.110 0.000 1.042 299 T CA 1.392 63.603 62.100 0.185 0.000 1.147 299 T CB -0.633 68.309 68.868 0.124 0.000 0.865 299 T HN 0.224 nan 8.240 nan 0.000 0.421 300 G N 0.891 109.753 108.800 0.102 0.000 2.408 300 G HA2 -0.131 3.819 3.960 -0.017 0.000 0.217 300 G HA3 -0.131 3.819 3.960 -0.017 0.000 0.217 300 G C 1.458 176.352 174.900 -0.009 0.000 1.150 300 G CA 0.591 45.658 45.100 -0.055 0.000 0.776 300 G HN 0.501 nan 8.290 nan 0.000 0.542 301 E N -1.132 119.153 120.200 0.142 0.000 2.127 301 E HA 0.085 4.424 4.350 -0.017 0.000 0.191 301 E C 1.832 178.427 176.600 -0.008 0.000 0.964 301 E CA 0.361 56.782 56.400 0.035 0.000 0.832 301 E CB 0.069 29.799 29.700 0.049 0.000 0.790 301 E HN 0.565 nan 8.360 nan 0.000 0.465 302 Y N 0.036 120.501 120.300 0.275 0.000 2.509 302 Y HA 0.271 4.811 4.550 -0.017 0.000 0.270 302 Y C 0.054 176.182 175.900 0.379 0.000 1.103 302 Y CA 0.014 58.343 58.100 0.382 0.000 1.278 302 Y CB 0.526 39.246 38.460 0.434 0.000 1.087 302 Y HN -0.146 nan 8.280 nan 0.000 0.542 303 L N 0.778 122.224 121.223 0.373 0.000 3.133 303 L HA -0.206 4.124 4.340 -0.017 0.000 0.697 303 L C 1.140 178.166 176.870 0.260 0.000 1.093 303 L CA 0.013 54.983 54.840 0.217 0.000 1.305 303 L CB -1.681 40.461 42.059 0.139 0.000 1.841 303 L HN 0.182 nan 8.230 nan 0.000 0.896 304 V N -0.527 119.552 119.914 0.276 0.000 2.453 304 V HA -0.160 3.950 4.120 -0.017 0.000 0.252 304 V C 2.189 178.450 176.094 0.278 0.000 1.068 304 V CA 2.323 64.829 62.300 0.344 0.000 1.070 304 V CB -0.583 31.414 31.823 0.290 0.000 0.664 304 V HN 0.822 nan 8.190 nan 0.000 0.461 305 G N -0.702 108.128 108.800 0.051 0.000 2.422 305 G HA2 -0.311 3.639 3.960 -0.017 0.000 0.218 305 G HA3 -0.311 3.639 3.960 -0.017 0.000 0.218 305 G C 1.562 176.541 174.900 0.131 0.000 1.146 305 G CA 0.871 45.938 45.100 -0.054 0.000 0.769 305 G HN 0.638 nan 8.290 nan 0.000 0.547 306 Q N -0.744 119.020 119.800 -0.061 0.000 2.234 306 Q HA -0.136 4.194 4.340 -0.017 0.000 0.206 306 Q C 0.998 176.771 176.000 -0.379 0.000 0.980 306 Q CA 1.099 56.727 55.803 -0.290 0.000 0.869 306 Q CB -0.130 28.255 28.738 -0.587 0.000 0.912 306 Q HN 0.637 nan 8.270 nan 0.000 0.436 307 Y N -0.579 119.848 120.300 0.211 0.000 2.658 307 Y HA 0.441 4.981 4.550 -0.017 0.000 0.276 307 Y C 0.268 176.324 175.900 0.260 0.000 1.167 307 Y CA -0.362 57.859 58.100 0.201 0.000 1.230 307 Y CB -0.056 38.525 38.460 0.201 0.000 1.144 307 Y HN 0.052 nan 8.280 nan 0.000 0.529 308 A N 0.979 124.035 122.820 0.393 0.000 2.520 308 A HA 0.088 4.398 4.320 -0.017 0.000 0.245 308 A C 0.333 178.097 177.584 0.300 0.000 1.072 308 A CA -0.228 52.080 52.037 0.451 0.000 0.761 308 A CB -0.205 19.073 19.000 0.463 0.000 1.004 308 A HN 0.605 nan 8.150 nan 0.000 0.499 309 N N 0.819 119.701 118.700 0.303 0.000 2.467 309 N HA 0.277 5.006 4.740 -0.017 0.000 0.262 309 N C -0.360 175.229 175.510 0.132 0.000 1.234 309 N CA -0.322 52.843 53.050 0.193 0.000 0.952 309 N CB 0.607 39.194 38.487 0.168 0.000 1.158 309 N HN 0.554 nan 8.380 nan 0.000 0.463 310 S N 1.215 116.954 115.700 0.065 0.000 2.465 310 S HA 0.229 4.689 4.470 -0.017 0.000 0.279 310 S C -0.030 174.573 174.600 0.005 0.000 1.201 310 S CA -0.613 57.589 58.200 0.003 0.000 1.053 310 S CB 0.062 63.243 63.200 -0.031 0.000 0.953 310 S HN 0.269 nan 8.310 nan 0.000 0.488 311 L N 3.811 125.041 121.223 0.011 0.000 2.278 311 L HA 0.334 4.664 4.340 -0.017 0.000 0.287 311 L C 0.504 177.371 176.870 -0.004 0.000 1.072 311 L CA -0.618 54.259 54.840 0.062 0.000 0.819 311 L CB 0.391 42.583 42.059 0.222 0.000 1.176 311 L HN 0.432 nan 8.230 nan 0.000 0.435 312 E N 3.077 123.283 120.200 0.011 0.000 2.316 312 E HA 0.151 4.491 4.350 -0.017 0.000 0.275 312 E C -0.305 176.345 176.600 0.083 0.000 1.029 312 E CA -0.682 55.721 56.400 0.005 0.000 0.871 312 E CB 1.802 31.501 29.700 -0.002 0.000 1.022 312 E HN 0.289 nan 8.360 nan 0.000 0.418 313 L N 1.739 123.028 121.223 0.109 0.000 2.485 313 L HA 0.203 4.532 4.340 -0.017 0.000 0.275 313 L C 1.304 178.223 176.870 0.082 0.000 1.207 313 L CA 1.573 56.514 54.840 0.169 0.000 0.855 313 L CB 0.320 42.491 42.059 0.186 0.000 1.114 313 L HN 0.775 nan 8.230 nan 0.000 0.485 314 G N 2.157 110.994 108.800 0.061 0.000 2.166 314 G HA2 -0.367 3.583 3.960 -0.017 0.000 0.260 314 G HA3 -0.367 3.583 3.960 -0.017 0.000 0.260 314 G C 0.755 175.670 174.900 0.024 0.000 0.986 314 G CA 0.589 45.708 45.100 0.030 0.000 0.683 314 G HN 1.027 nan 8.290 nan 0.000 0.527 315 C N -1.971 117.347 119.300 0.031 0.000 2.845 315 C HA 0.375 4.824 4.460 -0.017 0.000 0.393 315 C C 2.003 177.002 174.990 0.015 0.000 1.712 315 C CA 1.561 60.588 59.018 0.015 0.000 2.337 315 C CB -0.326 27.420 27.740 0.009 0.000 2.312 315 C HN 0.382 nan 8.230 nan 0.000 0.623 316 D N 0.151 120.571 120.400 0.035 0.000 2.183 316 D HA 0.122 4.752 4.640 -0.017 0.000 0.205 316 D C 0.235 176.591 176.300 0.094 0.000 0.962 316 D CA 1.140 55.169 54.000 0.049 0.000 0.849 316 D CB 0.130 40.968 40.800 0.063 0.000 0.978 316 D HN 0.455 nan 8.370 nan 0.000 0.488 317 c N 1.841 120.487 118.600 0.077 0.000 2.344 317 c HA 0.480 5.040 4.570 -0.017 0.000 0.326 317 c C -0.266 173.773 174.090 -0.086 0.000 1.201 317 c CA -1.157 55.158 56.329 -0.023 0.000 1.410 317 c CB 0.705 43.193 42.510 -0.037 0.000 2.070 317 c HN 0.151 nan 8.230 nan 0.000 0.445 318 L N 4.092 125.239 121.223 -0.126 0.000 2.325 318 L HA 0.940 5.270 4.340 -0.017 0.000 0.279 318 L C 0.577 177.365 176.870 -0.136 0.000 1.054 318 L CA 1.872 56.660 54.840 -0.086 0.000 0.804 318 L CB 0.852 42.894 42.059 -0.028 0.000 1.200 318 L HN 1.105 nan 8.230 nan 0.000 0.436 319 G N 3.355 112.117 108.800 -0.063 0.000 2.428 319 G HA2 -0.152 3.798 3.960 -0.017 0.000 0.202 319 G HA3 -0.152 3.798 3.960 -0.017 0.000 0.202 319 G C -1.053 173.832 174.900 -0.025 0.000 1.247 319 G CA -0.186 44.896 45.100 -0.030 0.000 1.020 319 G HN 0.766 nan 8.290 nan 0.000 0.529 320 D N 0.881 121.290 120.400 0.014 0.000 2.422 320 D HA 0.483 5.112 4.640 -0.017 0.000 0.227 320 D C -0.237 176.080 176.300 0.029 0.000 1.190 320 D CA -0.109 53.903 54.000 0.020 0.000 0.905 320 D CB 0.274 41.092 40.800 0.030 0.000 1.034 320 D HN 0.328 nan 8.370 nan 0.000 0.507 321 I N 2.143 122.680 120.570 -0.055 0.000 2.392 321 I HA 0.188 4.347 4.170 -0.017 0.000 0.295 321 I C 0.674 176.686 176.117 -0.175 0.000 0.985 321 I CA -0.342 60.860 61.300 -0.163 0.000 1.221 321 I CB 2.062 39.776 38.000 -0.477 0.000 1.366 321 I HN 0.084 nan 8.210 nan 0.000 0.467 322 T N 5.566 120.078 114.554 -0.070 0.000 2.770 322 T HA 0.504 4.843 4.350 -0.017 0.000 0.283 322 T C -0.803 173.834 174.700 -0.106 0.000 0.988 322 T CA -0.305 61.809 62.100 0.023 0.000 0.957 322 T CB 0.210 69.246 68.868 0.280 0.000 0.930 322 T HN 0.119 nan 8.240 nan 0.000 0.443 323 Y N 2.079 122.430 120.300 0.085 0.000 2.387 323 Y HA 0.620 5.160 4.550 -0.017 0.000 0.330 323 Y C 0.225 176.140 175.900 0.024 0.000 1.133 323 Y CA -1.206 56.922 58.100 0.047 0.000 1.152 323 Y CB 1.030 39.508 38.460 0.030 0.000 1.215 323 Y HN 0.372 nan 8.280 nan 0.000 0.466 324 L N 1.648 122.977 121.223 0.177 0.000 2.346 324 L HA 0.527 4.857 4.340 -0.017 0.000 0.274 324 L C -0.508 176.364 176.870 0.004 0.000 1.007 324 L CA -0.639 54.239 54.840 0.063 0.000 0.818 324 L CB 1.903 43.969 42.059 0.011 0.000 1.284 324 L HN 0.545 nan 8.230 nan 0.000 0.424 325 S N 3.294 118.972 115.700 -0.037 0.000 2.406 325 S HA 0.321 4.781 4.470 -0.017 0.000 0.224 325 S C -2.357 172.162 174.600 -0.136 0.000 1.426 325 S CA -1.038 57.106 58.200 -0.094 0.000 1.179 325 S CB 0.745 63.910 63.200 -0.058 0.000 1.042 325 S HN 0.384 nan 8.310 nan 0.000 0.479 326 P HA 0.185 nan 4.420 nan 0.000 0.269 326 P C -0.685 176.525 177.300 -0.151 0.000 1.209 326 P CA -0.232 62.713 63.100 -0.259 0.000 0.776 326 P CB 0.766 32.060 31.700 -0.677 0.000 0.876 327 V N 4.419 124.309 119.914 -0.041 0.000 2.483 327 V HA 0.408 4.518 4.120 -0.017 0.000 0.295 327 V C 0.702 176.820 176.094 0.039 0.000 1.035 327 V CA -0.557 61.739 62.300 -0.007 0.000 0.896 327 V CB 1.432 33.258 31.823 0.005 0.000 0.986 327 V HN 0.502 nan 8.190 nan 0.000 0.447 328 I N 1.426 122.011 120.570 0.026 0.000 3.294 328 I HA 0.692 4.851 4.170 -0.017 0.000 0.311 328 I C -0.237 175.874 176.117 -0.010 0.000 1.111 328 I CA -0.904 60.412 61.300 0.026 0.000 0.976 328 I CB 1.824 39.846 38.000 0.037 0.000 1.260 328 I HN 0.568 nan 8.210 nan 0.000 0.474 329 S N 1.238 116.914 115.700 -0.039 0.000 2.578 329 S HA 0.453 4.912 4.470 -0.017 0.000 0.283 329 S C -0.422 174.144 174.600 -0.056 0.000 1.195 329 S CA -0.450 57.722 58.200 -0.047 0.000 1.050 329 S CB 0.621 63.780 63.200 -0.068 0.000 1.012 329 S HN 0.800 nan 8.310 nan 0.000 0.511 330 D N 2.622 123.000 120.400 -0.038 0.000 2.478 330 D HA 0.415 5.044 4.640 -0.017 0.000 0.274 330 D C 1.241 177.455 176.300 -0.143 0.000 1.234 330 D CA -0.152 53.811 54.000 -0.062 0.000 1.069 330 D CB 0.064 40.870 40.800 0.010 0.000 1.113 330 D HN 0.477 nan 8.370 nan 0.000 0.571 331 A N -1.088 121.545 122.820 -0.312 0.000 2.070 331 A HA -0.040 4.270 4.320 -0.017 0.000 0.220 331 A C 1.542 178.781 177.584 -0.574 0.000 1.159 331 A CA 0.839 52.574 52.037 -0.502 0.000 0.656 331 A CB -0.895 17.670 19.000 -0.725 0.000 0.800 331 A HN 0.460 nan 8.150 nan 0.000 0.453 332 F N -1.624 118.337 119.950 0.019 0.000 2.695 332 F HA 0.412 4.928 4.527 -0.017 0.000 0.303 332 F C 1.749 177.548 175.800 -0.002 0.000 1.091 332 F CA 0.205 58.212 58.000 0.013 0.000 1.300 332 F CB 0.127 39.133 39.000 0.010 0.000 1.071 332 F HN 0.299 nan 8.300 nan 0.000 0.578 333 G N 0.124 108.975 108.800 0.085 0.000 2.159 333 G HA2 -0.247 3.703 3.960 -0.017 0.000 0.227 333 G HA3 -0.247 3.703 3.960 -0.017 0.000 0.227 333 G C -0.025 174.893 174.900 0.030 0.000 0.986 333 G CA -0.523 44.599 45.100 0.036 0.000 0.651 333 G HN 0.258 nan 8.290 nan 0.000 0.523 334 N N 2.217 120.960 118.700 0.070 0.000 2.499 334 N HA 0.410 5.139 4.740 -0.017 0.000 0.281 334 N C -2.484 173.037 175.510 0.019 0.000 1.098 334 N CA -1.036 52.042 53.050 0.048 0.000 0.979 334 N CB 1.609 40.147 38.487 0.084 0.000 1.121 334 N HN 0.196 nan 8.380 nan 0.000 0.466 335 P HA 0.140 nan 4.420 nan 0.000 0.271 335 P C -0.539 176.761 177.300 0.001 0.000 1.216 335 P CA -0.017 63.078 63.100 -0.007 0.000 0.776 335 P CB 1.100 32.791 31.700 -0.015 0.000 0.881 336 R N 1.679 122.177 120.500 -0.003 0.000 2.532 336 R HA 0.270 4.600 4.340 -0.017 0.000 0.297 336 R C -0.589 175.702 176.300 -0.015 0.000 0.984 336 R CA -0.606 55.491 56.100 -0.004 0.000 0.884 336 R CB 1.503 31.800 30.300 -0.004 0.000 1.182 336 R HN 0.474 nan 8.270 nan 0.000 0.442 337 E N 5.463 125.650 120.200 -0.020 0.000 2.216 337 E HA 0.201 4.540 4.350 -0.017 0.000 0.279 337 E C -0.777 175.793 176.600 -0.050 0.000 0.997 337 E CA -0.566 55.811 56.400 -0.038 0.000 0.817 337 E CB 1.020 30.699 29.700 -0.034 0.000 1.096 337 E HN 0.566 nan 8.360 nan 0.000 0.393 338 I N 4.834 125.352 120.570 -0.086 0.000 2.282 338 I HA 0.188 4.347 4.170 -0.017 0.000 0.290 338 I C 0.169 176.224 176.117 -0.103 0.000 1.090 338 I CA -0.658 60.587 61.300 -0.090 0.000 1.231 338 I CB 0.519 38.434 38.000 -0.142 0.000 1.434 338 I HN 0.366 nan 8.210 nan 0.000 0.487 339 R N 6.576 127.030 120.500 -0.077 0.000 2.484 339 R HA 0.037 4.367 4.340 -0.017 0.000 0.293 339 R C 0.343 176.564 176.300 -0.131 0.000 1.023 339 R CA 0.328 56.371 56.100 -0.095 0.000 1.037 339 R CB -0.141 30.107 30.300 -0.086 0.000 0.951 339 R HN 0.570 nan 8.270 nan 0.000 0.418 340 N N 2.445 121.049 118.700 -0.160 0.000 2.705 340 N HA -0.180 4.549 4.740 -0.017 0.000 0.255 340 N C 0.455 175.933 175.510 -0.053 0.000 1.008 340 N CA 1.246 54.159 53.050 -0.229 0.000 0.742 340 N CB -1.215 36.847 38.487 -0.709 0.000 0.906 340 N HN 0.853 nan 8.380 nan 0.000 0.541 341 G N -1.034 107.742 108.800 -0.041 0.000 2.623 341 G HA2 0.253 4.203 3.960 -0.017 0.000 0.214 341 G HA3 0.253 4.203 3.960 -0.017 0.000 0.214 341 G C 0.538 175.481 174.900 0.071 0.000 1.138 341 G CA 0.188 45.275 45.100 -0.021 0.000 0.794 341 G HN 0.447 nan 8.290 nan 0.000 0.535 342 I N 0.381 121.004 120.570 0.090 0.000 2.466 342 I HA 0.320 4.480 4.170 -0.017 0.000 0.289 342 I C -0.732 175.505 176.117 0.200 0.000 1.026 342 I CA -0.904 60.477 61.300 0.135 0.000 1.078 342 I CB 2.489 40.501 38.000 0.021 0.000 1.249 342 I HN -0.178 nan 8.210 nan 0.000 0.429 343 c N 6.781 125.475 118.600 0.158 0.000 2.358 343 c HA 0.714 5.274 4.570 -0.017 0.000 0.342 343 c C 0.004 174.098 174.090 0.006 0.000 1.234 343 c CA -0.520 55.833 56.329 0.039 0.000 1.969 343 c CB 0.797 43.361 42.510 0.089 0.000 2.346 343 c HN 0.666 nan 8.230 nan 0.000 0.525 344 M N 5.246 124.813 119.600 -0.055 0.000 2.271 344 M HA 0.486 4.956 4.480 -0.017 0.000 0.285 344 M C -0.753 175.526 176.300 -0.036 0.000 1.059 344 M CA -0.158 55.041 55.300 -0.168 0.000 0.940 344 M CB 1.952 34.368 32.600 -0.306 0.000 1.636 344 M HN 0.986 nan 8.290 nan 0.000 0.460 345 H N 0.883 119.778 119.070 -0.291 0.000 2.950 345 H HA 0.478 5.024 4.556 -0.017 0.000 0.307 345 H C -2.111 173.130 175.328 -0.146 0.000 1.403 345 H CA -1.040 54.994 56.048 -0.022 0.000 1.145 345 H CB 1.126 30.898 29.762 0.018 0.000 1.844 345 H HN 0.736 nan 8.280 nan 0.000 0.515 346 E N 0.993 121.227 120.200 0.056 0.000 2.227 346 E HA 0.517 4.857 4.350 -0.017 0.000 0.268 346 E C -0.916 175.729 176.600 0.075 0.000 0.907 346 E CA -0.937 55.391 56.400 -0.120 0.000 0.786 346 E CB 2.848 32.619 29.700 0.118 0.000 1.191 346 E HN 0.712 nan 8.360 nan 0.000 0.411 347 E N 2.027 122.241 120.200 0.023 0.000 2.340 347 E HA 0.263 4.603 4.350 -0.017 0.000 0.273 347 E C -1.338 175.388 176.600 0.209 0.000 0.891 347 E CA -1.024 55.468 56.400 0.154 0.000 0.757 347 E CB 1.607 31.414 29.700 0.179 0.000 1.231 347 E HN 0.525 nan 8.360 nan 0.000 0.439 348 D N 1.445 121.982 120.400 0.229 0.000 2.423 348 D HA -0.058 4.572 4.640 -0.017 0.000 0.238 348 D C -0.974 175.549 176.300 0.373 0.000 1.142 348 D CA 0.130 54.277 54.000 0.245 0.000 0.884 348 D CB 0.546 41.437 40.800 0.152 0.000 1.199 348 D HN 0.531 nan 8.370 nan 0.000 0.438 349 W N 5.608 126.954 121.300 0.076 0.000 1.259 349 W HA 0.369 5.018 4.660 -0.018 0.000 0.299 349 W C 0.310 176.866 176.519 0.061 0.000 0.843 349 W CA 0.017 57.405 57.345 0.072 0.000 2.171 349 W CB 0.165 29.713 29.460 0.147 0.000 1.945 349 W HN 0.854 nan 8.180 nan 0.000 0.493 350 G N 2.009 110.757 108.800 -0.087 0.000 2.574 350 G HA2 -0.358 3.592 3.960 -0.017 0.000 0.282 350 G HA3 -0.358 3.592 3.960 -0.017 0.000 0.282 350 G C -0.565 174.327 174.900 -0.014 0.000 1.257 350 G CA 0.168 45.198 45.100 -0.116 0.000 0.956 350 G HN 0.110 nan 8.290 nan 0.000 0.560 351 I N 0.873 121.425 120.570 -0.031 0.000 2.441 351 I HA 0.337 4.496 4.170 -0.017 0.000 0.287 351 I C 1.444 177.595 176.117 0.057 0.000 1.049 351 I CA -0.008 61.300 61.300 0.013 0.000 1.381 351 I CB 1.336 39.335 38.000 -0.002 0.000 1.409 351 I HN 0.631 nan 8.210 nan 0.000 0.523 352 L N 6.621 127.896 121.223 0.086 0.000 2.145 352 L HA 0.564 4.894 4.340 -0.017 0.000 0.201 352 L C 0.681 177.614 176.870 0.105 0.000 1.075 352 L CA 1.084 55.995 54.840 0.117 0.000 0.773 352 L CB -0.108 42.030 42.059 0.132 0.000 0.936 352 L HN 0.663 nan 8.230 nan 0.000 0.451 353 A N -0.551 122.343 122.820 0.122 0.000 2.574 353 A HA 0.676 4.986 4.320 -0.017 0.000 0.297 353 A C -1.115 176.595 177.584 0.210 0.000 1.062 353 A CA -0.587 51.548 52.037 0.164 0.000 0.686 353 A CB 1.182 20.318 19.000 0.227 0.000 1.285 353 A HN 0.081 nan 8.150 nan 0.000 0.403 354 K N 0.793 121.316 120.400 0.204 0.000 2.572 354 K HA 0.568 4.878 4.320 -0.017 0.000 0.263 354 K C -2.242 174.505 176.600 0.245 0.000 0.932 354 K CA -0.516 55.905 56.287 0.224 0.000 0.838 354 K CB 1.766 34.333 32.500 0.112 0.000 1.366 354 K HN 1.112 nan 8.250 nan 0.000 0.425 355 H N 0.221 119.363 119.070 0.119 0.000 3.129 355 H HA 0.369 4.914 4.556 -0.018 0.000 0.342 355 H C -1.983 173.369 175.328 0.041 0.000 1.092 355 H CA -0.386 55.685 56.048 0.039 0.000 1.310 355 H CB 1.867 31.620 29.762 -0.014 0.000 1.932 355 H HN 0.421 nan 8.280 nan 0.000 0.507 356 S N 4.093 119.477 115.700 -0.527 0.000 2.594 356 S HA 0.172 4.632 4.470 -0.017 0.000 0.322 356 S C -0.743 173.427 174.600 -0.716 0.000 1.085 356 S CA -0.690 57.253 58.200 -0.430 0.000 1.116 356 S CB 0.543 63.620 63.200 -0.204 0.000 0.979 356 S HN 0.659 nan 8.310 nan 0.000 0.465 357 D N 2.336 122.351 120.400 -0.642 0.000 2.277 357 D HA 0.294 4.924 4.640 -0.017 0.000 0.249 357 D C 1.325 177.490 176.300 -0.225 0.000 1.134 357 D CA -0.726 53.022 54.000 -0.420 0.000 0.863 357 D CB 0.723 41.452 40.800 -0.118 0.000 1.143 357 D HN 0.265 nan 8.370 nan 0.000 0.458 358 L N 2.690 123.738 121.223 -0.291 0.000 2.201 358 L HA 0.089 4.419 4.340 -0.017 0.000 0.212 358 L C 1.368 178.161 176.870 -0.129 0.000 1.105 358 L CA 0.808 55.479 54.840 -0.282 0.000 0.775 358 L CB -1.033 40.751 42.059 -0.458 0.000 0.913 358 L HN 0.528 nan 8.230 nan 0.000 0.440 359 W N 0.438 121.741 121.300 0.005 0.000 2.735 359 W HA 0.260 4.916 4.660 -0.005 0.000 0.264 359 W C 2.663 179.184 176.519 0.003 0.000 1.233 359 W CA 0.843 58.193 57.345 0.007 0.000 1.408 359 W CB -0.966 28.503 29.460 0.015 0.000 1.038 359 W HN 0.421 nan 8.180 nan 0.000 0.603 360 S N -0.537 115.288 115.700 0.208 0.000 2.478 360 S HA 0.262 4.721 4.470 -0.017 0.000 0.222 360 S C 1.819 176.460 174.600 0.069 0.000 1.008 360 S CA 0.970 59.246 58.200 0.125 0.000 0.928 360 S CB -0.109 63.155 63.200 0.107 0.000 0.781 360 S HN 0.349 nan 8.310 nan 0.000 0.518 361 G N 1.170 109.992 108.800 0.038 0.000 2.184 361 G HA2 -0.210 3.739 3.960 -0.017 0.000 0.264 361 G HA3 -0.210 3.739 3.960 -0.017 0.000 0.264 361 G C 0.032 174.932 174.900 -0.001 0.000 0.975 361 G CA 0.314 45.421 45.100 0.011 0.000 0.642 361 G HN 0.517 nan 8.290 nan 0.000 0.536 362 I N 1.397 121.969 120.570 0.003 0.000 2.371 362 I HA 0.277 4.436 4.170 -0.017 0.000 0.290 362 I C -0.275 175.837 176.117 -0.008 0.000 1.028 362 I CA -0.724 60.586 61.300 0.017 0.000 1.345 362 I CB 0.907 38.936 38.000 0.048 0.000 1.407 362 I HN 0.010 nan 8.210 nan 0.000 0.501 363 N N 6.778 125.488 118.700 0.016 0.000 2.417 363 N HA 0.263 4.992 4.740 -0.017 0.000 0.274 363 N C -1.088 174.484 175.510 0.103 0.000 0.987 363 N CA -0.370 52.688 53.050 0.012 0.000 0.912 363 N CB 1.912 40.391 38.487 -0.014 0.000 1.177 363 N HN 0.450 nan 8.380 nan 0.000 0.490 364 Y N 1.149 121.433 120.300 -0.027 0.000 2.376 364 Y HA 0.496 5.037 4.550 -0.015 0.000 0.340 364 Y C -0.908 174.999 175.900 0.013 0.000 0.965 364 Y CA -0.312 57.792 58.100 0.006 0.000 1.078 364 Y CB 1.582 40.062 38.460 0.033 0.000 1.193 364 Y HN 0.330 nan 8.280 nan 0.000 0.452 365 T N 6.957 121.364 114.554 -0.245 0.000 2.971 365 T HA 0.587 4.927 4.350 -0.017 0.000 0.304 365 T C -1.307 173.200 174.700 -0.321 0.000 1.038 365 T CA -0.996 61.007 62.100 -0.161 0.000 1.007 365 T CB 1.185 70.007 68.868 -0.075 0.000 1.055 365 T HN 0.419 nan 8.240 nan 0.000 0.451 366 R N 1.857 122.250 120.500 -0.178 0.000 2.673 366 R HA 0.536 4.865 4.340 -0.017 0.000 0.281 366 R C -0.522 175.769 176.300 -0.014 0.000 0.991 366 R CA -0.837 55.182 56.100 -0.134 0.000 0.896 366 R CB 2.406 32.639 30.300 -0.112 0.000 1.201 366 R HN 0.557 nan 8.270 nan 0.000 0.457 367 R N 1.033 121.537 120.500 0.006 0.000 2.536 367 R HA 0.350 4.679 4.340 -0.017 0.000 0.279 367 R C 0.191 176.560 176.300 0.116 0.000 1.001 367 R CA -0.841 55.292 56.100 0.056 0.000 1.027 367 R CB 0.958 31.288 30.300 0.050 0.000 1.096 367 R HN 0.379 nan 8.270 nan 0.000 0.502 368 N N 0.727 119.532 118.700 0.175 0.000 2.485 368 N HA 0.421 5.151 4.740 -0.017 0.000 0.280 368 N C -0.940 174.777 175.510 0.345 0.000 1.205 368 N CA -0.349 52.870 53.050 0.283 0.000 0.959 368 N CB 1.142 39.851 38.487 0.370 0.000 1.206 368 N HN 0.418 nan 8.380 nan 0.000 0.545 369 R N -0.390 120.364 120.500 0.423 0.000 2.692 369 R HA 0.480 4.810 4.340 -0.017 0.000 0.269 369 R C -1.031 175.511 176.300 0.404 0.000 1.030 369 R CA -0.837 55.520 56.100 0.428 0.000 0.882 369 R CB 2.227 32.812 30.300 0.475 0.000 1.250 369 R HN 0.723 nan 8.270 nan 0.000 0.465 370 R N 0.789 121.335 120.500 0.077 0.000 2.651 370 R HA 0.520 4.850 4.340 -0.017 0.000 0.278 370 R C -1.251 174.583 176.300 -0.778 0.000 1.010 370 R CA -1.018 54.824 56.100 -0.429 0.000 0.896 370 R CB 1.668 31.319 30.300 -1.082 0.000 1.211 370 R HN 0.409 nan 8.270 nan 0.000 0.456 371 M N 2.779 121.591 119.600 -1.312 0.000 2.216 371 M HA 0.322 4.792 4.480 -0.017 0.000 0.356 371 M C -1.464 174.337 176.300 -0.832 0.000 1.205 371 M CA -0.464 53.998 55.300 -1.398 0.000 1.122 371 M CB 1.607 33.187 32.600 -1.700 0.000 1.571 371 M HN 0.527 nan 8.290 nan 0.000 0.464 372 V N 6.816 126.279 119.914 -0.752 0.000 2.448 372 V HA 0.575 4.684 4.120 -0.017 0.000 0.295 372 V C -0.893 174.952 176.094 -0.414 0.000 1.025 372 V CA -0.618 61.384 62.300 -0.495 0.000 0.859 372 V CB 1.606 33.110 31.823 -0.531 0.000 0.988 372 V HN 0.733 nan 8.190 nan 0.000 0.431 373 I N 4.618 125.040 120.570 -0.246 0.000 2.439 373 I HA 0.686 4.846 4.170 -0.017 0.000 0.285 373 I C 0.070 176.176 176.117 -0.017 0.000 1.021 373 I CA 0.290 61.509 61.300 -0.135 0.000 1.091 373 I CB 2.007 39.928 38.000 -0.130 0.000 1.242 373 I HN 0.797 nan 8.210 nan 0.000 0.439 374 S N 5.387 121.087 115.700 0.000 0.000 2.638 374 S HA 0.933 5.392 4.470 -0.017 0.000 0.274 374 S C -0.946 173.744 174.600 0.150 0.000 1.157 374 S CA -0.758 57.396 58.200 -0.077 0.000 0.826 374 S CB 2.371 65.217 63.200 -0.590 0.000 1.139 374 S HN 0.519 nan 8.310 nan 0.000 0.474 375 F N -1.268 118.619 119.950 -0.106 0.000 2.686 375 F HA 0.896 5.413 4.527 -0.017 0.000 0.311 375 F C -2.287 173.578 175.800 0.109 0.000 1.128 375 F CA -1.646 56.396 58.000 0.069 0.000 0.946 375 F CB 0.901 39.991 39.000 0.151 0.000 1.336 375 F HN 0.629 nan 8.300 nan 0.000 0.457 376 F N 0.943 120.889 119.950 -0.007 0.000 2.556 376 F HA 0.685 5.202 4.527 -0.017 0.000 0.314 376 F C -0.223 175.661 175.800 0.140 0.000 1.106 376 F CA -0.384 57.591 58.000 -0.040 0.000 0.911 376 F CB 2.271 41.296 39.000 0.042 0.000 1.190 376 F HN 0.891 nan 8.300 nan 0.000 0.448 377 T N 2.135 116.918 114.554 0.381 0.000 2.916 377 T HA 0.717 5.057 4.350 -0.017 0.000 0.292 377 T C -1.198 173.747 174.700 0.408 0.000 1.064 377 T CA -0.306 62.067 62.100 0.455 0.000 1.011 377 T CB 1.456 70.626 68.868 0.503 0.000 1.152 377 T HN 0.567 nan 8.240 nan 0.000 0.510 378 T N 3.142 117.899 114.554 0.339 0.000 2.879 378 T HA 0.627 4.966 4.350 -0.017 0.000 0.290 378 T C -0.830 173.932 174.700 0.102 0.000 0.993 378 T CA -0.361 61.848 62.100 0.181 0.000 0.975 378 T CB 0.535 69.482 68.868 0.131 0.000 0.981 378 T HN 0.479 nan 8.240 nan 0.000 0.439 379 I N 3.145 123.722 120.570 0.013 0.000 2.521 379 I HA 0.515 4.675 4.170 -0.017 0.000 0.277 379 I C 1.014 177.033 176.117 -0.163 0.000 1.054 379 I CA -0.156 61.083 61.300 -0.102 0.000 1.117 379 I CB 0.957 38.934 38.000 -0.038 0.000 1.217 379 I HN 0.928 nan 8.210 nan 0.000 0.469 380 G N 5.686 114.430 108.800 -0.094 0.000 2.574 380 G HA2 -0.310 3.640 3.960 -0.017 0.000 0.301 380 G HA3 -0.310 3.640 3.960 -0.017 0.000 0.301 380 G C 0.223 175.035 174.900 -0.146 0.000 1.166 380 G CA 0.414 45.496 45.100 -0.030 0.000 0.971 380 G HN 0.710 nan 8.290 nan 0.000 0.542 384 Y N 0.371 120.764 120.300 0.154 0.000 2.409 384 Y HA 0.731 5.270 4.550 -0.017 0.000 0.343 384 Y C 0.789 176.136 175.900 -0.922 0.000 0.973 384 Y CA -1.108 56.865 58.100 -0.212 0.000 1.064 384 Y CB 2.443 40.891 38.460 -0.020 0.000 1.207 384 Y HN 0.428 nan 8.280 nan 0.000 0.452 385 G N 2.195 110.240 108.800 -1.259 0.000 2.372 385 G HA2 0.584 4.533 3.960 -0.017 0.000 0.323 385 G HA3 0.584 4.533 3.960 -0.017 0.000 0.323 385 G C -1.716 172.748 174.900 -0.727 0.000 1.152 385 G CA -0.414 43.768 45.100 -1.530 0.000 0.906 385 G HN 0.326 nan 8.290 nan 0.000 0.460 386 F N 1.608 121.012 119.950 -0.909 0.000 2.402 386 F HA 0.487 5.003 4.527 -0.017 0.000 0.355 386 F C -0.681 174.710 175.800 -0.682 0.000 1.123 386 F CA -0.892 56.779 58.000 -0.547 0.000 1.021 386 F CB 1.740 40.615 39.000 -0.209 0.000 1.160 386 F HN 0.312 nan 8.300 nan 0.000 0.451 387 Y N 1.443 121.320 120.300 -0.704 0.000 2.350 387 Y HA 0.441 4.980 4.550 -0.017 0.000 0.338 387 Y C -1.072 174.123 175.900 -1.174 0.000 0.961 387 Y CA -1.526 56.101 58.100 -0.787 0.000 1.100 387 Y CB 1.359 39.284 38.460 -0.890 0.000 1.179 387 Y HN 0.514 nan 8.280 nan 0.000 0.454 388 W N 3.373 124.343 121.300 -0.551 0.000 2.529 388 W HA 0.610 5.259 4.660 -0.018 0.000 0.321 388 W C -1.415 174.685 176.519 -0.699 0.000 1.047 388 W CA -0.740 56.301 57.345 -0.507 0.000 1.216 388 W CB 1.147 30.473 29.460 -0.225 0.000 1.357 388 W HN 0.328 nan 8.180 nan 0.000 0.489 389 Y N 2.904 123.101 120.300 -0.170 0.000 2.446 389 Y HA 0.670 5.209 4.550 -0.017 0.000 0.345 389 Y C -0.266 175.324 175.900 -0.516 0.000 0.984 389 Y CA -1.674 56.139 58.100 -0.479 0.000 1.058 389 Y CB 1.229 39.292 38.460 -0.663 0.000 1.220 389 Y HN 0.065 nan 8.280 nan 0.000 0.455 390 L N 3.920 124.798 121.223 -0.574 0.000 2.376 390 L HA 0.510 4.840 4.340 -0.017 0.000 0.275 390 L C -1.238 175.435 176.870 -0.329 0.000 0.987 390 L CA -0.831 53.627 54.840 -0.637 0.000 0.828 390 L CB 1.321 42.703 42.059 -1.129 0.000 1.249 390 L HN 0.605 nan 8.230 nan 0.000 0.409 391 Y N 1.900 122.360 120.300 0.266 0.000 2.488 391 Y HA 0.314 4.854 4.550 -0.017 0.000 0.325 391 Y C 1.197 177.553 175.900 0.760 0.000 1.204 391 Y CA -0.700 57.666 58.100 0.443 0.000 1.229 391 Y CB 1.366 39.977 38.460 0.252 0.000 1.274 391 Y HN 0.441 nan 8.280 nan 0.000 0.493 392 L N 0.673 122.321 121.223 0.708 0.000 2.083 392 L HA -0.198 4.131 4.340 -0.017 0.000 0.209 392 L C 1.797 178.900 176.870 0.388 0.000 1.083 392 L CA 1.740 56.854 54.840 0.456 0.000 0.752 392 L CB -0.338 41.878 42.059 0.263 0.000 0.899 392 L HN 0.780 nan 8.230 nan 0.000 0.433 393 D N -0.422 120.185 120.400 0.345 0.000 2.378 393 D HA -0.048 4.581 4.640 -0.017 0.000 0.227 393 D C 1.419 177.798 176.300 0.133 0.000 1.012 393 D CA 1.007 55.100 54.000 0.156 0.000 0.905 393 D CB 0.286 41.156 40.800 0.117 0.000 0.895 393 D HN 0.376 nan 8.370 nan 0.000 0.532 394 G N -0.654 108.397 108.800 0.418 0.000 2.195 394 G HA2 -0.232 3.718 3.960 -0.017 0.000 0.224 394 G HA3 -0.232 3.718 3.960 -0.017 0.000 0.224 394 G C 0.409 175.791 174.900 0.804 0.000 0.990 394 G CA 0.154 45.543 45.100 0.481 0.000 0.639 394 G HN 0.452 nan 8.290 nan 0.000 0.514 395 T N 1.462 116.398 114.554 0.637 0.000 2.930 395 T HA 0.544 4.884 4.350 -0.017 0.000 0.306 395 T C 0.509 175.577 174.700 0.613 0.000 1.045 395 T CA 0.516 62.936 62.100 0.534 0.000 1.134 395 T CB 1.243 70.241 68.868 0.217 0.000 0.961 395 T HN 0.337 nan 8.240 nan 0.000 0.545 396 I N 2.418 123.266 120.570 0.464 0.000 2.465 396 I HA 0.496 4.656 4.170 -0.017 0.000 0.291 396 I C 0.062 176.335 176.117 0.260 0.000 1.014 396 I CA -0.639 60.830 61.300 0.283 0.000 1.093 396 I CB 1.971 40.105 38.000 0.223 0.000 1.267 396 I HN 0.624 nan 8.210 nan 0.000 0.431 397 E N 5.604 125.913 120.200 0.182 0.000 2.356 397 E HA 0.478 4.818 4.350 -0.017 0.000 0.275 397 E C -2.050 174.364 176.600 -0.311 0.000 0.904 397 E CA -0.627 55.772 56.400 -0.001 0.000 0.757 397 E CB 2.768 32.603 29.700 0.224 0.000 1.232 397 E HN 0.412 nan 8.360 nan 0.000 0.442 398 F N 2.390 121.742 119.950 -0.998 0.000 2.532 398 F HA 0.530 5.046 4.527 -0.018 0.000 0.321 398 F C -1.158 174.060 175.800 -0.971 0.000 1.089 398 F CA -0.509 56.670 58.000 -1.368 0.000 0.926 398 F CB 1.800 39.603 39.000 -1.994 0.000 1.168 398 F HN 0.516 nan 8.300 nan 0.000 0.459 399 E N 4.235 123.287 120.200 -1.914 0.000 2.290 399 E HA 0.689 5.028 4.350 -0.017 0.000 0.274 399 E C -1.931 173.795 176.600 -1.456 0.000 0.889 399 E CA -0.971 54.686 56.400 -1.238 0.000 0.760 399 E CB 1.781 31.162 29.700 -0.531 0.000 1.206 399 E HN 0.872 nan 8.360 nan 0.000 0.419 400 A N 4.450 126.656 122.820 -1.022 0.000 2.317 400 A HA 0.573 4.883 4.320 -0.017 0.000 0.327 400 A C -0.834 176.475 177.584 -0.459 0.000 1.178 400 A CA -0.707 50.819 52.037 -0.852 0.000 0.817 400 A CB 0.861 19.226 19.000 -1.059 0.000 1.189 400 A HN 0.551 nan 8.150 nan 0.000 0.489 401 K N 1.641 121.835 120.400 -0.343 0.000 2.394 401 K HA 0.576 4.886 4.320 -0.017 0.000 0.260 401 K C -0.679 175.879 176.600 -0.070 0.000 0.967 401 K CA -0.311 55.876 56.287 -0.166 0.000 0.855 401 K CB 2.153 34.599 32.500 -0.089 0.000 1.101 401 K HN 0.737 nan 8.250 nan 0.000 0.433 402 A N 2.471 125.277 122.820 -0.023 0.000 2.276 402 A HA 0.586 4.896 4.320 -0.017 0.000 0.316 402 A C -0.084 177.470 177.584 -0.051 0.000 1.229 402 A CA -0.246 51.785 52.037 -0.011 0.000 0.851 402 A CB 1.320 20.263 19.000 -0.096 0.000 1.165 402 A HN 0.684 nan 8.150 nan 0.000 0.513 403 T N 0.769 115.282 114.554 -0.069 0.000 2.587 403 T HA 0.802 5.142 4.350 -0.017 0.000 0.282 403 T C 0.378 175.001 174.700 -0.129 0.000 1.018 403 T CA 1.035 63.103 62.100 -0.053 0.000 1.120 403 T CB 0.687 69.565 68.868 0.017 0.000 1.538 403 T HN 2.649 nan 8.240 nan 0.000 0.480 404 G N -0.146 108.566 108.800 -0.146 0.000 2.418 404 G HA2 0.040 3.990 3.960 -0.017 0.000 0.206 404 G HA3 0.040 3.990 3.960 -0.017 0.000 0.206 404 G C -1.230 173.535 174.900 -0.225 0.000 1.202 404 G CA -0.189 44.786 45.100 -0.208 0.000 1.061 404 G HN 1.357 nan 8.290 nan 0.000 0.563 405 V N 1.319 121.061 119.914 -0.286 0.000 2.495 405 V HA 0.618 4.728 4.120 -0.017 0.000 0.298 405 V C 1.094 177.074 176.094 -0.191 0.000 1.031 405 V CA -0.125 62.023 62.300 -0.254 0.000 0.871 405 V CB 1.171 32.751 31.823 -0.405 0.000 0.988 405 V HN 1.666 nan 8.190 nan 0.000 0.432 406 V N 2.208 122.163 119.914 0.069 0.000 2.843 406 V HA 0.348 4.457 4.120 -0.017 0.000 0.305 406 V C -0.101 176.041 176.094 0.079 0.000 1.065 406 V CA -0.282 62.100 62.300 0.136 0.000 1.116 406 V CB 0.211 32.182 31.823 0.248 0.000 0.968 406 V HN 0.623 nan 8.190 nan 0.000 0.487 407 F N 4.456 124.387 119.950 -0.032 0.000 2.504 407 F HA 0.478 4.995 4.527 -0.017 0.000 0.369 407 F C 1.046 176.933 175.800 0.145 0.000 1.082 407 F CA 0.488 58.493 58.000 0.009 0.000 1.216 407 F CB 0.718 39.706 39.000 -0.019 0.000 1.108 407 F HN 1.001 nan 8.300 nan 0.000 0.554 408 T N 1.720 116.319 114.554 0.076 0.000 2.923 408 T HA 0.828 5.168 4.350 -0.017 0.000 0.281 408 T C -0.188 174.634 174.700 0.205 0.000 0.995 408 T CA -0.249 61.949 62.100 0.164 0.000 0.985 408 T CB 1.642 70.567 68.868 0.095 0.000 1.114 408 T HN 0.713 nan 8.240 nan 0.000 0.548 409 S N -0.593 115.169 115.700 0.104 0.000 2.727 409 S HA 0.779 5.239 4.470 -0.017 0.000 0.278 409 S C -0.615 173.977 174.600 -0.013 0.000 1.186 409 S CA -0.800 57.411 58.200 0.019 0.000 0.836 409 S CB 0.768 63.976 63.200 0.013 0.000 1.186 409 S HN 1.401 nan 8.310 nan 0.000 0.499 410 A N 0.377 123.146 122.820 -0.085 0.000 2.286 410 A HA 0.723 5.032 4.320 -0.017 0.000 0.286 410 A C -0.874 176.770 177.584 0.100 0.000 1.097 410 A CA -0.448 51.599 52.037 0.016 0.000 0.821 410 A CB -0.031 18.989 19.000 0.034 0.000 1.076 410 A HN 1.008 nan 8.150 nan 0.000 0.490 411 F N 3.712 123.674 119.950 0.020 0.000 2.361 411 F HA 0.470 4.987 4.527 -0.017 0.000 0.364 411 F C -1.816 174.028 175.800 0.075 0.000 1.120 411 F CA -2.728 55.283 58.000 0.019 0.000 1.102 411 F CB 1.020 40.016 39.000 -0.006 0.000 1.183 411 F HN 0.374 nan 8.300 nan 0.000 0.476 412 P HA -0.066 nan 4.420 nan 0.000 0.265 412 P C 0.548 177.653 177.300 -0.325 0.000 1.187 412 P CA 0.269 63.208 63.100 -0.270 0.000 0.766 412 P CB 0.866 32.410 31.700 -0.259 0.000 0.820 413 E N 2.838 122.962 120.200 -0.127 0.000 2.065 413 E HA -0.186 4.154 4.350 -0.017 0.000 0.201 413 E C 1.679 178.237 176.600 -0.070 0.000 1.016 413 E CA 1.743 58.105 56.400 -0.063 0.000 0.818 413 E CB -0.676 28.989 29.700 -0.057 0.000 0.749 413 E HN 0.715 nan 8.360 nan 0.000 0.453 414 G N -0.115 108.622 108.800 -0.104 0.000 3.379 414 G HA2 0.385 4.335 3.960 -0.017 0.000 0.253 414 G HA3 0.385 4.335 3.960 -0.017 0.000 0.253 414 G C 0.397 175.239 174.900 -0.097 0.000 1.262 414 G CA 0.291 45.347 45.100 -0.073 0.000 0.959 414 G HN 0.606 nan 8.290 nan 0.000 0.524 415 G N -1.014 107.665 108.800 -0.203 0.000 2.760 415 G HA2 0.214 4.163 3.960 -0.017 0.000 0.246 415 G HA3 0.214 4.163 3.960 -0.017 0.000 0.246 415 G C -0.299 174.405 174.900 -0.327 0.000 1.359 415 G CA 0.001 44.979 45.100 -0.204 0.000 0.861 415 G HN 1.419 nan 8.290 nan 0.000 0.541 416 S N -1.277 114.325 115.700 -0.163 0.000 2.535 416 S HA 0.583 5.043 4.470 -0.017 0.000 0.272 416 S C -0.233 174.343 174.600 -0.040 0.000 1.149 416 S CA 0.403 58.513 58.200 -0.151 0.000 0.888 416 S CB 1.715 64.754 63.200 -0.268 0.000 1.110 416 S HN 0.616 nan 8.310 nan 0.000 0.463 417 D N 2.572 122.942 120.400 -0.050 0.000 2.339 417 D HA 0.180 4.809 4.640 -0.017 0.000 0.217 417 D C 0.308 176.577 176.300 -0.052 0.000 1.050 417 D CA 0.495 54.509 54.000 0.024 0.000 0.856 417 D CB 0.019 40.847 40.800 0.047 0.000 0.922 417 D HN 0.622 nan 8.370 nan 0.000 0.518 418 N N -0.465 118.032 118.700 -0.338 0.000 2.184 418 N HA 0.272 5.002 4.740 -0.017 0.000 0.234 418 N C -0.397 174.376 175.510 -1.228 0.000 1.282 418 N CA -0.022 52.601 53.050 -0.712 0.000 0.877 418 N CB 1.639 39.983 38.487 -0.238 0.000 1.184 418 N HN -0.003 nan 8.380 nan 0.000 0.510 419 I N -0.046 119.937 120.570 -0.978 0.000 2.752 419 I HA 0.343 4.502 4.170 -0.017 0.000 0.295 419 I C -0.789 175.341 176.117 0.022 0.000 1.219 419 I CA -0.827 60.214 61.300 -0.431 0.000 1.030 419 I CB 2.314 40.268 38.000 -0.076 0.000 1.259 419 I HN -0.129 nan 8.210 nan 0.000 0.423 420 S N 3.264 119.111 115.700 0.244 0.000 2.608 420 S HA 0.421 4.881 4.470 -0.017 0.000 0.291 420 S C -0.648 173.932 174.600 -0.035 0.000 1.146 420 S CA -0.703 57.651 58.200 0.256 0.000 1.043 420 S CB 1.822 65.216 63.200 0.323 0.000 1.037 420 S HN 0.588 nan 8.310 nan 0.000 0.520 421 Q N 1.387 120.907 119.800 -0.467 0.000 2.278 421 Q HA 0.412 4.742 4.340 -0.017 0.000 0.257 421 Q C -0.142 175.649 176.000 -0.348 0.000 0.928 421 Q CA -0.351 54.983 55.803 -0.782 0.000 0.932 421 Q CB 0.499 28.391 28.738 -1.411 0.000 1.221 421 Q HN 0.740 nan 8.270 nan 0.000 0.434 422 L N 2.124 123.170 121.223 -0.294 0.000 2.470 422 L HA 0.516 4.845 4.340 -0.017 0.000 0.219 422 L C 0.420 177.143 176.870 -0.245 0.000 1.071 422 L CA 0.122 54.821 54.840 -0.236 0.000 0.850 422 L CB 0.497 42.334 42.059 -0.369 0.000 1.040 422 L HN 0.618 nan 8.230 nan 0.000 0.475 423 A N -1.105 121.539 122.820 -0.293 0.000 2.599 423 A HA 0.614 4.924 4.320 -0.017 0.000 0.290 423 A C -2.714 174.792 177.584 -0.130 0.000 1.101 423 A CA -1.069 50.864 52.037 -0.172 0.000 0.674 423 A CB 0.402 19.290 19.000 -0.186 0.000 1.277 423 A HN -0.226 nan 8.150 nan 0.000 0.419 424 P HA 0.216 nan 4.420 nan 0.000 0.255 424 P C 1.042 178.353 177.300 0.018 0.000 1.173 424 P CA 2.548 65.644 63.100 -0.008 0.000 0.780 424 P CB 0.073 31.784 31.700 0.019 0.000 0.758 425 G N 2.222 111.061 108.800 0.065 0.000 2.184 425 G HA2 -0.283 3.667 3.960 -0.017 0.000 0.264 425 G HA3 -0.283 3.667 3.960 -0.017 0.000 0.264 425 G C -0.151 174.813 174.900 0.106 0.000 0.975 425 G CA -0.104 45.075 45.100 0.131 0.000 0.642 425 G HN 0.571 nan 8.290 nan 0.000 0.536 426 L N 1.610 122.826 121.223 -0.011 0.000 2.272 426 L HA 0.801 5.131 4.340 -0.017 0.000 0.289 426 L C 0.672 177.488 176.870 -0.089 0.000 1.032 426 L CA 0.205 54.979 54.840 -0.110 0.000 0.810 426 L CB 1.193 43.045 42.059 -0.344 0.000 1.205 426 L HN 0.378 nan 8.230 nan 0.000 0.422 427 G N 3.304 112.117 108.800 0.020 0.000 2.568 427 G HA2 0.802 4.752 3.960 -0.017 0.000 0.313 427 G HA3 0.802 4.752 3.960 -0.017 0.000 0.313 427 G C -1.698 173.236 174.900 0.057 0.000 1.227 427 G CA -0.358 44.811 45.100 0.114 0.000 0.979 427 G HN 0.945 nan 8.290 nan 0.000 0.486 428 A N 1.040 123.931 122.820 0.118 0.000 2.499 428 A HA 0.762 5.071 4.320 -0.017 0.000 0.280 428 A C -2.900 174.821 177.584 0.229 0.000 1.135 428 A CA -1.280 50.860 52.037 0.171 0.000 0.744 428 A CB 1.724 20.811 19.000 0.145 0.000 1.213 428 A HN 0.400 nan 8.150 nan 0.000 0.434 429 P HA 0.239 nan 4.420 nan 0.000 0.268 429 P C -0.389 177.151 177.300 0.400 0.000 1.205 429 P CA 0.133 63.370 63.100 0.228 0.000 0.771 429 P CB 0.200 32.074 31.700 0.289 0.000 0.858 430 F N 3.152 123.178 119.950 0.127 0.000 2.506 430 F HA 0.235 4.752 4.527 -0.017 0.000 0.351 430 F C 1.605 177.292 175.800 -0.188 0.000 1.136 430 F CA 0.501 58.462 58.000 -0.065 0.000 1.298 430 F CB -0.442 38.534 39.000 -0.040 0.000 1.145 430 F HN 0.501 nan 8.300 nan 0.000 0.593 431 H N -0.338 118.529 119.070 -0.337 0.000 2.917 431 H HA 0.475 5.021 4.556 -0.017 0.000 0.299 431 H C -1.869 173.132 175.328 -0.545 0.000 1.418 431 H CA -1.108 54.547 56.048 -0.654 0.000 1.138 431 H CB 1.317 30.240 29.762 -1.397 0.000 1.830 431 H HN 0.586 nan 8.280 nan 0.000 0.514 432 Q N 0.144 119.619 119.800 -0.541 0.000 2.433 432 Q HA 0.387 4.717 4.340 -0.017 0.000 0.279 432 Q C -1.097 174.630 176.000 -0.455 0.000 1.105 432 Q CA -0.984 54.559 55.803 -0.434 0.000 0.815 432 Q CB 2.903 31.457 28.738 -0.306 0.000 1.403 432 Q HN 0.530 nan 8.270 nan 0.000 0.435 433 H N 1.617 120.604 119.070 -0.139 0.000 2.860 433 H HA 0.375 4.920 4.556 -0.017 0.000 0.312 433 H C -0.869 174.265 175.328 -0.324 0.000 0.995 433 H CA -0.361 55.561 56.048 -0.211 0.000 1.311 433 H CB 0.881 30.613 29.762 -0.050 0.000 1.478 433 H HN 0.382 nan 8.280 nan 0.000 0.508 434 I N 4.315 124.667 120.570 -0.363 0.000 2.406 434 I HA 0.257 4.417 4.170 -0.017 0.000 0.290 434 I C -0.111 175.750 176.117 -0.427 0.000 0.999 434 I CA -0.587 60.535 61.300 -0.298 0.000 1.124 434 I CB 0.701 38.563 38.000 -0.230 0.000 1.289 434 I HN 0.236 nan 8.210 nan 0.000 0.441 435 F N 2.876 122.575 119.950 -0.419 0.000 2.483 435 F HA 0.527 5.044 4.527 -0.017 0.000 0.329 435 F C 0.776 176.379 175.800 -0.328 0.000 1.064 435 F CA -0.839 56.875 58.000 -0.477 0.000 0.986 435 F CB 1.667 40.080 39.000 -0.979 0.000 1.218 435 F HN 0.348 nan 8.300 nan 0.000 0.484 436 S N 1.100 116.846 115.700 0.076 0.000 2.756 436 S HA 0.764 5.223 4.470 -0.017 0.000 0.303 436 S C -0.964 173.748 174.600 0.187 0.000 1.135 436 S CA -0.552 57.720 58.200 0.120 0.000 1.066 436 S CB 0.495 63.595 63.200 -0.167 0.000 1.008 436 S HN 0.832 nan 8.310 nan 0.000 0.482 437 A N 4.869 127.855 122.820 0.276 0.000 2.276 437 A HA 0.600 4.910 4.320 -0.017 0.000 0.300 437 A C 0.172 177.775 177.584 0.032 0.000 1.235 437 A CA -0.644 51.509 52.037 0.192 0.000 0.867 437 A CB 0.300 19.376 19.000 0.127 0.000 1.137 437 A HN 0.847 nan 8.150 nan 0.000 0.527 438 R N 3.615 124.066 120.500 -0.082 0.000 2.198 438 R HA 0.519 4.848 4.340 -0.017 0.000 0.339 438 R C -1.528 174.581 176.300 -0.318 0.000 1.020 438 R CA -0.324 55.518 56.100 -0.430 0.000 0.864 438 R CB 0.243 30.159 30.300 -0.641 0.000 1.105 438 R HN 0.713 nan 8.270 nan 0.000 0.463 439 L N 4.540 125.572 121.223 -0.318 0.000 2.301 439 L HA 0.253 4.583 4.340 -0.017 0.000 0.278 439 L C -0.426 176.326 176.870 -0.196 0.000 1.022 439 L CA -0.867 53.864 54.840 -0.182 0.000 0.854 439 L CB 1.451 43.462 42.059 -0.078 0.000 1.226 439 L HN 0.549 nan 8.230 nan 0.000 0.429 440 D N 5.059 125.356 120.400 -0.170 0.000 2.383 440 D HA 0.161 4.791 4.640 -0.017 0.000 0.245 440 D C 0.165 176.451 176.300 -0.022 0.000 1.263 440 D CA -0.226 53.728 54.000 -0.076 0.000 0.936 440 D CB 0.621 41.401 40.800 -0.035 0.000 1.053 440 D HN 0.162 nan 8.370 nan 0.000 0.507 441 M N 2.181 121.784 119.600 0.006 0.000 2.240 441 M HA 0.399 4.869 4.480 -0.017 0.000 0.333 441 M C 0.422 176.745 176.300 0.038 0.000 1.110 441 M CA -0.495 54.810 55.300 0.008 0.000 1.173 441 M CB 0.830 33.445 32.600 0.026 0.000 1.458 441 M HN 0.489 nan 8.290 nan 0.000 0.458 442 A N 2.856 125.641 122.820 -0.058 0.000 3.367 442 A HA 0.362 4.672 4.320 -0.017 0.000 0.208 442 A C -0.446 177.065 177.584 -0.120 0.000 1.043 442 A CA -0.565 51.370 52.037 -0.171 0.000 1.079 442 A CB 0.068 18.806 19.000 -0.436 0.000 1.314 442 A HN 0.595 nan 8.150 nan 0.000 0.668 443 I N 1.621 122.177 120.570 -0.023 0.000 2.680 443 I HA 0.047 4.206 4.170 -0.017 0.000 0.286 443 I C 0.439 176.626 176.117 0.116 0.000 1.144 443 I CA 0.905 62.251 61.300 0.076 0.000 1.370 443 I CB -0.968 37.117 38.000 0.142 0.000 1.420 443 I HN 0.488 nan 8.210 nan 0.000 0.540 444 D N 5.087 125.581 120.400 0.158 0.000 2.837 444 D HA -0.151 4.478 4.640 -0.017 0.000 0.230 444 D C 0.656 176.935 176.300 -0.035 0.000 1.152 444 D CA 1.692 55.725 54.000 0.055 0.000 0.736 444 D CB -0.740 40.061 40.800 0.003 0.000 1.084 444 D HN 1.149 nan 8.370 nan 0.000 0.429 445 G N -2.138 106.591 108.800 -0.118 0.000 2.384 445 G HA2 -0.104 3.845 3.960 -0.017 0.000 0.668 445 G HA3 -0.104 3.845 3.960 -0.017 0.000 0.668 445 G C 0.247 175.023 174.900 -0.207 0.000 1.280 445 G CA -0.379 44.596 45.100 -0.209 0.000 0.992 445 G HN 0.041 nan 8.290 nan 0.000 0.512 446 F N 0.770 120.715 119.950 -0.008 0.000 2.710 446 F HA 0.213 4.730 4.527 -0.017 0.000 0.298 446 F C 2.332 178.135 175.800 0.004 0.000 1.137 446 F CA 1.243 59.232 58.000 -0.017 0.000 1.444 446 F CB 0.225 39.200 39.000 -0.042 0.000 1.111 446 F HN 0.290 nan 8.300 nan 0.000 0.580 447 T N 2.280 116.935 114.554 0.167 0.000 3.185 447 T HA 0.142 4.482 4.350 -0.017 0.000 0.287 447 T C -0.027 174.733 174.700 0.099 0.000 1.051 447 T CA -0.043 62.127 62.100 0.118 0.000 1.051 447 T CB -0.823 68.095 68.868 0.083 0.000 1.034 447 T HN 0.207 nan 8.240 nan 0.000 0.685 448 N N 2.121 120.887 118.700 0.110 0.000 2.453 448 N HA 0.774 5.504 4.740 -0.017 0.000 0.290 448 N C -0.333 175.234 175.510 0.095 0.000 1.250 448 N CA -1.331 51.779 53.050 0.100 0.000 0.815 448 N CB 1.937 40.487 38.487 0.105 0.000 1.381 448 N HN 0.481 nan 8.380 nan 0.000 0.510 449 R N -1.115 119.441 120.500 0.094 0.000 2.710 449 R HA 0.631 4.961 4.340 -0.017 0.000 0.270 449 R C -2.074 174.288 176.300 0.104 0.000 1.021 449 R CA -0.809 55.347 56.100 0.093 0.000 0.889 449 R CB 0.993 31.341 30.300 0.080 0.000 1.243 449 R HN 0.190 nan 8.270 nan 0.000 0.464 450 V N 1.276 121.257 119.914 0.112 0.000 2.540 450 V HA 0.431 4.540 4.120 -0.017 0.000 0.302 450 V C -0.493 175.688 176.094 0.145 0.000 1.035 450 V CA -0.715 61.668 62.300 0.138 0.000 0.873 450 V CB 1.751 33.663 31.823 0.150 0.000 0.992 450 V HN 0.772 nan 8.190 nan 0.000 0.428 451 E N 2.271 122.562 120.200 0.152 0.000 2.238 451 E HA 0.460 4.800 4.350 -0.017 0.000 0.267 451 E C -0.942 175.748 176.600 0.150 0.000 0.887 451 E CA -0.689 55.786 56.400 0.125 0.000 0.769 451 E CB 2.817 32.561 29.700 0.073 0.000 1.187 451 E HN 0.734 nan 8.360 nan 0.000 0.416 452 E N 2.457 122.730 120.200 0.121 0.000 2.146 452 E HA 0.086 4.425 4.350 -0.017 0.000 0.282 452 E C -1.056 175.473 176.600 -0.120 0.000 0.989 452 E CA -0.294 56.099 56.400 -0.010 0.000 0.799 452 E CB 0.953 30.713 29.700 0.100 0.000 1.088 452 E HN 0.404 nan 8.360 nan 0.000 0.397 453 E N 4.348 124.399 120.200 -0.247 0.000 2.145 453 E HA 0.192 4.532 4.350 -0.017 0.000 0.270 453 E C -1.266 175.210 176.600 -0.206 0.000 0.906 453 E CA -0.798 55.498 56.400 -0.173 0.000 0.761 453 E CB 0.947 30.565 29.700 -0.136 0.000 1.116 453 E HN 0.415 nan 8.360 nan 0.000 0.408 454 D N 2.519 122.845 120.400 -0.123 0.000 2.342 454 D HA 0.274 4.903 4.640 -0.017 0.000 0.243 454 D C -0.461 175.810 176.300 -0.047 0.000 1.019 454 D CA -0.563 53.376 54.000 -0.102 0.000 0.864 454 D CB 2.148 42.904 40.800 -0.075 0.000 1.315 454 D HN 0.165 nan 8.370 nan 0.000 0.468 455 V N 1.105 120.997 119.914 -0.037 0.000 2.775 455 V HA 0.240 4.350 4.120 -0.017 0.000 0.299 455 V C 0.185 176.290 176.094 0.018 0.000 1.062 455 V CA -0.299 62.006 62.300 0.008 0.000 1.063 455 V CB 1.520 33.328 31.823 -0.026 0.000 0.994 455 V HN 0.262 nan 8.190 nan 0.000 0.483 456 V N 5.692 125.645 119.914 0.064 0.000 2.407 456 V HA 0.429 4.538 4.120 -0.017 0.000 0.291 456 V C 0.186 176.332 176.094 0.087 0.000 1.018 456 V CA -0.764 61.569 62.300 0.055 0.000 0.842 456 V CB 1.536 33.387 31.823 0.046 0.000 0.996 456 V HN 0.813 nan 8.190 nan 0.000 0.426 457 R N 3.390 123.922 120.500 0.054 0.000 2.490 457 R HA 0.557 4.886 4.340 -0.017 0.000 0.278 457 R C -0.498 175.838 176.300 0.061 0.000 1.069 457 R CA -0.447 55.691 56.100 0.063 0.000 1.080 457 R CB 1.110 31.423 30.300 0.023 0.000 1.030 457 R HN 0.658 nan 8.270 nan 0.000 0.491 458 Q N 0.293 120.137 119.800 0.072 0.000 2.345 458 Q HA 0.282 4.611 4.340 -0.017 0.000 0.268 458 Q C -0.833 175.190 176.000 0.038 0.000 1.054 458 Q CA -0.645 55.188 55.803 0.050 0.000 0.835 458 Q CB 2.644 31.413 28.738 0.052 0.000 1.339 458 Q HN 0.460 nan 8.270 nan 0.000 0.447 459 T N 2.230 116.799 114.554 0.026 0.000 2.869 459 T HA 0.238 4.578 4.350 -0.017 0.000 0.295 459 T C 0.040 174.751 174.700 0.018 0.000 0.987 459 T CA -0.326 61.786 62.100 0.020 0.000 1.109 459 T CB 0.439 69.316 68.868 0.014 0.000 0.932 459 T HN 0.473 nan 8.240 nan 0.000 0.518 460 M N 3.241 122.851 119.600 0.017 0.000 2.248 460 M HA 0.431 4.900 4.480 -0.017 0.000 0.345 460 M C 0.550 176.857 176.300 0.011 0.000 1.243 460 M CA 0.998 56.307 55.300 0.015 0.000 1.090 460 M CB -0.453 32.155 32.600 0.014 0.000 1.683 460 M HN 0.909 nan 8.290 nan 0.000 0.450 461 G N 4.389 113.194 108.800 0.009 0.000 2.398 461 G HA2 0.158 4.108 3.960 -0.017 0.000 0.251 461 G HA3 0.158 4.108 3.960 -0.017 0.000 0.251 461 G C -3.287 171.615 174.900 0.004 0.000 1.277 461 G CA -0.976 44.128 45.100 0.006 0.000 0.927 461 G HN 0.494 nan 8.290 nan 0.000 0.477 462 P HA 0.295 nan 4.420 nan 0.000 0.262 462 P C 0.991 178.291 177.300 0.000 0.000 1.199 462 P CA 1.997 65.098 63.100 0.001 0.000 0.763 462 P CB 0.583 32.284 31.700 0.001 0.000 0.790 463 G N 3.175 111.974 108.800 -0.001 0.000 2.195 463 G HA2 -0.255 3.695 3.960 -0.017 0.000 0.246 463 G HA3 -0.255 3.695 3.960 -0.017 0.000 0.246 463 G C 0.383 175.280 174.900 -0.004 0.000 0.984 463 G CA 0.250 45.348 45.100 -0.004 0.000 0.633 463 G HN 0.688 nan 8.290 nan 0.000 0.525 464 N N 0.100 118.800 118.700 -0.000 0.000 2.605 464 N HA 0.323 5.053 4.740 -0.017 0.000 0.265 464 N C 0.972 176.486 175.510 0.006 0.000 1.625 464 N CA 0.492 53.544 53.050 0.003 0.000 0.862 464 N CB 0.398 38.889 38.487 0.007 0.000 1.415 464 N HN 0.138 nan 8.380 nan 0.000 0.513 465 E N 0.131 120.334 120.200 0.004 0.000 2.171 465 E HA -0.077 4.263 4.350 -0.017 0.000 0.197 465 E C 1.163 177.768 176.600 0.007 0.000 0.997 465 E CA 1.337 57.740 56.400 0.005 0.000 0.810 465 E CB 0.094 29.795 29.700 0.003 0.000 0.738 465 E HN 0.405 nan 8.360 nan 0.000 0.467 466 R N -0.851 119.654 120.500 0.009 0.000 2.317 466 R HA 0.160 4.490 4.340 -0.017 0.000 0.208 466 R C 0.803 177.114 176.300 0.018 0.000 0.914 466 R CA 0.486 56.593 56.100 0.012 0.000 1.060 466 R CB 0.341 30.648 30.300 0.011 0.000 1.015 466 R HN 0.228 nan 8.270 nan 0.000 0.498 467 G N 2.479 111.291 108.800 0.020 0.000 2.305 467 G HA2 -0.298 3.651 3.960 -0.017 0.000 0.287 467 G HA3 -0.298 3.651 3.960 -0.017 0.000 0.287 467 G C 0.419 175.345 174.900 0.044 0.000 1.036 467 G CA 0.743 45.861 45.100 0.029 0.000 0.887 467 G HN 0.582 nan 8.290 nan 0.000 0.505 468 N N -0.600 118.129 118.700 0.048 0.000 2.294 468 N HA 0.359 5.089 4.740 -0.017 0.000 0.186 468 N C 1.100 176.676 175.510 0.111 0.000 1.107 468 N CA 0.672 53.768 53.050 0.076 0.000 0.884 468 N CB 0.102 38.621 38.487 0.053 0.000 1.030 468 N HN 0.947 nan 8.380 nan 0.000 0.482 469 A N 0.993 123.850 122.820 0.062 0.000 2.445 469 A HA 0.453 4.763 4.320 -0.017 0.000 0.242 469 A C -0.476 177.195 177.584 0.145 0.000 1.075 469 A CA -0.198 51.855 52.037 0.027 0.000 0.777 469 A CB -0.356 18.639 19.000 -0.010 0.000 1.013 469 A HN 0.474 nan 8.150 nan 0.000 0.493 470 F N 0.143 120.088 119.950 -0.007 0.000 2.641 470 F HA 0.772 5.289 4.527 -0.015 0.000 0.308 470 F C -0.355 175.438 175.800 -0.010 0.000 1.105 470 F CA -0.318 57.677 58.000 -0.009 0.000 0.964 470 F CB 0.869 39.863 39.000 -0.010 0.000 1.294 470 F HN 0.648 nan 8.300 nan 0.000 0.442 471 S N 1.384 117.205 115.700 0.202 0.000 3.331 471 S HA 0.906 5.366 4.470 -0.017 0.000 0.316 471 S C -1.432 173.251 174.600 0.138 0.000 1.104 471 S CA -0.537 57.707 58.200 0.074 0.000 0.977 471 S CB 1.449 64.656 63.200 0.012 0.000 1.370 471 S HN 1.171 nan 8.310 nan 0.000 0.731 472 R N 0.199 120.737 120.500 0.062 0.000 2.712 472 R HA 0.623 4.952 4.340 -0.017 0.000 0.272 472 R C -2.010 174.300 176.300 0.016 0.000 1.032 472 R CA -1.062 55.064 56.100 0.044 0.000 0.874 472 R CB 1.013 31.337 30.300 0.041 0.000 1.256 472 R HN 0.706 nan 8.270 nan 0.000 0.468 473 K N 1.101 121.502 120.400 0.001 0.000 2.477 473 K HA 0.612 4.922 4.320 -0.017 0.000 0.255 473 K C -1.169 175.424 176.600 -0.013 0.000 0.952 473 K CA -1.221 55.064 56.287 -0.002 0.000 0.826 473 K CB 2.791 35.291 32.500 0.000 0.000 1.331 473 K HN 0.613 nan 8.250 nan 0.000 0.437 474 R N 0.911 121.409 120.500 -0.004 0.000 2.513 474 R HA 0.361 4.691 4.340 -0.017 0.000 0.301 474 R C -1.219 175.089 176.300 0.014 0.000 0.968 474 R CA -0.870 55.228 56.100 -0.002 0.000 0.872 474 R CB 2.556 32.859 30.300 0.004 0.000 1.177 474 R HN 0.658 nan 8.270 nan 0.000 0.444 475 T N 2.442 117.010 114.554 0.023 0.000 2.791 475 T HA 0.221 4.561 4.350 -0.017 0.000 0.288 475 T C 0.071 174.807 174.700 0.060 0.000 0.999 475 T CA -0.600 61.523 62.100 0.038 0.000 0.952 475 T CB 1.439 70.330 68.868 0.039 0.000 0.938 475 T HN 0.146 nan 8.240 nan 0.000 0.444 476 V N 5.158 125.105 119.914 0.056 0.000 2.637 476 V HA 0.189 4.299 4.120 -0.017 0.000 0.296 476 V C 0.382 176.519 176.094 0.073 0.000 1.046 476 V CA -0.408 61.932 62.300 0.067 0.000 1.066 476 V CB 0.337 32.193 31.823 0.056 0.000 0.968 476 V HN 0.712 nan 8.190 nan 0.000 0.483 477 L N 5.398 126.674 121.223 0.088 0.000 2.255 477 L HA 0.297 4.627 4.340 -0.017 0.000 0.289 477 L C 1.420 178.334 176.870 0.074 0.000 1.046 477 L CA -0.164 54.726 54.840 0.083 0.000 0.816 477 L CB 1.056 43.175 42.059 0.099 0.000 1.197 477 L HN 0.907 nan 8.230 nan 0.000 0.427 478 T N -0.624 113.966 114.554 0.061 0.000 3.044 478 T HA 0.179 4.519 4.350 -0.017 0.000 0.255 478 T C 0.947 175.681 174.700 0.057 0.000 1.073 478 T CA 0.060 62.194 62.100 0.056 0.000 1.125 478 T CB 0.347 69.243 68.868 0.046 0.000 0.908 478 T HN 0.332 nan 8.240 nan 0.000 0.480 479 R N 0.784 121.317 120.500 0.055 0.000 2.744 479 R HA 0.435 4.765 4.340 -0.017 0.000 0.279 479 R C 0.598 176.936 176.300 0.063 0.000 0.977 479 R CA -0.532 55.601 56.100 0.055 0.000 0.906 479 R CB 1.572 31.899 30.300 0.044 0.000 1.197 479 R HN 0.255 nan 8.270 nan 0.000 0.463 480 E N 0.526 120.771 120.200 0.074 0.000 2.171 480 E HA -0.215 4.124 4.350 -0.017 0.000 0.197 480 E C 1.379 178.020 176.600 0.069 0.000 0.997 480 E CA 2.108 58.562 56.400 0.090 0.000 0.810 480 E CB 0.113 29.877 29.700 0.107 0.000 0.738 480 E HN 0.641 nan 8.360 nan 0.000 0.467 481 S N 1.089 116.820 115.700 0.051 0.000 2.465 481 S HA -0.197 4.262 4.470 -0.017 0.000 0.241 481 S C 1.575 176.182 174.600 0.011 0.000 1.000 481 S CA 1.450 59.669 58.200 0.032 0.000 0.964 481 S CB -0.322 62.894 63.200 0.028 0.000 0.763 481 S HN 0.498 nan 8.310 nan 0.000 0.512 482 E N 0.019 120.230 120.200 0.019 0.000 2.603 482 E HA 0.553 4.892 4.350 -0.017 0.000 0.211 482 E C 0.865 177.469 176.600 0.007 0.000 0.995 482 E CA 0.166 56.572 56.400 0.009 0.000 0.990 482 E CB 0.402 30.116 29.700 0.024 0.000 1.036 482 E HN 0.476 nan 8.360 nan 0.000 0.475 483 A N 0.940 123.762 122.820 0.004 0.000 2.460 483 A HA 0.303 4.612 4.320 -0.017 0.000 0.258 483 A C 0.270 177.793 177.584 -0.102 0.000 1.300 483 A CA -0.255 51.783 52.037 0.002 0.000 0.913 483 A CB 0.299 19.340 19.000 0.068 0.000 1.031 483 A HN 0.121 nan 8.150 nan 0.000 0.512 484 V N 3.011 122.790 119.914 -0.224 0.000 2.304 484 V HA 0.353 4.463 4.120 -0.017 0.000 0.269 484 V C -0.303 175.562 176.094 -0.382 0.000 1.036 484 V CA -0.636 61.332 62.300 -0.553 0.000 0.840 484 V CB 0.270 31.642 31.823 -0.753 0.000 1.036 484 V HN 0.445 nan 8.190 nan 0.000 0.466 485 R N 3.597 123.893 120.500 -0.340 0.000 2.787 485 R HA 0.662 4.991 4.340 -0.017 0.000 0.271 485 R C -0.122 176.135 176.300 -0.072 0.000 0.993 485 R CA -0.715 55.319 56.100 -0.112 0.000 0.993 485 R CB 2.046 32.384 30.300 0.064 0.000 1.155 485 R HN 0.888 nan 8.270 nan 0.000 0.486 486 E N 0.260 120.526 120.200 0.110 0.000 2.263 486 E HA 0.704 5.044 4.350 -0.017 0.000 0.264 486 E C -0.897 175.911 176.600 0.346 0.000 0.923 486 E CA -1.101 55.390 56.400 0.152 0.000 0.802 486 E CB 1.817 31.562 29.700 0.076 0.000 1.228 486 E HN 0.536 nan 8.360 nan 0.000 0.417 487 A N 1.381 124.405 122.820 0.339 0.000 2.346 487 A HA 0.260 4.570 4.320 -0.017 0.000 0.252 487 A C -0.231 177.458 177.584 0.176 0.000 1.089 487 A CA -0.112 52.144 52.037 0.364 0.000 0.797 487 A CB 0.388 19.591 19.000 0.338 0.000 1.047 487 A HN 0.712 nan 8.150 nan 0.000 0.494 488 D N 0.172 120.626 120.400 0.090 0.000 2.668 488 D HA 0.413 5.042 4.640 -0.017 0.000 0.247 488 D C 0.810 177.113 176.300 0.005 0.000 1.268 488 D CA 0.307 54.327 54.000 0.033 0.000 0.842 488 D CB 0.651 41.451 40.800 0.000 0.000 1.399 488 D HN 0.488 nan 8.370 nan 0.000 0.530 489 A N 2.555 125.397 122.820 0.036 0.000 1.892 489 A HA -0.201 4.109 4.320 -0.017 0.000 0.218 489 A C 2.080 179.664 177.584 -0.001 0.000 1.188 489 A CA 1.450 53.504 52.037 0.027 0.000 0.631 489 A CB -0.279 18.751 19.000 0.051 0.000 0.822 489 A HN 0.495 nan 8.150 nan 0.000 0.447 490 R N -1.375 119.124 120.500 -0.002 0.000 2.127 490 R HA -0.126 4.203 4.340 -0.017 0.000 0.238 490 R C 1.429 177.709 176.300 -0.034 0.000 1.134 490 R CA 1.744 57.834 56.100 -0.016 0.000 0.975 490 R CB -0.299 29.995 30.300 -0.010 0.000 0.865 490 R HN 0.437 nan 8.270 nan 0.000 0.447 491 T N -1.033 113.499 114.554 -0.037 0.000 3.186 491 T HA 0.190 4.530 4.350 -0.017 0.000 0.257 491 T C 0.406 175.064 174.700 -0.069 0.000 1.029 491 T CA 0.594 62.663 62.100 -0.051 0.000 0.916 491 T CB 0.178 69.019 68.868 -0.045 0.000 1.041 491 T HN 0.552 nan 8.240 nan 0.000 0.562 492 G N 2.640 111.402 108.800 -0.063 0.000 2.341 492 G HA2 -0.312 3.637 3.960 -0.017 0.000 0.292 492 G HA3 -0.312 3.637 3.960 -0.017 0.000 0.292 492 G C 0.112 174.935 174.900 -0.128 0.000 1.021 492 G CA 0.520 45.581 45.100 -0.066 0.000 0.905 492 G HN 0.707 nan 8.290 nan 0.000 0.508 493 R N 0.518 120.904 120.500 -0.190 0.000 2.522 493 R HA 0.436 4.766 4.340 -0.017 0.000 0.284 493 R C 0.842 176.778 176.300 -0.606 0.000 1.032 493 R CA 0.941 56.808 56.100 -0.389 0.000 1.049 493 R CB 0.251 30.304 30.300 -0.412 0.000 0.956 493 R HN 0.461 nan 8.270 nan 0.000 0.422 494 T N 0.629 114.740 114.554 -0.738 0.000 2.838 494 T HA 0.527 4.867 4.350 -0.017 0.000 0.292 494 T C -1.040 173.136 174.700 -0.874 0.000 1.113 494 T CA -0.956 60.708 62.100 -0.727 0.000 1.008 494 T CB 1.242 69.846 68.868 -0.440 0.000 1.259 494 T HN 0.557 nan 8.240 nan 0.000 0.520 495 W N 0.694 121.937 121.300 -0.096 0.000 2.683 495 W HA 0.594 5.244 4.660 -0.017 0.000 0.329 495 W C -1.551 174.942 176.519 -0.043 0.000 1.037 495 W CA -1.034 56.281 57.345 -0.049 0.000 1.232 495 W CB 1.761 31.201 29.460 -0.033 0.000 1.390 495 W HN 0.474 nan 8.180 nan 0.000 0.465 496 I N 3.788 124.447 120.570 0.148 0.000 2.354 496 I HA 0.296 4.456 4.170 -0.017 0.000 0.292 496 I C -0.143 176.058 176.117 0.141 0.000 0.989 496 I CA -0.746 60.621 61.300 0.111 0.000 1.188 496 I CB 1.144 39.179 38.000 0.059 0.000 1.342 496 I HN 0.068 nan 8.210 nan 0.000 0.457 497 I N 5.949 126.609 120.570 0.149 0.000 2.330 497 I HA 0.495 4.655 4.170 -0.017 0.000 0.289 497 I C 0.308 176.511 176.117 0.143 0.000 1.001 497 I CA 0.209 61.592 61.300 0.138 0.000 1.193 497 I CB 1.064 39.139 38.000 0.125 0.000 1.345 497 I HN 0.675 nan 8.210 nan 0.000 0.461 498 S N 4.080 119.853 115.700 0.122 0.000 2.704 498 S HA 0.605 5.065 4.470 -0.017 0.000 0.296 498 S C -0.785 173.876 174.600 0.102 0.000 1.138 498 S CA -0.917 57.355 58.200 0.120 0.000 0.875 498 S CB 1.980 65.236 63.200 0.094 0.000 1.151 498 S HN 0.500 nan 8.310 nan 0.000 0.500 499 N N 1.742 120.496 118.700 0.091 0.000 2.518 499 N HA 0.380 5.109 4.740 -0.017 0.000 0.254 499 N C -2.029 173.508 175.510 0.046 0.000 0.979 499 N CA -2.273 50.817 53.050 0.068 0.000 0.930 499 N CB 1.707 40.230 38.487 0.059 0.000 1.152 499 N HN 0.392 nan 8.380 nan 0.000 0.505 500 P HA -0.064 nan 4.420 nan 0.000 0.225 500 P C 0.169 177.482 177.300 0.021 0.000 1.148 500 P CA 1.142 64.262 63.100 0.033 0.000 0.779 500 P CB 0.581 32.303 31.700 0.038 0.000 0.780 501 E N -0.739 119.474 120.200 0.021 0.000 2.472 501 E HA 0.093 4.433 4.350 -0.017 0.000 0.196 501 E C 0.459 177.056 176.600 -0.005 0.000 1.033 501 E CA 0.028 56.435 56.400 0.011 0.000 0.886 501 E CB 0.288 29.998 29.700 0.017 0.000 0.944 501 E HN 0.039 nan 8.360 nan 0.000 0.492 502 S N 1.109 116.802 115.700 -0.011 0.000 2.596 502 S HA 0.310 4.769 4.470 -0.017 0.000 0.318 502 S C -0.884 173.684 174.600 -0.053 0.000 1.097 502 S CA -0.725 57.450 58.200 -0.041 0.000 1.080 502 S CB 0.490 63.656 63.200 -0.058 0.000 0.991 502 S HN -0.048 nan 8.310 nan 0.000 0.471 503 K N 2.955 123.320 120.400 -0.059 0.000 2.208 503 K HA 0.426 4.736 4.320 -0.017 0.000 0.247 503 K C -0.180 176.369 176.600 -0.085 0.000 0.953 503 K CA -1.062 55.190 56.287 -0.059 0.000 0.837 503 K CB 1.011 33.489 32.500 -0.036 0.000 1.131 503 K HN 0.750 nan 8.250 nan 0.000 0.431 504 N N 0.395 119.046 118.700 -0.083 0.000 2.364 504 N HA 0.023 4.753 4.740 -0.017 0.000 0.264 504 N C 0.721 176.197 175.510 -0.056 0.000 1.263 504 N CA -0.523 52.473 53.050 -0.090 0.000 0.959 504 N CB 0.327 38.766 38.487 -0.079 0.000 1.204 504 N HN 0.593 nan 8.380 nan 0.000 0.550 505 R N -0.593 119.879 120.500 -0.046 0.000 2.303 505 R HA -0.022 4.308 4.340 -0.017 0.000 0.225 505 R C 0.466 176.752 176.300 -0.023 0.000 1.114 505 R CA 1.169 57.251 56.100 -0.030 0.000 1.007 505 R CB -0.735 29.552 30.300 -0.021 0.000 0.861 505 R HN 0.590 nan 8.270 nan 0.000 0.471 506 L N 0.878 122.088 121.223 -0.022 0.000 2.653 506 L HA 0.170 4.500 4.340 -0.017 0.000 0.231 506 L C 0.338 177.198 176.870 -0.017 0.000 1.153 506 L CA 0.000 54.830 54.840 -0.017 0.000 0.933 506 L CB -0.586 41.465 42.059 -0.014 0.000 1.175 506 L HN 0.448 nan 8.230 nan 0.000 0.473 507 N N 0.818 119.505 118.700 -0.021 0.000 2.829 507 N HA -0.146 4.584 4.740 -0.017 0.000 0.250 507 N C -0.325 175.176 175.510 -0.015 0.000 1.090 507 N CA 0.179 53.218 53.050 -0.018 0.000 0.781 507 N CB 0.002 38.481 38.487 -0.013 0.000 1.124 507 N HN 0.307 nan 8.380 nan 0.000 0.559 508 E N 0.443 120.632 120.200 -0.018 0.000 2.195 508 E HA 0.411 4.750 4.350 -0.017 0.000 0.271 508 E C -2.474 174.117 176.600 -0.014 0.000 0.923 508 E CA -1.771 54.622 56.400 -0.011 0.000 0.790 508 E CB 1.360 31.055 29.700 -0.007 0.000 1.155 508 E HN 0.134 nan 8.360 nan 0.000 0.402 509 P HA -0.057 nan 4.420 nan 0.000 0.264 509 P C -0.052 177.256 177.300 0.014 0.000 1.193 509 P CA -0.078 63.026 63.100 0.006 0.000 0.763 509 P CB 0.369 32.083 31.700 0.024 0.000 0.810 510 V N 1.850 121.765 119.914 0.001 0.000 2.963 510 V HA 0.772 4.881 4.120 -0.017 0.000 0.306 510 V C 0.576 176.768 176.094 0.163 0.000 1.077 510 V CA 0.217 62.535 62.300 0.031 0.000 1.124 510 V CB 0.364 32.121 31.823 -0.110 0.000 0.987 510 V HN 0.751 nan 8.190 nan 0.000 0.487 511 G N 1.891 110.837 108.800 0.244 0.000 2.559 511 G HA2 0.578 4.528 3.960 -0.017 0.000 0.291 511 G HA3 0.578 4.528 3.960 -0.017 0.000 0.291 511 G C -2.335 172.689 174.900 0.207 0.000 1.424 511 G CA -0.742 44.505 45.100 0.244 0.000 0.786 511 G HN 0.742 nan 8.290 nan 0.000 0.485 512 Y N -0.078 120.247 120.300 0.041 0.000 2.477 512 Y HA 0.641 5.181 4.550 -0.016 0.000 0.347 512 Y C 0.145 176.072 175.900 0.044 0.000 0.981 512 Y CA -0.796 57.314 58.100 0.017 0.000 1.033 512 Y CB 2.781 41.220 38.460 -0.034 0.000 1.245 512 Y HN 0.510 nan 8.280 nan 0.000 0.455 513 K N 3.972 124.441 120.400 0.114 0.000 2.274 513 K HA 0.510 4.820 4.320 -0.017 0.000 0.262 513 K C -1.667 174.950 176.600 0.028 0.000 0.961 513 K CA -0.857 55.443 56.287 0.022 0.000 0.833 513 K CB 0.976 33.420 32.500 -0.093 0.000 1.102 513 K HN 0.624 nan 8.250 nan 0.000 0.436 514 L N 5.537 126.780 121.223 0.033 0.000 2.281 514 L HA 0.248 4.578 4.340 -0.017 0.000 0.285 514 L C -1.078 175.774 176.870 -0.031 0.000 1.074 514 L CA 0.169 55.063 54.840 0.090 0.000 0.817 514 L CB 0.457 42.583 42.059 0.111 0.000 1.168 514 L HN 0.643 nan 8.230 nan 0.000 0.434 515 H N 5.467 124.643 119.070 0.176 0.000 2.581 515 H HA 0.562 5.108 4.556 -0.018 0.000 0.308 515 H C -0.266 175.199 175.328 0.228 0.000 1.040 515 H CA -0.352 55.796 56.048 0.167 0.000 1.231 515 H CB 1.417 31.265 29.762 0.144 0.000 1.396 515 H HN 0.852 nan 8.280 nan 0.000 0.467 516 A N 2.572 125.591 122.820 0.331 0.000 2.264 516 A HA 0.216 4.525 4.320 -0.017 0.000 0.304 516 A C 0.570 178.451 177.584 0.494 0.000 1.100 516 A CA -0.512 51.760 52.037 0.392 0.000 0.839 516 A CB 0.536 19.811 19.000 0.458 0.000 1.121 516 A HN 0.909 nan 8.150 nan 0.000 0.496 517 H N 0.528 119.788 119.070 0.317 0.000 2.551 517 H HA 0.012 4.558 4.556 -0.017 0.000 0.266 517 H C -0.138 175.314 175.328 0.207 0.000 0.964 517 H CA 0.226 56.409 56.048 0.224 0.000 1.180 517 H CB 0.188 30.074 29.762 0.207 0.000 1.408 517 H HN 0.746 nan 8.280 nan 0.000 0.563 518 N N 1.929 120.857 118.700 0.380 0.000 2.735 518 N HA -0.162 4.568 4.740 -0.017 0.000 0.248 518 N C -0.611 175.036 175.510 0.228 0.000 1.083 518 N CA 0.531 53.752 53.050 0.285 0.000 0.703 518 N CB -0.894 37.721 38.487 0.212 0.000 1.005 518 N HN 0.508 nan 8.380 nan 0.000 0.550 519 Q N -0.085 119.865 119.800 0.251 0.000 2.368 519 Q HA 0.361 4.690 4.340 -0.017 0.000 0.237 519 Q C -1.818 174.269 176.000 0.146 0.000 0.987 519 Q CA -1.064 54.852 55.803 0.187 0.000 0.896 519 Q CB 0.166 29.026 28.738 0.205 0.000 1.241 519 Q HN 0.130 nan 8.270 nan 0.000 0.485 520 P HA -0.011 nan 4.420 nan 0.000 0.267 520 P C -0.196 177.132 177.300 0.047 0.000 1.200 520 P CA 0.272 63.413 63.100 0.068 0.000 0.772 520 P CB 0.475 32.203 31.700 0.046 0.000 0.855 521 T N 0.117 114.691 114.554 0.034 0.000 2.920 521 T HA 0.323 4.662 4.350 -0.017 0.000 0.292 521 T C 0.271 174.941 174.700 -0.050 0.000 1.093 521 T CA -0.899 61.200 62.100 -0.000 0.000 0.944 521 T CB 0.006 68.886 68.868 0.021 0.000 1.605 521 T HN 0.178 nan 8.240 nan 0.000 0.590 522 L N 1.093 122.259 121.223 -0.095 0.000 2.628 522 L HA 0.131 4.461 4.340 -0.017 0.000 0.274 522 L C 0.821 177.647 176.870 -0.074 0.000 1.209 522 L CA 0.272 55.039 54.840 -0.123 0.000 0.930 522 L CB -0.511 41.449 42.059 -0.166 0.000 1.183 522 L HN 0.638 nan 8.230 nan 0.000 0.492 523 L N 5.002 126.181 121.223 -0.073 0.000 2.375 523 L HA 0.211 4.541 4.340 -0.017 0.000 0.215 523 L C 1.443 178.299 176.870 -0.024 0.000 1.108 523 L CA 0.233 55.052 54.840 -0.036 0.000 0.830 523 L CB -0.506 41.536 42.059 -0.029 0.000 0.959 523 L HN 0.844 nan 8.230 nan 0.000 0.457 524 A N 0.729 123.525 122.820 -0.040 0.000 2.547 524 A HA -0.114 4.196 4.320 -0.017 0.000 0.233 524 A C 0.295 177.872 177.584 -0.010 0.000 1.067 524 A CA -0.031 51.994 52.037 -0.021 0.000 0.763 524 A CB -0.067 18.915 19.000 -0.030 0.000 1.007 524 A HN 0.282 nan 8.150 nan 0.000 0.506 525 D N 2.267 122.669 120.400 0.003 0.000 2.455 525 D HA 0.031 4.660 4.640 -0.017 0.000 0.241 525 D C -1.144 175.156 176.300 -0.001 0.000 1.138 525 D CA -0.951 53.052 54.000 0.005 0.000 0.877 525 D CB 0.879 41.687 40.800 0.013 0.000 1.187 525 D HN 0.279 nan 8.370 nan 0.000 0.451 526 P HA -0.111 nan 4.420 nan 0.000 0.220 526 P C 1.015 178.310 177.300 -0.008 0.000 1.144 526 P CA 0.918 64.014 63.100 -0.007 0.000 0.800 526 P CB 0.099 31.797 31.700 -0.005 0.000 0.772 527 G N -0.207 108.591 108.800 -0.004 0.000 3.042 527 G HA2 0.035 3.984 3.960 -0.017 0.000 0.212 527 G HA3 0.035 3.984 3.960 -0.017 0.000 0.212 527 G C 0.630 175.528 174.900 -0.004 0.000 1.166 527 G CA 0.126 45.223 45.100 -0.006 0.000 0.767 527 G HN 0.447 nan 8.290 nan 0.000 0.546 528 S N -0.560 115.142 115.700 0.003 0.000 2.600 528 S HA 0.305 4.764 4.470 -0.017 0.000 0.265 528 S C 1.581 176.176 174.600 -0.009 0.000 1.325 528 S CA 0.452 58.664 58.200 0.020 0.000 1.002 528 S CB 1.662 64.884 63.200 0.036 0.000 0.921 528 S HN 0.062 nan 8.310 nan 0.000 0.554 529 S N 0.694 116.387 115.700 -0.011 0.000 2.356 529 S HA -0.122 4.338 4.470 -0.017 0.000 0.223 529 S C 1.710 176.267 174.600 -0.071 0.000 1.032 529 S CA 0.951 59.079 58.200 -0.121 0.000 1.005 529 S CB -0.662 62.325 63.200 -0.355 0.000 0.867 529 S HN 0.712 nan 8.310 nan 0.000 0.449 530 I N 1.971 122.544 120.570 0.005 0.000 2.361 530 I HA -0.080 4.079 4.170 -0.017 0.000 0.251 530 I C 2.333 178.445 176.117 -0.008 0.000 1.133 530 I CA 1.555 62.873 61.300 0.030 0.000 1.413 530 I CB -1.505 36.511 38.000 0.027 0.000 1.073 530 I HN 0.392 nan 8.210 nan 0.000 0.424 531 A N 0.830 123.635 122.820 -0.026 0.000 2.015 531 A HA -0.165 4.144 4.320 -0.017 0.000 0.219 531 A C 2.360 179.922 177.584 -0.037 0.000 1.163 531 A CA 1.082 53.094 52.037 -0.041 0.000 0.646 531 A CB -0.427 18.556 19.000 -0.029 0.000 0.806 531 A HN 0.456 nan 8.150 nan 0.000 0.448 532 R N -1.027 119.448 120.500 -0.042 0.000 2.090 532 R HA 0.087 4.417 4.340 -0.017 0.000 0.219 532 R C 2.290 178.555 176.300 -0.058 0.000 1.100 532 R CA 0.826 56.892 56.100 -0.058 0.000 0.991 532 R CB -0.204 30.044 30.300 -0.087 0.000 0.893 532 R HN 0.418 nan 8.270 nan 0.000 0.443 533 R N 0.490 120.969 120.500 -0.036 0.000 2.115 533 R HA 0.037 4.367 4.340 -0.017 0.000 0.230 533 R C 0.915 177.310 176.300 0.159 0.000 1.111 533 R CA 1.208 57.307 56.100 -0.001 0.000 0.976 533 R CB 0.159 30.472 30.300 0.022 0.000 0.870 533 R HN 0.061 nan 8.270 nan 0.000 0.445 534 A N 0.060 122.978 122.820 0.162 0.000 2.985 534 A HA 0.499 4.809 4.320 -0.017 0.000 0.303 534 A C 1.116 178.586 177.584 -0.191 0.000 1.048 534 A CA -0.049 52.054 52.037 0.111 0.000 1.016 534 A CB 0.334 19.315 19.000 -0.032 0.000 1.118 534 A HN 0.236 nan 8.150 nan 0.000 0.529 535 A N 0.400 123.192 122.820 -0.046 0.000 1.948 535 A HA -0.082 4.228 4.320 -0.017 0.000 0.220 535 A C 1.811 179.390 177.584 -0.009 0.000 1.177 535 A CA 1.899 53.919 52.037 -0.028 0.000 0.636 535 A CB -0.978 18.026 19.000 0.005 0.000 0.815 535 A HN 1.405 nan 8.150 nan 0.000 0.449 536 F N -0.107 119.736 119.950 -0.179 0.000 2.202 536 F HA -0.013 4.503 4.527 -0.017 0.000 0.301 536 F C 2.034 177.904 175.800 0.115 0.000 1.082 536 F CA 0.879 58.689 58.000 -0.317 0.000 1.313 536 F CB -0.944 37.751 39.000 -0.509 0.000 1.024 536 F HN 0.152 nan 8.300 nan 0.000 0.495 537 A N 0.452 122.607 122.820 -1.108 0.000 2.239 537 A HA -0.012 4.298 4.320 -0.017 0.000 0.209 537 A C 2.068 179.518 177.584 -0.223 0.000 1.171 537 A CA 1.312 52.899 52.037 -0.749 0.000 0.768 537 A CB -1.507 16.888 19.000 -1.008 0.000 0.790 537 A HN 0.592 nan 8.150 nan 0.000 0.478 538 T N -3.656 110.862 114.554 -0.059 0.000 3.100 538 T HA 0.204 4.544 4.350 -0.017 0.000 0.253 538 T C 0.560 175.294 174.700 0.056 0.000 1.118 538 T CA 0.210 62.316 62.100 0.009 0.000 1.058 538 T CB 0.136 69.021 68.868 0.029 0.000 0.953 538 T HN 0.098 nan 8.240 nan 0.000 0.515 539 K N 1.044 121.537 120.400 0.155 0.000 2.469 539 K HA 0.396 4.706 4.320 -0.017 0.000 0.254 539 K C -0.513 176.175 176.600 0.148 0.000 0.939 539 K CA -0.526 55.784 56.287 0.039 0.000 0.812 539 K CB 2.137 34.448 32.500 -0.316 0.000 1.301 539 K HN -0.062 nan 8.250 nan 0.000 0.433 540 D N 0.331 120.771 120.400 0.066 0.000 2.183 540 D HA -0.032 4.598 4.640 -0.017 0.000 0.203 540 D C 0.041 176.397 176.300 0.095 0.000 0.969 540 D CA 0.855 54.933 54.000 0.130 0.000 0.842 540 D CB 0.274 41.185 40.800 0.186 0.000 0.957 540 D HN 0.123 nan 8.370 nan 0.000 0.484 541 L N -0.550 120.579 121.223 -0.156 0.000 2.455 541 L HA 0.475 4.804 4.340 -0.017 0.000 0.264 541 L C -2.024 174.761 176.870 -0.142 0.000 0.968 541 L CA -0.617 54.100 54.840 -0.205 0.000 0.827 541 L CB 1.599 43.087 42.059 -0.951 0.000 1.317 541 L HN -0.127 nan 8.230 nan 0.000 0.407 542 W N 3.998 125.293 121.300 -0.009 0.000 2.915 542 W HA 0.762 5.412 4.660 -0.017 0.000 0.337 542 W C -1.251 175.376 176.519 0.180 0.000 1.102 542 W CA -0.797 56.579 57.345 0.052 0.000 1.224 542 W CB 2.070 31.540 29.460 0.016 0.000 1.416 542 W HN 0.175 nan 8.180 nan 0.000 0.503 543 V N 2.700 122.830 119.914 0.359 0.000 2.531 543 V HA 0.703 4.813 4.120 -0.017 0.000 0.301 543 V C -0.045 176.243 176.094 0.323 0.000 1.034 543 V CA -0.791 61.705 62.300 0.326 0.000 0.865 543 V CB 1.386 33.316 31.823 0.180 0.000 0.995 543 V HN 0.589 nan 8.190 nan 0.000 0.424 544 T N 1.686 116.479 114.554 0.398 0.000 2.926 544 T HA 0.779 5.118 4.350 -0.017 0.000 0.289 544 T C -0.453 174.384 174.700 0.229 0.000 1.054 544 T CA -0.956 61.331 62.100 0.313 0.000 1.015 544 T CB 2.193 71.297 68.868 0.392 0.000 1.167 544 T HN 0.506 nan 8.240 nan 0.000 0.526 545 R N 0.507 121.099 120.500 0.152 0.000 2.357 545 R HA 0.385 4.714 4.340 -0.017 0.000 0.296 545 R C -0.944 175.411 176.300 0.093 0.000 1.052 545 R CA -1.022 55.147 56.100 0.116 0.000 0.988 545 R CB -0.312 30.033 30.300 0.075 0.000 1.025 545 R HN 0.782 nan 8.270 nan 0.000 0.469 546 Y N 2.921 123.218 120.300 -0.004 0.000 2.702 546 Y HA 0.317 4.857 4.550 -0.017 0.000 0.336 546 Y C -0.787 175.065 175.900 -0.081 0.000 1.235 546 Y CA 0.876 58.944 58.100 -0.053 0.000 1.492 546 Y CB 0.493 38.886 38.460 -0.111 0.000 1.308 546 Y HN 0.737 nan 8.280 nan 0.000 0.589 547 A N 5.351 127.465 122.820 -1.177 0.000 2.517 547 A HA 0.277 4.587 4.320 -0.017 0.000 0.297 547 A C 0.161 177.102 177.584 -1.070 0.000 1.050 547 A CA -0.564 50.937 52.037 -0.893 0.000 0.694 547 A CB 0.861 19.576 19.000 -0.475 0.000 1.277 547 A HN 0.806 nan 8.150 nan 0.000 0.400 548 D N 1.267 121.264 120.400 -0.673 0.000 2.158 548 D HA -0.177 4.453 4.640 -0.017 0.000 0.197 548 D C 0.776 176.904 176.300 -0.287 0.000 0.995 548 D CA 2.073 55.867 54.000 -0.343 0.000 0.846 548 D CB 0.113 40.846 40.800 -0.112 0.000 0.941 548 D HN 0.781 nan 8.370 nan 0.000 0.456 549 D N 0.207 120.431 120.400 -0.292 0.000 2.340 549 D HA -0.043 4.587 4.640 -0.017 0.000 0.217 549 D C -0.111 175.994 176.300 -0.326 0.000 1.081 549 D CA 0.021 53.881 54.000 -0.234 0.000 0.842 549 D CB -0.406 40.307 40.800 -0.146 0.000 0.934 549 D HN 0.140 nan 8.370 nan 0.000 0.511 550 E N 0.701 120.620 120.200 -0.468 0.000 2.261 550 E HA 0.317 4.657 4.350 -0.017 0.000 0.239 550 E C 0.394 176.845 176.600 -0.247 0.000 0.991 550 E CA -0.285 55.743 56.400 -0.620 0.000 0.847 550 E CB 1.003 30.134 29.700 -0.949 0.000 1.223 550 E HN 0.154 nan 8.360 nan 0.000 0.446 551 R N 0.897 121.225 120.500 -0.286 0.000 2.195 551 R HA 0.129 4.459 4.340 -0.017 0.000 0.197 551 R C -0.058 175.961 176.300 -0.469 0.000 0.990 551 R CA 0.543 56.338 56.100 -0.508 0.000 1.048 551 R CB 0.387 30.081 30.300 -1.009 0.000 0.997 551 R HN 0.248 nan 8.270 nan 0.000 0.502 552 Y N 0.561 120.989 120.300 0.215 0.000 2.446 552 Y HA 0.317 4.856 4.550 -0.017 0.000 0.345 552 Y C -1.782 174.121 175.900 0.005 0.000 0.984 552 Y CA -3.317 54.869 58.100 0.144 0.000 1.058 552 Y CB 1.256 39.694 38.460 -0.036 0.000 1.220 552 Y HN -0.190 nan 8.280 nan 0.000 0.455 553 P HA -0.109 nan 4.420 nan 0.000 0.225 553 P C 0.689 177.747 177.300 -0.403 0.000 1.148 553 P CA 1.569 64.339 63.100 -0.549 0.000 0.779 553 P CB 0.166 31.428 31.700 -0.731 0.000 0.780 554 T N -5.026 109.402 114.554 -0.210 0.000 3.085 554 T HA 0.506 4.845 4.350 -0.017 0.000 0.264 554 T C 0.899 175.542 174.700 -0.096 0.000 1.019 554 T CA 0.112 62.134 62.100 -0.130 0.000 0.910 554 T CB -0.118 68.693 68.868 -0.096 0.000 1.059 554 T HN 0.337 nan 8.240 nan 0.000 0.542 555 G N 1.435 110.222 108.800 -0.022 0.000 2.757 555 G HA2 -0.173 3.777 3.960 -0.017 0.000 0.638 555 G HA3 -0.173 3.777 3.960 -0.017 0.000 0.638 555 G C -0.185 174.728 174.900 0.022 0.000 1.344 555 G CA -0.124 44.999 45.100 0.039 0.000 0.855 555 G HN 0.165 nan 8.290 nan 0.000 0.537 556 D N -0.553 119.779 120.400 -0.112 0.000 2.144 556 D HA 0.090 4.720 4.640 -0.017 0.000 0.200 556 D C 0.967 176.713 176.300 -0.923 0.000 0.978 556 D CA 1.513 55.223 54.000 -0.485 0.000 0.833 556 D CB -0.073 40.241 40.800 -0.809 0.000 0.961 556 D HN 0.257 nan 8.370 nan 0.000 0.470 557 F N -0.148 119.642 119.950 -0.267 0.000 2.434 557 F HA 0.247 4.763 4.527 -0.017 0.000 0.367 557 F C 0.978 176.604 175.800 -0.290 0.000 1.093 557 F CA -0.655 57.144 58.000 -0.336 0.000 1.085 557 F CB 1.509 40.244 39.000 -0.441 0.000 1.322 557 F HN -0.349 nan 8.300 nan 0.000 0.452 558 V N 0.201 120.027 119.914 -0.146 0.000 2.725 558 V HA -0.095 4.015 4.120 -0.017 0.000 0.247 558 V C 1.109 177.095 176.094 -0.181 0.000 1.058 558 V CA 0.371 62.534 62.300 -0.229 0.000 1.080 558 V CB -0.500 31.048 31.823 -0.460 0.000 0.713 558 V HN 0.667 nan 8.190 nan 0.000 0.465 559 N N 1.651 120.286 118.700 -0.109 0.000 2.374 559 N HA -0.072 4.658 4.740 -0.017 0.000 0.269 559 N C 0.546 176.037 175.510 -0.033 0.000 1.310 559 N CA 0.755 53.765 53.050 -0.067 0.000 0.877 559 N CB -0.259 38.195 38.487 -0.055 0.000 1.096 559 N HN 0.453 nan 8.380 nan 0.000 0.484 560 Q N 0.248 120.031 119.800 -0.028 0.000 2.461 560 Q HA -0.310 4.019 4.340 -0.017 0.000 0.273 560 Q C -0.829 175.172 176.000 0.002 0.000 1.163 560 Q CA 0.914 56.703 55.803 -0.023 0.000 0.929 560 Q CB -1.651 27.073 28.738 -0.024 0.000 1.334 560 Q HN 0.711 nan 8.270 nan 0.000 0.499 561 H N 0.003 118.991 119.070 -0.137 0.000 2.481 561 H HA 0.399 4.944 4.556 -0.017 0.000 0.333 561 H C 0.443 175.681 175.328 -0.150 0.000 1.066 561 H CA 0.105 56.074 56.048 -0.132 0.000 1.209 561 H CB 0.990 30.680 29.762 -0.119 0.000 1.445 561 H HN 0.309 nan 8.280 nan 0.000 0.488 562 S N 3.140 118.530 115.700 -0.517 0.000 2.625 562 S HA 0.283 4.742 4.470 -0.017 0.000 0.258 562 S C 0.964 175.193 174.600 -0.619 0.000 1.256 562 S CA -0.305 57.618 58.200 -0.462 0.000 0.983 562 S CB 0.559 63.568 63.200 -0.318 0.000 1.032 562 S HN 0.708 nan 8.310 nan 0.000 0.572 563 G N -1.741 106.838 108.800 -0.369 0.000 2.667 563 G HA2 0.473 4.422 3.960 -0.017 0.000 0.250 563 G HA3 0.473 4.422 3.960 -0.017 0.000 0.250 563 G C 0.836 175.559 174.900 -0.296 0.000 1.212 563 G CA -0.292 44.634 45.100 -0.290 0.000 0.874 563 G HN 1.905 nan 8.290 nan 0.000 0.561 564 G N -1.902 106.784 108.800 -0.190 0.000 2.551 564 G HA2 0.378 4.328 3.960 -0.017 0.000 0.186 564 G HA3 0.378 4.328 3.960 -0.017 0.000 0.186 564 G C 0.302 175.166 174.900 -0.060 0.000 1.002 564 G CA 0.760 45.795 45.100 -0.109 0.000 0.723 564 G HN 1.817 nan 8.290 nan 0.000 0.481 565 A N -0.623 122.159 122.820 -0.063 0.000 2.470 565 A HA 1.113 5.423 4.320 -0.017 0.000 0.271 565 A C 1.185 178.563 177.584 -0.344 0.000 1.269 565 A CA 0.859 52.830 52.037 -0.111 0.000 0.828 565 A CB 0.769 19.813 19.000 0.074 0.000 1.374 565 A HN 2.257 nan 8.150 nan 0.000 0.454 566 G N -1.895 106.541 108.800 -0.607 0.000 2.681 566 G HA2 -0.087 3.862 3.960 -0.017 0.000 0.220 566 G HA3 -0.087 3.862 3.960 -0.017 0.000 0.220 566 G C 0.665 174.713 174.900 -1.420 0.000 1.353 566 G CA -0.064 44.511 45.100 -0.875 0.000 0.872 566 G HN 1.250 nan 8.290 nan 0.000 0.557 567 L N 0.765 121.357 121.223 -1.053 0.000 2.021 567 L HA -0.123 4.206 4.340 -0.017 0.000 0.215 567 L C 0.328 176.878 176.870 -0.533 0.000 1.074 567 L CA 2.647 56.939 54.840 -0.913 0.000 0.760 567 L CB -1.556 39.714 42.059 -1.315 0.000 0.889 567 L HN 0.424 nan 8.230 nan 0.000 0.433 568 P HA -0.187 nan 4.420 nan 0.000 0.216 568 P C 1.929 179.158 177.300 -0.118 0.000 1.153 568 P CA 2.020 65.058 63.100 -0.103 0.000 0.858 568 P CB -0.039 31.611 31.700 -0.083 0.000 0.789 569 S N -2.140 113.406 115.700 -0.256 0.000 2.368 569 S HA -0.201 4.258 4.470 -0.017 0.000 0.224 569 S C 1.926 176.511 174.600 -0.025 0.000 1.029 569 S CA 1.041 59.148 58.200 -0.154 0.000 0.988 569 S CB -1.798 61.287 63.200 -0.191 0.000 0.838 569 S HN 0.015 nan 8.310 nan 0.000 0.462 570 Y N 2.249 122.495 120.300 -0.091 0.000 2.128 570 Y HA 0.045 4.585 4.550 -0.017 0.000 0.284 570 Y C 2.540 178.423 175.900 -0.028 0.000 1.154 570 Y CA -0.356 57.695 58.100 -0.082 0.000 1.149 570 Y CB -1.079 37.289 38.460 -0.153 0.000 0.976 570 Y HN 0.215 nan 8.280 nan 0.000 0.505 571 I N 0.084 120.741 120.570 0.144 0.000 2.335 571 I HA -0.268 3.891 4.170 -0.017 0.000 0.251 571 I C 2.470 178.645 176.117 0.097 0.000 1.129 571 I CA 1.363 62.747 61.300 0.140 0.000 1.402 571 I CB -1.662 36.455 38.000 0.195 0.000 1.069 571 I HN 0.161 nan 8.210 nan 0.000 0.424 572 A N 0.378 123.243 122.820 0.073 0.000 2.024 572 A HA -0.230 4.080 4.320 -0.017 0.000 0.220 572 A C 2.136 179.750 177.584 0.050 0.000 1.164 572 A CA 1.245 53.313 52.037 0.051 0.000 0.643 572 A CB -0.619 18.401 19.000 0.034 0.000 0.806 572 A HN 0.557 nan 8.150 nan 0.000 0.451 573 Q N -1.127 118.710 119.800 0.062 0.000 2.437 573 Q HA -0.100 4.230 4.340 -0.017 0.000 0.210 573 Q C 0.179 176.207 176.000 0.046 0.000 0.972 573 Q CA 0.469 56.302 55.803 0.049 0.000 0.903 573 Q CB -0.203 28.565 28.738 0.050 0.000 0.967 573 Q HN 0.641 nan 8.270 nan 0.000 0.486 574 D N 1.116 121.549 120.400 0.055 0.000 2.720 574 D HA -0.192 4.438 4.640 -0.017 0.000 0.229 574 D C -0.872 175.457 176.300 0.049 0.000 1.198 574 D CA 0.595 54.626 54.000 0.052 0.000 0.639 574 D CB -0.478 40.346 40.800 0.040 0.000 1.003 574 D HN 0.220 nan 8.370 nan 0.000 0.411 575 R N 0.448 120.981 120.500 0.054 0.000 2.637 575 R HA 0.305 4.634 4.340 -0.017 0.000 0.269 575 R C 0.259 176.592 176.300 0.055 0.000 1.089 575 R CA -0.560 55.570 56.100 0.049 0.000 1.177 575 R CB 0.387 30.715 30.300 0.048 0.000 1.091 575 R HN 0.185 nan 8.270 nan 0.000 0.540 576 D N 1.809 122.239 120.400 0.050 0.000 2.383 576 D HA 0.036 4.666 4.640 -0.017 0.000 0.252 576 D C 0.443 176.781 176.300 0.064 0.000 1.166 576 D CA -0.056 53.975 54.000 0.052 0.000 0.879 576 D CB 0.589 41.415 40.800 0.044 0.000 1.164 576 D HN 0.548 nan 8.370 nan 0.000 0.462 577 I N -0.148 120.464 120.570 0.071 0.000 4.050 577 I HA 0.338 4.498 4.170 -0.017 0.000 0.327 577 I C 0.153 176.318 176.117 0.080 0.000 1.473 577 I CA -0.516 60.835 61.300 0.084 0.000 1.124 577 I CB 0.496 38.556 38.000 0.100 0.000 1.129 577 I HN 0.059 nan 8.210 nan 0.000 0.428 578 D N 2.926 123.366 120.400 0.068 0.000 2.494 578 D HA 0.374 5.003 4.640 -0.017 0.000 0.217 578 D C 1.054 177.390 176.300 0.061 0.000 1.153 578 D CA 0.445 54.483 54.000 0.064 0.000 0.954 578 D CB 0.424 41.256 40.800 0.054 0.000 1.034 578 D HN 0.549 nan 8.370 nan 0.000 0.518 579 G N 3.164 112.005 108.800 0.069 0.000 2.370 579 G HA2 -0.173 3.777 3.960 -0.017 0.000 0.268 579 G HA3 -0.173 3.777 3.960 -0.017 0.000 0.268 579 G C -0.120 174.823 174.900 0.071 0.000 1.122 579 G CA -0.337 44.803 45.100 0.067 0.000 0.963 579 G HN 0.473 nan 8.290 nan 0.000 0.500 580 Q N -0.770 119.079 119.800 0.082 0.000 2.687 580 Q HA 0.377 4.706 4.340 -0.017 0.000 0.305 580 Q C -1.061 175.001 176.000 0.103 0.000 1.006 580 Q CA -0.931 54.921 55.803 0.082 0.000 0.763 580 Q CB 0.939 29.719 28.738 0.071 0.000 1.506 580 Q HN 0.206 nan 8.270 nan 0.000 0.459 581 D N 2.011 122.460 120.400 0.081 0.000 2.359 581 D HA 0.264 4.894 4.640 -0.017 0.000 0.250 581 D C -0.333 176.038 176.300 0.118 0.000 1.264 581 D CA 0.086 54.128 54.000 0.069 0.000 0.911 581 D CB -0.386 40.340 40.800 -0.123 0.000 1.056 581 D HN 0.414 nan 8.370 nan 0.000 0.499 582 I N -0.061 120.593 120.570 0.140 0.000 2.910 582 I HA 0.676 4.835 4.170 -0.017 0.000 0.310 582 I C -0.864 175.327 176.117 0.123 0.000 1.043 582 I CA -1.044 60.342 61.300 0.143 0.000 1.053 582 I CB 2.154 40.232 38.000 0.130 0.000 1.242 582 I HN -0.124 nan 8.210 nan 0.000 0.452 583 V N 3.756 123.742 119.914 0.119 0.000 2.638 583 V HA 0.404 4.514 4.120 -0.017 0.000 0.306 583 V C -0.163 175.920 176.094 -0.020 0.000 1.052 583 V CA -0.666 61.621 62.300 -0.022 0.000 0.885 583 V CB 1.834 33.583 31.823 -0.123 0.000 0.999 583 V HN 0.570 nan 8.190 nan 0.000 0.424 584 V N 3.742 123.578 119.914 -0.129 0.000 2.427 584 V HA 0.456 4.566 4.120 -0.017 0.000 0.286 584 V C -1.101 174.918 176.094 -0.124 0.000 1.034 584 V CA -0.449 61.843 62.300 -0.014 0.000 0.893 584 V CB 1.562 33.377 31.823 -0.014 0.000 0.982 584 V HN 0.917 nan 8.190 nan 0.000 0.452 585 W N 4.126 125.472 121.300 0.077 0.000 2.336 585 W HA 0.505 5.155 4.660 -0.017 0.000 0.315 585 W C -0.162 176.453 176.519 0.161 0.000 1.016 585 W CA -0.646 56.748 57.345 0.082 0.000 1.318 585 W CB 0.497 29.979 29.460 0.035 0.000 1.247 585 W HN 0.599 nan 8.180 nan 0.000 0.414 586 H N 1.672 120.828 119.070 0.144 0.000 2.504 586 H HA 0.507 5.053 4.556 -0.017 0.000 0.322 586 H C -0.345 175.169 175.328 0.310 0.000 1.055 586 H CA -0.261 55.839 56.048 0.087 0.000 1.231 586 H CB 1.001 30.616 29.762 -0.246 0.000 1.417 586 H HN 0.170 nan 8.280 nan 0.000 0.472 587 T N 7.334 121.907 114.554 0.031 0.000 2.771 587 T HA 0.423 4.763 4.350 -0.017 0.000 0.291 587 T C -1.005 173.618 174.700 -0.128 0.000 0.954 587 T CA -0.221 61.915 62.100 0.060 0.000 1.045 587 T CB -0.323 68.675 68.868 0.218 0.000 0.917 587 T HN 0.496 nan 8.240 nan 0.000 0.484 588 F N -0.044 119.814 119.950 -0.152 0.000 2.628 588 F HA 0.847 5.364 4.527 -0.017 0.000 0.309 588 F C -0.261 175.644 175.800 0.175 0.000 1.108 588 F CA -1.186 56.782 58.000 -0.053 0.000 0.971 588 F CB 1.052 39.986 39.000 -0.111 0.000 1.279 588 F HN 0.797 nan 8.300 nan 0.000 0.441 589 G N 1.612 110.517 108.800 0.175 0.000 2.550 589 G HA2 0.587 4.537 3.960 -0.017 0.000 0.293 589 G HA3 0.587 4.537 3.960 -0.017 0.000 0.293 589 G C -2.497 172.504 174.900 0.169 0.000 1.402 589 G CA -1.122 44.077 45.100 0.166 0.000 0.784 589 G HN 0.836 nan 8.290 nan 0.000 0.482 590 L N 0.381 121.698 121.223 0.156 0.000 2.325 590 L HA 0.599 4.928 4.340 -0.017 0.000 0.278 590 L C -0.085 176.773 176.870 -0.019 0.000 1.023 590 L CA -0.670 54.227 54.840 0.094 0.000 0.811 590 L CB 2.357 44.489 42.059 0.122 0.000 1.249 590 L HN 0.434 nan 8.230 nan 0.000 0.431 591 T N 0.904 115.401 114.554 -0.096 0.000 2.770 591 T HA 0.233 4.572 4.350 -0.017 0.000 0.297 591 T C -0.664 173.807 174.700 -0.383 0.000 0.997 591 T CA -0.255 61.670 62.100 -0.292 0.000 0.949 591 T CB 0.084 68.800 68.868 -0.253 0.000 0.941 591 T HN 0.419 nan 8.240 nan 0.000 0.457 592 H N 3.171 121.823 119.070 -0.698 0.000 2.581 592 H HA 0.389 4.935 4.556 -0.017 0.000 0.308 592 H C -1.099 173.762 175.328 -0.778 0.000 1.040 592 H CA -1.063 54.607 56.048 -0.630 0.000 1.231 592 H CB 0.332 29.738 29.762 -0.593 0.000 1.396 592 H HN 0.436 nan 8.280 nan 0.000 0.467 593 F N 6.657 126.535 119.950 -0.119 0.000 2.307 593 F HA 0.275 4.792 4.527 -0.017 0.000 0.369 593 F C -2.037 173.746 175.800 -0.027 0.000 1.076 593 F CA -2.569 55.227 58.000 -0.341 0.000 1.149 593 F CB 0.802 39.489 39.000 -0.521 0.000 1.410 593 F HN 0.520 nan 8.300 nan 0.000 0.481 594 P HA 0.016 nan 4.420 nan 0.000 0.263 594 P C -0.301 177.115 177.300 0.193 0.000 1.175 594 P CA 0.360 63.497 63.100 0.060 0.000 0.761 594 P CB 0.577 32.280 31.700 0.005 0.000 0.794 595 R N 1.747 122.377 120.500 0.217 0.000 2.758 595 R HA 0.351 4.681 4.340 -0.017 0.000 0.265 595 R C 1.160 177.551 176.300 0.152 0.000 1.016 595 R CA -1.013 55.183 56.100 0.161 0.000 1.040 595 R CB 0.484 30.872 30.300 0.147 0.000 1.152 595 R HN 0.106 nan 8.270 nan 0.000 0.503 596 V N 1.304 121.284 119.914 0.111 0.000 2.490 596 V HA -0.200 3.909 4.120 -0.017 0.000 0.250 596 V C 1.389 177.583 176.094 0.166 0.000 1.061 596 V CA 1.801 64.175 62.300 0.124 0.000 1.064 596 V CB -0.538 31.331 31.823 0.076 0.000 0.670 596 V HN 0.693 nan 8.190 nan 0.000 0.461 597 E N 0.077 120.355 120.200 0.130 0.000 2.401 597 E HA -0.160 4.180 4.350 -0.017 0.000 0.199 597 E C 1.589 178.266 176.600 0.129 0.000 1.023 597 E CA 0.823 57.289 56.400 0.111 0.000 0.859 597 E CB -0.240 29.508 29.700 0.080 0.000 0.780 597 E HN 0.581 nan 8.360 nan 0.000 0.523 598 D N -1.034 119.479 120.400 0.189 0.000 2.355 598 D HA -0.061 4.569 4.640 -0.017 0.000 0.218 598 D C -0.192 176.255 176.300 0.245 0.000 1.004 598 D CA 0.265 54.392 54.000 0.212 0.000 0.880 598 D CB 0.132 41.113 40.800 0.302 0.000 0.911 598 D HN 0.217 nan 8.370 nan 0.000 0.528 599 W N 2.373 123.704 121.300 0.053 0.000 2.606 599 W HA 0.216 4.866 4.660 -0.017 0.000 0.332 599 W C -1.897 174.653 176.519 0.052 0.000 1.052 599 W CA -1.943 55.432 57.345 0.050 0.000 1.223 599 W CB 2.049 31.538 29.460 0.049 0.000 1.383 599 W HN -0.199 nan 8.180 nan 0.000 0.524 600 P HA 0.070 nan 4.420 nan 0.000 0.240 600 P C -0.191 176.657 177.300 -0.753 0.000 1.190 600 P CA 0.653 62.835 63.100 -1.530 0.000 0.781 600 P CB 1.217 32.289 31.700 -1.047 0.000 0.931 601 I N 0.819 121.130 120.570 -0.432 0.000 2.569 601 I HA 0.305 4.465 4.170 -0.017 0.000 0.290 601 I C -0.381 175.605 176.117 -0.220 0.000 1.088 601 I CA -2.033 59.005 61.300 -0.436 0.000 1.047 601 I CB 1.977 39.490 38.000 -0.812 0.000 1.237 601 I HN -0.200 nan 8.210 nan 0.000 0.421 602 M N 9.252 128.773 119.600 -0.132 0.000 2.216 602 M HA 0.654 5.124 4.480 -0.017 0.000 0.356 602 M C -2.547 173.720 176.300 -0.054 0.000 1.205 602 M CA -1.261 54.021 55.300 -0.030 0.000 1.122 602 M CB 1.014 33.654 32.600 0.066 0.000 1.571 602 M HN 0.309 nan 8.290 nan 0.000 0.464 603 P HA 0.117 nan 4.420 nan 0.000 0.274 603 P C -0.508 176.776 177.300 -0.026 0.000 1.231 603 P CA -0.419 62.661 63.100 -0.032 0.000 0.790 603 P CB 0.886 32.576 31.700 -0.017 0.000 0.951 604 V N 2.753 122.654 119.914 -0.021 0.000 2.673 604 V HA -0.010 4.100 4.120 -0.017 0.000 0.303 604 V C 0.754 176.825 176.094 -0.038 0.000 1.046 604 V CA 1.067 63.358 62.300 -0.015 0.000 1.126 604 V CB -0.021 31.808 31.823 0.010 0.000 0.934 604 V HN 0.645 nan 8.190 nan 0.000 0.487 605 D N 2.291 122.656 120.400 -0.059 0.000 2.433 605 D HA 0.708 5.338 4.640 -0.017 0.000 0.236 605 D C -0.254 176.006 176.300 -0.067 0.000 1.026 605 D CA -0.174 53.785 54.000 -0.069 0.000 0.884 605 D CB 2.351 43.084 40.800 -0.113 0.000 1.384 605 D HN 0.723 nan 8.370 nan 0.000 0.477 606 T N -1.519 113.005 114.554 -0.050 0.000 2.901 606 T HA 0.786 5.126 4.350 -0.017 0.000 0.293 606 T C -0.890 173.818 174.700 0.014 0.000 1.084 606 T CA -0.813 61.251 62.100 -0.060 0.000 1.008 606 T CB 1.515 70.332 68.868 -0.084 0.000 1.170 606 T HN 0.286 nan 8.240 nan 0.000 0.509 607 V N -0.586 119.326 119.914 -0.003 0.000 3.236 607 V HA 0.822 4.932 4.120 -0.017 0.000 0.287 607 V C -0.271 175.805 176.094 -0.031 0.000 1.491 607 V CA 0.537 62.919 62.300 0.136 0.000 1.037 607 V CB 1.619 33.575 31.823 0.222 0.000 1.160 607 V HN 1.720 nan 8.190 nan 0.000 0.453 608 G N 2.692 111.332 108.800 -0.266 0.000 0.000 608 G HA2 0.731 4.681 3.960 -0.017 0.000 0.000 608 G HA3 0.731 4.681 3.960 -0.017 0.000 0.000 608 G C -1.375 172.968 174.900 -0.929 0.000 0.000 608 G CA 0.296 45.037 45.100 -0.597 0.000 0.000 608 G HN 2.024 nan 8.290 nan 0.000 0.000 609 F N -0.946 118.637 119.950 -0.612 0.000 2.842 609 F HA 0.824 5.340 4.527 -0.018 0.000 0.319 609 F C -1.159 174.614 175.800 -0.045 0.000 1.159 609 F CA -0.883 56.930 58.000 -0.311 0.000 0.902 609 F CB 1.298 40.126 39.000 -0.287 0.000 1.311 609 F HN 0.849 nan 8.300 nan 0.000 0.453 610 K N 0.909 121.479 120.400 0.282 0.000 2.555 610 K HA 0.844 5.154 4.320 -0.017 0.000 0.279 610 K C -2.490 174.354 176.600 0.408 0.000 0.986 610 K CA -1.060 55.375 56.287 0.246 0.000 0.880 610 K CB 2.604 35.207 32.500 0.172 0.000 1.474 610 K HN 0.713 nan 8.250 nan 0.000 0.433 611 L N 1.392 122.853 121.223 0.397 0.000 2.381 611 L HA 0.559 4.889 4.340 -0.017 0.000 0.274 611 L C -0.558 176.591 176.870 0.466 0.000 0.988 611 L CA -0.541 54.563 54.840 0.440 0.000 0.824 611 L CB 2.044 44.370 42.059 0.444 0.000 1.263 611 L HN 0.572 nan 8.230 nan 0.000 0.410 612 R N 3.159 123.866 120.500 0.345 0.000 2.711 612 R HA 0.577 4.906 4.340 -0.017 0.000 0.284 612 R C -2.571 173.536 176.300 -0.321 0.000 0.968 612 R CA -1.886 54.292 56.100 0.129 0.000 0.924 612 R CB 1.821 32.200 30.300 0.133 0.000 1.162 612 R HN 0.307 nan 8.270 nan 0.000 0.465 613 P HA -0.006 nan 4.420 nan 0.000 0.268 613 P C -0.757 176.341 177.300 -0.337 0.000 1.205 613 P CA 0.099 62.593 63.100 -1.009 0.000 0.771 613 P CB 0.796 32.219 31.700 -0.461 0.000 0.858 614 E N 1.811 121.869 120.200 -0.236 0.000 2.675 614 E HA 0.436 4.776 4.350 -0.017 0.000 0.236 614 E C 0.661 177.260 176.600 -0.001 0.000 1.059 614 E CA -0.422 55.943 56.400 -0.058 0.000 0.775 614 E CB -0.537 29.147 29.700 -0.027 0.000 1.356 614 E HN 0.682 nan 8.360 nan 0.000 0.403 615 G N 3.515 112.328 108.800 0.021 0.000 2.179 615 G HA2 -0.366 3.583 3.960 -0.017 0.000 0.257 615 G HA3 -0.366 3.583 3.960 -0.017 0.000 0.257 615 G C 0.514 175.427 174.900 0.021 0.000 1.010 615 G CA 0.461 45.577 45.100 0.026 0.000 0.736 615 G HN 0.543 nan 8.290 nan 0.000 0.513 616 F N 0.067 119.910 119.950 -0.179 0.000 2.187 616 F HA 0.458 4.974 4.527 -0.017 0.000 0.295 616 F C 1.320 176.848 175.800 -0.452 0.000 1.091 616 F CA 0.542 58.340 58.000 -0.338 0.000 1.308 616 F CB 0.029 38.724 39.000 -0.510 0.000 1.030 616 F HN 0.119 nan 8.300 nan 0.000 0.487 617 F N 0.367 120.322 119.950 0.009 0.000 2.411 617 F HA 0.233 4.749 4.527 -0.018 0.000 0.324 617 F C 1.348 177.102 175.800 -0.076 0.000 1.086 617 F CA -0.773 57.179 58.000 -0.079 0.000 1.028 617 F CB 0.333 39.302 39.000 -0.052 0.000 1.284 617 F HN -0.278 nan 8.300 nan 0.000 0.501 618 D N 0.213 120.692 120.400 0.133 0.000 2.340 618 D HA 0.085 4.715 4.640 -0.017 0.000 0.220 618 D C 0.254 176.585 176.300 0.051 0.000 1.039 618 D CA 0.524 54.555 54.000 0.052 0.000 0.866 618 D CB 0.231 41.044 40.800 0.022 0.000 0.913 618 D HN 0.526 nan 8.370 nan 0.000 0.523 619 R N -2.280 118.266 120.500 0.077 0.000 2.979 619 R HA 0.185 4.515 4.340 -0.017 0.000 0.286 619 R C -0.759 175.541 176.300 -0.001 0.000 0.972 619 R CA -0.767 55.349 56.100 0.027 0.000 0.828 619 R CB 0.264 30.567 30.300 0.005 0.000 1.368 619 R HN -0.161 nan 8.270 nan 0.000 0.511 620 S N 0.940 116.615 115.700 -0.041 0.000 2.563 620 S HA 0.116 4.576 4.470 -0.017 0.000 0.294 620 S C -1.302 173.194 174.600 -0.175 0.000 1.279 620 S CA -0.733 57.409 58.200 -0.096 0.000 1.069 620 S CB 0.471 63.633 63.200 -0.062 0.000 0.828 620 S HN 0.523 nan 8.310 nan 0.000 0.497 621 P HA 0.123 nan 4.420 nan 0.000 0.257 621 P C 0.526 177.715 177.300 -0.185 0.000 1.281 621 P CA 0.174 63.002 63.100 -0.453 0.000 0.826 621 P CB -0.146 30.805 31.700 -1.248 0.000 1.237 622 V N -3.988 115.865 119.914 -0.103 0.000 3.121 622 V HA 0.242 4.351 4.120 -0.017 0.000 0.344 622 V C 1.566 177.680 176.094 0.034 0.000 1.390 622 V CA -0.085 62.208 62.300 -0.012 0.000 1.177 622 V CB -0.801 31.039 31.823 0.028 0.000 1.163 622 V HN -0.127 nan 8.190 nan 0.000 0.484 623 L N 1.307 122.541 121.223 0.018 0.000 2.376 623 L HA 0.024 4.354 4.340 -0.017 0.000 0.219 623 L C 1.997 178.908 176.870 0.067 0.000 1.133 623 L CA 1.469 56.342 54.840 0.056 0.000 0.816 623 L CB -0.262 41.808 42.059 0.018 0.000 0.933 623 L HN 0.573 nan 8.230 nan 0.000 0.449 624 D N -0.768 119.652 120.400 0.033 0.000 2.325 624 D HA 0.006 4.636 4.640 -0.017 0.000 0.225 624 D C 0.497 176.806 176.300 0.014 0.000 1.096 624 D CA 0.002 54.015 54.000 0.023 0.000 0.844 624 D CB -0.195 40.608 40.800 0.004 0.000 0.925 624 D HN -0.026 nan 8.370 nan 0.000 0.513 625 V N 3.111 123.041 119.914 0.027 0.000 2.488 625 V HA 0.231 4.340 4.120 -0.017 0.000 0.277 625 V C -1.667 174.425 176.094 -0.002 0.000 1.046 625 V CA -1.262 61.043 62.300 0.008 0.000 0.986 625 V CB 1.147 32.982 31.823 0.021 0.000 0.989 625 V HN 0.160 nan 8.190 nan 0.000 0.475 626 P HA 0.198 nan 4.420 nan 0.000 0.274 626 P C 0.640 177.902 177.300 -0.062 0.000 1.237 626 P CA -0.017 63.065 63.100 -0.030 0.000 0.793 626 P CB 1.104 32.791 31.700 -0.021 0.000 0.977 627 A N 3.766 126.539 122.820 -0.079 0.000 1.891 627 A HA -0.269 4.040 4.320 -0.017 0.000 0.221 627 A C 1.197 178.729 177.584 -0.087 0.000 1.394 627 A CA 1.843 53.815 52.037 -0.109 0.000 0.730 627 A CB -2.033 16.921 19.000 -0.076 0.000 0.845 627 A HN 0.778 nan 8.150 nan 0.000 0.471 628 N N 0.000 118.670 118.700 -0.050 0.000 1.763 628 N HA 0.000 4.730 4.740 -0.017 0.000 0.220 628 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 628 N CB 0.000 38.478 38.487 -0.016 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667