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 2zl8_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 0.000 177.579 177.584 -0.009 0.000 1.274 9 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 9 A CB 0.000 19.001 19.000 0.002 0.000 0.831 10 S N 2.364 118.067 115.700 0.005 0.000 2.531 10 S HA 0.430 4.889 4.470 -0.018 0.000 0.279 10 S C -1.228 173.353 174.600 -0.031 0.000 1.305 10 S CA -0.620 57.594 58.200 0.024 0.000 1.058 10 S CB 0.960 64.209 63.200 0.082 0.000 0.899 10 S HN 0.366 nan 8.310 nan 0.000 0.493 11 P HA 0.024 nan 4.420 nan 0.000 0.234 11 P C 0.246 177.232 177.300 -0.522 0.000 1.167 11 P CA 0.713 63.611 63.100 -0.336 0.000 0.763 11 P CB -0.090 31.340 31.700 -0.450 0.000 0.835 12 F N 0.563 120.442 119.950 -0.117 0.000 2.641 12 F HA 0.212 4.728 4.527 -0.017 0.000 0.302 12 F C 1.562 177.284 175.800 -0.129 0.000 1.098 12 F CA -0.745 57.133 58.000 -0.203 0.000 1.318 12 F CB -0.192 38.675 39.000 -0.220 0.000 1.035 12 F HN -0.153 nan 8.300 nan 0.000 0.551 13 R N 0.520 121.045 120.500 0.043 0.000 2.738 13 R HA 0.311 4.640 4.340 -0.018 0.000 0.268 13 R C -0.124 176.195 176.300 0.032 0.000 1.062 13 R CA -0.541 55.591 56.100 0.053 0.000 1.158 13 R CB 0.444 30.768 30.300 0.040 0.000 1.046 13 R HN 0.122 nan 8.270 nan 0.000 0.493 14 L N 1.359 122.615 121.223 0.054 0.000 2.483 14 L HA 0.141 4.470 4.340 -0.018 0.000 0.275 14 L C 0.758 177.666 176.870 0.063 0.000 1.220 14 L CA -0.199 54.676 54.840 0.058 0.000 0.833 14 L CB 0.472 42.566 42.059 0.059 0.000 1.102 14 L HN 0.851 nan 8.230 nan 0.000 0.490 15 A N 2.136 125.007 122.820 0.085 0.000 2.462 15 A HA 0.386 4.695 4.320 -0.018 0.000 0.243 15 A C 0.283 177.940 177.584 0.121 0.000 1.076 15 A CA -0.179 51.958 52.037 0.167 0.000 0.773 15 A CB 0.196 19.350 19.000 0.257 0.000 1.010 15 A HN 0.747 nan 8.150 nan 0.000 0.493 16 S N 1.163 116.930 115.700 0.112 0.000 2.690 16 S HA 0.624 5.083 4.470 -0.018 0.000 0.291 16 S C 1.118 175.735 174.600 0.028 0.000 1.138 16 S CA -0.178 58.055 58.200 0.054 0.000 1.013 16 S CB 1.552 64.775 63.200 0.038 0.000 1.053 16 S HN 1.598 nan 8.310 nan 0.000 0.539 17 A N 1.684 124.510 122.820 0.010 0.000 1.940 17 A HA 0.110 4.420 4.320 -0.018 0.000 0.219 17 A C 2.120 179.686 177.584 -0.029 0.000 1.176 17 A CA 1.868 53.901 52.037 -0.007 0.000 0.631 17 A CB -1.795 17.201 19.000 -0.006 0.000 0.814 17 A HN 1.189 nan 8.150 nan 0.000 0.446 18 G N -0.557 108.228 108.800 -0.025 0.000 2.418 18 G HA2 -0.223 3.726 3.960 -0.018 0.000 0.217 18 G HA3 -0.223 3.726 3.960 -0.018 0.000 0.217 18 G C 1.434 176.286 174.900 -0.080 0.000 1.158 18 G CA 0.989 46.065 45.100 -0.041 0.000 0.771 18 G HN 0.659 nan 8.290 nan 0.000 0.545 19 E N -0.027 120.122 120.200 -0.086 0.000 2.077 19 E HA -0.079 4.260 4.350 -0.018 0.000 0.193 19 E C 2.528 178.899 176.600 -0.381 0.000 0.989 19 E CA 0.676 56.955 56.400 -0.201 0.000 0.800 19 E CB -0.155 29.494 29.700 -0.085 0.000 0.746 19 E HN 0.492 nan 8.360 nan 0.000 0.452 20 I N 0.746 121.159 120.570 -0.262 0.000 2.226 20 I HA -0.253 3.907 4.170 -0.018 0.000 0.245 20 I C 2.408 178.411 176.117 -0.189 0.000 1.100 20 I CA 0.793 61.941 61.300 -0.254 0.000 1.374 20 I CB -0.165 37.774 38.000 -0.101 0.000 1.057 20 I HN -0.010 nan 8.210 nan 0.000 0.413 21 S N 0.058 115.683 115.700 -0.124 0.000 2.399 21 S HA -0.213 4.247 4.470 -0.018 0.000 0.231 21 S C 1.890 176.428 174.600 -0.104 0.000 1.022 21 S CA 1.352 59.500 58.200 -0.087 0.000 0.983 21 S CB -0.190 62.975 63.200 -0.057 0.000 0.803 21 S HN 0.375 nan 8.310 nan 0.000 0.480 22 E N 1.174 121.291 120.200 -0.139 0.000 2.072 22 E HA -0.059 4.280 4.350 -0.018 0.000 0.191 22 E C 1.901 178.407 176.600 -0.157 0.000 0.985 22 E CA 0.823 57.144 56.400 -0.133 0.000 0.801 22 E CB -0.339 29.278 29.700 -0.139 0.000 0.750 22 E HN 0.230 nan 8.360 nan 0.000 0.452 23 V N 0.983 120.746 119.914 -0.252 0.000 2.332 23 V HA -0.298 3.812 4.120 -0.018 0.000 0.248 23 V C 2.581 178.600 176.094 -0.124 0.000 1.055 23 V CA 2.279 64.437 62.300 -0.237 0.000 1.038 23 V CB -0.640 30.956 31.823 -0.377 0.000 0.651 23 V HN 0.422 nan 8.190 nan 0.000 0.450 24 Q N 0.058 119.794 119.800 -0.107 0.000 2.096 24 Q HA -0.195 4.135 4.340 -0.018 0.000 0.204 24 Q C 2.238 178.216 176.000 -0.036 0.000 0.982 24 Q CA 2.163 57.936 55.803 -0.049 0.000 0.850 24 Q CB -0.490 28.229 28.738 -0.032 0.000 0.901 24 Q HN 0.656 nan 8.270 nan 0.000 0.422 25 G N 1.124 109.895 108.800 -0.049 0.000 2.418 25 G HA2 -0.196 3.754 3.960 -0.018 0.000 0.217 25 G HA3 -0.196 3.754 3.960 -0.018 0.000 0.217 25 G C 1.407 176.289 174.900 -0.031 0.000 1.158 25 G CA 0.718 45.797 45.100 -0.036 0.000 0.771 25 G HN 0.313 nan 8.290 nan 0.000 0.545 26 I N 0.894 121.439 120.570 -0.041 0.000 2.226 26 I HA -0.064 4.095 4.170 -0.018 0.000 0.245 26 I C 2.834 178.942 176.117 -0.014 0.000 1.100 26 I CA 0.790 62.073 61.300 -0.029 0.000 1.374 26 I CB -1.155 36.823 38.000 -0.037 0.000 1.057 26 I HN 0.163 nan 8.210 nan 0.000 0.413 27 L N 0.030 121.245 121.223 -0.014 0.000 2.046 27 L HA -0.186 4.143 4.340 -0.018 0.000 0.208 27 L C 2.826 179.699 176.870 0.005 0.000 1.077 27 L CA 1.297 56.138 54.840 0.002 0.000 0.747 27 L CB -0.587 41.477 42.059 0.008 0.000 0.896 27 L HN 0.165 nan 8.230 nan 0.000 0.432 28 R N -0.602 119.898 120.500 0.001 0.000 2.073 28 R HA -0.135 4.194 4.340 -0.018 0.000 0.234 28 R C 2.311 178.611 176.300 -0.000 0.000 1.134 28 R CA 1.937 58.039 56.100 0.003 0.000 0.952 28 R CB -0.628 29.672 30.300 0.001 0.000 0.850 28 R HN 0.308 nan 8.270 nan 0.000 0.433 29 T N 0.664 115.216 114.554 -0.004 0.000 2.759 29 T HA -0.135 4.205 4.350 -0.018 0.000 0.269 29 T C 1.715 176.415 174.700 -0.001 0.000 1.042 29 T CA 1.443 63.541 62.100 -0.005 0.000 1.140 29 T CB -0.143 68.721 68.868 -0.008 0.000 0.864 29 T HN 0.370 nan 8.240 nan 0.000 0.455 30 A N 0.284 123.105 122.820 0.001 0.000 2.235 30 A HA 0.479 4.789 4.320 -0.018 0.000 0.208 30 A C 1.888 179.475 177.584 0.005 0.000 1.172 30 A CA 0.862 52.901 52.037 0.004 0.000 0.786 30 A CB -0.804 18.201 19.000 0.009 0.000 0.804 30 A HN 0.754 nan 8.150 nan 0.000 0.479 31 G N -1.256 107.547 108.800 0.005 0.000 2.147 31 G HA2 -0.234 3.715 3.960 -0.018 0.000 0.244 31 G HA3 -0.234 3.715 3.960 -0.018 0.000 0.244 31 G C 0.502 175.406 174.900 0.007 0.000 1.005 31 G CA 0.488 45.591 45.100 0.004 0.000 0.713 31 G HN 0.527 nan 8.290 nan 0.000 0.515 32 L N -1.331 119.899 121.223 0.012 0.000 2.640 32 L HA 0.478 4.808 4.340 -0.018 0.000 0.230 32 L C 1.027 177.910 176.870 0.022 0.000 1.123 32 L CA 0.068 54.918 54.840 0.017 0.000 0.900 32 L CB 0.584 42.658 42.059 0.025 0.000 1.146 32 L HN 0.193 nan 8.230 nan 0.000 0.484 33 L N 0.587 121.823 121.223 0.021 0.000 2.625 33 L HA 0.506 4.835 4.340 -0.018 0.000 0.255 33 L C 0.575 177.466 176.870 0.035 0.000 1.493 33 L CA -0.168 54.691 54.840 0.032 0.000 0.796 33 L CB 0.519 42.600 42.059 0.036 0.000 1.064 33 L HN -0.053 nan 8.230 nan 0.000 0.516 34 G N 0.635 109.450 108.800 0.025 0.000 2.588 34 G HA2 0.323 4.272 3.960 -0.018 0.000 0.278 34 G HA3 0.323 4.272 3.960 -0.018 0.000 0.278 34 G C -1.710 173.215 174.900 0.042 0.000 1.307 34 G CA -0.801 44.313 45.100 0.023 0.000 1.016 34 G HN 0.359 nan 8.290 nan 0.000 0.503 35 P HA -0.086 nan 4.420 nan 0.000 0.217 35 P C 1.055 178.399 177.300 0.073 0.000 1.148 35 P CA 1.337 64.469 63.100 0.053 0.000 0.828 35 P CB 0.158 31.872 31.700 0.024 0.000 0.783 36 E N -1.475 118.746 120.200 0.036 0.000 2.489 36 E HA 0.032 4.371 4.350 -0.018 0.000 0.193 36 E C 0.358 176.950 176.600 -0.013 0.000 1.057 36 E CA 0.458 56.865 56.400 0.012 0.000 0.866 36 E CB -0.439 29.247 29.700 -0.022 0.000 0.916 36 E HN 0.159 nan 8.360 nan 0.000 0.500 37 K N 1.393 121.805 120.400 0.020 0.000 2.098 37 K HA 0.435 4.744 4.320 -0.018 0.000 0.261 37 K C 0.078 176.699 176.600 0.035 0.000 0.987 37 K CA -0.592 55.699 56.287 0.005 0.000 0.916 37 K CB 1.201 33.714 32.500 0.022 0.000 1.039 37 K HN -0.077 nan 8.250 nan 0.000 0.455 38 R N 1.485 121.997 120.500 0.021 0.000 2.651 38 R HA 0.451 4.781 4.340 -0.018 0.000 0.278 38 R C -0.218 176.101 176.300 0.031 0.000 1.010 38 R CA -0.706 55.384 56.100 -0.016 0.000 0.896 38 R CB 1.364 31.670 30.300 0.010 0.000 1.211 38 R HN 0.579 nan 8.270 nan 0.000 0.456 39 I N 2.313 122.869 120.570 -0.022 0.000 2.322 39 I HA 0.116 4.275 4.170 -0.018 0.000 0.292 39 I C 1.264 177.399 176.117 0.030 0.000 1.060 39 I CA 0.010 61.322 61.300 0.021 0.000 1.309 39 I CB 1.548 39.538 38.000 -0.018 0.000 1.415 39 I HN 0.733 nan 8.210 nan 0.000 0.492 40 A N 6.773 129.668 122.820 0.125 0.000 2.081 40 A HA 0.006 4.316 4.320 -0.018 0.000 0.214 40 A C 0.313 178.013 177.584 0.194 0.000 1.158 40 A CA 0.861 52.986 52.037 0.146 0.000 0.724 40 A CB 0.217 19.342 19.000 0.208 0.000 0.826 40 A HN 0.683 nan 8.150 nan 0.000 0.463 41 Y N -1.947 118.361 120.300 0.014 0.000 2.521 41 Y HA 0.571 5.110 4.550 -0.018 0.000 0.332 41 Y C -1.785 173.998 175.900 -0.195 0.000 1.121 41 Y CA -1.234 56.768 58.100 -0.165 0.000 1.037 41 Y CB 1.251 39.439 38.460 -0.453 0.000 1.330 41 Y HN 0.167 nan 8.280 nan 0.000 0.452 42 L N 5.269 125.756 121.223 -1.226 0.000 2.543 42 L HA 0.943 5.272 4.340 -0.018 0.000 0.265 42 L C -1.302 175.038 176.870 -0.883 0.000 0.945 42 L CA -0.171 54.178 54.840 -0.818 0.000 0.869 42 L CB 2.009 43.898 42.059 -0.283 0.000 1.294 42 L HN 0.957 nan 8.230 nan 0.000 0.405 43 G N 2.722 111.167 108.800 -0.592 0.000 2.698 43 G HA2 0.474 4.424 3.960 -0.018 0.000 0.293 43 G HA3 0.474 4.424 3.960 -0.018 0.000 0.293 43 G C -1.921 172.760 174.900 -0.364 0.000 1.437 43 G CA -0.521 44.377 45.100 -0.337 0.000 0.852 43 G HN 0.516 nan 8.290 nan 0.000 0.499 44 V N 1.407 120.947 119.914 -0.624 0.000 2.686 44 V HA 0.578 4.688 4.120 -0.018 0.000 0.295 44 V C 0.179 176.003 176.094 -0.450 0.000 1.055 44 V CA -0.486 61.186 62.300 -1.046 0.000 1.050 44 V CB 0.777 31.984 31.823 -1.027 0.000 0.984 44 V HN 0.565 nan 8.190 nan 0.000 0.482 45 L N 5.316 126.317 121.223 -0.370 0.000 2.334 45 L HA 0.460 4.790 4.340 -0.018 0.000 0.277 45 L C 0.048 176.813 176.870 -0.176 0.000 1.075 45 L CA -0.766 53.970 54.840 -0.174 0.000 0.804 45 L CB 1.041 43.039 42.059 -0.102 0.000 1.174 45 L HN 0.601 nan 8.230 nan 0.000 0.438 46 D N 2.438 122.783 120.400 -0.091 0.000 2.362 46 D HA 0.194 4.824 4.640 -0.018 0.000 0.242 46 D C -2.017 174.202 176.300 -0.135 0.000 1.132 46 D CA -0.850 53.094 54.000 -0.092 0.000 0.907 46 D CB 0.394 41.248 40.800 0.090 0.000 1.195 46 D HN 0.245 nan 8.370 nan 0.000 0.429 47 P HA 0.144 nan 4.420 nan 0.000 0.268 47 P C -0.727 176.529 177.300 -0.073 0.000 1.208 47 P CA -0.127 62.847 63.100 -0.210 0.000 0.777 47 P CB 0.492 31.981 31.700 -0.352 0.000 0.875 48 A N 3.033 125.822 122.820 -0.053 0.000 2.366 48 A HA 0.237 4.547 4.320 -0.018 0.000 0.249 48 A C 0.443 178.011 177.584 -0.028 0.000 1.084 48 A CA -0.293 51.733 52.037 -0.019 0.000 0.794 48 A CB 0.130 19.122 19.000 -0.014 0.000 1.034 48 A HN 0.390 nan 8.150 nan 0.000 0.491 49 R N 0.292 120.760 120.500 -0.053 0.000 2.570 49 R HA 0.386 4.716 4.340 -0.018 0.000 0.277 49 R C 0.902 177.173 176.300 -0.048 0.000 1.039 49 R CA 1.367 57.398 56.100 -0.114 0.000 1.065 49 R CB -0.434 29.730 30.300 -0.227 0.000 0.964 49 R HN 1.802 nan 8.270 nan 0.000 0.428 50 G N 0.972 109.764 108.800 -0.013 0.000 2.819 50 G HA2 -0.181 3.769 3.960 -0.018 0.000 0.682 50 G HA3 -0.181 3.769 3.960 -0.018 0.000 0.682 50 G C -0.471 174.438 174.900 0.015 0.000 1.481 50 G CA -0.354 44.755 45.100 0.014 0.000 0.904 50 G HN 0.785 nan 8.290 nan 0.000 0.563 51 A N 1.454 124.286 122.820 0.020 0.000 2.666 51 A HA 0.667 4.976 4.320 -0.018 0.000 0.301 51 A C 1.492 179.077 177.584 0.003 0.000 1.470 51 A CA 1.264 53.309 52.037 0.012 0.000 1.159 51 A CB -0.283 18.727 19.000 0.016 0.000 1.116 51 A HN 2.214 nan 8.150 nan 0.000 0.548 52 G N 1.223 110.020 108.800 -0.005 0.000 2.558 52 G HA2 0.191 4.140 3.960 -0.018 0.000 0.218 52 G HA3 0.191 4.140 3.960 -0.018 0.000 0.218 52 G C 0.719 175.615 174.900 -0.008 0.000 1.567 52 G CA 0.357 45.453 45.100 -0.007 0.000 0.950 52 G HN 0.630 nan 8.290 nan 0.000 0.517 53 S N 0.653 116.345 115.700 -0.013 0.000 2.558 53 S HA 0.039 4.498 4.470 -0.018 0.000 0.288 53 S C 1.304 175.898 174.600 -0.011 0.000 1.318 53 S CA 0.085 58.277 58.200 -0.013 0.000 1.056 53 S CB 1.516 64.705 63.200 -0.018 0.000 0.853 53 S HN 0.580 nan 8.310 nan 0.000 0.505 54 E N 1.429 121.625 120.200 -0.008 0.000 2.219 54 E HA -0.154 4.185 4.350 -0.018 0.000 0.198 54 E C 0.684 177.279 176.600 -0.009 0.000 0.998 54 E CA 1.127 57.524 56.400 -0.006 0.000 0.818 54 E CB 0.123 29.821 29.700 -0.004 0.000 0.741 54 E HN 0.700 nan 8.360 nan 0.000 0.477 55 A N 0.384 123.196 122.820 -0.013 0.000 2.539 55 A HA 0.402 4.712 4.320 -0.018 0.000 0.272 55 A C -0.975 176.591 177.584 -0.029 0.000 1.286 55 A CA -0.516 51.510 52.037 -0.018 0.000 0.792 55 A CB 0.710 19.701 19.000 -0.014 0.000 1.355 55 A HN 0.268 nan 8.150 nan 0.000 0.472 56 E N -0.007 120.171 120.200 -0.036 0.000 2.343 56 E HA 0.455 4.795 4.350 -0.018 0.000 0.269 56 E C -1.369 175.206 176.600 -0.042 0.000 1.047 56 E CA -0.260 56.107 56.400 -0.056 0.000 0.874 56 E CB 1.087 30.746 29.700 -0.068 0.000 1.033 56 E HN 0.363 nan 8.360 nan 0.000 0.409 57 D N 2.128 122.497 120.400 -0.052 0.000 2.389 57 D HA 0.146 4.776 4.640 -0.018 0.000 0.256 57 D C -1.032 175.249 176.300 -0.032 0.000 1.239 57 D CA -0.676 53.307 54.000 -0.028 0.000 0.925 57 D CB 0.560 41.346 40.800 -0.022 0.000 1.145 57 D HN 0.275 nan 8.370 nan 0.000 0.542 58 R N 3.299 123.799 120.500 -0.000 0.000 2.296 58 R HA 0.371 4.700 4.340 -0.018 0.000 0.323 58 R C 0.184 176.554 176.300 0.116 0.000 1.067 58 R CA -0.090 56.029 56.100 0.031 0.000 0.946 58 R CB 0.603 30.971 30.300 0.113 0.000 0.991 58 R HN 0.403 nan 8.270 nan 0.000 0.448 59 R N 2.347 122.871 120.500 0.040 0.000 2.711 59 R HA 0.504 4.833 4.340 -0.018 0.000 0.284 59 R C -0.751 175.579 176.300 0.049 0.000 0.968 59 R CA -0.676 55.491 56.100 0.111 0.000 0.924 59 R CB 1.493 31.811 30.300 0.031 0.000 1.162 59 R HN 0.245 nan 8.270 nan 0.000 0.465 60 F N 0.573 120.509 119.950 -0.023 0.000 2.551 60 F HA 0.479 4.996 4.527 -0.017 0.000 0.316 60 F C 0.269 176.067 175.800 -0.004 0.000 1.089 60 F CA -0.848 57.133 58.000 -0.031 0.000 0.915 60 F CB 1.926 40.894 39.000 -0.053 0.000 1.186 60 F HN 0.194 nan 8.300 nan 0.000 0.456 61 R N 1.937 122.514 120.500 0.129 0.000 2.460 61 R HA 0.866 5.195 4.340 -0.018 0.000 0.303 61 R C -1.878 174.483 176.300 0.102 0.000 0.968 61 R CA -0.528 55.662 56.100 0.151 0.000 0.889 61 R CB 1.466 31.871 30.300 0.175 0.000 1.123 61 R HN 0.546 nan 8.270 nan 0.000 0.455 62 V N 4.449 124.461 119.914 0.164 0.000 2.841 62 V HA 0.507 4.616 4.120 -0.018 0.000 0.310 62 V C -1.156 175.188 176.094 0.417 0.000 1.090 62 V CA -0.862 61.518 62.300 0.134 0.000 0.930 62 V CB 1.951 33.836 31.823 0.103 0.000 1.014 62 V HN 0.562 nan 8.190 nan 0.000 0.425 63 F N 4.284 124.392 119.950 0.263 0.000 2.388 63 F HA 0.604 5.120 4.527 -0.018 0.000 0.358 63 F C -0.057 175.839 175.800 0.160 0.000 1.122 63 F CA -1.779 56.370 58.000 0.248 0.000 1.056 63 F CB 1.414 40.606 39.000 0.320 0.000 1.155 63 F HN 0.152 nan 8.300 nan 0.000 0.461 64 I N 3.792 124.540 120.570 0.297 0.000 2.330 64 I HA 0.167 4.326 4.170 -0.018 0.000 0.289 64 I C 0.078 176.287 176.117 0.153 0.000 1.001 64 I CA -0.530 60.878 61.300 0.179 0.000 1.193 64 I CB 0.914 38.982 38.000 0.113 0.000 1.345 64 I HN 0.563 nan 8.210 nan 0.000 0.461 65 H N 5.904 125.001 119.070 0.045 0.000 2.488 65 H HA 0.398 4.943 4.556 -0.018 0.000 0.347 65 H C -0.994 174.331 175.328 -0.005 0.000 1.174 65 H CA -0.179 55.871 56.048 0.005 0.000 1.307 65 H CB 1.259 31.017 29.762 -0.006 0.000 1.517 65 H HN 0.527 nan 8.280 nan 0.000 0.554 66 D N 3.799 123.708 120.400 -0.819 0.000 2.549 66 D HA 0.081 4.710 4.640 -0.018 0.000 0.251 66 D C 0.924 176.773 176.300 -0.751 0.000 1.153 66 D CA -0.494 53.170 54.000 -0.560 0.000 0.861 66 D CB 1.492 42.132 40.800 -0.267 0.000 1.207 66 D HN 0.490 nan 8.370 nan 0.000 0.543 67 V N 2.185 121.839 119.914 -0.434 0.000 3.444 67 V HA -0.049 4.060 4.120 -0.018 0.000 0.271 67 V C 1.505 177.544 176.094 -0.091 0.000 1.188 67 V CA 1.615 63.809 62.300 -0.177 0.000 1.168 67 V CB -0.694 31.119 31.823 -0.017 0.000 0.810 67 V HN 0.478 nan 8.190 nan 0.000 0.500 68 S N -0.622 115.011 115.700 -0.112 0.000 2.548 68 S HA 0.476 4.935 4.470 -0.018 0.000 0.215 68 S C 1.683 176.248 174.600 -0.058 0.000 0.976 68 S CA 0.758 58.921 58.200 -0.062 0.000 0.908 68 S CB 0.491 63.659 63.200 -0.052 0.000 0.781 68 S HN 1.656 nan 8.310 nan 0.000 0.519 69 G N 0.658 109.409 108.800 -0.082 0.000 2.201 69 G HA2 -0.026 3.924 3.960 -0.018 0.000 0.212 69 G HA3 -0.026 3.924 3.960 -0.018 0.000 0.212 69 G C 0.324 175.187 174.900 -0.062 0.000 0.994 69 G CA -0.157 44.911 45.100 -0.053 0.000 0.644 69 G HN 1.175 nan 8.290 nan 0.000 0.508 70 A N 0.663 123.434 122.820 -0.081 0.000 2.448 70 A HA 0.619 4.929 4.320 -0.018 0.000 0.239 70 A C 0.919 178.456 177.584 -0.078 0.000 1.080 70 A CA 0.184 52.179 52.037 -0.071 0.000 0.779 70 A CB 0.188 19.146 19.000 -0.070 0.000 1.026 70 A HN 0.531 nan 8.150 nan 0.000 0.499 71 R N 1.505 121.965 120.500 -0.066 0.000 2.537 71 R HA 0.220 4.549 4.340 -0.018 0.000 0.280 71 R C -2.201 174.055 176.300 -0.073 0.000 1.058 71 R CA -1.031 55.026 56.100 -0.072 0.000 1.057 71 R CB -0.019 30.238 30.300 -0.073 0.000 0.973 71 R HN 0.607 nan 8.270 nan 0.000 0.438 72 P HA 0.058 nan 4.420 nan 0.000 0.275 72 P C -0.946 176.315 177.300 -0.066 0.000 1.266 72 P CA -0.239 62.828 63.100 -0.054 0.000 0.793 72 P CB 0.897 32.574 31.700 -0.038 0.000 1.074 73 Q N -0.853 118.938 119.800 -0.014 0.000 2.421 73 Q HA 0.389 4.718 4.340 -0.018 0.000 0.280 73 Q C -0.906 175.148 176.000 0.090 0.000 1.085 73 Q CA -0.720 55.088 55.803 0.007 0.000 0.807 73 Q CB 2.612 31.366 28.738 0.028 0.000 1.405 73 Q HN 0.464 nan 8.270 nan 0.000 0.419 74 E N 1.521 121.787 120.200 0.109 0.000 2.145 74 E HA 0.497 4.836 4.350 -0.018 0.000 0.270 74 E C -1.500 175.230 176.600 0.215 0.000 0.906 74 E CA -0.533 56.023 56.400 0.260 0.000 0.761 74 E CB 1.452 31.306 29.700 0.257 0.000 1.116 74 E HN 0.316 nan 8.360 nan 0.000 0.408 75 V N 3.279 123.343 119.914 0.250 0.000 2.789 75 V HA 0.412 4.522 4.120 -0.018 0.000 0.311 75 V C -0.327 175.868 176.094 0.169 0.000 1.073 75 V CA -0.779 61.621 62.300 0.168 0.000 0.921 75 V CB 2.250 34.149 31.823 0.127 0.000 1.009 75 V HN 0.712 nan 8.190 nan 0.000 0.426 76 T N 3.732 118.363 114.554 0.128 0.000 2.792 76 T HA 0.675 5.015 4.350 -0.018 0.000 0.280 76 T C -0.496 174.261 174.700 0.096 0.000 0.990 76 T CA -0.429 61.742 62.100 0.119 0.000 0.960 76 T CB 1.549 70.476 68.868 0.099 0.000 0.939 76 T HN 0.822 nan 8.240 nan 0.000 0.439 77 V N 0.710 120.690 119.914 0.110 0.000 2.914 77 V HA 0.894 5.004 4.120 -0.018 0.000 0.314 77 V C -0.178 175.976 176.094 0.101 0.000 1.084 77 V CA -0.913 61.437 62.300 0.082 0.000 0.963 77 V CB 2.149 34.004 31.823 0.052 0.000 1.025 77 V HN 0.753 nan 8.190 nan 0.000 0.432 78 S N 2.044 117.783 115.700 0.065 0.000 2.423 78 S HA 0.377 4.837 4.470 -0.018 0.000 0.317 78 S C 0.847 175.473 174.600 0.045 0.000 1.065 78 S CA -0.062 58.178 58.200 0.066 0.000 1.111 78 S CB 0.817 64.039 63.200 0.038 0.000 0.968 78 S HN 1.864 nan 8.310 nan 0.000 0.474 79 V N 3.936 123.889 119.914 0.065 0.000 2.626 79 V HA -0.031 4.079 4.120 -0.018 0.000 0.252 79 V C 1.964 178.057 176.094 -0.001 0.000 1.067 79 V CA 2.064 64.356 62.300 -0.014 0.000 1.081 79 V CB -1.732 30.041 31.823 -0.083 0.000 0.686 79 V HN 0.777 nan 8.190 nan 0.000 0.468 80 T N 1.736 116.306 114.554 0.026 0.000 2.674 80 T HA -0.121 4.218 4.350 -0.018 0.000 0.265 80 T C 1.735 176.437 174.700 0.003 0.000 1.039 80 T CA 2.131 64.239 62.100 0.013 0.000 1.150 80 T CB -0.476 68.401 68.868 0.014 0.000 0.864 80 T HN 0.585 nan 8.240 nan 0.000 0.427 81 N N 0.457 119.160 118.700 0.006 0.000 2.412 81 N HA 0.127 4.857 4.740 -0.018 0.000 0.184 81 N C 1.328 176.837 175.510 -0.001 0.000 1.101 81 N CA 0.695 53.747 53.050 0.002 0.000 0.881 81 N CB 0.218 38.708 38.487 0.005 0.000 0.969 81 N HN 0.554 nan 8.380 nan 0.000 0.459 82 G N 1.582 110.379 108.800 -0.005 0.000 2.246 82 G HA2 -0.262 3.688 3.960 -0.018 0.000 0.273 82 G HA3 -0.262 3.688 3.960 -0.018 0.000 0.273 82 G C 0.126 175.023 174.900 -0.005 0.000 1.055 82 G CA 0.950 46.043 45.100 -0.011 0.000 0.851 82 G HN 0.525 nan 8.290 nan 0.000 0.500 83 T N -3.791 110.765 114.554 0.003 0.000 2.901 83 T HA 0.701 5.040 4.350 -0.018 0.000 0.293 83 T C -0.368 174.342 174.700 0.017 0.000 1.084 83 T CA -0.609 61.496 62.100 0.008 0.000 1.008 83 T CB 2.749 71.624 68.868 0.010 0.000 1.170 83 T HN 0.782 nan 8.240 nan 0.000 0.509 84 V N 2.870 122.795 119.914 0.019 0.000 2.348 84 V HA 0.297 4.407 4.120 -0.018 0.000 0.270 84 V C 1.256 177.368 176.094 0.030 0.000 1.037 84 V CA -0.481 61.836 62.300 0.028 0.000 0.872 84 V CB 0.331 32.169 31.823 0.026 0.000 1.002 84 V HN 0.884 nan 8.190 nan 0.000 0.464 85 I N 3.259 123.851 120.570 0.038 0.000 2.406 85 I HA -0.013 4.147 4.170 -0.018 0.000 0.249 85 I C 0.935 177.073 176.117 0.036 0.000 1.122 85 I CA 1.014 62.335 61.300 0.035 0.000 1.431 85 I CB 0.210 38.233 38.000 0.039 0.000 1.087 85 I HN 0.768 nan 8.210 nan 0.000 0.424 86 S N -0.082 115.646 115.700 0.046 0.000 2.537 86 S HA 0.795 5.254 4.470 -0.018 0.000 0.271 86 S C -0.919 173.716 174.600 0.058 0.000 1.148 86 S CA -0.681 57.547 58.200 0.047 0.000 0.868 86 S CB 2.234 65.463 63.200 0.049 0.000 1.115 86 S HN 0.158 nan 8.310 nan 0.000 0.461 87 A N 1.707 124.557 122.820 0.048 0.000 2.442 87 A HA 0.744 5.053 4.320 -0.018 0.000 0.284 87 A C -1.218 176.389 177.584 0.037 0.000 1.058 87 A CA -0.669 51.399 52.037 0.052 0.000 0.738 87 A CB 1.304 20.328 19.000 0.040 0.000 1.242 87 A HN 1.226 nan 8.150 nan 0.000 0.421 88 V N 1.951 121.889 119.914 0.040 0.000 2.656 88 V HA 0.419 4.528 4.120 -0.018 0.000 0.307 88 V C 0.154 176.243 176.094 -0.009 0.000 1.051 88 V CA -0.644 61.665 62.300 0.016 0.000 0.893 88 V CB 1.853 33.688 31.823 0.020 0.000 0.999 88 V HN 0.984 nan 8.190 nan 0.000 0.426 89 E N 3.250 123.433 120.200 -0.028 0.000 2.331 89 E HA 0.499 4.838 4.350 -0.018 0.000 0.272 89 E C -1.321 175.222 176.600 -0.094 0.000 1.036 89 E CA -0.427 55.940 56.400 -0.054 0.000 0.864 89 E CB 0.948 30.621 29.700 -0.046 0.000 1.035 89 E HN 0.527 nan 8.360 nan 0.000 0.408 90 L N 3.381 124.516 121.223 -0.148 0.000 2.317 90 L HA 0.292 4.621 4.340 -0.018 0.000 0.281 90 L C -0.180 176.568 176.870 -0.204 0.000 1.024 90 L CA -0.806 53.893 54.840 -0.235 0.000 0.810 90 L CB 1.447 43.249 42.059 -0.428 0.000 1.240 90 L HN 0.509 nan 8.230 nan 0.000 0.427 91 D N 1.230 121.516 120.400 -0.190 0.000 2.485 91 D HA 0.067 4.697 4.640 -0.018 0.000 0.221 91 D C 1.294 177.486 176.300 -0.179 0.000 1.112 91 D CA -0.291 53.623 54.000 -0.144 0.000 0.911 91 D CB 1.200 41.940 40.800 -0.099 0.000 1.019 91 D HN 0.684 nan 8.370 nan 0.000 0.516 92 T N 0.753 115.189 114.554 -0.197 0.000 2.803 92 T HA -0.193 4.146 4.350 -0.018 0.000 0.269 92 T C 1.896 176.522 174.700 -0.123 0.000 1.052 92 T CA 1.113 63.086 62.100 -0.212 0.000 1.136 92 T CB -0.186 68.570 68.868 -0.186 0.000 0.864 92 T HN 0.255 nan 8.240 nan 0.000 0.467 93 A N 1.425 124.195 122.820 -0.083 0.000 2.024 93 A HA 0.341 4.651 4.320 -0.018 0.000 0.220 93 A C 2.660 180.230 177.584 -0.023 0.000 1.164 93 A CA 1.836 53.845 52.037 -0.046 0.000 0.643 93 A CB -1.105 17.870 19.000 -0.042 0.000 0.806 93 A HN 0.800 nan 8.150 nan 0.000 0.451 94 A N -0.936 121.862 122.820 -0.036 0.000 1.881 94 A HA 0.117 4.427 4.320 -0.018 0.000 0.210 94 A C 2.255 179.871 177.584 0.053 0.000 1.239 94 A CA 1.802 53.838 52.037 -0.001 0.000 0.629 94 A CB -0.879 18.105 19.000 -0.026 0.000 0.906 94 A HN 0.676 nan 8.150 nan 0.000 0.460 95 T N -3.337 111.166 114.554 -0.085 0.000 3.081 95 T HA 0.465 4.804 4.350 -0.018 0.000 0.250 95 T C 0.853 175.227 174.700 -0.542 0.000 1.100 95 T CA 0.880 62.846 62.100 -0.223 0.000 1.038 95 T CB -0.105 68.630 68.868 -0.221 0.000 0.962 95 T HN 1.910 nan 8.240 nan 0.000 0.516 96 G N 0.772 109.387 108.800 -0.309 0.000 2.525 96 G HA2 0.120 4.070 3.960 -0.018 0.000 0.685 96 G HA3 0.120 4.070 3.960 -0.018 0.000 0.685 96 G C -1.245 173.494 174.900 -0.268 0.000 1.285 96 G CA -1.080 43.873 45.100 -0.245 0.000 0.849 96 G HN 0.205 nan 8.290 nan 0.000 0.653 97 E N 0.186 120.301 120.200 -0.141 0.000 2.349 97 E HA 0.516 4.855 4.350 -0.018 0.000 0.262 97 E C 1.116 177.659 176.600 -0.096 0.000 1.088 97 E CA -0.530 55.781 56.400 -0.149 0.000 0.899 97 E CB 1.095 30.733 29.700 -0.103 0.000 1.044 97 E HN 0.508 nan 8.360 nan 0.000 0.420 98 L N 2.664 123.833 121.223 -0.090 0.000 2.472 98 L HA 0.190 4.520 4.340 -0.018 0.000 0.260 98 L C -1.768 175.120 176.870 0.031 0.000 1.209 98 L CA -1.697 53.170 54.840 0.046 0.000 0.817 98 L CB -0.091 42.009 42.059 0.067 0.000 1.106 98 L HN 0.214 nan 8.230 nan 0.000 0.479 99 P HA -0.013 nan 4.420 nan 0.000 0.269 99 P C -0.550 176.717 177.300 -0.056 0.000 1.217 99 P CA -0.239 62.887 63.100 0.043 0.000 0.783 99 P CB 0.395 32.168 31.700 0.122 0.000 0.898 100 V N 2.785 122.619 119.914 -0.133 0.000 2.673 100 V HA -0.045 4.065 4.120 -0.018 0.000 0.303 100 V C 1.030 176.983 176.094 -0.234 0.000 1.046 100 V CA 0.212 62.332 62.300 -0.299 0.000 1.126 100 V CB -0.488 31.032 31.823 -0.505 0.000 0.934 100 V HN 0.310 nan 8.190 nan 0.000 0.487 101 L N 3.523 124.553 121.223 -0.323 0.000 2.326 101 L HA 0.277 4.606 4.340 -0.018 0.000 0.278 101 L C 1.602 178.374 176.870 -0.162 0.000 1.092 101 L CA -0.056 54.676 54.840 -0.180 0.000 0.810 101 L CB 0.918 42.866 42.059 -0.186 0.000 1.153 101 L HN 0.779 nan 8.230 nan 0.000 0.439 102 E N 2.154 122.433 120.200 0.132 0.000 2.171 102 E HA -0.263 4.077 4.350 -0.018 0.000 0.197 102 E C 1.583 178.344 176.600 0.269 0.000 0.997 102 E CA 1.781 58.431 56.400 0.417 0.000 0.810 102 E CB 0.235 30.171 29.700 0.393 0.000 0.738 102 E HN 0.783 nan 8.360 nan 0.000 0.467 103 E N 0.076 120.330 120.200 0.091 0.000 2.274 103 E HA -0.194 4.145 4.350 -0.018 0.000 0.194 103 E C 1.482 178.098 176.600 0.026 0.000 0.996 103 E CA 0.986 57.430 56.400 0.073 0.000 0.840 103 E CB -0.080 29.641 29.700 0.035 0.000 0.772 103 E HN 0.396 nan 8.360 nan 0.000 0.491 104 E N -0.006 120.133 120.200 -0.102 0.000 2.285 104 E HA -0.053 4.287 4.350 -0.018 0.000 0.194 104 E C 1.455 177.993 176.600 -0.104 0.000 0.997 104 E CA 0.452 56.758 56.400 -0.157 0.000 0.845 104 E CB -0.124 29.398 29.700 -0.297 0.000 0.782 104 E HN 0.247 nan 8.360 nan 0.000 0.491 105 F N 2.026 122.016 119.950 0.066 0.000 2.126 105 F HA -0.163 4.354 4.527 -0.018 0.000 0.299 105 F C 2.086 177.929 175.800 0.072 0.000 1.096 105 F CA 1.334 59.387 58.000 0.087 0.000 1.255 105 F CB -0.486 38.591 39.000 0.129 0.000 0.997 105 F HN 0.003 nan 8.300 nan 0.000 0.479 106 E N -0.090 120.264 120.200 0.256 0.000 2.153 106 E HA -0.158 4.181 4.350 -0.018 0.000 0.194 106 E C 2.313 178.970 176.600 0.095 0.000 0.988 106 E CA 1.375 57.871 56.400 0.159 0.000 0.811 106 E CB -0.507 29.275 29.700 0.136 0.000 0.746 106 E HN 0.192 nan 8.360 nan 0.000 0.466 107 V N 1.336 121.291 119.914 0.069 0.000 2.324 107 V HA -0.302 3.808 4.120 -0.018 0.000 0.250 107 V C 2.364 178.455 176.094 -0.004 0.000 1.060 107 V CA 1.620 63.934 62.300 0.024 0.000 1.042 107 V CB -0.614 31.210 31.823 0.002 0.000 0.650 107 V HN 0.154 nan 8.190 nan 0.000 0.450 108 V N -0.133 119.784 119.914 0.005 0.000 2.219 108 V HA -0.374 3.735 4.120 -0.018 0.000 0.248 108 V C 2.453 178.479 176.094 -0.112 0.000 1.053 108 V CA 2.619 64.889 62.300 -0.049 0.000 1.009 108 V CB -0.695 31.132 31.823 0.006 0.000 0.636 108 V HN 0.664 nan 8.190 nan 0.000 0.445 109 E N -0.497 119.673 120.200 -0.050 0.000 2.077 109 E HA -0.281 4.058 4.350 -0.018 0.000 0.193 109 E C 2.306 178.868 176.600 -0.064 0.000 0.989 109 E CA 1.564 57.926 56.400 -0.064 0.000 0.800 109 E CB -0.085 29.630 29.700 0.024 0.000 0.746 109 E HN 0.704 nan 8.360 nan 0.000 0.452 110 Q N 0.158 119.942 119.800 -0.026 0.000 2.061 110 Q HA -0.178 4.151 4.340 -0.018 0.000 0.204 110 Q C 2.445 178.420 176.000 -0.041 0.000 0.984 110 Q CA 1.552 57.347 55.803 -0.013 0.000 0.846 110 Q CB -0.115 28.628 28.738 0.008 0.000 0.902 110 Q HN 0.361 nan 8.270 nan 0.000 0.421 111 L N 0.212 121.393 121.223 -0.070 0.000 2.056 111 L HA -0.180 4.149 4.340 -0.018 0.000 0.207 111 L C 2.297 179.088 176.870 -0.132 0.000 1.078 111 L CA 0.846 55.636 54.840 -0.084 0.000 0.749 111 L CB -0.346 41.660 42.059 -0.088 0.000 0.901 111 L HN 0.268 nan 8.230 nan 0.000 0.433 112 L N -0.378 120.686 121.223 -0.265 0.000 2.191 112 L HA -0.161 4.169 4.340 -0.018 0.000 0.212 112 L C 2.807 179.561 176.870 -0.193 0.000 1.103 112 L CA 0.830 55.389 54.840 -0.469 0.000 0.769 112 L CB -0.693 40.648 42.059 -1.198 0.000 0.908 112 L HN 0.236 nan 8.230 nan 0.000 0.438 113 A N -0.086 122.695 122.820 -0.065 0.000 2.024 113 A HA -0.192 4.117 4.320 -0.018 0.000 0.220 113 A C 2.108 179.750 177.584 0.097 0.000 1.164 113 A CA 2.145 54.235 52.037 0.088 0.000 0.643 113 A CB -0.690 18.346 19.000 0.060 0.000 0.806 113 A HN 0.514 nan 8.150 nan 0.000 0.451 114 T N -3.462 111.122 114.554 0.050 0.000 3.129 114 T HA 0.182 4.522 4.350 -0.018 0.000 0.267 114 T C 0.019 174.751 174.700 0.054 0.000 1.018 114 T CA 0.013 62.143 62.100 0.051 0.000 0.903 114 T CB -0.072 68.812 68.868 0.027 0.000 1.067 114 T HN 0.334 nan 8.240 nan 0.000 0.549 115 D N 1.643 122.088 120.400 0.074 0.000 2.280 115 D HA 0.132 4.762 4.640 -0.018 0.000 0.243 115 D C 0.718 177.091 176.300 0.122 0.000 1.129 115 D CA -0.121 53.926 54.000 0.079 0.000 0.848 115 D CB 1.367 42.202 40.800 0.059 0.000 1.107 115 D HN 0.322 nan 8.370 nan 0.000 0.471 116 E N 2.894 123.139 120.200 0.076 0.000 2.097 116 E HA -0.241 4.099 4.350 -0.018 0.000 0.196 116 E C 1.829 178.471 176.600 0.070 0.000 1.000 116 E CA 1.246 57.683 56.400 0.063 0.000 0.804 116 E CB 0.229 29.951 29.700 0.036 0.000 0.740 116 E HN 0.483 nan 8.360 nan 0.000 0.454 117 R N 0.045 120.594 120.500 0.081 0.000 2.081 117 R HA -0.118 4.211 4.340 -0.018 0.000 0.235 117 R C 2.226 178.597 176.300 0.119 0.000 1.131 117 R CA 1.388 57.534 56.100 0.075 0.000 0.960 117 R CB -0.350 29.990 30.300 0.066 0.000 0.856 117 R HN 0.417 nan 8.270 nan 0.000 0.436 118 W N 1.479 122.760 121.300 -0.032 0.000 2.381 118 W HA -0.131 4.518 4.660 -0.018 0.000 0.301 118 W C 1.457 177.965 176.519 -0.019 0.000 1.205 118 W CA 1.215 58.543 57.345 -0.028 0.000 1.285 118 W CB -0.128 29.319 29.460 -0.023 0.000 1.133 118 W HN 0.085 nan 8.180 nan 0.000 0.521 119 L N 0.789 122.091 121.223 0.133 0.000 2.083 119 L HA -0.249 4.081 4.340 -0.018 0.000 0.209 119 L C 2.618 179.454 176.870 -0.056 0.000 1.083 119 L CA 1.669 56.523 54.840 0.023 0.000 0.752 119 L CB -0.909 41.193 42.059 0.071 0.000 0.899 119 L HN -0.093 nan 8.230 nan 0.000 0.433 120 K N 0.293 120.671 120.400 -0.036 0.000 2.148 120 K HA -0.149 4.160 4.320 -0.018 0.000 0.204 120 K C 2.113 178.652 176.600 -0.101 0.000 1.050 120 K CA 1.146 57.401 56.287 -0.052 0.000 0.942 120 K CB 0.001 32.485 32.500 -0.027 0.000 0.724 120 K HN 0.270 nan 8.250 nan 0.000 0.446 121 A N 1.097 123.822 122.820 -0.159 0.000 1.930 121 A HA -0.066 4.243 4.320 -0.018 0.000 0.217 121 A C 2.026 179.446 177.584 -0.273 0.000 1.175 121 A CA 0.982 52.886 52.037 -0.223 0.000 0.627 121 A CB -0.430 18.384 19.000 -0.310 0.000 0.815 121 A HN 0.276 nan 8.150 nan 0.000 0.443 122 L N -0.904 120.113 121.223 -0.344 0.000 2.109 122 L HA -0.129 4.201 4.340 -0.018 0.000 0.207 122 L C 3.062 179.836 176.870 -0.159 0.000 1.086 122 L CA 0.950 55.615 54.840 -0.291 0.000 0.760 122 L CB -0.605 41.272 42.059 -0.304 0.000 0.910 122 L HN 0.430 nan 8.230 nan 0.000 0.437 123 A N 0.333 123.080 122.820 -0.122 0.000 1.933 123 A HA -0.131 4.178 4.320 -0.018 0.000 0.218 123 A C 2.502 180.043 177.584 -0.071 0.000 1.175 123 A CA 1.574 53.566 52.037 -0.076 0.000 0.628 123 A CB -0.596 18.371 19.000 -0.054 0.000 0.814 123 A HN 0.382 nan 8.150 nan 0.000 0.444 124 A N -0.510 122.261 122.820 -0.082 0.000 2.070 124 A HA -0.095 4.215 4.320 -0.018 0.000 0.220 124 A C 2.052 179.596 177.584 -0.068 0.000 1.159 124 A CA 1.362 53.358 52.037 -0.069 0.000 0.656 124 A CB -0.304 18.653 19.000 -0.073 0.000 0.800 124 A HN 0.549 nan 8.150 nan 0.000 0.453 125 R N -0.851 119.599 120.500 -0.083 0.000 2.432 125 R HA 0.118 4.447 4.340 -0.018 0.000 0.260 125 R C -0.321 175.943 176.300 -0.061 0.000 0.935 125 R CA 0.081 56.138 56.100 -0.071 0.000 1.080 125 R CB 0.222 30.468 30.300 -0.091 0.000 1.155 125 R HN 0.433 nan 8.270 nan 0.000 0.531 126 N N 1.040 119.705 118.700 -0.059 0.000 2.740 126 N HA -0.183 4.547 4.740 -0.018 0.000 0.248 126 N C -0.981 174.501 175.510 -0.047 0.000 1.062 126 N CA 0.988 54.011 53.050 -0.046 0.000 0.704 126 N CB -1.364 37.102 38.487 -0.034 0.000 0.968 126 N HN 0.285 nan 8.380 nan 0.000 0.547 127 L N 0.057 121.242 121.223 -0.063 0.000 2.317 127 L HA 0.350 4.680 4.340 -0.018 0.000 0.281 127 L C 0.674 177.518 176.870 -0.044 0.000 1.024 127 L CA -0.857 53.948 54.840 -0.059 0.000 0.810 127 L CB 1.477 43.485 42.059 -0.085 0.000 1.240 127 L HN -0.092 nan 8.230 nan 0.000 0.427 128 D N 1.982 122.368 120.400 -0.023 0.000 2.339 128 D HA 0.004 4.633 4.640 -0.018 0.000 0.256 128 D C 0.817 177.126 176.300 0.014 0.000 1.214 128 D CA 0.098 54.096 54.000 -0.003 0.000 0.877 128 D CB 1.905 42.708 40.800 0.004 0.000 1.111 128 D HN 0.312 nan 8.370 nan 0.000 0.478 129 V N 4.118 124.050 119.914 0.030 0.000 2.453 129 V HA -0.270 3.839 4.120 -0.018 0.000 0.252 129 V C 2.105 178.250 176.094 0.085 0.000 1.068 129 V CA 2.912 65.259 62.300 0.079 0.000 1.070 129 V CB -0.448 31.439 31.823 0.107 0.000 0.664 129 V HN 0.728 nan 8.190 nan 0.000 0.461 130 S N -1.059 114.675 115.700 0.058 0.000 2.474 130 S HA -0.111 4.349 4.470 -0.018 0.000 0.235 130 S C 1.684 176.311 174.600 0.045 0.000 0.997 130 S CA 1.153 59.384 58.200 0.052 0.000 0.949 130 S CB -0.360 62.864 63.200 0.040 0.000 0.766 130 S HN 0.750 nan 8.310 nan 0.000 0.517 131 K N 0.710 121.133 120.400 0.039 0.000 2.373 131 K HA 0.304 4.613 4.320 -0.018 0.000 0.202 131 K C -0.788 175.831 176.600 0.031 0.000 1.025 131 K CA -0.064 56.237 56.287 0.024 0.000 1.115 131 K CB 1.061 33.567 32.500 0.009 0.000 0.858 131 K HN 0.206 nan 8.250 nan 0.000 0.525 132 V N 3.486 123.440 119.914 0.066 0.000 2.334 132 V HA 0.200 4.309 4.120 -0.018 0.000 0.267 132 V C 0.191 176.366 176.094 0.134 0.000 1.040 132 V CA -0.755 61.605 62.300 0.101 0.000 0.866 132 V CB 0.600 32.506 31.823 0.138 0.000 1.019 132 V HN 0.160 nan 8.190 nan 0.000 0.468 133 R N 3.178 123.738 120.500 0.099 0.000 2.490 133 R HA 0.569 4.898 4.340 -0.018 0.000 0.278 133 R C -0.677 175.729 176.300 0.178 0.000 1.069 133 R CA -0.400 55.751 56.100 0.085 0.000 1.080 133 R CB 1.685 31.970 30.300 -0.026 0.000 1.030 133 R HN 0.433 nan 8.270 nan 0.000 0.491 134 V N 1.803 121.818 119.914 0.169 0.000 2.444 134 V HA 0.382 4.491 4.120 -0.018 0.000 0.294 134 V C -0.042 176.202 176.094 0.250 0.000 1.022 134 V CA -1.158 61.281 62.300 0.231 0.000 0.850 134 V CB 1.730 33.626 31.823 0.122 0.000 0.992 134 V HN 0.847 nan 8.190 nan 0.000 0.426 135 A N 7.803 130.860 122.820 0.395 0.000 2.347 135 A HA 0.635 4.944 4.320 -0.018 0.000 0.287 135 A C -2.259 175.585 177.584 0.433 0.000 1.199 135 A CA -1.283 51.022 52.037 0.446 0.000 0.851 135 A CB 0.115 19.549 19.000 0.722 0.000 1.118 135 A HN 0.575 nan 8.150 nan 0.000 0.525 136 P HA 0.323 nan 4.420 nan 0.000 0.283 136 P C -0.976 176.655 177.300 0.551 0.000 1.412 136 P CA -0.136 63.215 63.100 0.418 0.000 0.912 136 P CB 0.882 32.867 31.700 0.475 0.000 1.132 137 L N 2.341 123.872 121.223 0.513 0.000 2.334 137 L HA 0.399 4.729 4.340 -0.018 0.000 0.272 137 L C 1.252 178.392 176.870 0.450 0.000 1.020 137 L CA -0.776 54.442 54.840 0.630 0.000 0.812 137 L CB 1.035 43.514 42.059 0.700 0.000 1.264 137 L HN 0.364 nan 8.230 nan 0.000 0.439 138 S N 0.076 116.067 115.700 0.485 0.000 2.563 138 S HA 0.258 4.718 4.470 -0.018 0.000 0.284 138 S C 0.969 175.717 174.600 0.247 0.000 1.331 138 S CA 0.097 58.455 58.200 0.263 0.000 1.047 138 S CB 0.811 64.183 63.200 0.287 0.000 0.859 138 S HN 0.748 nan 8.310 nan 0.000 0.514 139 A N 2.986 125.868 122.820 0.103 0.000 1.984 139 A HA 0.564 4.873 4.320 -0.018 0.000 0.214 139 A C 1.560 179.278 177.584 0.222 0.000 1.173 139 A CA 0.672 52.729 52.037 0.034 0.000 0.673 139 A CB -1.479 17.453 19.000 -0.113 0.000 0.830 139 A HN 2.316 nan 8.150 nan 0.000 0.453 140 G N -1.699 107.208 108.800 0.179 0.000 2.645 140 G HA2 -0.058 3.892 3.960 -0.018 0.000 0.239 140 G HA3 -0.058 3.892 3.960 -0.018 0.000 0.239 140 G C -0.393 174.470 174.900 -0.062 0.000 1.331 140 G CA -0.203 44.969 45.100 0.120 0.000 0.890 140 G HN 1.128 nan 8.290 nan 0.000 0.572 141 V N 0.810 120.473 119.914 -0.418 0.000 2.482 141 V HA 0.773 4.883 4.120 -0.018 0.000 0.295 141 V C -0.220 175.352 176.094 -0.870 0.000 1.026 141 V CA -0.328 61.717 62.300 -0.425 0.000 0.856 141 V CB 1.205 32.832 31.823 -0.326 0.000 1.001 141 V HN 0.735 nan 8.190 nan 0.000 0.424 142 F N 1.588 121.514 119.950 -0.040 0.000 3.345 142 F HA 0.430 4.947 4.527 -0.018 0.000 0.253 142 F C 1.469 177.136 175.800 -0.221 0.000 1.576 142 F CA -0.576 57.353 58.000 -0.117 0.000 0.970 142 F CB 0.410 39.342 39.000 -0.114 0.000 1.808 142 F HN 0.454 nan 8.300 nan 0.000 0.354 143 E N 0.638 120.706 120.200 -0.220 0.000 2.465 143 E HA -0.020 4.319 4.350 -0.018 0.000 0.191 143 E C -1.061 175.353 176.600 -0.311 0.000 1.053 143 E CA 0.261 56.490 56.400 -0.285 0.000 0.869 143 E CB -0.645 28.899 29.700 -0.260 0.000 0.977 143 E HN 0.503 nan 8.360 nan 0.000 0.483 144 Y N 1.136 121.484 120.300 0.080 0.000 2.627 144 Y HA 0.429 4.969 4.550 -0.018 0.000 0.347 144 Y C 1.575 177.489 175.900 0.023 0.000 1.099 144 Y CA -0.203 57.929 58.100 0.054 0.000 1.408 144 Y CB 0.749 39.236 38.460 0.046 0.000 1.247 144 Y HN 0.078 nan 8.280 nan 0.000 0.506 145 A N 2.460 125.353 122.820 0.121 0.000 1.978 145 A HA -0.220 4.089 4.320 -0.018 0.000 0.220 145 A C 2.180 179.803 177.584 0.065 0.000 1.170 145 A CA 1.827 53.904 52.037 0.066 0.000 0.636 145 A CB -0.285 18.741 19.000 0.043 0.000 0.810 145 A HN 0.746 nan 8.150 nan 0.000 0.448 146 E N 0.671 120.925 120.200 0.089 0.000 2.409 146 E HA -0.192 4.147 4.350 -0.018 0.000 0.198 146 E C 1.141 177.766 176.600 0.042 0.000 1.024 146 E CA 1.347 57.781 56.400 0.057 0.000 0.861 146 E CB -0.452 29.282 29.700 0.058 0.000 0.788 146 E HN 0.774 nan 8.360 nan 0.000 0.521 147 E N 0.743 120.978 120.200 0.058 0.000 2.371 147 E HA 0.033 4.373 4.350 -0.018 0.000 0.194 147 E C 0.190 176.792 176.600 0.003 0.000 1.012 147 E CA -0.150 56.265 56.400 0.025 0.000 0.860 147 E CB 0.062 29.785 29.700 0.039 0.000 0.811 147 E HN 0.186 nan 8.360 nan 0.000 0.502 148 R N 0.490 120.993 120.500 0.006 0.000 2.446 148 R HA 0.121 4.451 4.340 -0.018 0.000 0.325 148 R C 0.825 177.113 176.300 -0.020 0.000 0.997 148 R CA 0.701 56.794 56.100 -0.012 0.000 1.010 148 R CB 0.182 30.475 30.300 -0.012 0.000 0.946 148 R HN 0.265 nan 8.270 nan 0.000 0.422 149 G N 2.538 111.319 108.800 -0.031 0.000 2.175 149 G HA2 -0.285 3.665 3.960 -0.018 0.000 0.244 149 G HA3 -0.285 3.665 3.960 -0.018 0.000 0.244 149 G C 0.158 175.037 174.900 -0.036 0.000 0.982 149 G CA -0.355 44.721 45.100 -0.039 0.000 0.641 149 G HN 0.520 nan 8.290 nan 0.000 0.527 150 R N -0.171 120.309 120.500 -0.032 0.000 2.668 150 R HA 0.624 4.954 4.340 -0.018 0.000 0.279 150 R C -0.019 176.253 176.300 -0.046 0.000 0.976 150 R CA -0.902 55.179 56.100 -0.031 0.000 0.978 150 R CB 1.055 31.340 30.300 -0.025 0.000 1.133 150 R HN 0.127 nan 8.270 nan 0.000 0.484 151 R N 2.293 122.763 120.500 -0.049 0.000 2.230 151 R HA 0.335 4.665 4.340 -0.018 0.000 0.337 151 R C -0.288 175.963 176.300 -0.082 0.000 1.063 151 R CA -0.275 55.778 56.100 -0.079 0.000 0.935 151 R CB 0.482 30.722 30.300 -0.100 0.000 1.121 151 R HN 0.288 nan 8.270 nan 0.000 0.486 152 I N 4.338 124.856 120.570 -0.088 0.000 2.562 152 I HA 0.458 4.617 4.170 -0.018 0.000 0.301 152 I C 0.043 176.098 176.117 -0.103 0.000 1.003 152 I CA -0.845 60.397 61.300 -0.096 0.000 1.127 152 I CB 1.721 39.651 38.000 -0.118 0.000 1.304 152 I HN 0.477 nan 8.210 nan 0.000 0.446 153 L N 4.738 125.905 121.223 -0.094 0.000 2.401 153 L HA 0.534 4.864 4.340 -0.018 0.000 0.266 153 L C -0.353 176.464 176.870 -0.088 0.000 0.991 153 L CA -0.794 54.013 54.840 -0.056 0.000 0.818 153 L CB 2.683 44.740 42.059 -0.004 0.000 1.321 153 L HN 0.504 nan 8.230 nan 0.000 0.413 154 R N 0.854 121.278 120.500 -0.126 0.000 2.460 154 R HA 0.641 4.971 4.340 -0.018 0.000 0.303 154 R C -0.194 176.119 176.300 0.022 0.000 0.968 154 R CA -0.683 55.285 56.100 -0.220 0.000 0.889 154 R CB 2.006 31.747 30.300 -0.932 0.000 1.123 154 R HN 0.749 nan 8.270 nan 0.000 0.455 155 G N 2.975 111.816 108.800 0.069 0.000 2.415 155 G HA2 0.575 4.525 3.960 -0.018 0.000 0.327 155 G HA3 0.575 4.525 3.960 -0.018 0.000 0.327 155 G C -0.769 174.319 174.900 0.313 0.000 1.182 155 G CA -0.607 44.597 45.100 0.174 0.000 0.924 155 G HN 0.304 nan 8.290 nan 0.000 0.470 156 L N 1.525 123.009 121.223 0.435 0.000 2.346 156 L HA 0.681 5.011 4.340 -0.018 0.000 0.276 156 L C 0.529 177.566 176.870 0.278 0.000 1.006 156 L CA -0.996 54.084 54.840 0.401 0.000 0.817 156 L CB 2.137 44.522 42.059 0.543 0.000 1.272 156 L HN 0.626 nan 8.230 nan 0.000 0.421 157 A N 3.011 125.883 122.820 0.087 0.000 2.304 157 A HA 0.846 5.155 4.320 -0.018 0.000 0.301 157 A C -1.146 176.138 177.584 -0.500 0.000 1.132 157 A CA -0.133 51.914 52.037 0.017 0.000 0.819 157 A CB 0.472 19.550 19.000 0.131 0.000 1.094 157 A HN 0.511 nan 8.150 nan 0.000 0.492 158 F N 0.517 120.468 119.950 0.002 0.000 2.581 158 F HA 0.429 4.945 4.527 -0.017 0.000 0.311 158 F C -0.193 175.573 175.800 -0.058 0.000 1.113 158 F CA -0.667 57.285 58.000 -0.081 0.000 0.935 158 F CB 2.273 41.108 39.000 -0.275 0.000 1.232 158 F HN 0.315 nan 8.300 nan 0.000 0.445 159 V N 2.664 122.667 119.914 0.147 0.000 2.465 159 V HA 0.323 4.432 4.120 -0.018 0.000 0.279 159 V C -0.350 175.791 176.094 0.077 0.000 1.045 159 V CA -0.533 61.809 62.300 0.071 0.000 0.938 159 V CB 1.411 33.231 31.823 -0.004 0.000 0.986 159 V HN 0.760 nan 8.190 nan 0.000 0.467 160 Q N 2.909 122.704 119.800 -0.007 0.000 2.368 160 Q HA 0.246 4.575 4.340 -0.018 0.000 0.263 160 Q C 0.028 175.969 176.000 -0.099 0.000 1.009 160 Q CA -0.646 55.112 55.803 -0.076 0.000 0.818 160 Q CB 1.312 29.980 28.738 -0.116 0.000 1.239 160 Q HN 0.763 nan 8.270 nan 0.000 0.464 161 D N 3.585 123.897 120.400 -0.147 0.000 2.178 161 D HA -0.013 4.616 4.640 -0.018 0.000 0.202 161 D C 0.084 176.480 176.300 0.161 0.000 0.974 161 D CA 1.254 55.250 54.000 -0.006 0.000 0.841 161 D CB 0.129 40.999 40.800 0.118 0.000 0.953 161 D HN 0.439 nan 8.370 nan 0.000 0.478 162 F N -4.299 115.647 119.950 -0.006 0.000 2.686 162 F HA 0.396 4.913 4.527 -0.018 0.000 0.311 162 F C -2.412 173.380 175.800 -0.014 0.000 1.128 162 F CA -2.294 55.698 58.000 -0.013 0.000 0.946 162 F CB 0.497 39.484 39.000 -0.022 0.000 1.336 162 F HN -0.414 nan 8.300 nan 0.000 0.457 163 P HA -0.186 nan 4.420 nan 0.000 0.218 163 P C 0.299 177.599 177.300 -0.001 0.000 1.154 163 P CA 2.231 65.367 63.100 0.060 0.000 0.872 163 P CB 0.143 31.901 31.700 0.097 0.000 0.790 164 E N -1.654 118.590 120.200 0.074 0.000 2.444 164 E HA 0.085 4.424 4.350 -0.018 0.000 0.191 164 E C -0.009 176.444 176.600 -0.245 0.000 1.041 164 E CA -0.051 56.349 56.400 -0.001 0.000 0.883 164 E CB -0.645 29.138 29.700 0.140 0.000 1.024 164 E HN 0.303 nan 8.360 nan 0.000 0.470 165 D N 0.103 120.083 120.400 -0.700 0.000 2.345 165 D HA 0.064 4.694 4.640 -0.018 0.000 0.247 165 D C -0.485 175.573 176.300 -0.404 0.000 1.108 165 D CA -0.109 53.353 54.000 -0.896 0.000 0.894 165 D CB 0.930 40.865 40.800 -1.441 0.000 1.203 165 D HN -0.126 nan 8.370 nan 0.000 0.430 166 S N 2.547 118.079 115.700 -0.279 0.000 2.411 166 S HA 0.395 4.855 4.470 -0.018 0.000 0.304 166 S C 1.132 175.642 174.600 -0.148 0.000 1.098 166 S CA -0.221 57.890 58.200 -0.148 0.000 1.068 166 S CB 0.154 63.308 63.200 -0.077 0.000 1.032 166 S HN 0.519 nan 8.310 nan 0.000 0.511 167 A N 4.999 127.635 122.820 -0.307 0.000 2.024 167 A HA -0.063 4.246 4.320 -0.018 0.000 0.220 167 A C 1.443 178.868 177.584 -0.265 0.000 1.164 167 A CA 1.085 52.951 52.037 -0.285 0.000 0.643 167 A CB -0.777 17.963 19.000 -0.434 0.000 0.806 167 A HN 0.997 nan 8.150 nan 0.000 0.451 168 W N -0.226 121.010 121.300 -0.106 0.000 2.387 168 W HA -0.007 4.643 4.660 -0.017 0.000 0.272 168 W C 2.362 178.978 176.519 0.162 0.000 1.224 168 W CA 0.747 58.013 57.345 -0.131 0.000 1.210 168 W CB -0.152 29.241 29.460 -0.112 0.000 1.125 168 W HN 0.377 nan 8.180 nan 0.000 0.572 169 A N -0.731 122.251 122.820 0.271 0.000 2.167 169 A HA -0.043 4.266 4.320 -0.018 0.000 0.214 169 A C 0.566 178.012 177.584 -0.229 0.000 1.151 169 A CA 0.739 52.849 52.037 0.121 0.000 0.735 169 A CB -0.551 18.435 19.000 -0.023 0.000 0.802 169 A HN 0.317 nan 8.150 nan 0.000 0.467 170 H N 0.032 119.238 119.070 0.227 0.000 2.355 170 H HA 0.252 4.798 4.556 -0.017 0.000 0.232 170 H C -2.916 172.480 175.328 0.112 0.000 1.422 170 H CA -2.323 53.806 56.048 0.136 0.000 1.261 170 H CB -0.219 29.594 29.762 0.086 0.000 1.595 170 H HN 0.350 nan 8.280 nan 0.000 0.529 171 P HA 0.021 nan 4.420 nan 0.000 0.275 171 P C 0.320 177.492 177.300 -0.213 0.000 1.227 171 P CA -0.317 62.669 63.100 -0.191 0.000 0.781 171 P CB 2.025 33.652 31.700 -0.121 0.000 0.906 172 V N 3.625 123.328 119.914 -0.351 0.000 2.240 172 V HA 0.126 4.235 4.120 -0.018 0.000 0.265 172 V C 0.751 176.709 176.094 -0.227 0.000 1.073 172 V CA -0.307 61.864 62.300 -0.216 0.000 0.857 172 V CB 0.013 31.712 31.823 -0.207 0.000 1.114 172 V HN 0.541 nan 8.190 nan 0.000 0.469 173 D N 2.905 123.165 120.400 -0.232 0.000 2.360 173 D HA 0.338 4.968 4.640 -0.018 0.000 0.242 173 D C 1.335 177.510 176.300 -0.207 0.000 1.184 173 D CA 1.544 55.311 54.000 -0.390 0.000 0.930 173 D CB 1.622 41.897 40.800 -0.876 0.000 1.161 173 D HN 0.730 nan 8.370 nan 0.000 0.447 174 G N 0.327 108.994 108.800 -0.222 0.000 2.162 174 G HA2 -0.218 3.731 3.960 -0.018 0.000 0.260 174 G HA3 -0.218 3.731 3.960 -0.018 0.000 0.260 174 G C -0.115 174.818 174.900 0.055 0.000 0.976 174 G CA 0.590 45.757 45.100 0.111 0.000 0.655 174 G HN 0.492 nan 8.290 nan 0.000 0.533 175 L N -0.221 121.002 121.223 -0.000 0.000 2.455 175 L HA 0.928 5.257 4.340 -0.018 0.000 0.264 175 L C -0.749 176.191 176.870 0.117 0.000 0.968 175 L CA -1.021 53.823 54.840 0.006 0.000 0.827 175 L CB 2.421 44.401 42.059 -0.132 0.000 1.317 175 L HN 0.681 nan 8.230 nan 0.000 0.407 176 V N 3.671 123.686 119.914 0.169 0.000 3.077 176 V HA 0.966 5.075 4.120 -0.018 0.000 0.299 176 V C -1.488 174.660 176.094 0.090 0.000 1.276 176 V CA 0.332 62.770 62.300 0.231 0.000 0.993 176 V CB 2.095 34.085 31.823 0.278 0.000 1.076 176 V HN 1.231 nan 8.190 nan 0.000 0.434 177 A N 4.754 127.612 122.820 0.065 0.000 2.454 177 A HA 0.972 5.281 4.320 -0.018 0.000 0.302 177 A C -2.068 175.474 177.584 -0.070 0.000 1.079 177 A CA -0.470 51.483 52.037 -0.138 0.000 0.731 177 A CB 1.762 20.680 19.000 -0.137 0.000 1.299 177 A HN 0.873 nan 8.150 nan 0.000 0.413 178 Y N 0.190 120.359 120.300 -0.219 0.000 2.377 178 Y HA 0.629 5.168 4.550 -0.017 0.000 0.339 178 Y C -0.106 175.676 175.900 -0.198 0.000 1.011 178 Y CA -1.662 56.281 58.100 -0.262 0.000 1.093 178 Y CB 1.725 39.985 38.460 -0.334 0.000 1.201 178 Y HN 0.373 nan 8.280 nan 0.000 0.455 179 V N 2.834 122.739 119.914 -0.014 0.000 2.709 179 V HA 0.255 4.364 4.120 -0.018 0.000 0.308 179 V C -0.740 175.322 176.094 -0.052 0.000 1.062 179 V CA -1.079 61.189 62.300 -0.053 0.000 0.901 179 V CB 2.322 34.095 31.823 -0.082 0.000 1.003 179 V HN 0.678 nan 8.190 nan 0.000 0.425 180 D N 3.067 123.440 120.400 -0.045 0.000 2.380 180 D HA 0.164 4.793 4.640 -0.018 0.000 0.230 180 D C 0.942 177.217 176.300 -0.041 0.000 1.154 180 D CA -0.206 53.770 54.000 -0.041 0.000 0.859 180 D CB 1.949 42.732 40.800 -0.028 0.000 1.045 180 D HN 0.462 nan 8.370 nan 0.000 0.495 181 V N 2.282 122.165 119.914 -0.051 0.000 3.510 181 V HA -0.031 4.079 4.120 -0.018 0.000 0.270 181 V C 1.421 177.503 176.094 -0.019 0.000 1.201 181 V CA 0.413 62.684 62.300 -0.048 0.000 1.166 181 V CB -0.169 31.602 31.823 -0.087 0.000 0.825 181 V HN 0.377 nan 8.190 nan 0.000 0.484 182 V N 1.259 121.171 119.914 -0.003 0.000 2.581 182 V HA -0.018 4.091 4.120 -0.018 0.000 0.240 182 V C 2.699 178.801 176.094 0.014 0.000 1.054 182 V CA 1.691 64.010 62.300 0.032 0.000 1.076 182 V CB 0.188 32.045 31.823 0.056 0.000 0.748 182 V HN 0.709 nan 8.190 nan 0.000 0.474 183 S N -1.161 114.539 115.700 0.001 0.000 2.562 183 S HA -0.018 4.442 4.470 -0.018 0.000 0.221 183 S C 0.782 175.378 174.600 -0.006 0.000 0.975 183 S CA -0.017 58.181 58.200 -0.003 0.000 0.918 183 S CB -0.148 63.048 63.200 -0.007 0.000 0.772 183 S HN 0.444 nan 8.310 nan 0.000 0.531 184 K N 1.166 121.560 120.400 -0.010 0.000 3.239 184 K HA -0.126 4.184 4.320 -0.018 0.000 0.270 184 K C -0.993 175.594 176.600 -0.022 0.000 1.049 184 K CA 0.923 57.201 56.287 -0.016 0.000 0.769 184 K CB -2.410 30.086 32.500 -0.007 0.000 1.305 184 K HN 0.789 nan 8.250 nan 0.000 0.469 185 E N -0.475 119.708 120.200 -0.027 0.000 2.266 185 E HA 0.443 4.782 4.350 -0.018 0.000 0.268 185 E C -0.383 176.192 176.600 -0.042 0.000 0.879 185 E CA -1.142 55.240 56.400 -0.029 0.000 0.762 185 E CB 2.191 31.879 29.700 -0.020 0.000 1.199 185 E HN -0.055 nan 8.360 nan 0.000 0.422 186 V N 2.911 122.796 119.914 -0.048 0.000 2.353 186 V HA 0.009 4.119 4.120 -0.018 0.000 0.264 186 V C 1.377 177.441 176.094 -0.050 0.000 1.049 186 V CA 0.174 62.435 62.300 -0.065 0.000 0.896 186 V CB 0.367 32.144 31.823 -0.078 0.000 1.025 186 V HN 0.953 nan 8.190 nan 0.000 0.475 187 T N 2.793 117.321 114.554 -0.043 0.000 2.857 187 T HA 0.095 4.435 4.350 -0.018 0.000 0.266 187 T C 0.803 175.462 174.700 -0.068 0.000 1.048 187 T CA 0.601 62.682 62.100 -0.033 0.000 1.139 187 T CB 0.223 69.087 68.868 -0.006 0.000 0.874 187 T HN 0.553 nan 8.240 nan 0.000 0.455 188 R N -0.499 119.919 120.500 -0.137 0.000 2.643 188 R HA 0.669 4.999 4.340 -0.018 0.000 0.269 188 R C -2.147 173.962 176.300 -0.319 0.000 1.037 188 R CA -0.791 55.153 56.100 -0.260 0.000 0.894 188 R CB 2.772 32.807 30.300 -0.442 0.000 1.238 188 R HN 0.043 nan 8.270 nan 0.000 0.459 189 V N 3.994 123.777 119.914 -0.219 0.000 2.482 189 V HA 0.413 4.522 4.120 -0.018 0.000 0.295 189 V C -0.640 175.378 176.094 -0.126 0.000 1.026 189 V CA -0.757 61.478 62.300 -0.109 0.000 0.856 189 V CB 1.858 33.711 31.823 0.049 0.000 1.001 189 V HN 0.537 nan 8.190 nan 0.000 0.424 190 I N 3.883 124.363 120.570 -0.151 0.000 2.339 190 I HA 0.508 4.667 4.170 -0.018 0.000 0.290 190 I C -0.457 175.646 176.117 -0.023 0.000 0.994 190 I CA -0.232 61.010 61.300 -0.097 0.000 1.191 190 I CB 1.672 39.597 38.000 -0.125 0.000 1.343 190 I HN 0.570 nan 8.210 nan 0.000 0.458 191 D N 4.594 124.986 120.400 -0.013 0.000 2.471 191 D HA 0.240 4.870 4.640 -0.018 0.000 0.245 191 D C 0.759 177.071 176.300 0.021 0.000 1.116 191 D CA -0.209 53.789 54.000 -0.003 0.000 0.853 191 D CB 1.607 42.389 40.800 -0.030 0.000 1.123 191 D HN 0.627 nan 8.370 nan 0.000 0.540 192 T N 0.412 115.003 114.554 0.061 0.000 3.086 192 T HA 0.515 4.854 4.350 -0.018 0.000 0.250 192 T C 0.877 175.621 174.700 0.072 0.000 1.074 192 T CA 0.212 62.359 62.100 0.078 0.000 0.988 192 T CB 0.184 69.126 68.868 0.123 0.000 0.988 192 T HN 0.600 nan 8.240 nan 0.000 0.530 193 G N 0.301 109.137 108.800 0.060 0.000 2.335 193 G HA2 0.254 4.203 3.960 -0.018 0.000 0.592 193 G HA3 0.254 4.203 3.960 -0.018 0.000 0.592 193 G C -1.207 173.711 174.900 0.030 0.000 1.442 193 G CA -0.738 44.356 45.100 -0.010 0.000 0.976 193 G HN 0.335 nan 8.290 nan 0.000 0.652 194 V N 0.833 120.710 119.914 -0.060 0.000 2.583 194 V HA 0.662 4.772 4.120 -0.018 0.000 0.287 194 V C -0.051 175.987 176.094 -0.092 0.000 1.051 194 V CA 0.083 62.374 62.300 -0.016 0.000 1.010 194 V CB 0.850 32.642 31.823 -0.051 0.000 0.988 194 V HN 0.554 nan 8.190 nan 0.000 0.478 195 F N 3.950 123.867 119.950 -0.056 0.000 2.546 195 F HA 0.578 5.095 4.527 -0.017 0.000 0.320 195 F C -2.045 173.732 175.800 -0.037 0.000 1.076 195 F CA -2.501 55.472 58.000 -0.044 0.000 0.928 195 F CB 1.637 40.610 39.000 -0.045 0.000 1.189 195 F HN 0.324 nan 8.300 nan 0.000 0.465 196 P HA 0.130 nan 4.420 nan 0.000 0.268 196 P C -0.933 176.428 177.300 0.101 0.000 1.205 196 P CA -0.155 62.998 63.100 0.089 0.000 0.771 196 P CB 0.565 32.307 31.700 0.071 0.000 0.858 197 V N 6.496 126.450 119.914 0.067 0.000 2.408 197 V HA 0.173 4.282 4.120 -0.018 0.000 0.267 197 V C -1.875 174.282 176.094 0.106 0.000 1.047 197 V CA -1.588 60.753 62.300 0.069 0.000 0.937 197 V CB 0.510 32.355 31.823 0.036 0.000 0.999 197 V HN 0.579 nan 8.190 nan 0.000 0.472 198 P HA 0.006 nan 4.420 nan 0.000 0.260 198 P C 0.474 177.943 177.300 0.281 0.000 1.172 198 P CA 0.408 63.597 63.100 0.147 0.000 0.760 198 P CB 0.748 32.497 31.700 0.082 0.000 0.773 199 A N 3.702 126.645 122.820 0.206 0.000 1.984 199 A HA -0.021 4.289 4.320 -0.018 0.000 0.214 199 A C 0.826 178.603 177.584 0.322 0.000 1.173 199 A CA 0.480 52.650 52.037 0.222 0.000 0.673 199 A CB -0.446 18.624 19.000 0.118 0.000 0.830 199 A HN 0.552 nan 8.150 nan 0.000 0.453 200 E N 0.857 121.192 120.200 0.225 0.000 2.442 200 E HA 0.177 4.516 4.350 -0.018 0.000 0.262 200 E C -0.298 176.454 176.600 0.253 0.000 1.004 200 E CA 0.047 56.550 56.400 0.172 0.000 0.928 200 E CB 0.279 30.035 29.700 0.094 0.000 0.937 200 E HN 0.762 nan 8.360 nan 0.000 0.446 201 H N -0.340 118.887 119.070 0.262 0.000 2.505 201 H HA 0.458 5.003 4.556 -0.018 0.000 0.355 201 H C 0.491 175.905 175.328 0.144 0.000 1.179 201 H CA -0.923 55.245 56.048 0.200 0.000 1.343 201 H CB 1.183 31.086 29.762 0.235 0.000 1.501 201 H HN 0.480 nan 8.280 nan 0.000 0.569 202 G N 1.491 110.452 108.800 0.269 0.000 4.433 202 G HA2 0.079 4.029 3.960 -0.018 0.000 0.304 202 G HA3 0.079 4.029 3.960 -0.018 0.000 0.304 202 G C -0.732 174.139 174.900 -0.048 0.000 1.254 202 G CA -0.739 44.380 45.100 0.032 0.000 0.999 202 G HN 0.764 nan 8.290 nan 0.000 0.576 203 N N 1.311 120.111 118.700 0.167 0.000 2.508 203 N HA 0.173 4.902 4.740 -0.018 0.000 0.253 203 N C 0.675 176.092 175.510 -0.154 0.000 1.145 203 N CA -0.601 52.328 53.050 -0.200 0.000 0.973 203 N CB 0.353 38.704 38.487 -0.227 0.000 1.305 203 N HN 0.528 nan 8.380 nan 0.000 0.506 204 Y N -0.017 120.263 120.300 -0.034 0.000 2.680 204 Y HA -0.013 4.526 4.550 -0.017 0.000 0.303 204 Y C 1.679 177.566 175.900 -0.021 0.000 1.166 204 Y CA 0.101 58.171 58.100 -0.050 0.000 1.344 204 Y CB -0.718 37.675 38.460 -0.113 0.000 1.002 204 Y HN 0.324 nan 8.280 nan 0.000 0.537 205 T N -4.216 110.319 114.554 -0.031 0.000 3.044 205 T HA 0.078 4.417 4.350 -0.018 0.000 0.260 205 T C 0.011 174.711 174.700 -0.001 0.000 1.019 205 T CA -0.317 61.794 62.100 0.019 0.000 0.921 205 T CB -0.121 68.745 68.868 -0.003 0.000 1.053 205 T HN 0.208 nan 8.240 nan 0.000 0.533 206 D N 2.615 123.011 120.400 -0.007 0.000 2.325 206 D HA 0.259 4.889 4.640 -0.018 0.000 0.251 206 D C -1.674 174.653 176.300 0.044 0.000 1.196 206 D CA -2.329 51.672 54.000 0.000 0.000 0.866 206 D CB 1.967 42.747 40.800 -0.034 0.000 1.101 206 D HN -0.022 nan 8.370 nan 0.000 0.476 207 P HA -0.184 nan 4.420 nan 0.000 0.217 207 P C 0.992 178.322 177.300 0.051 0.000 1.148 207 P CA 1.346 64.466 63.100 0.034 0.000 0.828 207 P CB 0.123 31.834 31.700 0.019 0.000 0.783 208 E N -1.044 119.197 120.200 0.068 0.000 2.204 208 E HA -0.155 4.185 4.350 -0.018 0.000 0.194 208 E C 1.779 178.441 176.600 0.104 0.000 0.989 208 E CA 0.768 57.220 56.400 0.087 0.000 0.824 208 E CB -0.893 28.875 29.700 0.113 0.000 0.756 208 E HN 0.167 nan 8.360 nan 0.000 0.477 209 L N 1.396 122.700 121.223 0.135 0.000 2.221 209 L HA 0.041 4.370 4.340 -0.018 0.000 0.202 209 L C 2.431 179.347 176.870 0.077 0.000 1.074 209 L CA 2.018 56.929 54.840 0.119 0.000 0.795 209 L CB -0.320 41.856 42.059 0.196 0.000 0.960 209 L HN 0.344 nan 8.230 nan 0.000 0.458 210 T N -2.640 111.958 114.554 0.073 0.000 2.942 210 T HA 0.370 4.710 4.350 -0.018 0.000 0.265 210 T C 1.186 175.910 174.700 0.040 0.000 1.062 210 T CA 0.523 62.654 62.100 0.053 0.000 1.139 210 T CB -0.781 68.118 68.868 0.052 0.000 0.883 210 T HN 0.748 nan 8.240 nan 0.000 0.468 211 G N 2.334 111.159 108.800 0.041 0.000 2.782 211 G HA2 -0.055 3.894 3.960 -0.018 0.000 0.228 211 G HA3 -0.055 3.894 3.960 -0.018 0.000 0.228 211 G C -2.763 172.152 174.900 0.025 0.000 1.372 211 G CA -0.568 44.551 45.100 0.031 0.000 0.862 211 G HN 0.570 nan 8.290 nan 0.000 0.547 212 P HA 0.312 nan 4.420 nan 0.000 0.267 212 P C 0.520 177.829 177.300 0.014 0.000 1.205 212 P CA -0.025 63.084 63.100 0.015 0.000 0.765 212 P CB 0.417 32.124 31.700 0.012 0.000 0.828 213 L N 3.870 125.101 121.223 0.013 0.000 2.453 213 L HA 0.136 4.466 4.340 -0.018 0.000 0.272 213 L C 1.705 178.579 176.870 0.008 0.000 1.182 213 L CA -0.372 54.475 54.840 0.011 0.000 0.858 213 L CB -0.080 41.985 42.059 0.011 0.000 1.120 213 L HN 0.448 nan 8.230 nan 0.000 0.474 214 R N 0.784 121.288 120.500 0.006 0.000 2.679 214 R HA 0.102 4.431 4.340 -0.018 0.000 0.268 214 R C 0.417 176.719 176.300 0.003 0.000 1.044 214 R CA 0.171 56.273 56.100 0.004 0.000 1.105 214 R CB -0.023 30.278 30.300 0.002 0.000 0.989 214 R HN 0.733 nan 8.270 nan 0.000 0.447 215 T N -3.220 111.336 114.554 0.002 0.000 3.132 215 T HA 0.019 4.358 4.350 -0.018 0.000 0.274 215 T C 1.161 175.861 174.700 -0.000 0.000 1.011 215 T CA 0.038 62.139 62.100 0.001 0.000 0.899 215 T CB 0.272 69.142 68.868 0.002 0.000 1.089 215 T HN 0.752 nan 8.240 nan 0.000 0.543 216 T N -0.877 113.676 114.554 -0.001 0.000 3.100 216 T HA 0.163 4.502 4.350 -0.018 0.000 0.253 216 T C 0.724 175.422 174.700 -0.004 0.000 1.118 216 T CA -0.051 62.048 62.100 -0.002 0.000 1.058 216 T CB -0.333 68.533 68.868 -0.003 0.000 0.953 216 T HN 0.419 nan 8.240 nan 0.000 0.515 217 Q N 1.782 121.580 119.800 -0.003 0.000 2.361 217 Q HA 0.337 4.667 4.340 -0.018 0.000 0.250 217 Q C -0.736 175.262 176.000 -0.004 0.000 1.023 217 Q CA -0.414 55.387 55.803 -0.005 0.000 0.915 217 Q CB 0.730 29.465 28.738 -0.005 0.000 1.238 217 Q HN 0.152 nan 8.270 nan 0.000 0.451 218 K N 3.423 123.821 120.400 -0.004 0.000 2.154 218 K HA 0.262 4.571 4.320 -0.018 0.000 0.264 218 K C -2.092 174.507 176.600 -0.003 0.000 1.008 218 K CA -1.456 54.829 56.287 -0.003 0.000 0.937 218 K CB 0.135 32.632 32.500 -0.004 0.000 1.002 218 K HN 0.393 nan 8.250 nan 0.000 0.469 219 P HA 0.121 nan 4.420 nan 0.000 0.268 219 P C -0.706 176.594 177.300 0.000 0.000 1.205 219 P CA -0.027 63.073 63.100 -0.000 0.000 0.771 219 P CB 0.565 32.266 31.700 0.002 0.000 0.858 220 I N 1.637 122.208 120.570 0.001 0.000 2.382 220 I HA 0.125 4.284 4.170 -0.018 0.000 0.285 220 I C 0.485 176.606 176.117 0.006 0.000 1.007 220 I CA -0.378 60.923 61.300 0.003 0.000 1.142 220 I CB 1.178 39.179 38.000 0.002 0.000 1.289 220 I HN 0.329 nan 8.210 nan 0.000 0.453 221 S N 7.894 123.599 115.700 0.008 0.000 2.422 221 S HA 0.639 5.098 4.470 -0.018 0.000 0.298 221 S C -0.458 174.152 174.600 0.016 0.000 1.118 221 S CA -0.466 57.740 58.200 0.011 0.000 1.083 221 S CB 0.262 63.468 63.200 0.010 0.000 0.971 221 S HN 0.418 nan 8.310 nan 0.000 0.478 222 I N 5.404 125.986 120.570 0.020 0.000 2.382 222 I HA 0.378 4.538 4.170 -0.018 0.000 0.285 222 I C 0.152 176.288 176.117 0.030 0.000 1.007 222 I CA -0.383 60.935 61.300 0.030 0.000 1.142 222 I CB 1.755 39.778 38.000 0.037 0.000 1.289 222 I HN 0.678 nan 8.210 nan 0.000 0.453 223 T N 1.824 116.398 114.554 0.034 0.000 2.883 223 T HA 0.509 4.848 4.350 -0.018 0.000 0.296 223 T C -0.810 173.912 174.700 0.038 0.000 1.117 223 T CA -0.922 61.196 62.100 0.031 0.000 1.006 223 T CB 2.256 71.138 68.868 0.022 0.000 1.191 223 T HN 0.486 nan 8.240 nan 0.000 0.508 224 Q N 1.002 120.822 119.800 0.033 0.000 2.616 224 Q HA 0.272 4.601 4.340 -0.018 0.000 0.250 224 Q C -2.192 173.819 176.000 0.017 0.000 0.991 224 Q CA -1.942 53.881 55.803 0.032 0.000 0.707 224 Q CB 1.836 30.596 28.738 0.038 0.000 1.247 224 Q HN 0.488 nan 8.270 nan 0.000 0.491 225 P HA -0.238 nan 4.420 nan 0.000 0.218 225 P C 0.127 177.430 177.300 0.005 0.000 1.154 225 P CA 1.547 64.653 63.100 0.011 0.000 0.872 225 P CB 0.335 32.042 31.700 0.012 0.000 0.790 226 E N -0.975 119.228 120.200 0.004 0.000 2.451 226 E HA 0.375 4.714 4.350 -0.018 0.000 0.194 226 E C 0.804 177.395 176.600 -0.016 0.000 1.027 226 E CA 0.008 56.406 56.400 -0.003 0.000 0.914 226 E CB -0.021 29.678 29.700 0.000 0.000 1.054 226 E HN 0.157 nan 8.360 nan 0.000 0.461 227 G N 3.021 111.809 108.800 -0.020 0.000 2.795 227 G HA2 -0.191 3.758 3.960 -0.018 0.000 0.664 227 G HA3 -0.191 3.758 3.960 -0.018 0.000 0.664 227 G C -2.704 172.153 174.900 -0.071 0.000 1.381 227 G CA -0.922 44.147 45.100 -0.052 0.000 0.853 227 G HN 0.026 nan 8.290 nan 0.000 0.545 228 P HA 0.334 nan 4.420 nan 0.000 0.272 228 P C 0.615 177.809 177.300 -0.176 0.000 1.230 228 P CA 0.106 63.066 63.100 -0.232 0.000 0.788 228 P CB 1.181 32.454 31.700 -0.712 0.000 0.949 229 S N 0.146 115.878 115.700 0.052 0.000 2.558 229 S HA 0.112 4.571 4.470 -0.018 0.000 0.217 229 S C 0.669 175.436 174.600 0.278 0.000 0.975 229 S CA 0.102 58.399 58.200 0.162 0.000 0.912 229 S CB -0.786 62.566 63.200 0.254 0.000 0.776 229 S HN 0.569 nan 8.310 nan 0.000 0.526 230 F N 1.850 121.992 119.950 0.321 0.000 2.432 230 F HA 0.758 5.275 4.527 -0.018 0.000 0.329 230 F C 0.102 175.992 175.800 0.150 0.000 1.076 230 F CA -1.156 57.023 58.000 0.298 0.000 1.018 230 F CB 0.445 39.602 39.000 0.262 0.000 1.201 230 F HN -0.140 nan 8.300 nan 0.000 0.489 231 T N -0.097 114.654 114.554 0.327 0.000 2.885 231 T HA 0.751 5.091 4.350 -0.018 0.000 0.285 231 T C -1.119 173.747 174.700 0.278 0.000 1.019 231 T CA -0.811 61.408 62.100 0.199 0.000 1.010 231 T CB 1.551 70.504 68.868 0.142 0.000 1.022 231 T HN 0.682 nan 8.240 nan 0.000 0.466 232 V N 3.281 123.325 119.914 0.216 0.000 2.407 232 V HA 0.681 4.790 4.120 -0.018 0.000 0.291 232 V C 0.330 176.520 176.094 0.160 0.000 1.018 232 V CA -0.648 61.773 62.300 0.202 0.000 0.842 232 V CB 1.232 33.178 31.823 0.204 0.000 0.996 232 V HN 1.301 nan 8.190 nan 0.000 0.426 233 T N 0.145 114.811 114.554 0.186 0.000 2.916 233 T HA 0.689 5.028 4.350 -0.018 0.000 0.292 233 T C 0.836 175.621 174.700 0.143 0.000 1.055 233 T CA -0.077 62.111 62.100 0.146 0.000 1.009 233 T CB 1.790 70.738 68.868 0.135 0.000 1.118 233 T HN 1.719 nan 8.240 nan 0.000 0.497 234 G N -0.193 108.661 108.800 0.090 0.000 2.233 234 G HA2 0.102 4.052 3.960 -0.018 0.000 0.270 234 G HA3 0.102 4.052 3.960 -0.018 0.000 0.270 234 G C 1.340 176.293 174.900 0.089 0.000 1.011 234 G CA 0.993 46.139 45.100 0.078 0.000 0.762 234 G HN 2.399 nan 8.290 nan 0.000 0.511 235 G N -0.115 108.738 108.800 0.089 0.000 2.458 235 G HA2 -0.290 3.660 3.960 -0.018 0.000 0.237 235 G HA3 -0.290 3.660 3.960 -0.018 0.000 0.237 235 G C 0.896 175.849 174.900 0.089 0.000 1.113 235 G CA 1.345 46.493 45.100 0.080 0.000 0.655 235 G HN 2.227 nan 8.290 nan 0.000 0.513 236 N N -0.513 118.252 118.700 0.108 0.000 2.217 236 N HA 0.097 4.826 4.740 -0.018 0.000 0.239 236 N C -0.312 175.262 175.510 0.107 0.000 1.330 236 N CA 0.142 53.248 53.050 0.093 0.000 0.838 236 N CB -0.382 38.154 38.487 0.081 0.000 1.287 236 N HN 0.585 nan 8.380 nan 0.000 0.498 237 H N 1.635 120.740 119.070 0.058 0.000 2.604 237 H HA 0.327 4.873 4.556 -0.018 0.000 0.306 237 H C -0.767 174.605 175.328 0.074 0.000 1.075 237 H CA -0.255 55.827 56.048 0.056 0.000 1.357 237 H CB 0.974 30.771 29.762 0.060 0.000 1.426 237 H HN -0.023 nan 8.280 nan 0.000 0.470 238 I N 4.655 124.994 120.570 -0.385 0.000 2.412 238 I HA 0.237 4.396 4.170 -0.018 0.000 0.296 238 I C 0.155 176.161 176.117 -0.184 0.000 0.987 238 I CA -0.550 60.644 61.300 -0.177 0.000 1.180 238 I CB 1.605 39.510 38.000 -0.159 0.000 1.340 238 I HN 0.587 nan 8.210 nan 0.000 0.455 239 E N 5.278 125.529 120.200 0.085 0.000 2.241 239 E HA 0.333 4.673 4.350 -0.018 0.000 0.263 239 E C -1.789 175.008 176.600 0.327 0.000 0.882 239 E CA -0.545 55.953 56.400 0.162 0.000 0.769 239 E CB 2.848 32.651 29.700 0.172 0.000 1.185 239 E HN 0.598 nan 8.360 nan 0.000 0.415 240 W N 3.702 125.069 121.300 0.113 0.000 3.326 240 W HA 0.144 4.793 4.660 -0.017 0.000 0.333 240 W C -0.552 176.065 176.519 0.164 0.000 1.108 240 W CA -0.390 57.047 57.345 0.154 0.000 1.245 240 W CB 0.947 30.492 29.460 0.142 0.000 1.331 240 W HN 0.342 nan 8.180 nan 0.000 0.464 241 E N 5.984 125.826 120.200 -0.597 0.000 2.149 241 E HA -0.322 4.018 4.350 -0.018 0.000 0.191 241 E C 0.569 176.875 176.600 -0.491 0.000 1.384 241 E CA 1.880 57.864 56.400 -0.693 0.000 0.698 241 E CB -0.969 27.927 29.700 -1.341 0.000 1.086 241 E HN 0.889 nan 8.360 nan 0.000 0.338 242 K N -3.853 116.296 120.400 -0.419 0.000 3.615 242 K HA -0.247 4.063 4.320 -0.018 0.000 0.269 242 K C 0.220 176.410 176.600 -0.682 0.000 1.107 242 K CA 1.791 57.677 56.287 -0.670 0.000 1.059 242 K CB -1.414 30.375 32.500 -1.186 0.000 1.317 242 K HN 0.259 nan 8.250 nan 0.000 0.494 243 W N 1.843 122.948 121.300 -0.325 0.000 2.184 243 W HA 0.403 5.053 4.660 -0.017 0.000 0.338 243 W C 0.735 177.234 176.519 -0.033 0.000 1.257 243 W CA 0.027 57.323 57.345 -0.081 0.000 1.243 243 W CB 1.285 30.841 29.460 0.160 0.000 1.122 243 W HN 0.015 nan 8.180 nan 0.000 0.585 244 S N 3.945 119.806 115.700 0.269 0.000 2.548 244 S HA 0.834 5.293 4.470 -0.018 0.000 0.276 244 S C -1.149 173.476 174.600 0.041 0.000 1.129 244 S CA -0.744 57.513 58.200 0.096 0.000 0.931 244 S CB 0.192 63.465 63.200 0.122 0.000 1.068 244 S HN 0.596 nan 8.310 nan 0.000 0.480 245 L N 1.016 122.140 121.223 -0.164 0.000 3.020 245 L HA 0.738 5.068 4.340 -0.018 0.000 0.273 245 L C -2.144 174.589 176.870 -0.227 0.000 1.018 245 L CA -1.046 53.702 54.840 -0.153 0.000 0.950 245 L CB 1.613 43.594 42.059 -0.131 0.000 1.510 245 L HN 0.413 nan 8.230 nan 0.000 0.404 246 D N 1.433 121.765 120.400 -0.113 0.000 2.375 246 D HA 0.488 5.118 4.640 -0.018 0.000 0.247 246 D C -0.804 175.495 176.300 -0.001 0.000 1.061 246 D CA -0.266 53.723 54.000 -0.019 0.000 0.834 246 D CB 3.220 44.047 40.800 0.045 0.000 1.247 246 D HN 0.374 nan 8.370 nan 0.000 0.489 247 V N 2.175 122.088 119.914 -0.003 0.000 2.348 247 V HA 0.490 4.600 4.120 -0.018 0.000 0.270 247 V C 0.959 177.103 176.094 0.083 0.000 1.037 247 V CA -0.369 61.923 62.300 -0.012 0.000 0.872 247 V CB 1.090 32.884 31.823 -0.049 0.000 1.002 247 V HN 0.597 nan 8.190 nan 0.000 0.464 248 G N 3.164 112.049 108.800 0.141 0.000 2.521 248 G HA2 0.720 4.670 3.960 -0.018 0.000 0.323 248 G HA3 0.720 4.670 3.960 -0.018 0.000 0.323 248 G C -1.555 173.439 174.900 0.157 0.000 1.211 248 G CA -0.487 44.731 45.100 0.197 0.000 0.979 248 G HN 0.479 nan 8.290 nan 0.000 0.490 249 F N -0.083 119.845 119.950 -0.036 0.000 2.588 249 F HA 0.496 5.013 4.527 -0.018 0.000 0.318 249 F C -1.478 174.268 175.800 -0.090 0.000 1.155 249 F CA -0.923 57.007 58.000 -0.117 0.000 0.967 249 F CB 2.526 41.443 39.000 -0.139 0.000 1.236 249 F HN 0.527 nan 8.300 nan 0.000 0.455 250 D N 3.857 123.865 120.400 -0.654 0.000 2.646 250 D HA 0.312 4.942 4.640 -0.018 0.000 0.245 250 D C 0.244 176.188 176.300 -0.593 0.000 1.099 250 D CA -0.570 53.195 54.000 -0.391 0.000 0.849 250 D CB 2.410 43.104 40.800 -0.176 0.000 1.448 250 D HN 0.379 nan 8.370 nan 0.000 0.489 251 V N 4.381 124.134 119.914 -0.269 0.000 2.568 251 V HA -0.149 3.961 4.120 -0.018 0.000 0.253 251 V C 2.034 178.059 176.094 -0.115 0.000 1.072 251 V CA 2.232 64.425 62.300 -0.178 0.000 1.084 251 V CB -0.389 31.382 31.823 -0.087 0.000 0.676 251 V HN 0.641 nan 8.190 nan 0.000 0.469 252 R N -0.483 120.009 120.500 -0.014 0.000 2.052 252 R HA -0.039 4.290 4.340 -0.018 0.000 0.224 252 R C 2.248 178.487 176.300 -0.102 0.000 1.149 252 R CA 1.617 57.700 56.100 -0.028 0.000 0.962 252 R CB -0.249 29.991 30.300 -0.098 0.000 0.856 252 R HN 0.582 nan 8.270 nan 0.000 0.433 253 E N -0.477 119.641 120.200 -0.136 0.000 2.230 253 E HA 0.115 4.454 4.350 -0.018 0.000 0.192 253 E C 0.765 177.186 176.600 -0.299 0.000 0.987 253 E CA 0.444 56.766 56.400 -0.131 0.000 0.841 253 E CB 0.405 30.073 29.700 -0.053 0.000 0.783 253 E HN 0.580 nan 8.360 nan 0.000 0.481 254 G N 0.677 109.082 108.800 -0.658 0.000 2.481 254 G HA2 -0.284 3.666 3.960 -0.018 0.000 0.230 254 G HA3 -0.284 3.666 3.960 -0.018 0.000 0.230 254 G C -0.166 174.123 174.900 -1.018 0.000 1.210 254 G CA -0.367 44.008 45.100 -1.209 0.000 0.936 254 G HN 0.100 nan 8.290 nan 0.000 0.583 255 V N 0.723 120.222 119.914 -0.692 0.000 2.585 255 V HA 0.420 4.529 4.120 -0.018 0.000 0.296 255 V C 0.740 176.758 176.094 -0.128 0.000 1.035 255 V CA 0.245 62.457 62.300 -0.146 0.000 1.084 255 V CB 0.965 32.889 31.823 0.168 0.000 0.953 255 V HN 0.936 nan 8.190 nan 0.000 0.483 256 V N 6.646 126.436 119.914 -0.205 0.000 2.588 256 V HA 0.462 4.572 4.120 -0.018 0.000 0.304 256 V C -0.254 175.546 176.094 -0.489 0.000 1.042 256 V CA -0.638 61.446 62.300 -0.361 0.000 0.877 256 V CB 1.900 33.524 31.823 -0.332 0.000 0.996 256 V HN 0.607 nan 8.190 nan 0.000 0.425 257 L N 5.017 125.821 121.223 -0.698 0.000 2.282 257 L HA 0.620 4.949 4.340 -0.018 0.000 0.288 257 L C -0.342 176.160 176.870 -0.614 0.000 1.033 257 L CA -0.512 53.959 54.840 -0.615 0.000 0.807 257 L CB 0.910 42.517 42.059 -0.753 0.000 1.209 257 L HN 0.622 nan 8.230 nan 0.000 0.423 258 H N 3.661 122.557 119.070 -0.289 0.000 2.569 258 H HA 0.273 4.818 4.556 -0.018 0.000 0.357 258 H C -0.161 174.957 175.328 -0.350 0.000 1.153 258 H CA -0.728 55.123 56.048 -0.328 0.000 1.193 258 H CB 1.884 31.404 29.762 -0.403 0.000 1.602 258 H HN 0.571 nan 8.280 nan 0.000 0.523 259 N N 1.373 119.932 118.700 -0.234 0.000 2.705 259 N HA -0.199 4.530 4.740 -0.018 0.000 0.255 259 N C -0.287 175.161 175.510 -0.103 0.000 1.008 259 N CA 0.496 53.421 53.050 -0.208 0.000 0.742 259 N CB -1.245 37.066 38.487 -0.292 0.000 0.906 259 N HN 0.544 nan 8.380 nan 0.000 0.541 260 I N 0.528 121.046 120.570 -0.087 0.000 2.517 260 I HA 0.244 4.403 4.170 -0.018 0.000 0.285 260 I C 1.002 177.179 176.117 0.100 0.000 1.106 260 I CA 0.223 61.539 61.300 0.027 0.000 1.402 260 I CB 0.538 38.537 38.000 -0.002 0.000 1.399 260 I HN 0.324 nan 8.210 nan 0.000 0.535 261 A N 6.934 129.879 122.820 0.208 0.000 2.594 261 A HA 0.785 5.094 4.320 -0.018 0.000 0.291 261 A C -1.623 176.097 177.584 0.226 0.000 1.105 261 A CA -0.446 51.696 52.037 0.174 0.000 0.694 261 A CB 1.628 20.685 19.000 0.095 0.000 1.291 261 A HN 0.520 nan 8.150 nan 0.000 0.410 262 F N 0.447 120.387 119.950 -0.016 0.000 2.518 262 F HA 0.648 5.165 4.527 -0.017 0.000 0.323 262 F C 0.256 176.061 175.800 0.008 0.000 1.129 262 F CA -0.540 57.380 58.000 -0.133 0.000 0.920 262 F CB 1.835 40.690 39.000 -0.241 0.000 1.160 262 F HN 0.624 nan 8.300 nan 0.000 0.440 263 R N 4.177 124.585 120.500 -0.154 0.000 2.272 263 R HA 0.175 4.505 4.340 -0.018 0.000 0.334 263 R C -1.262 175.131 176.300 0.155 0.000 1.117 263 R CA -0.006 56.086 56.100 -0.014 0.000 0.966 263 R CB -0.204 30.023 30.300 -0.121 0.000 1.049 263 R HN 0.531 nan 8.270 nan 0.000 0.477 264 D N 4.187 124.765 120.400 0.296 0.000 2.443 264 D HA 0.353 4.982 4.640 -0.018 0.000 0.221 264 D C 0.773 177.166 176.300 0.155 0.000 1.097 264 D CA 0.944 55.145 54.000 0.334 0.000 0.865 264 D CB 0.930 41.957 40.800 0.378 0.000 1.034 264 D HN 0.724 nan 8.370 nan 0.000 0.511 265 G N 4.750 113.617 108.800 0.110 0.000 2.543 265 G HA2 -0.311 3.638 3.960 -0.018 0.000 0.286 265 G HA3 -0.311 3.638 3.960 -0.018 0.000 0.286 265 G C 0.626 175.549 174.900 0.039 0.000 1.153 265 G CA 0.442 45.577 45.100 0.059 0.000 0.968 265 G HN 0.605 nan 8.290 nan 0.000 0.544 266 D N 1.425 121.843 120.400 0.030 0.000 2.349 266 D HA 0.099 4.728 4.640 -0.018 0.000 0.214 266 D C 1.058 177.371 176.300 0.022 0.000 1.063 266 D CA 0.570 54.582 54.000 0.020 0.000 0.847 266 D CB 0.057 40.865 40.800 0.013 0.000 0.933 266 D HN 0.930 nan 8.370 nan 0.000 0.513 267 R N 0.120 120.640 120.500 0.032 0.000 2.599 267 R HA 0.536 4.866 4.340 -0.018 0.000 0.295 267 R C -1.037 175.295 176.300 0.052 0.000 0.963 267 R CA -1.066 55.052 56.100 0.030 0.000 0.883 267 R CB 1.600 31.908 30.300 0.013 0.000 1.171 267 R HN -0.084 nan 8.270 nan 0.000 0.450 268 L N 3.302 124.551 121.223 0.044 0.000 2.283 268 L HA 0.336 4.666 4.340 -0.018 0.000 0.287 268 L C -0.574 176.337 176.870 0.067 0.000 1.073 268 L CA -0.161 54.716 54.840 0.061 0.000 0.822 268 L CB 0.456 42.543 42.059 0.046 0.000 1.186 268 L HN 0.607 nan 8.230 nan 0.000 0.436 269 R N 7.208 127.782 120.500 0.124 0.000 2.229 269 R HA 0.441 4.770 4.340 -0.018 0.000 0.332 269 R C -2.331 174.065 176.300 0.160 0.000 0.989 269 R CA -1.769 54.411 56.100 0.134 0.000 0.842 269 R CB 0.763 31.165 30.300 0.170 0.000 1.119 269 R HN 0.501 nan 8.270 nan 0.000 0.456 270 P HA 0.082 nan 4.420 nan 0.000 0.272 270 P C -0.116 177.180 177.300 -0.006 0.000 1.223 270 P CA 0.079 63.171 63.100 -0.012 0.000 0.784 270 P CB 1.285 32.902 31.700 -0.138 0.000 0.923 271 I N 0.608 121.118 120.570 -0.100 0.000 3.990 271 I HA 0.248 4.407 4.170 -0.018 0.000 0.275 271 I C 0.693 176.678 176.117 -0.219 0.000 1.157 271 I CA 0.206 61.354 61.300 -0.254 0.000 1.338 271 I CB 0.417 38.155 38.000 -0.438 0.000 1.588 271 I HN 0.136 nan 8.210 nan 0.000 0.441 272 I N 1.573 122.046 120.570 -0.162 0.000 2.478 272 I HA 0.168 4.328 4.170 -0.018 0.000 0.287 272 I C 0.639 176.676 176.117 -0.134 0.000 1.042 272 I CA -0.234 60.983 61.300 -0.138 0.000 1.067 272 I CB 2.072 39.994 38.000 -0.131 0.000 1.233 272 I HN 0.123 nan 8.210 nan 0.000 0.431 273 N N 5.516 124.154 118.700 -0.103 0.000 2.171 273 N HA -0.002 4.728 4.740 -0.018 0.000 0.184 273 N C 0.540 175.990 175.510 -0.100 0.000 1.021 273 N CA 1.039 54.046 53.050 -0.071 0.000 0.854 273 N CB 0.540 39.089 38.487 0.104 0.000 0.994 273 N HN 0.553 nan 8.380 nan 0.000 0.426 274 R N -0.155 120.262 120.500 -0.137 0.000 2.515 274 R HA 0.467 4.797 4.340 -0.018 0.000 0.278 274 R C -2.105 174.028 176.300 -0.278 0.000 1.107 274 R CA -0.504 55.451 56.100 -0.243 0.000 0.945 274 R CB 1.770 31.973 30.300 -0.162 0.000 1.219 274 R HN 0.043 nan 8.270 nan 0.000 0.434 275 A N 2.361 124.939 122.820 -0.403 0.000 2.356 275 A HA 0.748 5.058 4.320 -0.018 0.000 0.310 275 A C -1.031 176.303 177.584 -0.418 0.000 1.075 275 A CA -0.400 51.408 52.037 -0.380 0.000 0.746 275 A CB 1.578 20.258 19.000 -0.535 0.000 1.221 275 A HN 0.838 nan 8.150 nan 0.000 0.443 276 S N 1.235 116.871 115.700 -0.108 0.000 2.615 276 S HA 0.672 5.131 4.470 -0.018 0.000 0.269 276 S C -1.210 173.501 174.600 0.184 0.000 1.161 276 S CA -0.709 57.513 58.200 0.037 0.000 0.817 276 S CB 0.883 64.035 63.200 -0.080 0.000 1.131 276 S HN 0.558 nan 8.310 nan 0.000 0.467 277 I N 2.186 122.883 120.570 0.212 0.000 2.307 277 I HA 0.420 4.580 4.170 -0.018 0.000 0.287 277 I C 1.305 177.518 176.117 0.160 0.000 1.054 277 I CA -0.547 60.870 61.300 0.196 0.000 1.218 277 I CB 0.281 38.474 38.000 0.321 0.000 1.398 277 I HN 0.989 nan 8.210 nan 0.000 0.475 278 A N 5.089 127.985 122.820 0.126 0.000 2.167 278 A HA 0.091 4.400 4.320 -0.018 0.000 0.214 278 A C 0.760 178.414 177.584 0.117 0.000 1.151 278 A CA 0.935 53.075 52.037 0.170 0.000 0.735 278 A CB 0.105 19.222 19.000 0.195 0.000 0.802 278 A HN 0.655 nan 8.150 nan 0.000 0.467 279 E N -1.975 118.234 120.200 0.015 0.000 2.396 279 E HA 0.567 4.906 4.350 -0.018 0.000 0.280 279 E C -1.169 175.422 176.600 -0.015 0.000 1.065 279 E CA -0.362 56.003 56.400 -0.058 0.000 0.831 279 E CB 0.910 30.403 29.700 -0.345 0.000 1.272 279 E HN 0.276 nan 8.360 nan 0.000 0.443 280 M N 3.922 123.529 119.600 0.011 0.000 2.255 280 M HA 0.570 5.039 4.480 -0.018 0.000 0.275 280 M C -2.034 174.161 176.300 -0.175 0.000 1.050 280 M CA -0.765 54.432 55.300 -0.171 0.000 0.978 280 M CB 1.616 34.088 32.600 -0.213 0.000 1.761 280 M HN 0.401 nan 8.290 nan 0.000 0.479 281 V N 5.518 125.262 119.914 -0.283 0.000 2.680 281 V HA 0.787 4.896 4.120 -0.018 0.000 0.309 281 V C -1.497 174.366 176.094 -0.384 0.000 1.052 281 V CA -0.340 61.688 62.300 -0.454 0.000 0.908 281 V CB 2.320 33.727 31.823 -0.692 0.000 1.001 281 V HN 0.729 nan 8.190 nan 0.000 0.431 282 V N 8.529 128.281 119.914 -0.271 0.000 2.276 282 V HA 0.422 4.531 4.120 -0.018 0.000 0.268 282 V C -2.445 173.548 176.094 -0.169 0.000 1.032 282 V CA -1.288 60.891 62.300 -0.201 0.000 0.810 282 V CB 1.351 33.208 31.823 0.057 0.000 1.060 282 V HN 0.822 nan 8.190 nan 0.000 0.446 283 P HA 0.351 nan 4.420 nan 0.000 0.292 283 P C -1.318 175.843 177.300 -0.232 0.000 1.287 283 P CA -0.359 62.632 63.100 -0.182 0.000 0.800 283 P CB 1.162 32.751 31.700 -0.186 0.000 0.945 284 Y N 0.805 121.000 120.300 -0.174 0.000 2.334 284 Y HA 0.458 4.997 4.550 -0.017 0.000 0.328 284 Y C 1.756 177.606 175.900 -0.084 0.000 1.130 284 Y CA 0.312 58.339 58.100 -0.122 0.000 1.163 284 Y CB 1.359 39.671 38.460 -0.247 0.000 1.207 284 Y HN 0.482 nan 8.280 nan 0.000 0.471 285 G N 1.304 110.138 108.800 0.057 0.000 3.707 285 G HA2 0.011 3.960 3.960 -0.018 0.000 0.286 285 G HA3 0.011 3.960 3.960 -0.018 0.000 0.286 285 G C -0.701 174.231 174.900 0.053 0.000 1.112 285 G CA -0.177 44.959 45.100 0.061 0.000 0.861 285 G HN 0.514 nan 8.290 nan 0.000 0.534 286 D N 1.058 121.474 120.400 0.027 0.000 2.317 286 D HA 0.266 4.895 4.640 -0.018 0.000 0.234 286 D C -1.088 175.183 176.300 -0.048 0.000 1.112 286 D CA -2.412 51.569 54.000 -0.031 0.000 0.840 286 D CB 2.299 43.076 40.800 -0.038 0.000 1.078 286 D HN 0.030 nan 8.370 nan 0.000 0.486 287 P HA -0.031 nan 4.420 nan 0.000 0.242 287 P C 0.365 177.648 177.300 -0.028 0.000 1.197 287 P CA -0.031 63.054 63.100 -0.026 0.000 0.765 287 P CB 0.159 31.855 31.700 -0.006 0.000 0.936 288 S N 1.553 117.228 115.700 -0.042 0.000 2.552 288 S HA 0.084 4.544 4.470 -0.018 0.000 0.289 288 S C -1.346 173.248 174.600 -0.010 0.000 1.304 288 S CA -0.871 57.315 58.200 -0.024 0.000 1.063 288 S CB 0.300 63.468 63.200 -0.053 0.000 0.848 288 S HN -0.070 nan 8.310 nan 0.000 0.499 289 P HA -0.043 nan 4.420 nan 0.000 0.221 289 P C 0.901 178.327 177.300 0.210 0.000 1.145 289 P CA 0.703 63.874 63.100 0.118 0.000 0.795 289 P CB 0.018 31.794 31.700 0.127 0.000 0.775 290 I N -1.094 119.557 120.570 0.134 0.000 2.493 290 I HA -0.138 4.021 4.170 -0.018 0.000 0.254 290 I C 1.871 178.082 176.117 0.156 0.000 1.160 290 I CA 1.608 63.029 61.300 0.201 0.000 1.445 290 I CB -0.470 37.560 38.000 0.049 0.000 1.086 290 I HN -0.121 nan 8.210 nan 0.000 0.433 291 R N -1.092 119.285 120.500 -0.205 0.000 2.541 291 R HA 0.154 4.484 4.340 -0.018 0.000 0.332 291 R C 1.851 177.658 176.300 -0.821 0.000 0.951 291 R CA 0.633 56.301 56.100 -0.719 0.000 1.136 291 R CB 0.179 30.211 30.300 -0.447 0.000 1.449 291 R HN 0.292 nan 8.270 nan 0.000 0.531 292 S N 0.790 116.213 115.700 -0.462 0.000 2.500 292 S HA -0.109 4.350 4.470 -0.018 0.000 0.239 292 S C 1.323 175.700 174.600 -0.372 0.000 0.989 292 S CA 0.382 58.399 58.200 -0.304 0.000 0.951 292 S CB -0.385 62.735 63.200 -0.134 0.000 0.759 292 S HN 0.620 nan 8.310 nan 0.000 0.523 293 W N 0.555 121.663 121.300 -0.321 0.000 3.278 293 W HA 0.396 5.045 4.660 -0.017 0.000 0.308 293 W C 0.456 176.937 176.519 -0.064 0.000 1.253 293 W CA -0.690 56.373 57.345 -0.470 0.000 1.759 293 W CB -0.626 28.477 29.460 -0.595 0.000 1.093 293 W HN 0.284 nan 8.180 nan 0.000 0.648 294 Q N 2.961 122.271 119.800 -0.817 0.000 2.286 294 Q HA 0.103 4.433 4.340 -0.018 0.000 0.265 294 Q C -0.784 175.013 176.000 -0.338 0.000 1.080 294 Q CA 0.662 55.981 55.803 -0.806 0.000 0.906 294 Q CB 0.121 28.072 28.738 -1.313 0.000 1.227 294 Q HN 0.017 nan 8.270 nan 0.000 0.409 295 N N 4.598 123.169 118.700 -0.216 0.000 2.572 295 N HA 0.138 4.868 4.740 -0.018 0.000 0.287 295 N C -1.874 173.610 175.510 -0.044 0.000 1.136 295 N CA -0.408 52.579 53.050 -0.105 0.000 0.900 295 N CB 1.108 39.651 38.487 0.094 0.000 1.484 295 N HN 0.415 nan 8.380 nan 0.000 0.526 296 Y N 1.044 121.397 120.300 0.088 0.000 2.341 296 Y HA 0.401 4.940 4.550 -0.018 0.000 0.340 296 Y C 0.106 176.043 175.900 0.062 0.000 0.997 296 Y CA -0.538 57.678 58.100 0.194 0.000 1.149 296 Y CB 0.562 39.058 38.460 0.060 0.000 1.171 296 Y HN 0.364 nan 8.280 nan 0.000 0.494 297 F N 3.366 123.562 119.950 0.411 0.000 2.318 297 F HA 0.232 4.749 4.527 -0.018 0.000 0.356 297 F C 1.052 177.061 175.800 0.348 0.000 1.109 297 F CA -0.761 57.403 58.000 0.272 0.000 1.234 297 F CB 0.282 39.405 39.000 0.205 0.000 1.545 297 F HN 0.606 nan 8.300 nan 0.000 0.534 298 D N 0.491 121.087 120.400 0.327 0.000 2.133 298 D HA -0.171 4.458 4.640 -0.018 0.000 0.195 298 D C 1.915 178.414 176.300 0.331 0.000 0.997 298 D CA 1.901 56.061 54.000 0.267 0.000 0.840 298 D CB 0.063 40.905 40.800 0.070 0.000 0.947 298 D HN 0.369 nan 8.370 nan 0.000 0.452 299 T N 0.045 114.742 114.554 0.239 0.000 2.706 299 T HA -0.021 4.319 4.350 -0.018 0.000 0.255 299 T C 2.047 176.815 174.700 0.113 0.000 1.048 299 T CA 1.382 63.579 62.100 0.161 0.000 1.153 299 T CB -0.672 68.257 68.868 0.100 0.000 0.865 299 T HN 0.236 nan 8.240 nan 0.000 0.414 300 G N 0.898 109.768 108.800 0.115 0.000 2.408 300 G HA2 -0.137 3.812 3.960 -0.018 0.000 0.217 300 G HA3 -0.137 3.812 3.960 -0.018 0.000 0.217 300 G C 1.454 176.387 174.900 0.056 0.000 1.150 300 G CA 0.614 45.709 45.100 -0.009 0.000 0.776 300 G HN 0.510 nan 8.290 nan 0.000 0.542 301 E N -1.139 119.198 120.200 0.228 0.000 2.162 301 E HA 0.084 4.424 4.350 -0.018 0.000 0.193 301 E C 1.917 178.598 176.600 0.135 0.000 0.953 301 E CA 0.344 56.833 56.400 0.149 0.000 0.849 301 E CB 0.072 29.886 29.700 0.190 0.000 0.810 301 E HN 0.543 nan 8.360 nan 0.000 0.470 302 Y N 0.066 120.549 120.300 0.305 0.000 2.479 302 Y HA 0.269 4.809 4.550 -0.018 0.000 0.283 302 Y C 0.171 176.313 175.900 0.403 0.000 1.109 302 Y CA 0.098 58.450 58.100 0.420 0.000 1.239 302 Y CB 0.459 39.172 38.460 0.422 0.000 1.108 302 Y HN -0.149 nan 8.280 nan 0.000 0.548 303 L N 0.730 122.200 121.223 0.411 0.000 2.706 303 L HA -0.186 4.144 4.340 -0.018 0.000 0.666 303 L C 0.984 178.024 176.870 0.284 0.000 1.021 303 L CA -0.031 54.954 54.840 0.240 0.000 1.360 303 L CB -1.549 40.612 42.059 0.169 0.000 1.957 303 L HN 0.141 nan 8.230 nan 0.000 0.920 304 V N -0.450 119.618 119.914 0.256 0.000 2.490 304 V HA -0.114 3.995 4.120 -0.018 0.000 0.250 304 V C 2.178 178.424 176.094 0.253 0.000 1.061 304 V CA 2.192 64.681 62.300 0.315 0.000 1.064 304 V CB -0.540 31.442 31.823 0.264 0.000 0.670 304 V HN 0.856 nan 8.190 nan 0.000 0.461 305 G N -0.068 108.740 108.800 0.014 0.000 2.422 305 G HA2 -0.325 3.625 3.960 -0.018 0.000 0.218 305 G HA3 -0.325 3.625 3.960 -0.018 0.000 0.218 305 G C 1.570 176.556 174.900 0.144 0.000 1.146 305 G CA 0.931 45.978 45.100 -0.090 0.000 0.769 305 G HN 0.685 nan 8.290 nan 0.000 0.547 306 Q N -0.696 119.093 119.800 -0.018 0.000 2.181 306 Q HA -0.144 4.185 4.340 -0.018 0.000 0.205 306 Q C 1.191 177.007 176.000 -0.306 0.000 0.980 306 Q CA 1.222 56.897 55.803 -0.213 0.000 0.862 306 Q CB -0.228 28.247 28.738 -0.439 0.000 0.905 306 Q HN 0.590 nan 8.270 nan 0.000 0.429 307 Y N -0.069 120.373 120.300 0.237 0.000 2.571 307 Y HA 0.461 5.000 4.550 -0.018 0.000 0.275 307 Y C 0.416 176.476 175.900 0.266 0.000 1.179 307 Y CA -0.348 57.887 58.100 0.226 0.000 1.242 307 Y CB -0.070 38.516 38.460 0.208 0.000 1.126 307 Y HN 0.122 nan 8.280 nan 0.000 0.524 308 A N 0.934 123.986 122.820 0.386 0.000 2.540 308 A HA 0.071 4.380 4.320 -0.018 0.000 0.239 308 A C 0.307 178.076 177.584 0.308 0.000 1.061 308 A CA -0.206 52.096 52.037 0.441 0.000 0.758 308 A CB -0.185 19.076 19.000 0.435 0.000 0.991 308 A HN 0.600 nan 8.150 nan 0.000 0.502 309 N N 0.652 119.544 118.700 0.320 0.000 2.483 309 N HA 0.299 5.028 4.740 -0.018 0.000 0.269 309 N C -0.411 175.188 175.510 0.148 0.000 1.209 309 N CA -0.328 52.849 53.050 0.211 0.000 0.969 309 N CB 0.685 39.289 38.487 0.195 0.000 1.173 309 N HN 0.549 nan 8.380 nan 0.000 0.475 310 S N 1.286 117.034 115.700 0.080 0.000 2.465 310 S HA 0.239 4.699 4.470 -0.018 0.000 0.279 310 S C -0.061 174.553 174.600 0.023 0.000 1.201 310 S CA -0.613 57.599 58.200 0.019 0.000 1.053 310 S CB 0.061 63.250 63.200 -0.017 0.000 0.953 310 S HN 0.269 nan 8.310 nan 0.000 0.488 311 L N 3.789 125.036 121.223 0.040 0.000 2.281 311 L HA 0.358 4.688 4.340 -0.018 0.000 0.285 311 L C 0.455 177.349 176.870 0.041 0.000 1.074 311 L CA -0.640 54.255 54.840 0.092 0.000 0.817 311 L CB 0.472 42.674 42.059 0.238 0.000 1.168 311 L HN 0.429 nan 8.230 nan 0.000 0.434 312 E N 3.079 123.301 120.200 0.036 0.000 2.289 312 E HA 0.196 4.535 4.350 -0.018 0.000 0.278 312 E C -0.366 176.294 176.600 0.101 0.000 1.032 312 E CA -0.803 55.613 56.400 0.027 0.000 0.854 312 E CB 1.961 31.664 29.700 0.004 0.000 1.046 312 E HN 0.281 nan 8.360 nan 0.000 0.409 313 L N 1.834 123.137 121.223 0.133 0.000 2.485 313 L HA 0.205 4.535 4.340 -0.018 0.000 0.275 313 L C 1.407 178.321 176.870 0.073 0.000 1.207 313 L CA 1.807 56.746 54.840 0.164 0.000 0.855 313 L CB 0.287 42.455 42.059 0.182 0.000 1.114 313 L HN 0.796 nan 8.230 nan 0.000 0.485 314 G N 1.900 110.728 108.800 0.046 0.000 2.347 314 G HA2 -0.390 3.560 3.960 -0.018 0.000 0.247 314 G HA3 -0.390 3.560 3.960 -0.018 0.000 0.247 314 G C 1.034 175.941 174.900 0.011 0.000 1.037 314 G CA 0.619 45.731 45.100 0.020 0.000 0.622 314 G HN 0.889 nan 8.290 nan 0.000 0.521 315 C N -0.581 118.729 119.300 0.016 0.000 2.519 315 C HA 0.351 4.801 4.460 -0.018 0.000 0.297 315 C C 2.335 177.322 174.990 -0.004 0.000 1.414 315 C CA 1.802 60.820 59.018 -0.001 0.000 1.893 315 C CB -0.438 27.297 27.740 -0.009 0.000 2.134 315 C HN 0.530 nan 8.230 nan 0.000 0.580 316 D N -0.271 120.136 120.400 0.012 0.000 2.162 316 D HA 0.075 4.704 4.640 -0.018 0.000 0.205 316 D C 0.351 176.689 176.300 0.064 0.000 0.964 316 D CA 1.083 55.097 54.000 0.023 0.000 0.847 316 D CB 0.021 40.843 40.800 0.037 0.000 0.988 316 D HN 0.419 nan 8.370 nan 0.000 0.480 317 c N 1.879 120.507 118.600 0.048 0.000 2.344 317 c HA 0.509 5.069 4.570 -0.018 0.000 0.326 317 c C -0.246 173.782 174.090 -0.104 0.000 1.201 317 c CA -1.157 55.142 56.329 -0.051 0.000 1.410 317 c CB 0.637 43.100 42.510 -0.077 0.000 2.070 317 c HN 0.163 nan 8.230 nan 0.000 0.445 318 L N 4.135 125.273 121.223 -0.142 0.000 2.325 318 L HA 0.947 5.276 4.340 -0.018 0.000 0.279 318 L C 0.538 177.323 176.870 -0.143 0.000 1.054 318 L CA 1.803 56.585 54.840 -0.097 0.000 0.804 318 L CB 0.872 42.908 42.059 -0.037 0.000 1.200 318 L HN 1.111 nan 8.230 nan 0.000 0.436 319 G N 3.341 112.101 108.800 -0.067 0.000 2.428 319 G HA2 -0.156 3.794 3.960 -0.018 0.000 0.202 319 G HA3 -0.156 3.794 3.960 -0.018 0.000 0.202 319 G C -1.042 173.845 174.900 -0.023 0.000 1.247 319 G CA -0.207 44.876 45.100 -0.029 0.000 1.020 319 G HN 0.760 nan 8.290 nan 0.000 0.529 320 D N 0.857 121.270 120.400 0.022 0.000 2.422 320 D HA 0.467 5.096 4.640 -0.018 0.000 0.227 320 D C -0.236 176.089 176.300 0.041 0.000 1.190 320 D CA -0.084 53.933 54.000 0.029 0.000 0.905 320 D CB 0.248 41.072 40.800 0.040 0.000 1.034 320 D HN 0.307 nan 8.370 nan 0.000 0.507 321 I N 2.190 122.732 120.570 -0.047 0.000 2.392 321 I HA 0.178 4.338 4.170 -0.018 0.000 0.295 321 I C 0.659 176.680 176.117 -0.161 0.000 0.985 321 I CA -0.360 60.849 61.300 -0.152 0.000 1.221 321 I CB 2.012 39.747 38.000 -0.442 0.000 1.366 321 I HN 0.077 nan 8.210 nan 0.000 0.467 322 T N 5.884 120.404 114.554 -0.057 0.000 2.770 322 T HA 0.500 4.839 4.350 -0.018 0.000 0.283 322 T C -0.758 173.890 174.700 -0.087 0.000 0.988 322 T CA -0.288 61.836 62.100 0.040 0.000 0.957 322 T CB 0.221 69.272 68.868 0.304 0.000 0.930 322 T HN 0.115 nan 8.240 nan 0.000 0.443 323 Y N 2.051 122.403 120.300 0.086 0.000 2.419 323 Y HA 0.638 5.178 4.550 -0.017 0.000 0.328 323 Y C 0.213 176.128 175.900 0.026 0.000 1.162 323 Y CA -1.214 56.914 58.100 0.047 0.000 1.174 323 Y CB 1.052 39.529 38.460 0.028 0.000 1.228 323 Y HN 0.370 nan 8.280 nan 0.000 0.473 324 L N 1.527 122.862 121.223 0.187 0.000 2.365 324 L HA 0.525 4.854 4.340 -0.018 0.000 0.273 324 L C -0.594 176.279 176.870 0.006 0.000 1.000 324 L CA -0.647 54.234 54.840 0.067 0.000 0.819 324 L CB 1.985 44.053 42.059 0.016 0.000 1.284 324 L HN 0.537 nan 8.230 nan 0.000 0.418 325 S N 3.293 118.971 115.700 -0.037 0.000 2.406 325 S HA 0.326 4.785 4.470 -0.018 0.000 0.224 325 S C -2.335 172.182 174.600 -0.138 0.000 1.426 325 S CA -1.033 57.110 58.200 -0.095 0.000 1.179 325 S CB 0.713 63.877 63.200 -0.060 0.000 1.042 325 S HN 0.391 nan 8.310 nan 0.000 0.479 326 P HA 0.193 nan 4.420 nan 0.000 0.269 326 P C -0.730 176.474 177.300 -0.160 0.000 1.215 326 P CA -0.251 62.685 63.100 -0.273 0.000 0.780 326 P CB 0.724 31.995 31.700 -0.714 0.000 0.898 327 V N 3.840 123.728 119.914 -0.043 0.000 2.513 327 V HA 0.426 4.536 4.120 -0.018 0.000 0.299 327 V C 0.624 176.748 176.094 0.049 0.000 1.035 327 V CA -0.623 61.676 62.300 -0.002 0.000 0.889 327 V CB 1.457 33.288 31.823 0.013 0.000 0.988 327 V HN 0.496 nan 8.190 nan 0.000 0.440 328 I N 1.240 121.833 120.570 0.038 0.000 3.206 328 I HA 0.706 4.866 4.170 -0.018 0.000 0.313 328 I C -0.215 175.907 176.117 0.007 0.000 1.103 328 I CA -0.848 60.476 61.300 0.040 0.000 0.985 328 I CB 1.919 39.952 38.000 0.054 0.000 1.240 328 I HN 0.581 nan 8.210 nan 0.000 0.464 329 S N 1.310 116.997 115.700 -0.021 0.000 2.585 329 S HA 0.451 4.911 4.470 -0.018 0.000 0.277 329 S C -0.409 174.178 174.600 -0.023 0.000 1.241 329 S CA -0.430 57.754 58.200 -0.026 0.000 1.041 329 S CB 0.682 63.850 63.200 -0.053 0.000 0.987 329 S HN 0.804 nan 8.310 nan 0.000 0.512 330 D N 2.431 122.832 120.400 0.002 0.000 2.511 330 D HA 0.434 5.063 4.640 -0.018 0.000 0.276 330 D C 1.183 177.440 176.300 -0.072 0.000 1.220 330 D CA -0.185 53.814 54.000 -0.001 0.000 1.077 330 D CB 0.055 40.899 40.800 0.074 0.000 1.126 330 D HN 0.477 nan 8.370 nan 0.000 0.583 331 A N -1.162 121.537 122.820 -0.203 0.000 2.125 331 A HA -0.020 4.289 4.320 -0.018 0.000 0.219 331 A C 1.412 178.672 177.584 -0.540 0.000 1.156 331 A CA 0.774 52.559 52.037 -0.421 0.000 0.671 331 A CB -0.915 17.711 19.000 -0.624 0.000 0.794 331 A HN 0.455 nan 8.150 nan 0.000 0.459 332 F N -1.702 118.262 119.950 0.024 0.000 2.678 332 F HA 0.409 4.926 4.527 -0.017 0.000 0.305 332 F C 1.729 177.530 175.800 0.001 0.000 1.090 332 F CA 0.274 58.284 58.000 0.015 0.000 1.272 332 F CB 0.269 39.277 39.000 0.013 0.000 1.060 332 F HN 0.291 nan 8.300 nan 0.000 0.576 333 G N 0.582 109.441 108.800 0.099 0.000 2.175 333 G HA2 -0.279 3.671 3.960 -0.018 0.000 0.244 333 G HA3 -0.279 3.671 3.960 -0.018 0.000 0.244 333 G C -0.055 174.869 174.900 0.039 0.000 0.982 333 G CA -0.336 44.791 45.100 0.045 0.000 0.641 333 G HN 0.429 nan 8.290 nan 0.000 0.527 334 N N 2.466 121.216 118.700 0.083 0.000 2.529 334 N HA 0.503 5.233 4.740 -0.018 0.000 0.278 334 N C -2.336 173.193 175.510 0.032 0.000 1.146 334 N CA -1.137 51.947 53.050 0.056 0.000 0.980 334 N CB 1.509 40.048 38.487 0.086 0.000 1.124 334 N HN 0.147 nan 8.380 nan 0.000 0.458 335 P HA 0.114 nan 4.420 nan 0.000 0.275 335 P C -1.094 176.214 177.300 0.015 0.000 1.227 335 P CA -0.040 63.063 63.100 0.005 0.000 0.781 335 P CB 1.071 32.767 31.700 -0.006 0.000 0.906 336 R N 1.766 122.274 120.500 0.013 0.000 2.575 336 R HA 0.260 4.589 4.340 -0.018 0.000 0.293 336 R C -0.520 175.780 176.300 0.000 0.000 0.983 336 R CA -0.612 55.496 56.100 0.014 0.000 0.887 336 R CB 1.729 32.043 30.300 0.023 0.000 1.184 336 R HN 0.521 nan 8.270 nan 0.000 0.445 337 E N 4.961 125.156 120.200 -0.008 0.000 2.266 337 E HA 0.210 4.549 4.350 -0.018 0.000 0.277 337 E C -0.715 175.861 176.600 -0.040 0.000 1.018 337 E CA -0.507 55.876 56.400 -0.029 0.000 0.840 337 E CB 1.008 30.692 29.700 -0.028 0.000 1.082 337 E HN 0.528 nan 8.360 nan 0.000 0.395 338 I N 4.867 125.389 120.570 -0.081 0.000 2.313 338 I HA 0.188 4.347 4.170 -0.018 0.000 0.286 338 I C 0.052 176.109 176.117 -0.101 0.000 1.091 338 I CA -0.737 60.511 61.300 -0.086 0.000 1.216 338 I CB 0.440 38.352 38.000 -0.147 0.000 1.434 338 I HN 0.353 nan 8.210 nan 0.000 0.487 339 R N 6.549 127.005 120.500 -0.073 0.000 2.502 339 R HA -0.004 4.325 4.340 -0.018 0.000 0.292 339 R C 0.428 176.650 176.300 -0.129 0.000 0.998 339 R CA 0.430 56.474 56.100 -0.093 0.000 1.056 339 R CB -0.235 30.015 30.300 -0.083 0.000 0.939 339 R HN 0.591 nan 8.270 nan 0.000 0.411 340 N N 2.449 121.051 118.700 -0.162 0.000 2.725 340 N HA -0.176 4.554 4.740 -0.018 0.000 0.251 340 N C 0.499 175.994 175.510 -0.026 0.000 1.031 340 N CA 1.266 54.179 53.050 -0.229 0.000 0.720 340 N CB -1.291 36.775 38.487 -0.702 0.000 0.930 340 N HN 0.847 nan 8.380 nan 0.000 0.543 341 G N -0.940 107.843 108.800 -0.029 0.000 2.623 341 G HA2 0.220 4.169 3.960 -0.018 0.000 0.214 341 G HA3 0.220 4.169 3.960 -0.018 0.000 0.214 341 G C 0.559 175.508 174.900 0.082 0.000 1.138 341 G CA 0.227 45.321 45.100 -0.009 0.000 0.794 341 G HN 0.453 nan 8.290 nan 0.000 0.535 342 I N 0.455 121.083 120.570 0.096 0.000 2.466 342 I HA 0.309 4.469 4.170 -0.018 0.000 0.289 342 I C -0.756 175.468 176.117 0.179 0.000 1.026 342 I CA -0.911 60.469 61.300 0.133 0.000 1.078 342 I CB 2.362 40.380 38.000 0.029 0.000 1.249 342 I HN -0.185 nan 8.210 nan 0.000 0.429 343 c N 7.000 125.676 118.600 0.126 0.000 2.341 343 c HA 0.686 5.245 4.570 -0.018 0.000 0.338 343 c C 0.074 174.152 174.090 -0.020 0.000 1.257 343 c CA -0.487 55.836 56.329 -0.009 0.000 1.883 343 c CB 0.667 43.191 42.510 0.024 0.000 2.334 343 c HN 0.666 nan 8.230 nan 0.000 0.524 344 M N 5.614 125.167 119.600 -0.077 0.000 2.267 344 M HA 0.493 4.963 4.480 -0.018 0.000 0.289 344 M C -0.682 175.590 176.300 -0.047 0.000 1.043 344 M CA -0.152 55.045 55.300 -0.171 0.000 0.928 344 M CB 1.896 34.319 32.600 -0.295 0.000 1.613 344 M HN 0.968 nan 8.290 nan 0.000 0.450 345 H N 1.008 119.895 119.070 -0.305 0.000 2.950 345 H HA 0.474 5.020 4.556 -0.017 0.000 0.307 345 H C -2.124 173.101 175.328 -0.172 0.000 1.403 345 H CA -0.995 55.024 56.048 -0.049 0.000 1.145 345 H CB 1.181 30.950 29.762 0.011 0.000 1.844 345 H HN 0.750 nan 8.280 nan 0.000 0.515 346 E N 1.074 121.261 120.200 -0.023 0.000 2.221 346 E HA 0.539 4.878 4.350 -0.018 0.000 0.268 346 E C -1.012 175.602 176.600 0.024 0.000 0.933 346 E CA -0.908 55.384 56.400 -0.179 0.000 0.809 346 E CB 2.792 32.542 29.700 0.083 0.000 1.190 346 E HN 0.720 nan 8.360 nan 0.000 0.406 347 E N 1.715 121.910 120.200 -0.008 0.000 2.367 347 E HA 0.262 4.602 4.350 -0.018 0.000 0.273 347 E C -1.399 175.325 176.600 0.207 0.000 0.903 347 E CA -1.043 55.441 56.400 0.139 0.000 0.764 347 E CB 1.543 31.340 29.700 0.162 0.000 1.252 347 E HN 0.532 nan 8.360 nan 0.000 0.446 348 D N 1.209 121.739 120.400 0.217 0.000 2.443 348 D HA -0.062 4.568 4.640 -0.018 0.000 0.239 348 D C -0.940 175.560 176.300 0.332 0.000 1.136 348 D CA 0.098 54.232 54.000 0.224 0.000 0.879 348 D CB 0.550 41.428 40.800 0.131 0.000 1.195 348 D HN 0.519 nan 8.370 nan 0.000 0.443 349 W N 5.830 127.172 121.300 0.069 0.000 1.340 349 W HA 0.373 5.022 4.660 -0.018 0.000 0.301 349 W C 0.276 176.829 176.519 0.056 0.000 0.834 349 W CA 0.082 57.467 57.345 0.066 0.000 2.473 349 W CB 0.090 29.632 29.460 0.137 0.000 1.837 349 W HN 0.844 nan 8.180 nan 0.000 0.528 350 G N 1.970 110.693 108.800 -0.127 0.000 2.575 350 G HA2 -0.334 3.616 3.960 -0.018 0.000 0.267 350 G HA3 -0.334 3.616 3.960 -0.018 0.000 0.267 350 G C -0.326 174.555 174.900 -0.031 0.000 1.264 350 G CA -0.102 44.911 45.100 -0.145 0.000 0.935 350 G HN 0.093 nan 8.290 nan 0.000 0.568 351 I N 1.262 121.806 120.570 -0.043 0.000 2.496 351 I HA 0.204 4.364 4.170 -0.018 0.000 0.285 351 I C 1.587 177.734 176.117 0.050 0.000 1.080 351 I CA -0.040 61.263 61.300 0.003 0.000 1.404 351 I CB 0.846 38.840 38.000 -0.009 0.000 1.403 351 I HN 0.635 nan 8.210 nan 0.000 0.539 352 L N 6.528 127.797 121.223 0.076 0.000 2.200 352 L HA 0.474 4.804 4.340 -0.018 0.000 0.200 352 L C 0.616 177.547 176.870 0.101 0.000 1.072 352 L CA 1.035 55.941 54.840 0.110 0.000 0.787 352 L CB 0.116 42.249 42.059 0.122 0.000 0.957 352 L HN 0.702 nan 8.230 nan 0.000 0.459 353 A N -0.412 122.476 122.820 0.114 0.000 2.566 353 A HA 0.658 4.968 4.320 -0.018 0.000 0.297 353 A C -1.137 176.567 177.584 0.202 0.000 1.059 353 A CA -0.588 51.546 52.037 0.162 0.000 0.691 353 A CB 1.126 20.266 19.000 0.234 0.000 1.282 353 A HN 0.068 nan 8.150 nan 0.000 0.401 354 K N 1.041 121.563 120.400 0.202 0.000 2.557 354 K HA 0.581 4.890 4.320 -0.018 0.000 0.257 354 K C -2.191 174.554 176.600 0.242 0.000 0.933 354 K CA -0.509 55.908 56.287 0.216 0.000 0.820 354 K CB 1.755 34.316 32.500 0.101 0.000 1.330 354 K HN 1.102 nan 8.250 nan 0.000 0.432 355 H N 0.312 119.459 119.070 0.128 0.000 3.129 355 H HA 0.368 4.913 4.556 -0.018 0.000 0.342 355 H C -1.940 173.415 175.328 0.044 0.000 1.092 355 H CA -0.355 55.719 56.048 0.045 0.000 1.310 355 H CB 1.913 31.670 29.762 -0.008 0.000 1.932 355 H HN 0.425 nan 8.280 nan 0.000 0.507 356 S N 4.110 119.427 115.700 -0.638 0.000 2.520 356 S HA 0.170 4.629 4.470 -0.018 0.000 0.324 356 S C -0.772 173.375 174.600 -0.754 0.000 1.069 356 S CA -0.663 57.251 58.200 -0.476 0.000 1.121 356 S CB 0.452 63.508 63.200 -0.241 0.000 0.971 356 S HN 0.647 nan 8.310 nan 0.000 0.463 357 D N 2.531 122.596 120.400 -0.559 0.000 2.280 357 D HA 0.247 4.876 4.640 -0.018 0.000 0.243 357 D C 1.042 177.250 176.300 -0.155 0.000 1.129 357 D CA -0.407 53.412 54.000 -0.301 0.000 0.848 357 D CB 0.736 41.545 40.800 0.016 0.000 1.107 357 D HN 0.352 nan 8.370 nan 0.000 0.471 358 L N 4.633 125.730 121.223 -0.211 0.000 1.976 358 L HA -0.103 4.227 4.340 -0.018 0.000 0.209 358 L C 1.380 178.267 176.870 0.028 0.000 1.071 358 L CA 1.058 55.809 54.840 -0.148 0.000 0.746 358 L CB -0.110 41.784 42.059 -0.274 0.000 0.890 358 L HN 0.612 nan 8.230 nan 0.000 0.432 359 W N 0.182 121.492 121.300 0.015 0.000 2.338 359 W HA -0.185 4.471 4.660 -0.006 0.000 0.304 359 W C 3.046 179.572 176.519 0.012 0.000 1.212 359 W CA 1.419 58.773 57.345 0.015 0.000 1.264 359 W CB -1.548 27.924 29.460 0.021 0.000 1.142 359 W HN 0.448 nan 8.180 nan 0.000 0.512 360 S N -1.011 114.831 115.700 0.237 0.000 2.478 360 S HA 0.276 4.735 4.470 -0.018 0.000 0.222 360 S C 1.790 176.441 174.600 0.086 0.000 1.008 360 S CA 0.935 59.220 58.200 0.141 0.000 0.928 360 S CB -0.106 63.168 63.200 0.123 0.000 0.781 360 S HN 0.456 nan 8.310 nan 0.000 0.518 361 G N 1.158 109.995 108.800 0.062 0.000 2.162 361 G HA2 -0.197 3.753 3.960 -0.018 0.000 0.260 361 G HA3 -0.197 3.753 3.960 -0.018 0.000 0.260 361 G C -0.031 174.879 174.900 0.016 0.000 0.976 361 G CA 0.271 45.388 45.100 0.029 0.000 0.655 361 G HN 0.511 nan 8.290 nan 0.000 0.533 362 I N 1.327 121.911 120.570 0.023 0.000 2.342 362 I HA 0.324 4.484 4.170 -0.018 0.000 0.291 362 I C -0.278 175.846 176.117 0.012 0.000 1.010 362 I CA -1.072 60.249 61.300 0.035 0.000 1.308 362 I CB 0.961 38.999 38.000 0.064 0.000 1.400 362 I HN -0.007 nan 8.210 nan 0.000 0.488 363 N N 6.641 125.358 118.700 0.028 0.000 2.424 363 N HA 0.293 5.022 4.740 -0.018 0.000 0.271 363 N C -1.123 174.456 175.510 0.114 0.000 0.985 363 N CA -0.361 52.701 53.050 0.020 0.000 0.921 363 N CB 2.074 40.554 38.487 -0.013 0.000 1.149 363 N HN 0.480 nan 8.380 nan 0.000 0.492 364 Y N 0.996 121.283 120.300 -0.023 0.000 2.391 364 Y HA 0.494 5.035 4.550 -0.015 0.000 0.341 364 Y C -1.025 174.882 175.900 0.011 0.000 0.965 364 Y CA -0.331 57.774 58.100 0.008 0.000 1.067 364 Y CB 1.637 40.119 38.460 0.036 0.000 1.199 364 Y HN 0.347 nan 8.280 nan 0.000 0.450 365 T N 6.842 121.236 114.554 -0.267 0.000 3.032 365 T HA 0.593 4.933 4.350 -0.018 0.000 0.312 365 T C -1.312 173.184 174.700 -0.340 0.000 1.078 365 T CA -1.006 60.983 62.100 -0.185 0.000 1.028 365 T CB 1.271 70.088 68.868 -0.084 0.000 1.091 365 T HN 0.425 nan 8.240 nan 0.000 0.457 366 R N 1.728 122.105 120.500 -0.205 0.000 2.725 366 R HA 0.556 4.886 4.340 -0.018 0.000 0.277 366 R C -0.501 175.781 176.300 -0.030 0.000 0.987 366 R CA -0.854 55.153 56.100 -0.154 0.000 0.901 366 R CB 2.396 32.612 30.300 -0.140 0.000 1.207 366 R HN 0.555 nan 8.270 nan 0.000 0.463 367 R N 0.970 121.467 120.500 -0.005 0.000 2.573 367 R HA 0.361 4.691 4.340 -0.018 0.000 0.272 367 R C 0.114 176.476 176.300 0.104 0.000 1.009 367 R CA -0.835 55.291 56.100 0.044 0.000 1.059 367 R CB 1.012 31.335 30.300 0.039 0.000 1.112 367 R HN 0.391 nan 8.270 nan 0.000 0.517 368 N N 0.840 119.636 118.700 0.161 0.000 2.483 368 N HA 0.414 5.143 4.740 -0.018 0.000 0.285 368 N C -1.234 174.477 175.510 0.335 0.000 1.210 368 N CA -0.656 52.554 53.050 0.267 0.000 0.931 368 N CB 1.198 39.890 38.487 0.341 0.000 1.220 368 N HN 0.600 nan 8.380 nan 0.000 0.542 369 R N -0.914 119.836 120.500 0.416 0.000 2.690 369 R HA 0.569 4.899 4.340 -0.018 0.000 0.269 369 R C -1.223 175.321 176.300 0.407 0.000 1.037 369 R CA -1.043 55.309 56.100 0.421 0.000 0.877 369 R CB 1.336 31.881 30.300 0.409 0.000 1.255 369 R HN 0.671 nan 8.270 nan 0.000 0.467 370 R N 1.229 121.775 120.500 0.075 0.000 2.725 370 R HA 0.562 4.891 4.340 -0.018 0.000 0.277 370 R C -1.256 174.572 176.300 -0.787 0.000 0.987 370 R CA -1.137 54.711 56.100 -0.420 0.000 0.901 370 R CB 1.854 31.519 30.300 -1.059 0.000 1.207 370 R HN 0.571 nan 8.270 nan 0.000 0.463 371 M N 2.524 121.333 119.600 -1.319 0.000 2.233 371 M HA 0.329 4.799 4.480 -0.018 0.000 0.355 371 M C -1.510 174.294 176.300 -0.826 0.000 1.191 371 M CA -0.530 53.927 55.300 -1.406 0.000 1.101 371 M CB 1.653 33.225 32.600 -1.713 0.000 1.592 371 M HN 0.516 nan 8.290 nan 0.000 0.461 372 V N 6.609 126.085 119.914 -0.730 0.000 2.540 372 V HA 0.596 4.705 4.120 -0.018 0.000 0.302 372 V C -0.692 175.182 176.094 -0.367 0.000 1.035 372 V CA -0.735 61.300 62.300 -0.442 0.000 0.873 372 V CB 1.759 33.306 31.823 -0.459 0.000 0.992 372 V HN 0.656 nan 8.190 nan 0.000 0.428 373 I N 4.485 124.922 120.570 -0.221 0.000 2.447 373 I HA 0.688 4.847 4.170 -0.018 0.000 0.287 373 I C 0.027 176.132 176.117 -0.020 0.000 1.023 373 I CA -0.031 61.196 61.300 -0.121 0.000 1.083 373 I CB 1.636 39.569 38.000 -0.111 0.000 1.245 373 I HN 0.843 nan 8.210 nan 0.000 0.434 374 S N 5.996 121.686 115.700 -0.016 0.000 2.625 374 S HA 0.912 5.372 4.470 -0.018 0.000 0.271 374 S C -0.993 173.685 174.600 0.130 0.000 1.161 374 S CA -0.685 57.451 58.200 -0.108 0.000 0.820 374 S CB 2.957 65.738 63.200 -0.699 0.000 1.137 374 S HN 0.493 nan 8.310 nan 0.000 0.470 375 F N -1.248 118.647 119.950 -0.092 0.000 2.686 375 F HA 0.901 5.418 4.527 -0.018 0.000 0.311 375 F C -2.236 173.652 175.800 0.146 0.000 1.128 375 F CA -1.610 56.442 58.000 0.088 0.000 0.946 375 F CB 0.904 40.006 39.000 0.169 0.000 1.336 375 F HN 0.631 nan 8.300 nan 0.000 0.457 376 F N 0.789 120.794 119.950 0.090 0.000 2.556 376 F HA 0.683 5.199 4.527 -0.018 0.000 0.314 376 F C -0.234 175.699 175.800 0.222 0.000 1.106 376 F CA -0.387 57.635 58.000 0.037 0.000 0.911 376 F CB 2.351 41.392 39.000 0.069 0.000 1.190 376 F HN 0.883 nan 8.300 nan 0.000 0.448 377 T N 1.977 116.784 114.554 0.420 0.000 2.916 377 T HA 0.683 5.022 4.350 -0.018 0.000 0.292 377 T C -1.202 173.733 174.700 0.392 0.000 1.055 377 T CA -0.312 62.071 62.100 0.473 0.000 1.009 377 T CB 1.443 70.630 68.868 0.532 0.000 1.118 377 T HN 0.561 nan 8.240 nan 0.000 0.497 378 T N 3.455 118.194 114.554 0.309 0.000 2.840 378 T HA 0.607 4.946 4.350 -0.018 0.000 0.287 378 T C -0.975 173.734 174.700 0.015 0.000 0.991 378 T CA -0.351 61.831 62.100 0.136 0.000 0.964 378 T CB 0.555 69.482 68.868 0.098 0.000 0.954 378 T HN 0.397 nan 8.240 nan 0.000 0.438 379 I N 3.525 124.035 120.570 -0.101 0.000 2.464 379 I HA 0.522 4.682 4.170 -0.018 0.000 0.277 379 I C 1.080 176.988 176.117 -0.348 0.000 1.040 379 I CA 0.194 61.314 61.300 -0.301 0.000 1.153 379 I CB 0.697 38.518 38.000 -0.298 0.000 1.274 379 I HN 0.922 nan 8.210 nan 0.000 0.469 380 G N 5.772 114.395 108.800 -0.296 0.000 2.620 380 G HA2 -0.323 3.626 3.960 -0.018 0.000 0.315 380 G HA3 -0.323 3.626 3.960 -0.018 0.000 0.315 380 G C 0.404 175.191 174.900 -0.189 0.000 1.179 380 G CA 0.472 45.484 45.100 -0.146 0.000 0.971 380 G HN 0.736 nan 8.290 nan 0.000 0.544 384 Y N 0.321 120.645 120.300 0.040 0.000 2.409 384 Y HA 0.711 5.251 4.550 -0.018 0.000 0.343 384 Y C 0.868 176.172 175.900 -0.993 0.000 0.973 384 Y CA -1.138 56.762 58.100 -0.333 0.000 1.064 384 Y CB 2.474 40.827 38.460 -0.179 0.000 1.207 384 Y HN 0.448 nan 8.280 nan 0.000 0.452 385 G N 2.257 110.278 108.800 -1.299 0.000 2.379 385 G HA2 0.595 4.544 3.960 -0.018 0.000 0.327 385 G HA3 0.595 4.544 3.960 -0.018 0.000 0.327 385 G C -1.673 172.782 174.900 -0.742 0.000 1.145 385 G CA -0.423 43.803 45.100 -1.457 0.000 0.905 385 G HN 0.360 nan 8.290 nan 0.000 0.466 386 F N 1.420 120.865 119.950 -0.842 0.000 2.402 386 F HA 0.475 4.991 4.527 -0.018 0.000 0.355 386 F C -0.748 174.677 175.800 -0.625 0.000 1.123 386 F CA -0.899 56.783 58.000 -0.529 0.000 1.021 386 F CB 1.782 40.597 39.000 -0.309 0.000 1.160 386 F HN 0.298 nan 8.300 nan 0.000 0.451 387 Y N 1.404 121.259 120.300 -0.742 0.000 2.350 387 Y HA 0.444 4.983 4.550 -0.018 0.000 0.338 387 Y C -1.064 174.106 175.900 -1.217 0.000 0.961 387 Y CA -1.558 56.057 58.100 -0.808 0.000 1.100 387 Y CB 1.373 39.315 38.460 -0.862 0.000 1.179 387 Y HN 0.520 nan 8.280 nan 0.000 0.454 388 W N 3.450 124.399 121.300 -0.585 0.000 2.529 388 W HA 0.616 5.265 4.660 -0.018 0.000 0.321 388 W C -1.409 174.676 176.519 -0.725 0.000 1.047 388 W CA -0.732 56.293 57.345 -0.533 0.000 1.216 388 W CB 1.154 30.475 29.460 -0.232 0.000 1.357 388 W HN 0.326 nan 8.180 nan 0.000 0.489 389 Y N 2.813 123.006 120.300 -0.178 0.000 2.462 389 Y HA 0.677 5.216 4.550 -0.018 0.000 0.346 389 Y C -0.304 175.279 175.900 -0.529 0.000 0.976 389 Y CA -1.686 56.120 58.100 -0.490 0.000 1.044 389 Y CB 1.223 39.271 38.460 -0.687 0.000 1.230 389 Y HN 0.063 nan 8.280 nan 0.000 0.455 390 L N 3.756 124.626 121.223 -0.588 0.000 2.381 390 L HA 0.527 4.857 4.340 -0.018 0.000 0.274 390 L C -1.265 175.385 176.870 -0.365 0.000 0.988 390 L CA -0.845 53.596 54.840 -0.664 0.000 0.824 390 L CB 1.404 42.771 42.059 -1.152 0.000 1.263 390 L HN 0.599 nan 8.230 nan 0.000 0.410 391 Y N 1.822 122.252 120.300 0.218 0.000 2.453 391 Y HA 0.328 4.867 4.550 -0.017 0.000 0.326 391 Y C 1.176 177.515 175.900 0.731 0.000 1.186 391 Y CA -0.727 57.617 58.100 0.407 0.000 1.200 391 Y CB 1.444 40.038 38.460 0.223 0.000 1.247 391 Y HN 0.440 nan 8.280 nan 0.000 0.482 392 L N 0.639 122.280 121.223 0.697 0.000 2.079 392 L HA -0.201 4.128 4.340 -0.018 0.000 0.210 392 L C 1.709 178.826 176.870 0.413 0.000 1.081 392 L CA 1.676 56.792 54.840 0.461 0.000 0.752 392 L CB -0.328 41.884 42.059 0.255 0.000 0.896 392 L HN 0.762 nan 8.230 nan 0.000 0.433 393 D N -0.351 120.267 120.400 0.364 0.000 2.363 393 D HA -0.025 4.605 4.640 -0.018 0.000 0.226 393 D C 1.423 177.821 176.300 0.164 0.000 1.020 393 D CA 0.915 55.021 54.000 0.177 0.000 0.892 393 D CB 0.243 41.117 40.800 0.122 0.000 0.900 393 D HN 0.355 nan 8.370 nan 0.000 0.531 394 G N -0.643 108.430 108.800 0.454 0.000 2.176 394 G HA2 -0.239 3.711 3.960 -0.018 0.000 0.232 394 G HA3 -0.239 3.711 3.960 -0.018 0.000 0.232 394 G C 0.404 175.788 174.900 0.808 0.000 0.986 394 G CA 0.184 45.592 45.100 0.514 0.000 0.643 394 G HN 0.457 nan 8.290 nan 0.000 0.522 395 T N 1.316 116.251 114.554 0.635 0.000 2.919 395 T HA 0.566 4.906 4.350 -0.018 0.000 0.302 395 T C 0.488 175.546 174.700 0.596 0.000 1.031 395 T CA 0.477 62.886 62.100 0.515 0.000 1.127 395 T CB 1.277 70.261 68.868 0.193 0.000 0.952 395 T HN 0.343 nan 8.240 nan 0.000 0.540 396 I N 2.427 123.268 120.570 0.453 0.000 2.465 396 I HA 0.504 4.664 4.170 -0.018 0.000 0.291 396 I C 0.060 176.318 176.117 0.235 0.000 1.014 396 I CA -0.640 60.821 61.300 0.269 0.000 1.093 396 I CB 1.974 40.107 38.000 0.221 0.000 1.267 396 I HN 0.612 nan 8.210 nan 0.000 0.431 397 E N 5.512 125.805 120.200 0.155 0.000 2.383 397 E HA 0.506 4.846 4.350 -0.018 0.000 0.275 397 E C -2.047 174.354 176.600 -0.333 0.000 0.918 397 E CA -0.637 55.744 56.400 -0.032 0.000 0.764 397 E CB 2.805 32.626 29.700 0.201 0.000 1.252 397 E HN 0.412 nan 8.360 nan 0.000 0.449 398 F N 2.160 121.516 119.950 -0.990 0.000 2.551 398 F HA 0.532 5.048 4.527 -0.018 0.000 0.316 398 F C -1.264 173.973 175.800 -0.939 0.000 1.089 398 F CA -0.498 56.708 58.000 -1.323 0.000 0.915 398 F CB 1.854 39.712 39.000 -1.904 0.000 1.186 398 F HN 0.515 nan 8.300 nan 0.000 0.456 399 E N 4.207 123.232 120.200 -1.958 0.000 2.278 399 E HA 0.685 5.025 4.350 -0.018 0.000 0.272 399 E C -1.959 173.756 176.600 -1.475 0.000 0.890 399 E CA -0.956 54.689 56.400 -1.258 0.000 0.770 399 E CB 1.796 31.170 29.700 -0.544 0.000 1.212 399 E HN 0.887 nan 8.360 nan 0.000 0.415 400 A N 4.442 126.646 122.820 -1.027 0.000 2.317 400 A HA 0.579 4.888 4.320 -0.018 0.000 0.327 400 A C -0.804 176.484 177.584 -0.492 0.000 1.178 400 A CA -0.698 50.825 52.037 -0.857 0.000 0.817 400 A CB 0.867 19.232 19.000 -1.059 0.000 1.189 400 A HN 0.548 nan 8.150 nan 0.000 0.489 401 K N 1.511 121.673 120.400 -0.397 0.000 2.358 401 K HA 0.587 4.897 4.320 -0.018 0.000 0.260 401 K C -0.705 175.810 176.600 -0.143 0.000 0.956 401 K CA -0.336 55.815 56.287 -0.227 0.000 0.834 401 K CB 2.197 34.604 32.500 -0.155 0.000 1.102 401 K HN 0.735 nan 8.250 nan 0.000 0.431 402 A N 2.436 125.203 122.820 -0.089 0.000 2.288 402 A HA 0.597 4.906 4.320 -0.018 0.000 0.320 402 A C -0.131 177.378 177.584 -0.125 0.000 1.217 402 A CA -0.279 51.699 52.037 -0.100 0.000 0.840 402 A CB 1.374 20.278 19.000 -0.161 0.000 1.179 402 A HN 0.689 nan 8.150 nan 0.000 0.504 403 T N 0.777 115.237 114.554 -0.157 0.000 2.598 403 T HA 0.798 5.138 4.350 -0.018 0.000 0.289 403 T C 0.353 174.938 174.700 -0.191 0.000 1.056 403 T CA 1.043 63.075 62.100 -0.113 0.000 1.088 403 T CB 0.681 69.533 68.868 -0.026 0.000 1.519 403 T HN 2.669 nan 8.240 nan 0.000 0.488 404 G N -0.147 108.542 108.800 -0.185 0.000 2.451 404 G HA2 0.025 3.974 3.960 -0.018 0.000 0.208 404 G HA3 0.025 3.974 3.960 -0.018 0.000 0.208 404 G C -1.200 173.558 174.900 -0.237 0.000 1.248 404 G CA -0.220 44.737 45.100 -0.238 0.000 0.989 404 G HN 1.348 nan 8.290 nan 0.000 0.559 405 V N 1.321 121.059 119.914 -0.293 0.000 2.459 405 V HA 0.606 4.716 4.120 -0.018 0.000 0.295 405 V C 1.149 177.131 176.094 -0.187 0.000 1.029 405 V CA -0.113 62.039 62.300 -0.246 0.000 0.874 405 V CB 1.112 32.715 31.823 -0.367 0.000 0.985 405 V HN 1.670 nan 8.190 nan 0.000 0.438 406 V N 2.293 122.253 119.914 0.076 0.000 2.843 406 V HA 0.334 4.444 4.120 -0.018 0.000 0.305 406 V C -0.121 176.039 176.094 0.109 0.000 1.065 406 V CA -0.271 62.120 62.300 0.152 0.000 1.116 406 V CB 0.192 32.171 31.823 0.261 0.000 0.968 406 V HN 0.613 nan 8.190 nan 0.000 0.487 407 F N 4.642 124.597 119.950 0.009 0.000 2.504 407 F HA 0.505 5.022 4.527 -0.018 0.000 0.369 407 F C 0.993 176.896 175.800 0.171 0.000 1.082 407 F CA 0.488 58.520 58.000 0.053 0.000 1.216 407 F CB 0.767 39.778 39.000 0.019 0.000 1.108 407 F HN 1.010 nan 8.300 nan 0.000 0.554 408 T N 1.717 116.236 114.554 -0.058 0.000 2.937 408 T HA 0.839 5.179 4.350 -0.018 0.000 0.283 408 T C -0.198 174.546 174.700 0.074 0.000 1.012 408 T CA -0.216 61.919 62.100 0.058 0.000 0.997 408 T CB 1.624 70.506 68.868 0.023 0.000 1.136 408 T HN 0.729 nan 8.240 nan 0.000 0.551 409 S N -0.511 115.204 115.700 0.025 0.000 2.757 409 S HA 0.787 5.246 4.470 -0.018 0.000 0.285 409 S C -0.601 173.958 174.600 -0.068 0.000 1.196 409 S CA -0.782 57.390 58.200 -0.048 0.000 0.856 409 S CB 0.760 63.938 63.200 -0.038 0.000 1.212 409 S HN 1.416 nan 8.310 nan 0.000 0.516 410 A N 0.372 123.105 122.820 -0.144 0.000 2.286 410 A HA 0.724 5.034 4.320 -0.018 0.000 0.286 410 A C -0.893 176.724 177.584 0.055 0.000 1.097 410 A CA -0.440 51.571 52.037 -0.043 0.000 0.821 410 A CB -0.032 18.925 19.000 -0.072 0.000 1.076 410 A HN 0.975 nan 8.150 nan 0.000 0.490 411 F N 2.411 122.351 119.950 -0.017 0.000 2.385 411 F HA 0.532 5.048 4.527 -0.018 0.000 0.360 411 F C -2.164 173.671 175.800 0.058 0.000 1.122 411 F CA -2.618 55.378 58.000 -0.007 0.000 1.090 411 F CB 0.968 39.955 39.000 -0.022 0.000 1.150 411 F HN 0.305 nan 8.300 nan 0.000 0.472 412 P HA -0.022 nan 4.420 nan 0.000 0.265 412 P C 0.472 177.580 177.300 -0.320 0.000 1.187 412 P CA 0.322 63.264 63.100 -0.264 0.000 0.766 412 P CB 0.745 32.275 31.700 -0.284 0.000 0.820 413 E N 2.904 123.034 120.200 -0.116 0.000 2.049 413 E HA -0.162 4.177 4.350 -0.018 0.000 0.198 413 E C 1.607 178.158 176.600 -0.082 0.000 1.007 413 E CA 2.166 58.528 56.400 -0.062 0.000 0.809 413 E CB -0.993 28.679 29.700 -0.047 0.000 0.749 413 E HN 0.578 nan 8.360 nan 0.000 0.450 414 G N -0.773 107.961 108.800 -0.110 0.000 3.474 414 G HA2 0.447 4.397 3.960 -0.018 0.000 0.269 414 G HA3 0.447 4.397 3.960 -0.018 0.000 0.269 414 G C 0.465 175.291 174.900 -0.123 0.000 1.339 414 G CA 0.171 45.220 45.100 -0.084 0.000 1.258 414 G HN 0.607 nan 8.290 nan 0.000 0.560 415 G N -0.708 107.947 108.800 -0.242 0.000 2.796 415 G HA2 0.171 4.121 3.960 -0.018 0.000 0.226 415 G HA3 0.171 4.121 3.960 -0.018 0.000 0.226 415 G C -0.188 174.492 174.900 -0.366 0.000 1.381 415 G CA 0.044 44.974 45.100 -0.283 0.000 0.867 415 G HN 1.478 nan 8.290 nan 0.000 0.552 416 S N -1.427 114.152 115.700 -0.201 0.000 2.543 416 S HA 0.574 5.033 4.470 -0.018 0.000 0.274 416 S C -0.251 174.322 174.600 -0.045 0.000 1.149 416 S CA 0.425 58.527 58.200 -0.162 0.000 0.866 416 S CB 1.682 64.723 63.200 -0.266 0.000 1.111 416 S HN 0.619 nan 8.310 nan 0.000 0.457 417 D N 2.421 122.795 120.400 -0.043 0.000 2.339 417 D HA 0.186 4.815 4.640 -0.018 0.000 0.217 417 D C 0.312 176.612 176.300 0.000 0.000 1.050 417 D CA 0.464 54.489 54.000 0.041 0.000 0.856 417 D CB 0.027 40.860 40.800 0.056 0.000 0.922 417 D HN 0.616 nan 8.370 nan 0.000 0.518 418 N N -0.464 118.063 118.700 -0.289 0.000 2.184 418 N HA 0.262 4.991 4.740 -0.018 0.000 0.234 418 N C -0.368 174.421 175.510 -1.202 0.000 1.282 418 N CA -0.013 52.667 53.050 -0.616 0.000 0.877 418 N CB 1.692 40.062 38.487 -0.195 0.000 1.184 418 N HN -0.009 nan 8.380 nan 0.000 0.510 419 I N 0.338 120.309 120.570 -0.998 0.000 2.722 419 I HA 0.356 4.515 4.170 -0.018 0.000 0.295 419 I C -0.704 175.379 176.117 -0.057 0.000 1.161 419 I CA -0.980 60.015 61.300 -0.507 0.000 1.032 419 I CB 2.220 40.158 38.000 -0.103 0.000 1.244 419 I HN -0.039 nan 8.210 nan 0.000 0.421 420 S N 3.635 119.454 115.700 0.198 0.000 2.621 420 S HA 0.536 4.996 4.470 -0.018 0.000 0.302 420 S C -0.762 173.799 174.600 -0.065 0.000 1.093 420 S CA -0.802 57.554 58.200 0.261 0.000 1.017 420 S CB 2.099 65.536 63.200 0.395 0.000 1.077 420 S HN 0.672 nan 8.310 nan 0.000 0.517 421 Q N 0.809 120.310 119.800 -0.498 0.000 2.278 421 Q HA 0.466 4.796 4.340 -0.018 0.000 0.257 421 Q C -0.215 175.564 176.000 -0.369 0.000 0.928 421 Q CA -0.541 54.779 55.803 -0.805 0.000 0.932 421 Q CB 0.803 28.677 28.738 -1.439 0.000 1.221 421 Q HN 0.865 nan 8.270 nan 0.000 0.434 422 L N 2.259 123.285 121.223 -0.328 0.000 2.470 422 L HA 0.531 4.860 4.340 -0.018 0.000 0.219 422 L C 0.378 177.093 176.870 -0.257 0.000 1.071 422 L CA 0.185 54.868 54.840 -0.263 0.000 0.850 422 L CB 0.537 42.339 42.059 -0.429 0.000 1.040 422 L HN 0.658 nan 8.230 nan 0.000 0.475 423 A N -1.231 121.410 122.820 -0.298 0.000 2.540 423 A HA 0.590 4.899 4.320 -0.018 0.000 0.291 423 A C -2.749 174.751 177.584 -0.141 0.000 1.083 423 A CA -0.943 50.990 52.037 -0.174 0.000 0.650 423 A CB 0.178 19.076 19.000 -0.171 0.000 1.292 423 A HN -0.241 nan 8.150 nan 0.000 0.435 424 P HA 0.260 nan 4.420 nan 0.000 0.255 424 P C 1.026 178.331 177.300 0.008 0.000 1.173 424 P CA 2.494 65.586 63.100 -0.014 0.000 0.780 424 P CB 0.163 31.872 31.700 0.015 0.000 0.758 425 G N 2.356 111.188 108.800 0.054 0.000 2.189 425 G HA2 -0.284 3.665 3.960 -0.018 0.000 0.267 425 G HA3 -0.284 3.665 3.960 -0.018 0.000 0.267 425 G C -0.125 174.824 174.900 0.081 0.000 0.975 425 G CA -0.106 45.062 45.100 0.113 0.000 0.644 425 G HN 0.560 nan 8.290 nan 0.000 0.537 426 L N 1.669 122.869 121.223 -0.040 0.000 2.272 426 L HA 0.791 5.120 4.340 -0.018 0.000 0.289 426 L C 0.680 177.467 176.870 -0.139 0.000 1.032 426 L CA 0.146 54.901 54.840 -0.142 0.000 0.810 426 L CB 1.167 43.009 42.059 -0.363 0.000 1.205 426 L HN 0.378 nan 8.230 nan 0.000 0.422 427 G N 3.336 112.120 108.800 -0.027 0.000 2.511 427 G HA2 0.773 4.723 3.960 -0.018 0.000 0.318 427 G HA3 0.773 4.723 3.960 -0.018 0.000 0.318 427 G C -1.642 173.267 174.900 0.014 0.000 1.210 427 G CA -0.361 44.777 45.100 0.064 0.000 0.969 427 G HN 0.928 nan 8.290 nan 0.000 0.484 428 A N 1.367 124.234 122.820 0.079 0.000 2.466 428 A HA 0.753 5.062 4.320 -0.018 0.000 0.291 428 A C -2.809 174.905 177.584 0.216 0.000 1.234 428 A CA -1.341 50.783 52.037 0.145 0.000 0.752 428 A CB 1.562 20.637 19.000 0.125 0.000 1.153 428 A HN 0.395 nan 8.150 nan 0.000 0.458 429 P HA 0.166 nan 4.420 nan 0.000 0.265 429 P C -0.339 177.210 177.300 0.416 0.000 1.193 429 P CA 0.283 63.520 63.100 0.228 0.000 0.765 429 P CB 0.157 32.044 31.700 0.312 0.000 0.823 430 F N 3.636 123.678 119.950 0.153 0.000 2.496 430 F HA 0.220 4.736 4.527 -0.017 0.000 0.344 430 F C 1.655 177.361 175.800 -0.157 0.000 1.155 430 F CA 0.519 58.491 58.000 -0.046 0.000 1.302 430 F CB -0.409 38.573 39.000 -0.030 0.000 1.159 430 F HN 0.509 nan 8.300 nan 0.000 0.595 431 H N -0.640 118.247 119.070 -0.304 0.000 2.887 431 H HA 0.458 5.004 4.556 -0.017 0.000 0.290 431 H C -1.845 173.177 175.328 -0.509 0.000 1.429 431 H CA -1.110 54.572 56.048 -0.610 0.000 1.137 431 H CB 1.252 30.192 29.762 -1.371 0.000 1.824 431 H HN 0.583 nan 8.280 nan 0.000 0.520 432 Q N 0.034 119.541 119.800 -0.489 0.000 2.458 432 Q HA 0.401 4.731 4.340 -0.018 0.000 0.282 432 Q C -1.058 174.672 176.000 -0.449 0.000 1.106 432 Q CA -1.000 54.563 55.803 -0.400 0.000 0.814 432 Q CB 2.867 31.433 28.738 -0.286 0.000 1.425 432 Q HN 0.530 nan 8.270 nan 0.000 0.437 433 H N 1.209 120.181 119.070 -0.163 0.000 2.991 433 H HA 0.430 4.976 4.556 -0.018 0.000 0.304 433 H C -0.988 174.106 175.328 -0.390 0.000 1.040 433 H CA -0.185 55.708 56.048 -0.259 0.000 1.410 433 H CB 0.639 30.342 29.762 -0.100 0.000 1.529 433 H HN 0.445 nan 8.280 nan 0.000 0.509 434 I N 3.963 124.274 120.570 -0.432 0.000 2.406 434 I HA 0.250 4.409 4.170 -0.018 0.000 0.290 434 I C -0.506 175.304 176.117 -0.512 0.000 0.999 434 I CA -0.601 60.480 61.300 -0.365 0.000 1.124 434 I CB 1.057 38.907 38.000 -0.249 0.000 1.289 434 I HN 0.186 nan 8.210 nan 0.000 0.441 435 F N 3.150 122.830 119.950 -0.449 0.000 2.483 435 F HA 0.541 5.057 4.527 -0.017 0.000 0.329 435 F C 0.586 176.180 175.800 -0.344 0.000 1.064 435 F CA -0.837 56.864 58.000 -0.498 0.000 0.986 435 F CB 1.766 40.196 39.000 -0.950 0.000 1.218 435 F HN 0.256 nan 8.300 nan 0.000 0.484 436 S N 1.106 116.844 115.700 0.064 0.000 2.659 436 S HA 0.779 5.238 4.470 -0.018 0.000 0.312 436 S C -0.953 173.754 174.600 0.178 0.000 1.114 436 S CA -0.530 57.736 58.200 0.109 0.000 1.063 436 S CB 0.525 63.621 63.200 -0.173 0.000 0.996 436 S HN 0.834 nan 8.310 nan 0.000 0.478 437 A N 4.876 127.855 122.820 0.265 0.000 2.260 437 A HA 0.622 4.932 4.320 -0.018 0.000 0.308 437 A C 0.105 177.712 177.584 0.038 0.000 1.254 437 A CA -0.694 51.453 52.037 0.183 0.000 0.874 437 A CB 0.385 19.466 19.000 0.135 0.000 1.153 437 A HN 0.852 nan 8.150 nan 0.000 0.527 438 R N 3.539 123.995 120.500 -0.073 0.000 2.207 438 R HA 0.532 4.861 4.340 -0.018 0.000 0.334 438 R C -1.550 174.561 176.300 -0.316 0.000 1.013 438 R CA -0.341 55.511 56.100 -0.414 0.000 0.858 438 R CB 0.278 30.203 30.300 -0.624 0.000 1.094 438 R HN 0.708 nan 8.270 nan 0.000 0.457 439 L N 4.591 125.622 121.223 -0.321 0.000 2.337 439 L HA 0.250 4.580 4.340 -0.018 0.000 0.269 439 L C -0.462 176.287 176.870 -0.201 0.000 1.018 439 L CA -0.874 53.856 54.840 -0.183 0.000 0.876 439 L CB 1.442 43.457 42.059 -0.074 0.000 1.236 439 L HN 0.565 nan 8.230 nan 0.000 0.436 440 D N 5.033 125.325 120.400 -0.179 0.000 2.383 440 D HA 0.154 4.784 4.640 -0.018 0.000 0.245 440 D C 0.216 176.503 176.300 -0.021 0.000 1.263 440 D CA -0.229 53.720 54.000 -0.085 0.000 0.936 440 D CB 0.603 41.373 40.800 -0.050 0.000 1.053 440 D HN 0.156 nan 8.370 nan 0.000 0.507 441 M N 2.250 121.855 119.600 0.009 0.000 2.240 441 M HA 0.370 4.839 4.480 -0.018 0.000 0.333 441 M C 0.420 176.749 176.300 0.049 0.000 1.110 441 M CA -0.395 54.914 55.300 0.014 0.000 1.173 441 M CB 0.788 33.407 32.600 0.032 0.000 1.458 441 M HN 0.495 nan 8.290 nan 0.000 0.458 442 A N 3.113 125.899 122.820 -0.055 0.000 3.368 442 A HA 0.370 4.680 4.320 -0.018 0.000 0.211 442 A C -0.378 177.129 177.584 -0.129 0.000 1.004 442 A CA -0.555 51.374 52.037 -0.181 0.000 1.059 442 A CB 0.099 18.839 19.000 -0.434 0.000 1.298 442 A HN 0.614 nan 8.150 nan 0.000 0.613 443 I N 1.608 122.162 120.570 -0.027 0.000 2.691 443 I HA 0.038 4.198 4.170 -0.018 0.000 0.288 443 I C 0.508 176.692 176.117 0.111 0.000 1.143 443 I CA 0.923 62.269 61.300 0.078 0.000 1.364 443 I CB -0.942 37.143 38.000 0.142 0.000 1.435 443 I HN 0.498 nan 8.210 nan 0.000 0.551 444 D N 4.847 125.335 120.400 0.148 0.000 2.983 444 D HA -0.162 4.468 4.640 -0.018 0.000 0.225 444 D C 0.603 176.872 176.300 -0.050 0.000 1.174 444 D CA 1.697 55.720 54.000 0.039 0.000 0.831 444 D CB -0.729 40.056 40.800 -0.024 0.000 1.104 444 D HN 1.109 nan 8.370 nan 0.000 0.421 445 G N -2.393 106.329 108.800 -0.130 0.000 2.343 445 G HA2 -0.011 3.939 3.960 -0.018 0.000 0.465 445 G HA3 -0.011 3.939 3.960 -0.018 0.000 0.465 445 G C 0.174 174.937 174.900 -0.228 0.000 1.282 445 G CA -0.369 44.596 45.100 -0.224 0.000 0.996 445 G HN 0.010 nan 8.290 nan 0.000 0.521 446 F N 0.748 120.694 119.950 -0.006 0.000 2.710 446 F HA 0.212 4.729 4.527 -0.017 0.000 0.298 446 F C 2.299 178.103 175.800 0.007 0.000 1.137 446 F CA 1.186 59.178 58.000 -0.014 0.000 1.444 446 F CB 0.226 39.203 39.000 -0.038 0.000 1.111 446 F HN 0.274 nan 8.300 nan 0.000 0.580 447 T N 2.782 117.435 114.554 0.165 0.000 2.978 447 T HA 0.143 4.483 4.350 -0.018 0.000 0.278 447 T C -0.066 174.693 174.700 0.098 0.000 0.945 447 T CA -0.065 62.105 62.100 0.117 0.000 1.070 447 T CB -0.566 68.350 68.868 0.081 0.000 0.948 447 T HN -0.001 nan 8.240 nan 0.000 0.617 448 N N 2.775 121.542 118.700 0.111 0.000 2.469 448 N HA 0.693 5.423 4.740 -0.018 0.000 0.286 448 N C -0.243 175.325 175.510 0.097 0.000 1.275 448 N CA -1.014 52.096 53.050 0.101 0.000 0.790 448 N CB 2.035 40.586 38.487 0.107 0.000 1.446 448 N HN 0.593 nan 8.380 nan 0.000 0.501 449 R N -1.656 118.902 120.500 0.096 0.000 2.739 449 R HA 0.768 5.098 4.340 -0.018 0.000 0.271 449 R C -1.782 174.582 176.300 0.108 0.000 1.010 449 R CA -0.859 55.298 56.100 0.096 0.000 0.897 449 R CB 0.739 31.089 30.300 0.083 0.000 1.236 449 R HN 0.182 nan 8.270 nan 0.000 0.466 450 V N 1.030 121.014 119.914 0.117 0.000 2.604 450 V HA 0.440 4.550 4.120 -0.018 0.000 0.305 450 V C -0.539 175.645 176.094 0.149 0.000 1.043 450 V CA -0.738 61.648 62.300 0.144 0.000 0.888 450 V CB 1.811 33.727 31.823 0.154 0.000 0.995 450 V HN 0.768 nan 8.190 nan 0.000 0.429 451 E N 2.174 122.469 120.200 0.159 0.000 2.222 451 E HA 0.432 4.771 4.350 -0.018 0.000 0.267 451 E C -0.982 175.707 176.600 0.148 0.000 0.884 451 E CA -0.648 55.829 56.400 0.129 0.000 0.764 451 E CB 2.831 32.576 29.700 0.075 0.000 1.169 451 E HN 0.737 nan 8.360 nan 0.000 0.413 452 E N 2.684 122.957 120.200 0.121 0.000 2.200 452 E HA 0.084 4.424 4.350 -0.018 0.000 0.283 452 E C -1.010 175.513 176.600 -0.129 0.000 1.015 452 E CA -0.278 56.106 56.400 -0.026 0.000 0.819 452 E CB 0.949 30.700 29.700 0.086 0.000 1.081 452 E HN 0.409 nan 8.360 nan 0.000 0.397 453 E N 4.246 124.290 120.200 -0.259 0.000 2.158 453 E HA 0.201 4.541 4.350 -0.018 0.000 0.271 453 E C -1.292 175.179 176.600 -0.215 0.000 0.911 453 E CA -0.805 55.486 56.400 -0.180 0.000 0.767 453 E CB 1.011 30.625 29.700 -0.144 0.000 1.120 453 E HN 0.413 nan 8.360 nan 0.000 0.405 454 D N 2.491 122.814 120.400 -0.129 0.000 2.457 454 D HA 0.273 4.902 4.640 -0.018 0.000 0.240 454 D C -0.523 175.745 176.300 -0.053 0.000 1.041 454 D CA -0.549 53.385 54.000 -0.109 0.000 0.861 454 D CB 2.187 42.938 40.800 -0.081 0.000 1.394 454 D HN 0.164 nan 8.370 nan 0.000 0.473 455 V N 1.181 121.068 119.914 -0.045 0.000 2.811 455 V HA 0.239 4.349 4.120 -0.018 0.000 0.302 455 V C 0.178 176.279 176.094 0.011 0.000 1.063 455 V CA -0.276 62.024 62.300 -0.001 0.000 1.088 455 V CB 1.495 33.292 31.823 -0.042 0.000 0.982 455 V HN 0.268 nan 8.190 nan 0.000 0.485 456 V N 5.662 125.613 119.914 0.063 0.000 2.444 456 V HA 0.446 4.556 4.120 -0.018 0.000 0.294 456 V C 0.165 176.311 176.094 0.087 0.000 1.022 456 V CA -0.793 61.540 62.300 0.055 0.000 0.850 456 V CB 1.597 33.449 31.823 0.049 0.000 0.992 456 V HN 0.809 nan 8.190 nan 0.000 0.426 457 R N 3.380 123.911 120.500 0.051 0.000 2.459 457 R HA 0.581 4.910 4.340 -0.018 0.000 0.281 457 R C -0.545 175.792 176.300 0.060 0.000 1.050 457 R CA -0.487 55.650 56.100 0.061 0.000 1.055 457 R CB 1.156 31.468 30.300 0.019 0.000 1.045 457 R HN 0.672 nan 8.270 nan 0.000 0.495 458 Q N 0.329 120.173 119.800 0.072 0.000 2.377 458 Q HA 0.305 4.634 4.340 -0.018 0.000 0.271 458 Q C -0.829 175.194 176.000 0.039 0.000 1.077 458 Q CA -0.717 55.117 55.803 0.050 0.000 0.820 458 Q CB 2.646 31.416 28.738 0.052 0.000 1.347 458 Q HN 0.459 nan 8.270 nan 0.000 0.444 459 T N 1.983 116.552 114.554 0.026 0.000 2.889 459 T HA 0.261 4.601 4.350 -0.018 0.000 0.291 459 T C 0.024 174.735 174.700 0.019 0.000 0.995 459 T CA -0.413 61.699 62.100 0.020 0.000 1.092 459 T CB 0.523 69.399 68.868 0.014 0.000 0.954 459 T HN 0.458 nan 8.240 nan 0.000 0.506 460 M N 3.120 122.731 119.600 0.017 0.000 2.238 460 M HA 0.435 4.905 4.480 -0.018 0.000 0.350 460 M C 0.492 176.798 176.300 0.011 0.000 1.321 460 M CA 0.882 56.191 55.300 0.015 0.000 1.097 460 M CB -0.501 32.107 32.600 0.014 0.000 1.713 460 M HN 0.928 nan 8.290 nan 0.000 0.455 461 G N 4.580 113.386 108.800 0.009 0.000 2.344 461 G HA2 0.202 4.152 3.960 -0.018 0.000 0.282 461 G HA3 0.202 4.152 3.960 -0.018 0.000 0.282 461 G C -3.383 171.519 174.900 0.004 0.000 1.281 461 G CA -1.131 43.972 45.100 0.006 0.000 0.877 461 G HN 0.411 nan 8.290 nan 0.000 0.494 462 P HA 0.300 nan 4.420 nan 0.000 0.260 462 P C 0.999 178.299 177.300 0.000 0.000 1.172 462 P CA 2.388 65.489 63.100 0.001 0.000 0.760 462 P CB 0.627 32.327 31.700 0.001 0.000 0.773 463 G N 2.785 111.584 108.800 -0.002 0.000 2.179 463 G HA2 -0.278 3.672 3.960 -0.018 0.000 0.260 463 G HA3 -0.278 3.672 3.960 -0.018 0.000 0.260 463 G C 0.514 175.411 174.900 -0.005 0.000 0.977 463 G CA 0.355 45.452 45.100 -0.004 0.000 0.641 463 G HN 0.669 nan 8.290 nan 0.000 0.533 464 N N -0.105 118.595 118.700 -0.001 0.000 2.581 464 N HA 0.297 5.026 4.740 -0.018 0.000 0.274 464 N C 0.947 176.461 175.510 0.006 0.000 1.629 464 N CA 0.503 53.554 53.050 0.002 0.000 0.884 464 N CB 0.322 38.813 38.487 0.007 0.000 1.423 464 N HN 0.139 nan 8.380 nan 0.000 0.507 465 E N 0.048 120.250 120.200 0.003 0.000 2.209 465 E HA -0.042 4.298 4.350 -0.018 0.000 0.196 465 E C 1.170 177.775 176.600 0.007 0.000 0.993 465 E CA 1.202 57.604 56.400 0.005 0.000 0.819 465 E CB 0.105 29.806 29.700 0.003 0.000 0.745 465 E HN 0.389 nan 8.360 nan 0.000 0.477 466 R N -0.831 119.674 120.500 0.008 0.000 2.317 466 R HA 0.165 4.495 4.340 -0.018 0.000 0.208 466 R C 0.744 177.054 176.300 0.017 0.000 0.914 466 R CA 0.474 56.581 56.100 0.011 0.000 1.060 466 R CB 0.423 30.729 30.300 0.010 0.000 1.015 466 R HN 0.216 nan 8.270 nan 0.000 0.498 467 G N 2.272 111.084 108.800 0.019 0.000 2.305 467 G HA2 -0.352 3.598 3.960 -0.018 0.000 0.287 467 G HA3 -0.352 3.598 3.960 -0.018 0.000 0.287 467 G C 0.228 175.154 174.900 0.043 0.000 1.036 467 G CA 0.959 46.076 45.100 0.028 0.000 0.887 467 G HN 0.681 nan 8.290 nan 0.000 0.505 468 N N -1.025 117.703 118.700 0.046 0.000 2.294 468 N HA 0.518 5.247 4.740 -0.018 0.000 0.186 468 N C 1.247 176.817 175.510 0.100 0.000 1.107 468 N CA 0.639 53.732 53.050 0.072 0.000 0.884 468 N CB 0.356 38.871 38.487 0.048 0.000 1.030 468 N HN 0.845 nan 8.380 nan 0.000 0.482 469 A N 0.638 123.489 122.820 0.052 0.000 2.462 469 A HA 0.434 4.744 4.320 -0.018 0.000 0.243 469 A C -0.516 177.144 177.584 0.127 0.000 1.076 469 A CA -0.158 51.887 52.037 0.013 0.000 0.773 469 A CB -0.335 18.655 19.000 -0.017 0.000 1.010 469 A HN 0.505 nan 8.150 nan 0.000 0.493 470 F N 0.187 120.132 119.950 -0.007 0.000 2.654 470 F HA 0.790 5.308 4.527 -0.016 0.000 0.308 470 F C -0.313 175.481 175.800 -0.010 0.000 1.108 470 F CA -0.447 57.547 58.000 -0.009 0.000 0.957 470 F CB 0.935 39.929 39.000 -0.010 0.000 1.309 470 F HN 0.601 nan 8.300 nan 0.000 0.446 471 S N 1.158 116.989 115.700 0.219 0.000 3.081 471 S HA 0.860 5.320 4.470 -0.018 0.000 0.316 471 S C -1.441 173.249 174.600 0.149 0.000 1.089 471 S CA -0.765 57.489 58.200 0.090 0.000 0.897 471 S CB 1.445 64.660 63.200 0.026 0.000 1.358 471 S HN 1.127 nan 8.310 nan 0.000 0.678 472 R N 0.595 121.135 120.500 0.067 0.000 2.680 472 R HA 0.616 4.945 4.340 -0.018 0.000 0.269 472 R C -1.965 174.346 176.300 0.017 0.000 1.026 472 R CA -0.928 55.200 56.100 0.047 0.000 0.889 472 R CB 1.299 31.624 30.300 0.041 0.000 1.241 472 R HN 0.708 nan 8.270 nan 0.000 0.463 473 K N 1.742 122.143 120.400 0.001 0.000 2.469 473 K HA 0.593 4.903 4.320 -0.018 0.000 0.254 473 K C -1.181 175.411 176.600 -0.014 0.000 0.939 473 K CA -1.150 55.135 56.287 -0.003 0.000 0.812 473 K CB 2.783 35.282 32.500 -0.001 0.000 1.301 473 K HN 0.639 nan 8.250 nan 0.000 0.433 474 R N 1.060 121.557 120.500 -0.005 0.000 2.561 474 R HA 0.373 4.703 4.340 -0.018 0.000 0.297 474 R C -1.192 175.116 176.300 0.013 0.000 0.969 474 R CA -0.911 55.188 56.100 -0.003 0.000 0.879 474 R CB 2.578 32.881 30.300 0.005 0.000 1.178 474 R HN 0.669 nan 8.270 nan 0.000 0.445 475 T N 2.260 116.828 114.554 0.023 0.000 2.791 475 T HA 0.218 4.558 4.350 -0.018 0.000 0.288 475 T C 0.008 174.745 174.700 0.062 0.000 0.999 475 T CA -0.605 61.519 62.100 0.039 0.000 0.952 475 T CB 1.515 70.407 68.868 0.040 0.000 0.938 475 T HN 0.146 nan 8.240 nan 0.000 0.444 476 V N 5.177 125.125 119.914 0.057 0.000 2.572 476 V HA 0.172 4.281 4.120 -0.018 0.000 0.291 476 V C 0.431 176.571 176.094 0.075 0.000 1.039 476 V CA -0.400 61.941 62.300 0.069 0.000 1.055 476 V CB 0.312 32.170 31.823 0.057 0.000 0.969 476 V HN 0.719 nan 8.190 nan 0.000 0.482 477 L N 5.691 126.970 121.223 0.092 0.000 2.295 477 L HA 0.250 4.579 4.340 -0.018 0.000 0.288 477 L C 1.498 178.414 176.870 0.077 0.000 1.079 477 L CA -0.104 54.789 54.840 0.088 0.000 0.830 477 L CB 0.868 42.990 42.059 0.106 0.000 1.200 477 L HN 0.909 nan 8.230 nan 0.000 0.438 478 T N -0.484 114.108 114.554 0.064 0.000 3.044 478 T HA 0.166 4.505 4.350 -0.018 0.000 0.255 478 T C 0.954 175.689 174.700 0.058 0.000 1.073 478 T CA 0.078 62.213 62.100 0.059 0.000 1.125 478 T CB 0.360 69.257 68.868 0.048 0.000 0.908 478 T HN 0.338 nan 8.240 nan 0.000 0.480 479 R N 0.638 121.173 120.500 0.057 0.000 2.725 479 R HA 0.405 4.735 4.340 -0.018 0.000 0.277 479 R C 0.485 176.823 176.300 0.064 0.000 0.987 479 R CA -0.509 55.625 56.100 0.057 0.000 0.901 479 R CB 1.615 31.942 30.300 0.046 0.000 1.207 479 R HN 0.237 nan 8.270 nan 0.000 0.463 480 E N 0.424 120.669 120.200 0.074 0.000 2.219 480 E HA -0.209 4.130 4.350 -0.018 0.000 0.198 480 E C 1.343 177.984 176.600 0.069 0.000 0.998 480 E CA 2.055 58.509 56.400 0.089 0.000 0.818 480 E CB 0.155 29.918 29.700 0.104 0.000 0.741 480 E HN 0.616 nan 8.360 nan 0.000 0.477 481 S N 0.631 116.362 115.700 0.052 0.000 2.447 481 S HA -0.143 4.317 4.470 -0.018 0.000 0.233 481 S C 1.413 176.023 174.600 0.016 0.000 1.006 481 S CA 0.896 59.116 58.200 0.033 0.000 0.957 481 S CB -0.076 63.141 63.200 0.029 0.000 0.773 481 S HN 0.262 nan 8.310 nan 0.000 0.507 482 E N 0.645 120.860 120.200 0.025 0.000 2.501 482 E HA 0.414 4.754 4.350 -0.018 0.000 0.201 482 E C 0.809 177.419 176.600 0.017 0.000 1.016 482 E CA 0.248 56.659 56.400 0.019 0.000 0.920 482 E CB 0.509 30.229 29.700 0.033 0.000 1.023 482 E HN 0.615 nan 8.360 nan 0.000 0.474 483 A N 1.015 123.843 122.820 0.014 0.000 2.545 483 A HA 0.235 4.545 4.320 -0.018 0.000 0.277 483 A C 0.234 177.768 177.584 -0.082 0.000 1.301 483 A CA -0.183 51.861 52.037 0.012 0.000 0.935 483 A CB 0.320 19.365 19.000 0.075 0.000 1.093 483 A HN 0.036 nan 8.150 nan 0.000 0.519 484 V N 2.746 122.543 119.914 -0.194 0.000 2.293 484 V HA 0.396 4.505 4.120 -0.018 0.000 0.275 484 V C -0.443 175.435 176.094 -0.361 0.000 1.021 484 V CA -0.720 61.281 62.300 -0.500 0.000 0.815 484 V CB 0.577 32.010 31.823 -0.651 0.000 1.025 484 V HN 0.472 nan 8.190 nan 0.000 0.448 485 R N 3.435 123.733 120.500 -0.337 0.000 2.787 485 R HA 0.667 4.996 4.340 -0.018 0.000 0.271 485 R C -0.143 176.108 176.300 -0.081 0.000 0.993 485 R CA -0.711 55.320 56.100 -0.115 0.000 0.993 485 R CB 2.114 32.453 30.300 0.064 0.000 1.155 485 R HN 0.886 nan 8.270 nan 0.000 0.486 486 E N 0.316 120.575 120.200 0.098 0.000 2.263 486 E HA 0.712 5.052 4.350 -0.018 0.000 0.264 486 E C -0.873 175.928 176.600 0.336 0.000 0.923 486 E CA -1.110 55.374 56.400 0.139 0.000 0.802 486 E CB 1.766 31.508 29.700 0.069 0.000 1.228 486 E HN 0.529 nan 8.360 nan 0.000 0.417 487 A N 1.181 124.197 122.820 0.326 0.000 2.313 487 A HA 0.283 4.592 4.320 -0.018 0.000 0.261 487 A C -0.290 177.396 177.584 0.170 0.000 1.090 487 A CA -0.136 52.114 52.037 0.356 0.000 0.807 487 A CB 0.415 19.612 19.000 0.328 0.000 1.055 487 A HN 0.703 nan 8.150 nan 0.000 0.492 488 D N 0.116 120.568 120.400 0.085 0.000 2.668 488 D HA 0.408 5.038 4.640 -0.018 0.000 0.247 488 D C 0.705 177.005 176.300 -0.001 0.000 1.268 488 D CA 0.284 54.301 54.000 0.029 0.000 0.842 488 D CB 0.636 41.434 40.800 -0.003 0.000 1.399 488 D HN 0.472 nan 8.370 nan 0.000 0.530 489 A N 2.727 125.566 122.820 0.031 0.000 1.940 489 A HA -0.171 4.139 4.320 -0.018 0.000 0.219 489 A C 2.078 179.659 177.584 -0.006 0.000 1.176 489 A CA 1.337 53.387 52.037 0.022 0.000 0.631 489 A CB -0.251 18.779 19.000 0.049 0.000 0.814 489 A HN 0.494 nan 8.150 nan 0.000 0.446 490 R N -0.228 120.268 120.500 -0.006 0.000 2.127 490 R HA -0.138 4.191 4.340 -0.018 0.000 0.238 490 R C 1.598 177.875 176.300 -0.039 0.000 1.134 490 R CA 1.930 58.018 56.100 -0.020 0.000 0.975 490 R CB -0.327 29.966 30.300 -0.012 0.000 0.865 490 R HN 0.629 nan 8.270 nan 0.000 0.447 491 T N -3.616 110.912 114.554 -0.044 0.000 3.186 491 T HA 0.241 4.580 4.350 -0.018 0.000 0.257 491 T C 0.855 175.507 174.700 -0.080 0.000 1.029 491 T CA 0.201 62.265 62.100 -0.060 0.000 0.916 491 T CB 0.809 69.644 68.868 -0.054 0.000 1.041 491 T HN 0.353 nan 8.240 nan 0.000 0.562 492 G N 2.421 111.176 108.800 -0.074 0.000 2.305 492 G HA2 -0.346 3.603 3.960 -0.018 0.000 0.287 492 G HA3 -0.346 3.603 3.960 -0.018 0.000 0.287 492 G C 0.049 174.861 174.900 -0.147 0.000 1.036 492 G CA 0.238 45.290 45.100 -0.080 0.000 0.887 492 G HN 0.916 nan 8.290 nan 0.000 0.505 493 R N 0.543 120.921 120.500 -0.204 0.000 2.522 493 R HA 0.428 4.757 4.340 -0.018 0.000 0.284 493 R C 0.848 176.772 176.300 -0.626 0.000 1.032 493 R CA 1.003 56.862 56.100 -0.402 0.000 1.049 493 R CB 0.228 30.279 30.300 -0.414 0.000 0.956 493 R HN 0.479 nan 8.270 nan 0.000 0.422 494 T N 0.667 114.759 114.554 -0.771 0.000 2.838 494 T HA 0.532 4.871 4.350 -0.018 0.000 0.292 494 T C -1.055 173.095 174.700 -0.916 0.000 1.113 494 T CA -0.963 60.675 62.100 -0.770 0.000 1.008 494 T CB 1.241 69.820 68.868 -0.483 0.000 1.259 494 T HN 0.563 nan 8.240 nan 0.000 0.520 495 W N 0.628 121.871 121.300 -0.095 0.000 2.739 495 W HA 0.594 5.243 4.660 -0.017 0.000 0.331 495 W C -1.581 174.918 176.519 -0.033 0.000 1.049 495 W CA -1.032 56.287 57.345 -0.044 0.000 1.234 495 W CB 1.794 31.237 29.460 -0.027 0.000 1.404 495 W HN 0.469 nan 8.180 nan 0.000 0.477 496 I N 3.784 124.450 120.570 0.160 0.000 2.354 496 I HA 0.292 4.452 4.170 -0.018 0.000 0.292 496 I C -0.123 176.085 176.117 0.151 0.000 0.989 496 I CA -0.756 60.618 61.300 0.123 0.000 1.188 496 I CB 1.111 39.151 38.000 0.067 0.000 1.342 496 I HN 0.069 nan 8.210 nan 0.000 0.457 497 I N 5.987 126.653 120.570 0.160 0.000 2.321 497 I HA 0.504 4.664 4.170 -0.018 0.000 0.291 497 I C 0.331 176.538 176.117 0.149 0.000 0.998 497 I CA 0.220 61.608 61.300 0.146 0.000 1.227 497 I CB 1.096 39.175 38.000 0.132 0.000 1.368 497 I HN 0.678 nan 8.210 nan 0.000 0.466 498 S N 4.066 119.841 115.700 0.126 0.000 2.704 498 S HA 0.600 5.060 4.470 -0.018 0.000 0.296 498 S C -0.798 173.863 174.600 0.102 0.000 1.138 498 S CA -0.927 57.347 58.200 0.122 0.000 0.875 498 S CB 1.954 65.212 63.200 0.096 0.000 1.151 498 S HN 0.511 nan 8.310 nan 0.000 0.500 499 N N 1.769 120.522 118.700 0.088 0.000 2.518 499 N HA 0.377 5.106 4.740 -0.018 0.000 0.254 499 N C -2.077 173.458 175.510 0.043 0.000 0.979 499 N CA -2.248 50.840 53.050 0.064 0.000 0.930 499 N CB 1.714 40.232 38.487 0.052 0.000 1.152 499 N HN 0.394 nan 8.380 nan 0.000 0.505 500 P HA -0.044 nan 4.420 nan 0.000 0.228 500 P C 0.035 177.347 177.300 0.020 0.000 1.151 500 P CA 1.102 64.221 63.100 0.032 0.000 0.770 500 P CB 0.536 32.259 31.700 0.038 0.000 0.786 501 E N -0.939 119.272 120.200 0.018 0.000 2.498 501 E HA 0.133 4.472 4.350 -0.018 0.000 0.203 501 E C 0.244 176.839 176.600 -0.009 0.000 1.013 501 E CA -0.034 56.370 56.400 0.008 0.000 0.927 501 E CB 0.441 30.150 29.700 0.015 0.000 1.012 501 E HN 0.002 nan 8.360 nan 0.000 0.482 502 S N 1.296 116.986 115.700 -0.017 0.000 2.707 502 S HA 0.309 4.769 4.470 -0.018 0.000 0.312 502 S C -0.899 173.664 174.600 -0.061 0.000 1.116 502 S CA -0.696 57.474 58.200 -0.049 0.000 1.078 502 S CB 0.438 63.596 63.200 -0.069 0.000 0.997 502 S HN -0.033 nan 8.310 nan 0.000 0.477 503 K N 2.946 123.308 120.400 -0.063 0.000 2.208 503 K HA 0.422 4.731 4.320 -0.018 0.000 0.247 503 K C -0.006 176.542 176.600 -0.086 0.000 0.953 503 K CA -1.033 55.218 56.287 -0.060 0.000 0.837 503 K CB 0.975 33.454 32.500 -0.036 0.000 1.131 503 K HN 0.745 nan 8.250 nan 0.000 0.431 504 N N 0.490 119.140 118.700 -0.083 0.000 2.366 504 N HA 0.013 4.742 4.740 -0.018 0.000 0.277 504 N C 0.710 176.188 175.510 -0.054 0.000 1.275 504 N CA -0.427 52.571 53.050 -0.088 0.000 0.964 504 N CB 0.292 38.733 38.487 -0.076 0.000 1.167 504 N HN 0.581 nan 8.380 nan 0.000 0.568 505 R N -0.755 119.720 120.500 -0.042 0.000 2.293 505 R HA 0.025 4.355 4.340 -0.018 0.000 0.219 505 R C 0.494 176.781 176.300 -0.021 0.000 1.091 505 R CA 1.072 57.155 56.100 -0.028 0.000 1.004 505 R CB -0.698 29.590 30.300 -0.020 0.000 0.865 505 R HN 0.561 nan 8.270 nan 0.000 0.469 506 L N 1.273 122.484 121.223 -0.021 0.000 2.685 506 L HA 0.161 4.490 4.340 -0.018 0.000 0.233 506 L C 0.259 177.120 176.870 -0.016 0.000 1.173 506 L CA -0.098 54.733 54.840 -0.015 0.000 0.961 506 L CB -0.629 41.422 42.059 -0.012 0.000 1.217 506 L HN 0.447 nan 8.230 nan 0.000 0.478 507 N N 1.365 120.053 118.700 -0.020 0.000 2.747 507 N HA -0.155 4.575 4.740 -0.018 0.000 0.249 507 N C -0.452 175.049 175.510 -0.015 0.000 1.107 507 N CA 0.247 53.286 53.050 -0.018 0.000 0.707 507 N CB 0.007 38.486 38.487 -0.013 0.000 1.054 507 N HN 0.366 nan 8.380 nan 0.000 0.555 508 E N 0.200 120.390 120.200 -0.017 0.000 2.212 508 E HA 0.412 4.751 4.350 -0.018 0.000 0.268 508 E C -2.519 174.073 176.600 -0.013 0.000 0.902 508 E CA -1.762 54.632 56.400 -0.010 0.000 0.779 508 E CB 1.532 31.228 29.700 -0.006 0.000 1.172 508 E HN 0.137 nan 8.360 nan 0.000 0.409 509 P HA -0.058 nan 4.420 nan 0.000 0.264 509 P C -0.032 177.275 177.300 0.012 0.000 1.193 509 P CA -0.075 63.028 63.100 0.004 0.000 0.763 509 P CB 0.376 32.090 31.700 0.023 0.000 0.810 510 V N 1.919 121.829 119.914 -0.006 0.000 2.843 510 V HA 0.730 4.840 4.120 -0.018 0.000 0.305 510 V C 0.574 176.761 176.094 0.155 0.000 1.065 510 V CA 0.246 62.559 62.300 0.020 0.000 1.116 510 V CB 0.317 32.060 31.823 -0.134 0.000 0.968 510 V HN 0.728 nan 8.190 nan 0.000 0.487 511 G N 2.241 111.181 108.800 0.234 0.000 2.600 511 G HA2 0.608 4.557 3.960 -0.018 0.000 0.293 511 G HA3 0.608 4.557 3.960 -0.018 0.000 0.293 511 G C -2.320 172.718 174.900 0.230 0.000 1.408 511 G CA -0.747 44.499 45.100 0.244 0.000 0.782 511 G HN 0.741 nan 8.290 nan 0.000 0.482 512 Y N -0.101 120.231 120.300 0.053 0.000 2.457 512 Y HA 0.602 5.142 4.550 -0.017 0.000 0.343 512 Y C 0.075 176.013 175.900 0.063 0.000 0.994 512 Y CA -0.799 57.318 58.100 0.028 0.000 1.031 512 Y CB 2.769 41.213 38.460 -0.027 0.000 1.246 512 Y HN 0.500 nan 8.280 nan 0.000 0.449 513 K N 4.186 124.668 120.400 0.135 0.000 2.235 513 K HA 0.511 4.821 4.320 -0.018 0.000 0.266 513 K C -1.598 175.072 176.600 0.116 0.000 0.980 513 K CA -0.860 55.472 56.287 0.074 0.000 0.849 513 K CB 0.950 33.434 32.500 -0.027 0.000 1.098 513 K HN 0.631 nan 8.250 nan 0.000 0.445 514 L N 5.105 126.384 121.223 0.093 0.000 2.281 514 L HA 0.279 4.608 4.340 -0.018 0.000 0.285 514 L C -1.361 175.526 176.870 0.028 0.000 1.074 514 L CA 0.125 55.052 54.840 0.145 0.000 0.817 514 L CB 0.378 42.522 42.059 0.141 0.000 1.168 514 L HN 0.644 nan 8.230 nan 0.000 0.434 515 H N 4.552 123.727 119.070 0.175 0.000 2.581 515 H HA 0.711 5.256 4.556 -0.018 0.000 0.308 515 H C -0.032 175.430 175.328 0.223 0.000 1.040 515 H CA 0.060 56.206 56.048 0.163 0.000 1.231 515 H CB 1.287 31.132 29.762 0.139 0.000 1.396 515 H HN 0.886 nan 8.280 nan 0.000 0.467 516 A N 2.261 125.276 122.820 0.325 0.000 2.264 516 A HA 0.224 4.533 4.320 -0.018 0.000 0.304 516 A C 0.406 178.286 177.584 0.494 0.000 1.100 516 A CA -0.553 51.720 52.037 0.393 0.000 0.839 516 A CB 0.530 19.801 19.000 0.452 0.000 1.121 516 A HN 1.023 nan 8.150 nan 0.000 0.496 517 H N 0.599 119.857 119.070 0.314 0.000 2.548 517 H HA 0.000 4.545 4.556 -0.018 0.000 0.268 517 H C -0.144 175.309 175.328 0.208 0.000 0.975 517 H CA 0.288 56.471 56.048 0.225 0.000 1.195 517 H CB 0.186 30.076 29.762 0.212 0.000 1.397 517 H HN 0.746 nan 8.280 nan 0.000 0.572 518 N N 1.936 120.865 118.700 0.383 0.000 2.758 518 N HA -0.161 4.568 4.740 -0.018 0.000 0.248 518 N C -0.608 175.039 175.510 0.228 0.000 1.076 518 N CA 0.520 53.741 53.050 0.285 0.000 0.696 518 N CB -0.907 37.706 38.487 0.210 0.000 0.979 518 N HN 0.512 nan 8.380 nan 0.000 0.550 519 Q N -0.131 119.820 119.800 0.252 0.000 2.317 519 Q HA 0.378 4.707 4.340 -0.018 0.000 0.229 519 Q C -1.842 174.245 176.000 0.145 0.000 0.984 519 Q CA -1.091 54.825 55.803 0.188 0.000 0.911 519 Q CB 0.218 29.079 28.738 0.206 0.000 1.217 519 Q HN 0.125 nan 8.270 nan 0.000 0.501 520 P HA -0.008 nan 4.420 nan 0.000 0.266 520 P C -0.244 177.085 177.300 0.047 0.000 1.195 520 P CA 0.261 63.403 63.100 0.069 0.000 0.768 520 P CB 0.459 32.188 31.700 0.048 0.000 0.838 521 T N 0.252 114.827 114.554 0.035 0.000 2.891 521 T HA 0.310 4.649 4.350 -0.018 0.000 0.294 521 T C 0.294 174.967 174.700 -0.045 0.000 1.065 521 T CA -0.910 61.191 62.100 0.002 0.000 0.936 521 T CB 0.060 68.940 68.868 0.020 0.000 1.415 521 T HN 0.182 nan 8.240 nan 0.000 0.572 522 L N 1.007 122.176 121.223 -0.089 0.000 2.628 522 L HA 0.134 4.464 4.340 -0.018 0.000 0.274 522 L C 0.812 177.643 176.870 -0.066 0.000 1.209 522 L CA 0.278 55.049 54.840 -0.114 0.000 0.930 522 L CB -0.452 41.511 42.059 -0.161 0.000 1.183 522 L HN 0.636 nan 8.230 nan 0.000 0.492 523 L N 5.045 126.231 121.223 -0.062 0.000 2.446 523 L HA 0.224 4.553 4.340 -0.018 0.000 0.219 523 L C 1.414 178.276 176.870 -0.013 0.000 1.116 523 L CA 0.187 55.012 54.840 -0.025 0.000 0.844 523 L CB -0.529 41.520 42.059 -0.017 0.000 0.970 523 L HN 0.836 nan 8.230 nan 0.000 0.457 524 A N 0.644 123.449 122.820 -0.026 0.000 2.547 524 A HA -0.097 4.213 4.320 -0.018 0.000 0.233 524 A C 0.291 177.876 177.584 0.001 0.000 1.067 524 A CA -0.080 51.952 52.037 -0.007 0.000 0.763 524 A CB -0.037 18.956 19.000 -0.011 0.000 1.007 524 A HN 0.272 nan 8.150 nan 0.000 0.506 525 D N 1.998 122.406 120.400 0.014 0.000 2.455 525 D HA 0.028 4.658 4.640 -0.018 0.000 0.241 525 D C -1.206 175.099 176.300 0.007 0.000 1.138 525 D CA -0.927 53.082 54.000 0.014 0.000 0.877 525 D CB 0.877 41.689 40.800 0.021 0.000 1.187 525 D HN 0.276 nan 8.370 nan 0.000 0.451 526 P HA -0.085 nan 4.420 nan 0.000 0.223 526 P C 0.970 178.269 177.300 -0.002 0.000 1.144 526 P CA 0.746 63.846 63.100 -0.001 0.000 0.783 526 P CB 0.123 31.823 31.700 -0.000 0.000 0.771 527 G N -0.155 108.647 108.800 0.003 0.000 3.088 527 G HA2 0.044 3.993 3.960 -0.018 0.000 0.217 527 G HA3 0.044 3.993 3.960 -0.018 0.000 0.217 527 G C 0.602 175.506 174.900 0.005 0.000 1.159 527 G CA 0.084 45.185 45.100 0.001 0.000 0.760 527 G HN 0.425 nan 8.290 nan 0.000 0.550 528 S N -0.579 115.130 115.700 0.014 0.000 2.614 528 S HA 0.323 4.783 4.470 -0.018 0.000 0.265 528 S C 1.557 176.161 174.600 0.006 0.000 1.303 528 S CA 0.419 58.640 58.200 0.034 0.000 1.000 528 S CB 1.696 64.928 63.200 0.055 0.000 0.935 528 S HN 0.054 nan 8.310 nan 0.000 0.551 529 S N 0.600 116.303 115.700 0.004 0.000 2.368 529 S HA -0.121 4.339 4.470 -0.018 0.000 0.225 529 S C 1.678 176.243 174.600 -0.058 0.000 1.030 529 S CA 0.931 59.063 58.200 -0.112 0.000 0.999 529 S CB -0.653 62.330 63.200 -0.362 0.000 0.844 529 S HN 0.705 nan 8.310 nan 0.000 0.459 530 I N 1.887 122.474 120.570 0.029 0.000 2.286 530 I HA -0.077 4.082 4.170 -0.018 0.000 0.248 530 I C 2.394 178.523 176.117 0.021 0.000 1.115 530 I CA 1.574 62.913 61.300 0.066 0.000 1.392 530 I CB -1.515 36.532 38.000 0.078 0.000 1.065 530 I HN 0.388 nan 8.210 nan 0.000 0.418 531 A N 1.006 123.823 122.820 -0.005 0.000 1.972 531 A HA -0.193 4.116 4.320 -0.018 0.000 0.219 531 A C 2.371 179.940 177.584 -0.025 0.000 1.169 531 A CA 1.249 53.270 52.037 -0.027 0.000 0.635 531 A CB -0.489 18.500 19.000 -0.018 0.000 0.810 531 A HN 0.456 nan 8.150 nan 0.000 0.446 532 R N -0.980 119.502 120.500 -0.029 0.000 2.075 532 R HA 0.049 4.379 4.340 -0.018 0.000 0.226 532 R C 2.356 178.628 176.300 -0.045 0.000 1.114 532 R CA 0.998 57.070 56.100 -0.048 0.000 0.972 532 R CB -0.246 30.006 30.300 -0.079 0.000 0.869 532 R HN 0.421 nan 8.270 nan 0.000 0.437 533 R N 0.375 120.863 120.500 -0.020 0.000 2.115 533 R HA 0.041 4.371 4.340 -0.018 0.000 0.226 533 R C 1.034 177.450 176.300 0.193 0.000 1.100 533 R CA 1.162 57.271 56.100 0.015 0.000 0.980 533 R CB 0.131 30.440 30.300 0.014 0.000 0.875 533 R HN 0.077 nan 8.270 nan 0.000 0.445 534 A N 0.299 123.236 122.820 0.196 0.000 2.965 534 A HA 0.467 4.777 4.320 -0.018 0.000 0.304 534 A C 1.317 178.775 177.584 -0.210 0.000 1.214 534 A CA 0.092 52.188 52.037 0.097 0.000 0.977 534 A CB 0.190 19.137 19.000 -0.089 0.000 1.127 534 A HN 0.245 nan 8.150 nan 0.000 0.572 535 A N 0.488 123.280 122.820 -0.048 0.000 1.948 535 A HA -0.122 4.187 4.320 -0.018 0.000 0.220 535 A C 1.837 179.411 177.584 -0.017 0.000 1.177 535 A CA 1.916 53.936 52.037 -0.029 0.000 0.636 535 A CB -1.015 17.988 19.000 0.006 0.000 0.815 535 A HN 1.361 nan 8.150 nan 0.000 0.449 536 F N -0.117 119.729 119.950 -0.173 0.000 2.192 536 F HA -0.036 4.481 4.527 -0.018 0.000 0.301 536 F C 2.063 177.943 175.800 0.132 0.000 1.079 536 F CA 0.929 58.744 58.000 -0.308 0.000 1.303 536 F CB -0.950 37.754 39.000 -0.493 0.000 1.024 536 F HN 0.159 nan 8.300 nan 0.000 0.494 537 A N 0.478 122.632 122.820 -1.110 0.000 2.209 537 A HA -0.033 4.277 4.320 -0.018 0.000 0.212 537 A C 2.108 179.565 177.584 -0.212 0.000 1.158 537 A CA 1.402 53.000 52.037 -0.731 0.000 0.742 537 A CB -1.494 16.920 19.000 -0.976 0.000 0.790 537 A HN 0.605 nan 8.150 nan 0.000 0.472 538 T N -3.684 110.840 114.554 -0.051 0.000 3.081 538 T HA 0.194 4.533 4.350 -0.018 0.000 0.255 538 T C 0.635 175.364 174.700 0.048 0.000 1.113 538 T CA 0.224 62.330 62.100 0.011 0.000 1.082 538 T CB 0.125 69.011 68.868 0.029 0.000 0.939 538 T HN 0.116 nan 8.240 nan 0.000 0.506 539 K N 1.012 121.494 120.400 0.137 0.000 2.426 539 K HA 0.378 4.688 4.320 -0.018 0.000 0.251 539 K C -0.493 176.168 176.600 0.103 0.000 0.941 539 K CA -0.457 55.824 56.287 -0.010 0.000 0.808 539 K CB 2.197 34.449 32.500 -0.414 0.000 1.265 539 K HN -0.052 nan 8.250 nan 0.000 0.432 540 D N 0.393 120.815 120.400 0.036 0.000 2.149 540 D HA -0.046 4.583 4.640 -0.018 0.000 0.201 540 D C 0.048 176.396 176.300 0.081 0.000 0.972 540 D CA 0.902 54.970 54.000 0.113 0.000 0.835 540 D CB 0.265 41.175 40.800 0.182 0.000 0.966 540 D HN 0.115 nan 8.370 nan 0.000 0.476 541 L N -0.455 120.658 121.223 -0.185 0.000 2.455 541 L HA 0.470 4.799 4.340 -0.018 0.000 0.264 541 L C -2.009 174.745 176.870 -0.193 0.000 0.968 541 L CA -0.622 54.078 54.840 -0.233 0.000 0.827 541 L CB 1.556 43.035 42.059 -0.966 0.000 1.317 541 L HN -0.121 nan 8.230 nan 0.000 0.407 542 W N 4.191 125.484 121.300 -0.012 0.000 2.883 542 W HA 0.753 5.403 4.660 -0.018 0.000 0.335 542 W C -1.231 175.398 176.519 0.184 0.000 1.083 542 W CA -0.822 56.551 57.345 0.047 0.000 1.233 542 W CB 2.012 31.472 29.460 0.001 0.000 1.412 542 W HN 0.166 nan 8.180 nan 0.000 0.490 543 V N 2.793 122.921 119.914 0.356 0.000 2.531 543 V HA 0.730 4.840 4.120 -0.018 0.000 0.301 543 V C -0.030 176.259 176.094 0.325 0.000 1.034 543 V CA -0.782 61.715 62.300 0.327 0.000 0.865 543 V CB 1.372 33.304 31.823 0.180 0.000 0.995 543 V HN 0.594 nan 8.190 nan 0.000 0.424 544 T N 1.638 116.432 114.554 0.400 0.000 2.916 544 T HA 0.762 5.101 4.350 -0.018 0.000 0.292 544 T C -0.480 174.356 174.700 0.228 0.000 1.064 544 T CA -0.976 61.310 62.100 0.311 0.000 1.011 544 T CB 2.152 71.249 68.868 0.382 0.000 1.152 544 T HN 0.509 nan 8.240 nan 0.000 0.510 545 R N 0.674 121.264 120.500 0.148 0.000 2.340 545 R HA 0.369 4.699 4.340 -0.018 0.000 0.300 545 R C -0.877 175.470 176.300 0.078 0.000 1.069 545 R CA -0.929 55.237 56.100 0.110 0.000 0.984 545 R CB -0.403 29.938 30.300 0.070 0.000 1.003 545 R HN 0.773 nan 8.270 nan 0.000 0.459 546 Y N 3.123 123.420 120.300 -0.004 0.000 2.712 546 Y HA 0.293 4.833 4.550 -0.017 0.000 0.333 546 Y C -0.761 175.089 175.900 -0.084 0.000 1.225 546 Y CA 0.912 58.978 58.100 -0.056 0.000 1.499 546 Y CB 0.455 38.845 38.460 -0.117 0.000 1.288 546 Y HN 0.742 nan 8.280 nan 0.000 0.575 547 A N 5.360 127.437 122.820 -1.239 0.000 2.517 547 A HA 0.290 4.599 4.320 -0.018 0.000 0.297 547 A C 0.170 177.110 177.584 -1.072 0.000 1.050 547 A CA -0.585 50.910 52.037 -0.903 0.000 0.694 547 A CB 0.925 19.635 19.000 -0.484 0.000 1.277 547 A HN 0.791 nan 8.150 nan 0.000 0.400 548 D N 1.113 121.142 120.400 -0.620 0.000 2.149 548 D HA -0.166 4.464 4.640 -0.018 0.000 0.198 548 D C 0.742 176.880 176.300 -0.270 0.000 0.990 548 D CA 2.181 55.996 54.000 -0.307 0.000 0.839 548 D CB 0.084 40.828 40.800 -0.092 0.000 0.948 548 D HN 0.769 nan 8.370 nan 0.000 0.460 549 D N 0.031 120.263 120.400 -0.279 0.000 2.342 549 D HA -0.028 4.602 4.640 -0.018 0.000 0.221 549 D C -0.122 175.989 176.300 -0.315 0.000 1.101 549 D CA 0.016 53.880 54.000 -0.226 0.000 0.837 549 D CB -0.533 40.182 40.800 -0.142 0.000 0.938 549 D HN 0.123 nan 8.370 nan 0.000 0.508 550 E N 0.671 120.595 120.200 -0.460 0.000 2.261 550 E HA 0.325 4.664 4.350 -0.018 0.000 0.239 550 E C 0.489 176.931 176.600 -0.263 0.000 0.991 550 E CA -0.293 55.739 56.400 -0.613 0.000 0.847 550 E CB 1.026 30.144 29.700 -0.970 0.000 1.223 550 E HN 0.152 nan 8.360 nan 0.000 0.446 551 R N 0.994 121.316 120.500 -0.296 0.000 2.167 551 R HA 0.121 4.451 4.340 -0.018 0.000 0.201 551 R C -0.014 175.983 176.300 -0.504 0.000 1.024 551 R CA 0.617 56.385 56.100 -0.553 0.000 1.053 551 R CB 0.409 30.049 30.300 -1.099 0.000 0.987 551 R HN 0.264 nan 8.270 nan 0.000 0.493 552 Y N 0.340 120.771 120.300 0.217 0.000 2.485 552 Y HA 0.305 4.845 4.550 -0.017 0.000 0.345 552 Y C -1.775 174.148 175.900 0.038 0.000 0.998 552 Y CA -3.220 54.978 58.100 0.163 0.000 1.059 552 Y CB 1.133 39.581 38.460 -0.020 0.000 1.234 552 Y HN -0.182 nan 8.280 nan 0.000 0.461 553 P HA -0.096 nan 4.420 nan 0.000 0.226 553 P C 0.629 177.712 177.300 -0.362 0.000 1.153 553 P CA 1.482 64.284 63.100 -0.497 0.000 0.777 553 P CB 0.146 31.438 31.700 -0.680 0.000 0.794 554 T N -4.683 109.772 114.554 -0.166 0.000 3.085 554 T HA 0.505 4.845 4.350 -0.018 0.000 0.264 554 T C 0.902 175.567 174.700 -0.059 0.000 1.019 554 T CA 0.072 62.123 62.100 -0.082 0.000 0.910 554 T CB -0.156 68.699 68.868 -0.021 0.000 1.059 554 T HN 0.334 nan 8.240 nan 0.000 0.542 555 G N 1.555 110.355 108.800 0.000 0.000 2.796 555 G HA2 -0.180 3.770 3.960 -0.018 0.000 0.571 555 G HA3 -0.180 3.770 3.960 -0.018 0.000 0.571 555 G C -0.141 174.771 174.900 0.020 0.000 1.370 555 G CA -0.150 44.975 45.100 0.042 0.000 0.856 555 G HN 0.179 nan 8.290 nan 0.000 0.538 556 D N -0.530 119.785 120.400 -0.143 0.000 2.144 556 D HA 0.058 4.687 4.640 -0.018 0.000 0.200 556 D C 0.953 176.721 176.300 -0.886 0.000 0.978 556 D CA 1.503 55.200 54.000 -0.505 0.000 0.833 556 D CB -0.064 40.181 40.800 -0.924 0.000 0.961 556 D HN 0.248 nan 8.370 nan 0.000 0.470 557 F N 0.040 119.844 119.950 -0.244 0.000 2.366 557 F HA 0.239 4.755 4.527 -0.017 0.000 0.366 557 F C 1.042 176.671 175.800 -0.285 0.000 1.096 557 F CA -0.674 57.136 58.000 -0.315 0.000 1.060 557 F CB 1.549 40.291 39.000 -0.430 0.000 1.282 557 F HN -0.361 nan 8.300 nan 0.000 0.450 558 V N 0.352 120.201 119.914 -0.109 0.000 2.685 558 V HA -0.074 4.036 4.120 -0.018 0.000 0.244 558 V C 1.045 177.040 176.094 -0.165 0.000 1.054 558 V CA 0.316 62.502 62.300 -0.190 0.000 1.076 558 V CB -0.471 31.148 31.823 -0.340 0.000 0.725 558 V HN 0.663 nan 8.190 nan 0.000 0.467 559 N N 1.656 120.302 118.700 -0.090 0.000 2.411 559 N HA -0.060 4.669 4.740 -0.018 0.000 0.265 559 N C 0.478 175.961 175.510 -0.045 0.000 1.266 559 N CA 0.724 53.734 53.050 -0.067 0.000 0.889 559 N CB -0.248 38.203 38.487 -0.059 0.000 1.069 559 N HN 0.430 nan 8.380 nan 0.000 0.476 560 Q N 0.157 119.928 119.800 -0.048 0.000 2.435 560 Q HA -0.311 4.018 4.340 -0.018 0.000 0.286 560 Q C -1.061 174.930 176.000 -0.015 0.000 1.229 560 Q CA 0.889 56.666 55.803 -0.044 0.000 0.884 560 Q CB -1.685 27.026 28.738 -0.044 0.000 1.245 560 Q HN 0.707 nan 8.270 nan 0.000 0.488 561 H N -0.310 118.668 119.070 -0.153 0.000 2.505 561 H HA 0.490 5.036 4.556 -0.018 0.000 0.338 561 H C 0.121 175.353 175.328 -0.161 0.000 1.057 561 H CA 0.062 56.025 56.048 -0.141 0.000 1.202 561 H CB 0.983 30.672 29.762 -0.121 0.000 1.466 561 H HN 0.219 nan 8.280 nan 0.000 0.499 562 S N 2.835 118.179 115.700 -0.593 0.000 2.633 562 S HA 0.395 4.854 4.470 -0.018 0.000 0.257 562 S C 0.995 175.228 174.600 -0.611 0.000 1.265 562 S CA -0.357 57.547 58.200 -0.493 0.000 0.980 562 S CB 0.370 63.361 63.200 -0.348 0.000 1.017 562 S HN 0.844 nan 8.310 nan 0.000 0.577 563 G N -1.652 106.937 108.800 -0.351 0.000 2.667 563 G HA2 0.471 4.420 3.960 -0.018 0.000 0.250 563 G HA3 0.471 4.420 3.960 -0.018 0.000 0.250 563 G C 0.863 175.606 174.900 -0.262 0.000 1.212 563 G CA -0.277 44.668 45.100 -0.259 0.000 0.874 563 G HN 1.919 nan 8.290 nan 0.000 0.561 564 G N -1.763 106.940 108.800 -0.161 0.000 2.624 564 G HA2 0.345 4.294 3.960 -0.018 0.000 0.190 564 G HA3 0.345 4.294 3.960 -0.018 0.000 0.190 564 G C 0.381 175.253 174.900 -0.047 0.000 1.008 564 G CA 0.731 45.776 45.100 -0.093 0.000 0.731 564 G HN 1.790 nan 8.290 nan 0.000 0.478 565 A N -0.423 122.380 122.820 -0.029 0.000 2.468 565 A HA 1.089 5.399 4.320 -0.018 0.000 0.270 565 A C 1.322 178.728 177.584 -0.297 0.000 1.217 565 A CA 0.926 52.921 52.037 -0.070 0.000 0.908 565 A CB 0.707 19.761 19.000 0.090 0.000 1.423 565 A HN 2.293 nan 8.150 nan 0.000 0.459 566 G N -1.791 106.693 108.800 -0.525 0.000 2.693 566 G HA2 -0.117 3.832 3.960 -0.018 0.000 0.226 566 G HA3 -0.117 3.832 3.960 -0.018 0.000 0.226 566 G C 0.711 174.709 174.900 -1.503 0.000 1.354 566 G CA 0.034 44.606 45.100 -0.881 0.000 0.873 566 G HN 1.239 nan 8.290 nan 0.000 0.562 567 L N 1.010 121.541 121.223 -1.153 0.000 2.021 567 L HA -0.138 4.192 4.340 -0.018 0.000 0.215 567 L C 0.344 176.864 176.870 -0.583 0.000 1.074 567 L CA 2.804 57.037 54.840 -1.010 0.000 0.760 567 L CB -1.263 39.979 42.059 -1.360 0.000 0.889 567 L HN 0.462 nan 8.230 nan 0.000 0.433 568 P HA -0.127 nan 4.420 nan 0.000 0.216 568 P C 1.674 178.896 177.300 -0.131 0.000 1.150 568 P CA 1.414 64.446 63.100 -0.113 0.000 0.837 568 P CB 0.095 31.747 31.700 -0.080 0.000 0.786 569 S N -1.863 113.673 115.700 -0.273 0.000 2.371 569 S HA -0.142 4.318 4.470 -0.018 0.000 0.224 569 S C 1.700 176.288 174.600 -0.020 0.000 1.029 569 S CA 1.089 59.193 58.200 -0.159 0.000 0.978 569 S CB -1.062 62.021 63.200 -0.194 0.000 0.833 569 S HN 0.120 nan 8.310 nan 0.000 0.466 570 Y N 1.356 121.599 120.300 -0.095 0.000 2.145 570 Y HA 0.001 4.541 4.550 -0.018 0.000 0.286 570 Y C 2.167 178.050 175.900 -0.029 0.000 1.145 570 Y CA -0.372 57.677 58.100 -0.084 0.000 1.148 570 Y CB -1.276 37.090 38.460 -0.155 0.000 0.981 570 Y HN 0.141 nan 8.280 nan 0.000 0.507 571 I N 0.470 121.126 120.570 0.143 0.000 2.335 571 I HA -0.254 3.905 4.170 -0.018 0.000 0.251 571 I C 2.467 178.641 176.117 0.095 0.000 1.129 571 I CA 1.314 62.696 61.300 0.137 0.000 1.402 571 I CB -1.107 37.006 38.000 0.188 0.000 1.069 571 I HN 0.145 nan 8.210 nan 0.000 0.424 572 A N -0.383 122.480 122.820 0.072 0.000 2.076 572 A HA -0.254 4.056 4.320 -0.018 0.000 0.220 572 A C 2.185 179.799 177.584 0.050 0.000 1.160 572 A CA 1.392 53.459 52.037 0.050 0.000 0.653 572 A CB -0.640 18.380 19.000 0.033 0.000 0.801 572 A HN 0.565 nan 8.150 nan 0.000 0.455 573 Q N -1.250 118.586 119.800 0.061 0.000 2.437 573 Q HA -0.091 4.238 4.340 -0.018 0.000 0.210 573 Q C 0.143 176.171 176.000 0.046 0.000 0.972 573 Q CA 0.471 56.304 55.803 0.049 0.000 0.903 573 Q CB -0.122 28.646 28.738 0.050 0.000 0.967 573 Q HN 0.617 nan 8.270 nan 0.000 0.486 574 D N 0.960 121.393 120.400 0.055 0.000 2.692 574 D HA -0.182 4.447 4.640 -0.018 0.000 0.233 574 D C -0.898 175.431 176.300 0.049 0.000 1.172 574 D CA 0.595 54.626 54.000 0.051 0.000 0.636 574 D CB -0.517 40.307 40.800 0.040 0.000 1.028 574 D HN 0.222 nan 8.370 nan 0.000 0.419 575 R N 0.419 120.952 120.500 0.055 0.000 2.615 575 R HA 0.301 4.630 4.340 -0.018 0.000 0.270 575 R C 0.266 176.599 176.300 0.056 0.000 1.081 575 R CA -0.537 55.593 56.100 0.050 0.000 1.154 575 R CB 0.397 30.725 30.300 0.047 0.000 1.063 575 R HN 0.176 nan 8.270 nan 0.000 0.519 576 D N 1.924 122.355 120.400 0.051 0.000 2.383 576 D HA 0.032 4.662 4.640 -0.018 0.000 0.252 576 D C 0.448 176.787 176.300 0.065 0.000 1.166 576 D CA -0.029 54.003 54.000 0.053 0.000 0.879 576 D CB 0.576 41.403 40.800 0.045 0.000 1.164 576 D HN 0.552 nan 8.370 nan 0.000 0.462 577 I N -0.204 120.409 120.570 0.072 0.000 4.102 577 I HA 0.344 4.504 4.170 -0.018 0.000 0.325 577 I C 0.076 176.242 176.117 0.082 0.000 1.471 577 I CA -0.512 60.839 61.300 0.086 0.000 1.133 577 I CB 0.526 38.587 38.000 0.101 0.000 1.184 577 I HN 0.064 nan 8.210 nan 0.000 0.451 578 D N 2.944 123.386 120.400 0.070 0.000 2.494 578 D HA 0.378 5.008 4.640 -0.018 0.000 0.217 578 D C 1.047 177.385 176.300 0.063 0.000 1.153 578 D CA 0.462 54.501 54.000 0.065 0.000 0.954 578 D CB 0.477 41.311 40.800 0.056 0.000 1.034 578 D HN 0.561 nan 8.370 nan 0.000 0.518 579 G N 3.149 111.991 108.800 0.070 0.000 2.370 579 G HA2 -0.174 3.775 3.960 -0.018 0.000 0.268 579 G HA3 -0.174 3.775 3.960 -0.018 0.000 0.268 579 G C -0.117 174.827 174.900 0.074 0.000 1.122 579 G CA -0.341 44.800 45.100 0.069 0.000 0.963 579 G HN 0.466 nan 8.290 nan 0.000 0.500 580 Q N -0.759 119.092 119.800 0.086 0.000 2.687 580 Q HA 0.371 4.700 4.340 -0.018 0.000 0.305 580 Q C -1.034 175.033 176.000 0.110 0.000 1.006 580 Q CA -0.925 54.930 55.803 0.087 0.000 0.763 580 Q CB 0.976 29.760 28.738 0.076 0.000 1.506 580 Q HN 0.220 nan 8.270 nan 0.000 0.459 581 D N 2.015 122.471 120.400 0.093 0.000 2.367 581 D HA 0.261 4.890 4.640 -0.018 0.000 0.255 581 D C -0.344 176.031 176.300 0.126 0.000 1.300 581 D CA 0.092 54.142 54.000 0.084 0.000 0.959 581 D CB -0.422 40.328 40.800 -0.084 0.000 1.064 581 D HN 0.416 nan 8.370 nan 0.000 0.509 582 I N -0.057 120.600 120.570 0.146 0.000 2.910 582 I HA 0.674 4.833 4.170 -0.018 0.000 0.310 582 I C -0.866 175.326 176.117 0.126 0.000 1.043 582 I CA -1.064 60.324 61.300 0.147 0.000 1.053 582 I CB 2.174 40.255 38.000 0.135 0.000 1.242 582 I HN -0.126 nan 8.210 nan 0.000 0.452 583 V N 3.789 123.775 119.914 0.120 0.000 2.588 583 V HA 0.414 4.524 4.120 -0.018 0.000 0.304 583 V C -0.155 175.930 176.094 -0.015 0.000 1.042 583 V CA -0.667 61.618 62.300 -0.025 0.000 0.877 583 V CB 1.819 33.572 31.823 -0.116 0.000 0.996 583 V HN 0.571 nan 8.190 nan 0.000 0.425 584 V N 3.692 123.533 119.914 -0.122 0.000 2.427 584 V HA 0.470 4.580 4.120 -0.018 0.000 0.286 584 V C -1.115 174.917 176.094 -0.102 0.000 1.034 584 V CA -0.456 61.845 62.300 0.002 0.000 0.893 584 V CB 1.625 33.445 31.823 -0.004 0.000 0.982 584 V HN 0.918 nan 8.190 nan 0.000 0.452 585 W N 4.021 125.370 121.300 0.083 0.000 2.336 585 W HA 0.510 5.160 4.660 -0.017 0.000 0.315 585 W C -0.197 176.423 176.519 0.169 0.000 1.016 585 W CA -0.651 56.747 57.345 0.089 0.000 1.318 585 W CB 0.523 30.010 29.460 0.045 0.000 1.247 585 W HN 0.598 nan 8.180 nan 0.000 0.414 586 H N 1.638 120.796 119.070 0.147 0.000 2.504 586 H HA 0.520 5.066 4.556 -0.017 0.000 0.322 586 H C -0.353 175.158 175.328 0.305 0.000 1.055 586 H CA -0.236 55.862 56.048 0.084 0.000 1.231 586 H CB 1.028 30.637 29.762 -0.255 0.000 1.417 586 H HN 0.177 nan 8.280 nan 0.000 0.472 587 T N 7.254 121.812 114.554 0.006 0.000 2.806 587 T HA 0.433 4.772 4.350 -0.018 0.000 0.290 587 T C -1.022 173.593 174.700 -0.140 0.000 0.966 587 T CA -0.224 61.905 62.100 0.048 0.000 1.060 587 T CB -0.281 68.716 68.868 0.216 0.000 0.927 587 T HN 0.498 nan 8.240 nan 0.000 0.485 588 F N -0.088 119.766 119.950 -0.160 0.000 2.665 588 F HA 0.845 5.362 4.527 -0.017 0.000 0.308 588 F C -0.272 175.635 175.800 0.178 0.000 1.112 588 F CA -1.138 56.832 58.000 -0.049 0.000 0.972 588 F CB 1.044 39.987 39.000 -0.096 0.000 1.295 588 F HN 0.816 nan 8.300 nan 0.000 0.440 589 G N 1.529 110.436 108.800 0.179 0.000 2.495 589 G HA2 0.576 4.526 3.960 -0.018 0.000 0.294 589 G HA3 0.576 4.526 3.960 -0.018 0.000 0.294 589 G C -2.513 172.485 174.900 0.164 0.000 1.397 589 G CA -1.115 44.079 45.100 0.157 0.000 0.790 589 G HN 0.834 nan 8.290 nan 0.000 0.486 590 L N 0.266 121.574 121.223 0.140 0.000 2.334 590 L HA 0.634 4.964 4.340 -0.018 0.000 0.276 590 L C -0.110 176.747 176.870 -0.022 0.000 1.014 590 L CA -0.740 54.149 54.840 0.081 0.000 0.815 590 L CB 2.431 44.544 42.059 0.090 0.000 1.268 590 L HN 0.442 nan 8.230 nan 0.000 0.428 591 T N 0.551 115.049 114.554 -0.093 0.000 2.772 591 T HA 0.262 4.602 4.350 -0.018 0.000 0.288 591 T C -0.737 173.736 174.700 -0.379 0.000 0.994 591 T CA -0.282 61.650 62.100 -0.280 0.000 0.951 591 T CB 0.218 68.944 68.868 -0.237 0.000 0.933 591 T HN 0.424 nan 8.240 nan 0.000 0.447 592 H N 2.836 121.478 119.070 -0.713 0.000 2.504 592 H HA 0.414 4.959 4.556 -0.017 0.000 0.322 592 H C -1.151 173.666 175.328 -0.850 0.000 1.055 592 H CA -1.077 54.573 56.048 -0.663 0.000 1.231 592 H CB 0.460 29.869 29.762 -0.588 0.000 1.417 592 H HN 0.452 nan 8.280 nan 0.000 0.472 593 F N 6.331 126.193 119.950 -0.146 0.000 2.363 593 F HA 0.274 4.790 4.527 -0.018 0.000 0.366 593 F C -2.112 173.633 175.800 -0.092 0.000 1.083 593 F CA -2.525 55.251 58.000 -0.375 0.000 1.176 593 F CB 0.822 39.488 39.000 -0.556 0.000 1.432 593 F HN 0.500 nan 8.300 nan 0.000 0.482 594 P HA 0.012 nan 4.420 nan 0.000 0.261 594 P C -0.242 177.142 177.300 0.141 0.000 1.173 594 P CA 0.368 63.430 63.100 -0.063 0.000 0.760 594 P CB 0.556 32.205 31.700 -0.086 0.000 0.783 595 R N 1.879 122.488 120.500 0.182 0.000 2.691 595 R HA 0.329 4.659 4.340 -0.018 0.000 0.259 595 R C 1.231 177.612 176.300 0.135 0.000 1.048 595 R CA -1.011 55.174 56.100 0.142 0.000 1.086 595 R CB 0.323 30.706 30.300 0.137 0.000 1.166 595 R HN 0.111 nan 8.270 nan 0.000 0.526 596 V N 1.275 121.248 119.914 0.098 0.000 2.490 596 V HA -0.212 3.898 4.120 -0.018 0.000 0.250 596 V C 1.438 177.627 176.094 0.159 0.000 1.061 596 V CA 1.833 64.200 62.300 0.112 0.000 1.064 596 V CB -0.567 31.297 31.823 0.068 0.000 0.670 596 V HN 0.694 nan 8.190 nan 0.000 0.461 597 E N 0.018 120.292 120.200 0.124 0.000 2.409 597 E HA -0.152 4.188 4.350 -0.018 0.000 0.198 597 E C 1.548 178.223 176.600 0.124 0.000 1.024 597 E CA 0.792 57.256 56.400 0.107 0.000 0.861 597 E CB -0.211 29.535 29.700 0.075 0.000 0.788 597 E HN 0.582 nan 8.360 nan 0.000 0.521 598 D N -1.008 119.501 120.400 0.183 0.000 2.340 598 D HA -0.050 4.579 4.640 -0.018 0.000 0.220 598 D C -0.257 176.193 176.300 0.249 0.000 1.039 598 D CA 0.223 54.345 54.000 0.204 0.000 0.866 598 D CB 0.149 41.117 40.800 0.281 0.000 0.913 598 D HN 0.216 nan 8.370 nan 0.000 0.523 599 W N 2.307 123.633 121.300 0.043 0.000 2.606 599 W HA 0.218 4.868 4.660 -0.018 0.000 0.332 599 W C -1.935 174.612 176.519 0.047 0.000 1.052 599 W CA -1.994 55.377 57.345 0.043 0.000 1.223 599 W CB 2.146 31.630 29.460 0.039 0.000 1.383 599 W HN -0.212 nan 8.180 nan 0.000 0.524 600 P HA 0.097 nan 4.420 nan 0.000 0.240 600 P C -0.036 176.828 177.300 -0.726 0.000 1.190 600 P CA 0.823 63.033 63.100 -1.483 0.000 0.781 600 P CB 1.419 32.516 31.700 -1.006 0.000 0.931 601 I N 0.324 120.655 120.570 -0.398 0.000 2.607 601 I HA 0.308 4.467 4.170 -0.018 0.000 0.290 601 I C -0.585 175.406 176.117 -0.209 0.000 1.129 601 I CA -1.830 59.236 61.300 -0.390 0.000 1.042 601 I CB 2.416 39.949 38.000 -0.778 0.000 1.242 601 I HN -0.255 nan 8.210 nan 0.000 0.421 602 M N 9.656 129.180 119.600 -0.127 0.000 2.216 602 M HA 0.619 5.088 4.480 -0.018 0.000 0.356 602 M C -2.579 173.680 176.300 -0.070 0.000 1.205 602 M CA -1.291 53.986 55.300 -0.040 0.000 1.122 602 M CB 1.102 33.735 32.600 0.056 0.000 1.571 602 M HN 0.220 nan 8.290 nan 0.000 0.464 603 P HA 0.107 nan 4.420 nan 0.000 0.275 603 P C -0.485 176.787 177.300 -0.047 0.000 1.228 603 P CA -0.379 62.691 63.100 -0.051 0.000 0.786 603 P CB 0.833 32.513 31.700 -0.032 0.000 0.927 604 V N 2.849 122.735 119.914 -0.046 0.000 2.720 604 V HA -0.068 4.041 4.120 -0.018 0.000 0.307 604 V C 0.804 176.859 176.094 -0.064 0.000 1.071 604 V CA 1.143 63.415 62.300 -0.046 0.000 1.199 604 V CB -0.320 31.487 31.823 -0.026 0.000 0.900 604 V HN 0.657 nan 8.190 nan 0.000 0.494 605 D N 2.294 122.641 120.400 -0.088 0.000 2.457 605 D HA 0.687 5.316 4.640 -0.018 0.000 0.240 605 D C -0.263 175.981 176.300 -0.094 0.000 1.041 605 D CA -0.194 53.749 54.000 -0.096 0.000 0.861 605 D CB 2.247 42.957 40.800 -0.149 0.000 1.394 605 D HN 0.753 nan 8.370 nan 0.000 0.473 606 T N -1.073 113.440 114.554 -0.069 0.000 2.901 606 T HA 0.790 5.130 4.350 -0.018 0.000 0.293 606 T C -0.941 173.764 174.700 0.009 0.000 1.084 606 T CA -0.805 61.250 62.100 -0.076 0.000 1.008 606 T CB 1.540 70.346 68.868 -0.103 0.000 1.170 606 T HN 0.271 nan 8.240 nan 0.000 0.509 607 V N -0.370 119.545 119.914 0.001 0.000 3.225 607 V HA 0.859 4.969 4.120 -0.018 0.000 0.293 607 V C -0.220 175.871 176.094 -0.006 0.000 1.405 607 V CA 0.540 62.929 62.300 0.149 0.000 1.038 607 V CB 1.678 33.647 31.823 0.244 0.000 1.123 607 V HN 1.704 nan 8.190 nan 0.000 0.447 608 G N 2.695 111.346 108.800 -0.247 0.000 2.393 608 G HA2 0.706 4.655 3.960 -0.018 0.000 0.264 608 G HA3 0.706 4.655 3.960 -0.018 0.000 0.264 608 G C -1.448 172.903 174.900 -0.915 0.000 1.221 608 G CA 0.236 44.996 45.100 -0.566 0.000 0.912 608 G HN 1.951 nan 8.290 nan 0.000 0.483 609 F N -0.964 118.613 119.950 -0.622 0.000 2.807 609 F HA 0.858 5.374 4.527 -0.018 0.000 0.316 609 F C -1.090 174.678 175.800 -0.053 0.000 1.162 609 F CA -0.955 56.855 58.000 -0.317 0.000 0.910 609 F CB 1.498 40.327 39.000 -0.285 0.000 1.314 609 F HN 0.832 nan 8.300 nan 0.000 0.454 610 K N 0.924 121.480 120.400 0.260 0.000 2.556 610 K HA 0.829 5.139 4.320 -0.018 0.000 0.274 610 K C -2.486 174.345 176.600 0.386 0.000 0.966 610 K CA -1.034 55.381 56.287 0.214 0.000 0.865 610 K CB 2.623 35.204 32.500 0.135 0.000 1.444 610 K HN 0.739 nan 8.250 nan 0.000 0.433 611 L N 1.530 122.981 121.223 0.380 0.000 2.385 611 L HA 0.572 4.902 4.340 -0.018 0.000 0.273 611 L C -0.614 176.522 176.870 0.443 0.000 0.990 611 L CA -0.563 54.542 54.840 0.442 0.000 0.821 611 L CB 2.066 44.404 42.059 0.466 0.000 1.279 611 L HN 0.581 nan 8.230 nan 0.000 0.412 612 R N 3.197 123.884 120.500 0.312 0.000 2.637 612 R HA 0.565 4.894 4.340 -0.018 0.000 0.291 612 R C -2.556 173.511 176.300 -0.388 0.000 0.963 612 R CA -1.888 54.255 56.100 0.071 0.000 0.901 612 R CB 1.640 31.990 30.300 0.083 0.000 1.160 612 R HN 0.316 nan 8.270 nan 0.000 0.457 613 P HA -0.032 nan 4.420 nan 0.000 0.269 613 P C -0.785 176.298 177.300 -0.362 0.000 1.209 613 P CA 0.122 62.558 63.100 -1.107 0.000 0.776 613 P CB 0.833 32.198 31.700 -0.557 0.000 0.876 614 E N 1.715 121.775 120.200 -0.233 0.000 2.675 614 E HA 0.437 4.777 4.350 -0.018 0.000 0.236 614 E C 0.665 177.269 176.600 0.006 0.000 1.059 614 E CA -0.390 55.978 56.400 -0.053 0.000 0.775 614 E CB -0.561 29.130 29.700 -0.016 0.000 1.356 614 E HN 0.682 nan 8.360 nan 0.000 0.403 615 G N 3.430 112.244 108.800 0.023 0.000 2.160 615 G HA2 -0.365 3.584 3.960 -0.018 0.000 0.251 615 G HA3 -0.365 3.584 3.960 -0.018 0.000 0.251 615 G C 0.530 175.442 174.900 0.020 0.000 1.008 615 G CA 0.432 45.548 45.100 0.028 0.000 0.724 615 G HN 0.543 nan 8.290 nan 0.000 0.514 616 F N 0.076 119.918 119.950 -0.181 0.000 2.187 616 F HA 0.460 4.977 4.527 -0.017 0.000 0.295 616 F C 1.284 176.814 175.800 -0.451 0.000 1.091 616 F CA 0.584 58.380 58.000 -0.340 0.000 1.308 616 F CB 0.044 38.739 39.000 -0.509 0.000 1.030 616 F HN 0.121 nan 8.300 nan 0.000 0.487 617 F N 0.318 120.284 119.950 0.028 0.000 2.408 617 F HA 0.233 4.749 4.527 -0.018 0.000 0.325 617 F C 1.345 177.106 175.800 -0.065 0.000 1.082 617 F CA -0.830 57.133 58.000 -0.061 0.000 1.032 617 F CB 0.401 39.378 39.000 -0.038 0.000 1.259 617 F HN -0.284 nan 8.300 nan 0.000 0.503 618 D N 0.257 120.742 120.400 0.142 0.000 2.349 618 D HA 0.057 4.687 4.640 -0.018 0.000 0.224 618 D C 0.331 176.664 176.300 0.055 0.000 1.029 618 D CA 0.615 54.650 54.000 0.058 0.000 0.879 618 D CB 0.224 41.041 40.800 0.028 0.000 0.906 618 D HN 0.529 nan 8.370 nan 0.000 0.528 619 R N -2.226 118.321 120.500 0.079 0.000 2.832 619 R HA 0.200 4.529 4.340 -0.018 0.000 0.283 619 R C -0.760 175.540 176.300 -0.000 0.000 0.998 619 R CA -0.757 55.361 56.100 0.029 0.000 0.843 619 R CB 0.342 30.645 30.300 0.005 0.000 1.332 619 R HN -0.168 nan 8.270 nan 0.000 0.490 620 S N 0.963 116.640 115.700 -0.038 0.000 2.563 620 S HA 0.102 4.562 4.470 -0.018 0.000 0.294 620 S C -1.305 173.190 174.600 -0.175 0.000 1.279 620 S CA -0.723 57.422 58.200 -0.092 0.000 1.069 620 S CB 0.452 63.618 63.200 -0.056 0.000 0.828 620 S HN 0.521 nan 8.310 nan 0.000 0.497 621 P HA 0.127 nan 4.420 nan 0.000 0.257 621 P C 0.428 177.616 177.300 -0.187 0.000 1.281 621 P CA 0.158 62.975 63.100 -0.471 0.000 0.826 621 P CB -0.177 30.746 31.700 -1.295 0.000 1.237 622 V N -3.932 115.923 119.914 -0.098 0.000 2.988 622 V HA 0.255 4.364 4.120 -0.018 0.000 0.356 622 V C 1.433 177.548 176.094 0.035 0.000 1.380 622 V CA -0.128 62.166 62.300 -0.009 0.000 1.184 622 V CB -0.702 31.140 31.823 0.031 0.000 1.204 622 V HN -0.133 nan 8.190 nan 0.000 0.530 623 L N 1.068 122.304 121.223 0.021 0.000 2.395 623 L HA 0.060 4.390 4.340 -0.018 0.000 0.218 623 L C 2.058 178.969 176.870 0.067 0.000 1.130 623 L CA 1.345 56.221 54.840 0.060 0.000 0.826 623 L CB -0.233 41.839 42.059 0.021 0.000 0.941 623 L HN 0.564 nan 8.230 nan 0.000 0.451 624 D N -0.478 119.942 120.400 0.033 0.000 2.328 624 D HA -0.003 4.627 4.640 -0.018 0.000 0.221 624 D C 0.552 176.859 176.300 0.013 0.000 1.072 624 D CA 0.020 54.032 54.000 0.021 0.000 0.850 624 D CB -0.078 40.723 40.800 0.002 0.000 0.922 624 D HN 0.008 nan 8.370 nan 0.000 0.516 625 V N 3.260 123.188 119.914 0.024 0.000 2.488 625 V HA 0.203 4.313 4.120 -0.018 0.000 0.277 625 V C -1.631 174.461 176.094 -0.003 0.000 1.046 625 V CA -1.145 61.159 62.300 0.006 0.000 0.986 625 V CB 1.089 32.923 31.823 0.018 0.000 0.989 625 V HN 0.164 nan 8.190 nan 0.000 0.475 626 P HA 0.218 nan 4.420 nan 0.000 0.274 626 P C 0.349 177.614 177.300 -0.058 0.000 1.246 626 P CA -0.342 62.741 63.100 -0.028 0.000 0.795 626 P CB 1.391 33.080 31.700 -0.019 0.000 1.006 627 A N 1.430 124.206 122.820 -0.073 0.000 2.014 627 A HA -0.069 4.240 4.320 -0.018 0.000 0.218 627 A C 0.778 178.325 177.584 -0.061 0.000 1.163 627 A CA 0.782 52.758 52.037 -0.101 0.000 0.652 627 A CB -0.964 17.978 19.000 -0.097 0.000 0.808 627 A HN 0.728 nan 8.150 nan 0.000 0.449 628 N N 0.000 118.678 118.700 -0.037 0.000 1.763 628 N HA 0.000 4.729 4.740 -0.018 0.000 0.220 628 N CA 0.000 53.038 53.050 -0.020 0.000 0.885 628 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667