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 1wmo_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 0.000 177.588 177.584 0.006 0.000 1.274 9 A CA 0.000 52.042 52.037 0.008 0.000 0.836 9 A CB 0.000 19.011 19.000 0.018 0.000 0.831 10 S N 1.803 117.517 115.700 0.024 0.000 2.549 10 S HA 0.434 4.894 4.470 -0.017 0.000 0.279 10 S C -1.270 173.330 174.600 0.001 0.000 1.321 10 S CA -0.492 57.737 58.200 0.049 0.000 1.054 10 S CB 0.893 64.158 63.200 0.108 0.000 0.899 10 S HN 0.420 nan 8.310 nan 0.000 0.497 11 P HA 0.041 nan 4.420 nan 0.000 0.242 11 P C 0.257 177.268 177.300 -0.482 0.000 1.197 11 P CA 0.697 63.625 63.100 -0.286 0.000 0.765 11 P CB -0.117 31.347 31.700 -0.394 0.000 0.936 12 F N 0.379 120.255 119.950 -0.123 0.000 2.664 12 F HA 0.210 4.727 4.527 -0.017 0.000 0.303 12 F C 1.610 177.339 175.800 -0.119 0.000 1.092 12 F CA -0.742 57.136 58.000 -0.204 0.000 1.305 12 F CB -0.115 38.758 39.000 -0.211 0.000 1.054 12 F HN -0.173 nan 8.300 nan 0.000 0.565 13 R N 1.180 121.712 120.500 0.054 0.000 2.694 13 R HA 0.209 4.539 4.340 -0.017 0.000 0.268 13 R C -0.256 176.065 176.300 0.034 0.000 1.061 13 R CA -0.377 55.759 56.100 0.060 0.000 1.133 13 R CB 0.445 30.773 30.300 0.046 0.000 1.020 13 R HN 0.166 nan 8.270 nan 0.000 0.475 14 L N 1.943 123.201 121.223 0.057 0.000 2.461 14 L HA 0.156 4.486 4.340 -0.017 0.000 0.272 14 L C 0.742 177.650 176.870 0.064 0.000 1.197 14 L CA -0.162 54.714 54.840 0.060 0.000 0.836 14 L CB 0.601 42.698 42.059 0.063 0.000 1.105 14 L HN 0.847 nan 8.230 nan 0.000 0.477 15 A N 2.345 125.218 122.820 0.088 0.000 2.520 15 A HA 0.325 4.635 4.320 -0.017 0.000 0.245 15 A C 0.408 178.065 177.584 0.121 0.000 1.072 15 A CA -0.133 52.011 52.037 0.178 0.000 0.761 15 A CB -0.031 19.143 19.000 0.290 0.000 1.004 15 A HN 0.755 nan 8.150 nan 0.000 0.499 16 S N 1.709 117.474 115.700 0.109 0.000 2.687 16 S HA 0.622 5.082 4.470 -0.017 0.000 0.283 16 S C 1.242 175.857 174.600 0.025 0.000 1.170 16 S CA -0.221 58.010 58.200 0.052 0.000 1.008 16 S CB 1.498 64.721 63.200 0.039 0.000 1.026 16 S HN 1.561 nan 8.310 nan 0.000 0.541 17 A N 1.577 124.400 122.820 0.006 0.000 1.908 17 A HA 0.093 4.403 4.320 -0.017 0.000 0.218 17 A C 2.168 179.732 177.584 -0.034 0.000 1.181 17 A CA 1.896 53.925 52.037 -0.013 0.000 0.627 17 A CB -1.862 17.133 19.000 -0.009 0.000 0.818 17 A HN 1.190 nan 8.150 nan 0.000 0.445 18 G N -0.671 108.113 108.800 -0.026 0.000 2.442 18 G HA2 -0.222 3.728 3.960 -0.017 0.000 0.219 18 G HA3 -0.222 3.728 3.960 -0.017 0.000 0.219 18 G C 1.429 176.284 174.900 -0.076 0.000 1.141 18 G CA 1.008 46.085 45.100 -0.040 0.000 0.763 18 G HN 0.672 nan 8.290 nan 0.000 0.554 19 E N -0.136 120.016 120.200 -0.079 0.000 2.106 19 E HA -0.045 4.295 4.350 -0.017 0.000 0.192 19 E C 2.497 178.863 176.600 -0.390 0.000 0.984 19 E CA 0.518 56.813 56.400 -0.176 0.000 0.806 19 E CB -0.106 29.570 29.700 -0.039 0.000 0.750 19 E HN 0.502 nan 8.360 nan 0.000 0.458 20 I N 0.658 121.054 120.570 -0.291 0.000 2.252 20 I HA -0.228 3.931 4.170 -0.017 0.000 0.245 20 I C 2.375 178.364 176.117 -0.214 0.000 1.102 20 I CA 0.712 61.828 61.300 -0.307 0.000 1.385 20 I CB -0.126 37.782 38.000 -0.154 0.000 1.064 20 I HN -0.022 nan 8.210 nan 0.000 0.414 21 S N 0.221 115.840 115.700 -0.136 0.000 2.382 21 S HA -0.171 4.288 4.470 -0.017 0.000 0.228 21 S C 1.940 176.476 174.600 -0.107 0.000 1.027 21 S CA 1.160 59.304 58.200 -0.092 0.000 0.991 21 S CB -0.208 62.956 63.200 -0.060 0.000 0.823 21 S HN 0.377 nan 8.310 nan 0.000 0.469 22 E N 0.923 121.040 120.200 -0.137 0.000 2.072 22 E HA -0.053 4.287 4.350 -0.017 0.000 0.191 22 E C 2.254 178.765 176.600 -0.148 0.000 0.985 22 E CA 0.627 56.952 56.400 -0.125 0.000 0.801 22 E CB -0.526 29.102 29.700 -0.120 0.000 0.750 22 E HN 0.319 nan 8.360 nan 0.000 0.452 23 V N 1.406 121.173 119.914 -0.245 0.000 2.332 23 V HA -0.284 3.826 4.120 -0.017 0.000 0.248 23 V C 2.665 178.684 176.094 -0.125 0.000 1.055 23 V CA 2.110 64.271 62.300 -0.232 0.000 1.038 23 V CB -0.536 31.054 31.823 -0.389 0.000 0.651 23 V HN 0.319 nan 8.190 nan 0.000 0.450 24 Q N 0.146 119.878 119.800 -0.112 0.000 2.030 24 Q HA -0.197 4.133 4.340 -0.017 0.000 0.204 24 Q C 2.281 178.258 176.000 -0.037 0.000 0.986 24 Q CA 2.263 58.033 55.803 -0.054 0.000 0.843 24 Q CB -0.564 28.151 28.738 -0.038 0.000 0.904 24 Q HN 0.637 nan 8.270 nan 0.000 0.420 25 G N 0.971 109.743 108.800 -0.047 0.000 2.440 25 G HA2 -0.242 3.708 3.960 -0.017 0.000 0.218 25 G HA3 -0.242 3.708 3.960 -0.017 0.000 0.218 25 G C 1.415 176.298 174.900 -0.028 0.000 1.154 25 G CA 0.981 46.061 45.100 -0.034 0.000 0.767 25 G HN 0.391 nan 8.290 nan 0.000 0.552 26 I N 0.249 120.797 120.570 -0.037 0.000 2.252 26 I HA -0.107 4.052 4.170 -0.017 0.000 0.245 26 I C 2.699 178.808 176.117 -0.013 0.000 1.102 26 I CA 0.608 61.893 61.300 -0.025 0.000 1.385 26 I CB -0.168 37.814 38.000 -0.030 0.000 1.064 26 I HN 0.135 nan 8.210 nan 0.000 0.414 27 L N 0.050 121.265 121.223 -0.014 0.000 2.056 27 L HA -0.181 4.149 4.340 -0.017 0.000 0.207 27 L C 2.791 179.663 176.870 0.005 0.000 1.078 27 L CA 1.338 56.179 54.840 0.002 0.000 0.749 27 L CB -0.549 41.514 42.059 0.006 0.000 0.901 27 L HN 0.159 nan 8.230 nan 0.000 0.433 28 R N -0.567 119.934 120.500 0.000 0.000 2.080 28 R HA -0.144 4.185 4.340 -0.017 0.000 0.236 28 R C 2.285 178.585 176.300 -0.001 0.000 1.137 28 R CA 2.010 58.111 56.100 0.002 0.000 0.943 28 R CB -0.687 29.612 30.300 -0.002 0.000 0.846 28 R HN 0.296 nan 8.270 nan 0.000 0.431 29 T N 0.697 115.248 114.554 -0.005 0.000 2.759 29 T HA -0.158 4.182 4.350 -0.017 0.000 0.269 29 T C 1.679 176.378 174.700 -0.001 0.000 1.042 29 T CA 1.487 63.585 62.100 -0.005 0.000 1.140 29 T CB -0.154 68.709 68.868 -0.007 0.000 0.864 29 T HN 0.384 nan 8.240 nan 0.000 0.455 30 A N 0.212 123.033 122.820 0.001 0.000 2.238 30 A HA 0.497 4.806 4.320 -0.017 0.000 0.208 30 A C 1.887 179.474 177.584 0.005 0.000 1.177 30 A CA 0.818 52.858 52.037 0.005 0.000 0.804 30 A CB -0.745 18.260 19.000 0.009 0.000 0.823 30 A HN 0.743 nan 8.150 nan 0.000 0.482 31 G N -1.255 107.548 108.800 0.005 0.000 2.147 31 G HA2 -0.243 3.707 3.960 -0.017 0.000 0.244 31 G HA3 -0.243 3.707 3.960 -0.017 0.000 0.244 31 G C 0.539 175.444 174.900 0.008 0.000 1.005 31 G CA 0.539 45.642 45.100 0.004 0.000 0.713 31 G HN 0.511 nan 8.290 nan 0.000 0.515 32 L N -1.392 119.838 121.223 0.013 0.000 2.616 32 L HA 0.463 4.793 4.340 -0.017 0.000 0.229 32 L C 1.227 178.112 176.870 0.024 0.000 1.110 32 L CA 0.121 54.972 54.840 0.019 0.000 0.884 32 L CB 0.541 42.616 42.059 0.026 0.000 1.115 32 L HN 0.197 nan 8.230 nan 0.000 0.481 33 L N 0.557 121.794 121.223 0.024 0.000 2.839 33 L HA 0.495 4.825 4.340 -0.017 0.000 0.259 33 L C 0.718 177.609 176.870 0.035 0.000 1.369 33 L CA -0.220 54.641 54.840 0.036 0.000 0.845 33 L CB 0.323 42.405 42.059 0.039 0.000 1.181 33 L HN -0.048 nan 8.230 nan 0.000 0.529 34 G N 0.469 109.284 108.800 0.025 0.000 2.570 34 G HA2 0.260 4.210 3.960 -0.017 0.000 0.276 34 G HA3 0.260 4.210 3.960 -0.017 0.000 0.276 34 G C -1.636 173.284 174.900 0.034 0.000 1.346 34 G CA -0.613 44.499 45.100 0.019 0.000 1.034 34 G HN 0.365 nan 8.290 nan 0.000 0.512 35 P HA -0.007 nan 4.420 nan 0.000 0.222 35 P C 1.297 178.630 177.300 0.056 0.000 1.147 35 P CA 0.859 63.973 63.100 0.024 0.000 0.790 35 P CB 0.311 32.008 31.700 -0.005 0.000 0.780 36 E N -0.821 119.399 120.200 0.034 0.000 2.479 36 E HA 0.052 4.392 4.350 -0.017 0.000 0.193 36 E C 0.325 176.929 176.600 0.007 0.000 1.049 36 E CA 0.518 56.929 56.400 0.018 0.000 0.870 36 E CB 0.040 29.729 29.700 -0.019 0.000 0.944 36 E HN 0.311 nan 8.360 nan 0.000 0.492 37 K N 1.496 121.922 120.400 0.044 0.000 2.118 37 K HA 0.357 4.667 4.320 -0.017 0.000 0.267 37 K C 0.397 177.051 176.600 0.089 0.000 0.991 37 K CA -0.458 55.852 56.287 0.037 0.000 0.916 37 K CB 1.473 33.999 32.500 0.044 0.000 1.041 37 K HN -0.167 nan 8.250 nan 0.000 0.455 38 R N 1.682 122.217 120.500 0.059 0.000 2.673 38 R HA 0.447 4.777 4.340 -0.017 0.000 0.281 38 R C -0.179 176.148 176.300 0.046 0.000 0.991 38 R CA -0.749 55.361 56.100 0.018 0.000 0.896 38 R CB 1.288 31.618 30.300 0.049 0.000 1.201 38 R HN 0.576 nan 8.270 nan 0.000 0.457 39 I N 2.336 122.894 120.570 -0.020 0.000 2.291 39 I HA 0.113 4.272 4.170 -0.017 0.000 0.292 39 I C 1.310 177.442 176.117 0.025 0.000 1.064 39 I CA 0.033 61.343 61.300 0.018 0.000 1.269 39 I CB 1.529 39.514 38.000 -0.025 0.000 1.418 39 I HN 0.737 nan 8.210 nan 0.000 0.485 40 A N 6.711 129.605 122.820 0.124 0.000 2.021 40 A HA -0.028 4.281 4.320 -0.017 0.000 0.216 40 A C 0.369 178.072 177.584 0.198 0.000 1.163 40 A CA 1.000 53.124 52.037 0.146 0.000 0.676 40 A CB 0.144 19.266 19.000 0.204 0.000 0.818 40 A HN 0.674 nan 8.150 nan 0.000 0.453 41 Y N -1.919 118.401 120.300 0.034 0.000 2.436 41 Y HA 0.565 5.105 4.550 -0.017 0.000 0.327 41 Y C -1.754 174.033 175.900 -0.188 0.000 1.138 41 Y CA -1.120 56.896 58.100 -0.140 0.000 1.042 41 Y CB 1.247 39.486 38.460 -0.369 0.000 1.302 41 Y HN 0.126 nan 8.280 nan 0.000 0.439 42 L N 5.859 126.438 121.223 -1.074 0.000 2.476 42 L HA 0.975 5.305 4.340 -0.017 0.000 0.269 42 L C -1.137 175.238 176.870 -0.824 0.000 0.965 42 L CA -0.262 54.144 54.840 -0.725 0.000 0.845 42 L CB 1.848 43.745 42.059 -0.271 0.000 1.259 42 L HN 0.919 nan 8.230 nan 0.000 0.403 43 G N 3.027 111.492 108.800 -0.558 0.000 2.718 43 G HA2 0.478 4.427 3.960 -0.017 0.000 0.295 43 G HA3 0.478 4.427 3.960 -0.017 0.000 0.295 43 G C -1.896 172.862 174.900 -0.236 0.000 1.421 43 G CA -0.573 44.357 45.100 -0.282 0.000 0.902 43 G HN 0.457 nan 8.290 nan 0.000 0.501 44 V N 1.888 121.497 119.914 -0.508 0.000 2.686 44 V HA 0.534 4.644 4.120 -0.017 0.000 0.295 44 V C 0.253 176.090 176.094 -0.429 0.000 1.055 44 V CA -0.469 61.256 62.300 -0.958 0.000 1.050 44 V CB 0.752 31.916 31.823 -1.100 0.000 0.984 44 V HN 0.557 nan 8.190 nan 0.000 0.482 45 L N 5.273 126.274 121.223 -0.370 0.000 2.375 45 L HA 0.463 4.793 4.340 -0.017 0.000 0.271 45 L C 0.041 176.774 176.870 -0.229 0.000 1.107 45 L CA -0.750 53.971 54.840 -0.199 0.000 0.806 45 L CB 0.924 42.906 42.059 -0.129 0.000 1.146 45 L HN 0.579 nan 8.230 nan 0.000 0.447 46 D N 1.863 122.172 120.400 -0.151 0.000 2.339 46 D HA 0.234 4.864 4.640 -0.017 0.000 0.245 46 D C -2.026 174.145 176.300 -0.214 0.000 1.115 46 D CA -0.948 52.937 54.000 -0.192 0.000 0.917 46 D CB 0.496 41.303 40.800 0.012 0.000 1.192 46 D HN 0.242 nan 8.370 nan 0.000 0.428 47 P HA 0.118 nan 4.420 nan 0.000 0.267 47 P C -0.685 176.556 177.300 -0.098 0.000 1.200 47 P CA -0.054 62.896 63.100 -0.250 0.000 0.772 47 P CB 0.464 31.952 31.700 -0.354 0.000 0.855 48 A N 2.742 125.521 122.820 -0.068 0.000 2.406 48 A HA 0.202 4.512 4.320 -0.017 0.000 0.243 48 A C 0.475 178.043 177.584 -0.026 0.000 1.082 48 A CA -0.044 51.978 52.037 -0.026 0.000 0.786 48 A CB -0.042 18.944 19.000 -0.022 0.000 1.029 48 A HN 0.424 nan 8.150 nan 0.000 0.495 49 R N 0.017 120.496 120.500 -0.036 0.000 2.404 49 R HA 0.469 4.799 4.340 -0.017 0.000 0.315 49 R C 0.515 176.786 176.300 -0.048 0.000 1.032 49 R CA 1.397 57.433 56.100 -0.106 0.000 0.992 49 R CB -0.415 29.778 30.300 -0.178 0.000 0.959 49 R HN 1.336 nan 8.270 nan 0.000 0.428 50 G N 0.573 109.366 108.800 -0.012 0.000 2.320 50 G HA2 0.469 4.419 3.960 -0.017 0.000 0.296 50 G HA3 0.469 4.419 3.960 -0.017 0.000 0.296 50 G C -1.164 173.767 174.900 0.051 0.000 1.306 50 G CA -0.132 44.978 45.100 0.016 0.000 0.836 50 G HN 0.623 nan 8.290 nan 0.000 0.517 51 A N -0.934 121.912 122.820 0.042 0.000 1.949 51 A HA 0.742 5.052 4.320 -0.017 0.000 0.200 51 A C 1.669 179.272 177.584 0.032 0.000 2.254 51 A CA 1.149 53.214 52.037 0.047 0.000 1.206 51 A CB -0.506 18.520 19.000 0.044 0.000 1.110 51 A HN 2.201 nan 8.150 nan 0.000 0.628 52 G N 2.164 110.977 108.800 0.023 0.000 2.526 52 G HA2 0.396 4.345 3.960 -0.017 0.000 0.293 52 G HA3 0.396 4.345 3.960 -0.017 0.000 0.293 52 G C 0.226 175.131 174.900 0.009 0.000 0.882 52 G CA 0.645 45.754 45.100 0.015 0.000 1.656 52 G HN 0.804 nan 8.290 nan 0.000 0.474 53 S N 1.286 116.990 115.700 0.008 0.000 2.499 53 S HA 0.369 4.829 4.470 -0.017 0.000 0.279 53 S C -0.027 174.571 174.600 -0.004 0.000 1.219 53 S CA -0.883 57.316 58.200 -0.002 0.000 1.062 53 S CB 2.292 65.487 63.200 -0.008 0.000 0.978 53 S HN 0.442 nan 8.310 nan 0.000 0.489 54 E N 3.021 123.217 120.200 -0.007 0.000 1.814 54 E HA 0.512 4.852 4.350 -0.017 0.000 0.264 54 E C 0.589 177.183 176.600 -0.010 0.000 1.179 54 E CA 0.628 57.024 56.400 -0.006 0.000 0.972 54 E CB -0.780 28.917 29.700 -0.005 0.000 1.077 54 E HN 1.137 nan 8.360 nan 0.000 0.417 55 A N 3.440 126.254 122.820 -0.011 0.000 6.647 55 A HA -0.232 4.078 4.320 -0.017 0.000 0.236 55 A C -0.009 177.560 177.584 -0.024 0.000 2.220 55 A CA 0.733 52.762 52.037 -0.014 0.000 0.695 55 A CB -1.066 17.928 19.000 -0.010 0.000 0.942 55 A HN 0.760 nan 8.150 nan 0.000 0.371 56 E N 0.229 120.413 120.200 -0.026 0.000 2.301 56 E HA 0.573 4.912 4.350 -0.017 0.000 0.275 56 E C -0.547 176.033 176.600 -0.034 0.000 1.030 56 E CA 0.129 56.505 56.400 -0.040 0.000 0.852 56 E CB 1.275 30.952 29.700 -0.038 0.000 1.060 56 E HN 0.624 nan 8.360 nan 0.000 0.401 57 D N 2.375 122.745 120.400 -0.049 0.000 2.429 57 D HA 0.121 4.751 4.640 -0.017 0.000 0.255 57 D C -1.066 175.204 176.300 -0.050 0.000 1.257 57 D CA -0.601 53.379 54.000 -0.034 0.000 0.890 57 D CB 0.423 41.203 40.800 -0.032 0.000 1.267 57 D HN 0.270 nan 8.370 nan 0.000 0.521 58 R N 2.791 123.278 120.500 -0.022 0.000 2.288 58 R HA 0.355 4.685 4.340 -0.017 0.000 0.330 58 R C 0.263 176.599 176.300 0.060 0.000 1.069 58 R CA -0.115 55.973 56.100 -0.020 0.000 0.941 58 R CB 0.587 30.922 30.300 0.059 0.000 0.998 58 R HN 0.337 nan 8.270 nan 0.000 0.452 59 R N 2.358 122.838 120.500 -0.035 0.000 2.664 59 R HA 0.488 4.818 4.340 -0.017 0.000 0.286 59 R C -0.646 175.631 176.300 -0.037 0.000 0.967 59 R CA -0.616 55.510 56.100 0.044 0.000 0.933 59 R CB 1.365 31.661 30.300 -0.006 0.000 1.146 59 R HN 0.250 nan 8.270 nan 0.000 0.468 60 F N 0.654 120.585 119.950 -0.032 0.000 2.540 60 F HA 0.443 4.960 4.527 -0.017 0.000 0.317 60 F C 0.324 176.115 175.800 -0.015 0.000 1.104 60 F CA -0.778 57.198 58.000 -0.040 0.000 0.913 60 F CB 1.915 40.880 39.000 -0.058 0.000 1.170 60 F HN 0.194 nan 8.300 nan 0.000 0.450 61 R N 2.212 122.796 120.500 0.140 0.000 2.407 61 R HA 0.862 5.192 4.340 -0.017 0.000 0.303 61 R C -1.789 174.572 176.300 0.101 0.000 0.981 61 R CA -0.515 55.671 56.100 0.143 0.000 0.905 61 R CB 1.436 31.826 30.300 0.151 0.000 1.099 61 R HN 0.551 nan 8.270 nan 0.000 0.459 62 V N 4.539 124.543 119.914 0.151 0.000 2.841 62 V HA 0.487 4.597 4.120 -0.017 0.000 0.310 62 V C -1.183 175.150 176.094 0.399 0.000 1.090 62 V CA -0.826 61.553 62.300 0.131 0.000 0.930 62 V CB 1.975 33.857 31.823 0.099 0.000 1.014 62 V HN 0.569 nan 8.190 nan 0.000 0.425 63 F N 4.071 124.178 119.950 0.262 0.000 2.402 63 F HA 0.627 5.144 4.527 -0.017 0.000 0.355 63 F C 0.095 175.985 175.800 0.151 0.000 1.123 63 F CA -1.711 56.432 58.000 0.238 0.000 1.021 63 F CB 1.308 40.492 39.000 0.308 0.000 1.160 63 F HN 0.213 nan 8.300 nan 0.000 0.451 64 I N 3.988 124.732 120.570 0.290 0.000 2.339 64 I HA 0.216 4.375 4.170 -0.017 0.000 0.290 64 I C -0.235 175.974 176.117 0.155 0.000 0.994 64 I CA -0.708 60.699 61.300 0.178 0.000 1.191 64 I CB 1.332 39.402 38.000 0.116 0.000 1.343 64 I HN 0.512 nan 8.210 nan 0.000 0.458 65 H N 5.865 124.964 119.070 0.048 0.000 2.483 65 H HA 0.349 4.894 4.556 -0.017 0.000 0.338 65 H C -1.147 174.187 175.328 0.010 0.000 1.152 65 H CA -0.371 55.685 56.048 0.013 0.000 1.264 65 H CB 1.440 31.206 29.762 0.007 0.000 1.510 65 H HN 0.499 nan 8.280 nan 0.000 0.530 66 D N 4.088 124.068 120.400 -0.700 0.000 2.471 66 D HA 0.080 4.710 4.640 -0.017 0.000 0.245 66 D C 1.120 177.001 176.300 -0.698 0.000 1.116 66 D CA -0.446 53.257 54.000 -0.495 0.000 0.853 66 D CB 1.417 42.075 40.800 -0.235 0.000 1.123 66 D HN 0.498 nan 8.370 nan 0.000 0.540 67 V N 2.182 121.838 119.914 -0.429 0.000 3.078 67 V HA -0.109 4.000 4.120 -0.017 0.000 0.265 67 V C 1.600 177.637 176.094 -0.095 0.000 1.122 67 V CA 1.831 64.017 62.300 -0.190 0.000 1.141 67 V CB -0.796 31.018 31.823 -0.014 0.000 0.735 67 V HN 0.495 nan 8.190 nan 0.000 0.498 68 S N -0.452 115.184 115.700 -0.106 0.000 2.575 68 S HA 0.466 4.926 4.470 -0.017 0.000 0.215 68 S C 1.654 176.222 174.600 -0.053 0.000 0.966 68 S CA 0.655 58.821 58.200 -0.056 0.000 0.911 68 S CB 0.285 63.459 63.200 -0.043 0.000 0.780 68 S HN 1.723 nan 8.310 nan 0.000 0.514 69 G N 0.521 109.274 108.800 -0.078 0.000 2.179 69 G HA2 -0.065 3.885 3.960 -0.017 0.000 0.220 69 G HA3 -0.065 3.885 3.960 -0.017 0.000 0.220 69 G C 0.315 175.183 174.900 -0.055 0.000 0.990 69 G CA -0.161 44.910 45.100 -0.047 0.000 0.646 69 G HN 1.197 nan 8.290 nan 0.000 0.517 70 A N 0.169 122.945 122.820 -0.074 0.000 2.406 70 A HA 0.698 5.007 4.320 -0.017 0.000 0.243 70 A C 0.845 178.388 177.584 -0.068 0.000 1.082 70 A CA 0.257 52.256 52.037 -0.063 0.000 0.786 70 A CB 0.205 19.168 19.000 -0.062 0.000 1.029 70 A HN 0.576 nan 8.150 nan 0.000 0.495 71 R N 1.411 121.876 120.500 -0.058 0.000 2.570 71 R HA 0.229 4.559 4.340 -0.017 0.000 0.277 71 R C -2.103 174.158 176.300 -0.066 0.000 1.039 71 R CA -0.787 55.274 56.100 -0.064 0.000 1.065 71 R CB 0.101 30.361 30.300 -0.066 0.000 0.964 71 R HN 0.592 nan 8.270 nan 0.000 0.428 72 P HA 0.022 nan 4.420 nan 0.000 0.275 72 P C -1.094 176.166 177.300 -0.067 0.000 1.266 72 P CA -0.208 62.861 63.100 -0.052 0.000 0.793 72 P CB 0.863 32.533 31.700 -0.049 0.000 1.074 73 Q N -0.509 119.281 119.800 -0.016 0.000 2.389 73 Q HA 0.358 4.688 4.340 -0.017 0.000 0.277 73 Q C -0.812 175.242 176.000 0.089 0.000 1.082 73 Q CA -0.668 55.140 55.803 0.009 0.000 0.810 73 Q CB 2.739 31.497 28.738 0.033 0.000 1.374 73 Q HN 0.493 nan 8.270 nan 0.000 0.422 74 E N 1.697 121.962 120.200 0.108 0.000 2.151 74 E HA 0.501 4.841 4.350 -0.017 0.000 0.275 74 E C -1.450 175.280 176.600 0.217 0.000 0.936 74 E CA -0.542 56.019 56.400 0.268 0.000 0.777 74 E CB 1.376 31.244 29.700 0.280 0.000 1.108 74 E HN 0.308 nan 8.360 nan 0.000 0.401 75 V N 3.374 123.436 119.914 0.247 0.000 2.760 75 V HA 0.374 4.484 4.120 -0.017 0.000 0.309 75 V C -0.408 175.782 176.094 0.160 0.000 1.077 75 V CA -0.810 61.588 62.300 0.163 0.000 0.910 75 V CB 2.279 34.176 31.823 0.123 0.000 1.008 75 V HN 0.719 nan 8.190 nan 0.000 0.424 76 T N 3.867 118.493 114.554 0.121 0.000 2.792 76 T HA 0.662 5.002 4.350 -0.017 0.000 0.280 76 T C -0.426 174.327 174.700 0.088 0.000 0.990 76 T CA -0.412 61.754 62.100 0.109 0.000 0.960 76 T CB 1.534 70.454 68.868 0.087 0.000 0.939 76 T HN 0.827 nan 8.240 nan 0.000 0.439 77 V N 0.896 120.871 119.914 0.101 0.000 2.960 77 V HA 0.896 5.006 4.120 -0.017 0.000 0.315 77 V C -0.114 176.038 176.094 0.096 0.000 1.087 77 V CA -0.909 61.437 62.300 0.078 0.000 0.982 77 V CB 2.154 34.008 31.823 0.051 0.000 1.039 77 V HN 0.759 nan 8.190 nan 0.000 0.437 78 S N 2.481 118.220 115.700 0.065 0.000 2.434 78 S HA 0.308 4.768 4.470 -0.017 0.000 0.318 78 S C 0.608 175.243 174.600 0.058 0.000 1.062 78 S CA 0.109 58.348 58.200 0.066 0.000 1.116 78 S CB 0.875 64.097 63.200 0.036 0.000 0.977 78 S HN 1.243 nan 8.310 nan 0.000 0.480 79 V N 5.404 125.374 119.914 0.094 0.000 2.626 79 V HA -0.092 4.017 4.120 -0.017 0.000 0.252 79 V C 2.058 178.167 176.094 0.026 0.000 1.067 79 V CA 2.714 65.033 62.300 0.032 0.000 1.081 79 V CB -0.799 31.029 31.823 0.009 0.000 0.686 79 V HN 0.986 nan 8.190 nan 0.000 0.468 80 T N 0.826 115.406 114.554 0.042 0.000 2.737 80 T HA -0.107 4.233 4.350 -0.017 0.000 0.265 80 T C 1.569 176.276 174.700 0.010 0.000 1.038 80 T CA 1.703 63.816 62.100 0.022 0.000 1.144 80 T CB -0.320 68.558 68.868 0.017 0.000 0.866 80 T HN 0.504 nan 8.240 nan 0.000 0.434 81 N N 0.468 119.175 118.700 0.012 0.000 2.353 81 N HA 0.152 4.881 4.740 -0.017 0.000 0.185 81 N C 1.346 176.858 175.510 0.004 0.000 1.098 81 N CA 0.646 53.700 53.050 0.007 0.000 0.872 81 N CB 0.203 38.694 38.487 0.007 0.000 0.970 81 N HN 0.544 nan 8.380 nan 0.000 0.467 82 G N 1.402 110.203 108.800 0.003 0.000 2.221 82 G HA2 -0.275 3.675 3.960 -0.017 0.000 0.265 82 G HA3 -0.275 3.675 3.960 -0.017 0.000 0.265 82 G C 0.187 175.088 174.900 0.000 0.000 1.041 82 G CA 1.029 46.127 45.100 -0.004 0.000 0.807 82 G HN 0.519 nan 8.290 nan 0.000 0.502 83 T N -3.694 110.864 114.554 0.008 0.000 2.930 83 T HA 0.724 5.064 4.350 -0.017 0.000 0.290 83 T C -0.369 174.342 174.700 0.019 0.000 1.052 83 T CA -0.652 61.454 62.100 0.011 0.000 1.017 83 T CB 2.862 71.737 68.868 0.012 0.000 1.137 83 T HN 0.737 nan 8.240 nan 0.000 0.511 84 V N 3.049 122.975 119.914 0.020 0.000 2.347 84 V HA 0.232 4.342 4.120 -0.017 0.000 0.280 84 V C 0.962 177.074 176.094 0.029 0.000 1.021 84 V CA -0.767 61.551 62.300 0.029 0.000 0.847 84 V CB 0.729 32.568 31.823 0.027 0.000 0.990 84 V HN 0.812 nan 8.190 nan 0.000 0.444 85 I N 3.155 123.747 120.570 0.036 0.000 2.286 85 I HA 0.001 4.161 4.170 -0.017 0.000 0.245 85 I C 1.079 177.216 176.117 0.032 0.000 1.104 85 I CA 1.213 62.532 61.300 0.031 0.000 1.397 85 I CB -0.548 37.472 38.000 0.033 0.000 1.072 85 I HN 0.782 nan 8.210 nan 0.000 0.417 86 S N -0.577 115.149 115.700 0.043 0.000 2.565 86 S HA 0.827 5.286 4.470 -0.017 0.000 0.269 86 S C -0.928 173.705 174.600 0.056 0.000 1.153 86 S CA -0.490 57.736 58.200 0.044 0.000 0.835 86 S CB 2.593 65.820 63.200 0.046 0.000 1.122 86 S HN 0.344 nan 8.310 nan 0.000 0.462 87 A N 0.812 123.662 122.820 0.049 0.000 2.485 87 A HA 0.720 5.029 4.320 -0.017 0.000 0.285 87 A C -0.698 176.910 177.584 0.040 0.000 1.045 87 A CA -0.340 51.729 52.037 0.054 0.000 0.792 87 A CB 0.905 19.931 19.000 0.043 0.000 1.307 87 A HN 2.184 nan 8.150 nan 0.000 0.406 88 V N -0.100 119.840 119.914 0.043 0.000 2.735 88 V HA 0.766 4.875 4.120 -0.017 0.000 0.310 88 V C -0.288 175.803 176.094 -0.005 0.000 1.061 88 V CA -0.728 61.583 62.300 0.018 0.000 0.913 88 V CB 1.650 33.486 31.823 0.021 0.000 1.005 88 V HN 0.938 nan 8.190 nan 0.000 0.428 89 E N 3.074 123.260 120.200 -0.024 0.000 2.313 89 E HA 0.538 4.878 4.350 -0.017 0.000 0.276 89 E C -1.141 175.406 176.600 -0.088 0.000 1.031 89 E CA -0.590 55.780 56.400 -0.050 0.000 0.857 89 E CB 1.241 30.915 29.700 -0.042 0.000 1.040 89 E HN 0.765 nan 8.360 nan 0.000 0.408 90 L N 3.527 124.664 121.223 -0.143 0.000 2.309 90 L HA 0.284 4.613 4.340 -0.017 0.000 0.282 90 L C 0.004 176.753 176.870 -0.202 0.000 1.036 90 L CA -0.708 53.995 54.840 -0.229 0.000 0.806 90 L CB 1.326 43.127 42.059 -0.430 0.000 1.220 90 L HN 0.494 nan 8.230 nan 0.000 0.429 91 D N 1.465 121.754 120.400 -0.185 0.000 2.479 91 D HA 0.055 4.685 4.640 -0.017 0.000 0.218 91 D C 1.281 177.471 176.300 -0.184 0.000 1.131 91 D CA -0.201 53.714 54.000 -0.143 0.000 0.916 91 D CB 1.279 42.020 40.800 -0.097 0.000 1.022 91 D HN 0.705 nan 8.370 nan 0.000 0.515 92 T N 0.705 115.139 114.554 -0.200 0.000 2.833 92 T HA -0.152 4.187 4.350 -0.017 0.000 0.269 92 T C 1.857 176.479 174.700 -0.131 0.000 1.054 92 T CA 1.036 63.003 62.100 -0.221 0.000 1.135 92 T CB -0.066 68.685 68.868 -0.196 0.000 0.869 92 T HN 0.250 nan 8.240 nan 0.000 0.466 93 A N 1.356 124.126 122.820 -0.083 0.000 2.019 93 A HA 0.401 4.710 4.320 -0.017 0.000 0.219 93 A C 2.660 180.234 177.584 -0.016 0.000 1.164 93 A CA 1.678 53.691 52.037 -0.040 0.000 0.644 93 A CB -1.089 17.892 19.000 -0.033 0.000 0.805 93 A HN 0.769 nan 8.150 nan 0.000 0.449 94 A N -0.741 122.056 122.820 -0.038 0.000 1.881 94 A HA 0.091 4.401 4.320 -0.017 0.000 0.210 94 A C 2.273 179.868 177.584 0.018 0.000 1.239 94 A CA 1.873 53.907 52.037 -0.004 0.000 0.629 94 A CB -0.965 18.018 19.000 -0.028 0.000 0.906 94 A HN 0.681 nan 8.150 nan 0.000 0.460 95 T N -3.286 111.187 114.554 -0.135 0.000 3.100 95 T HA 0.458 4.798 4.350 -0.017 0.000 0.253 95 T C 0.877 175.188 174.700 -0.649 0.000 1.118 95 T CA 0.895 62.805 62.100 -0.316 0.000 1.058 95 T CB -0.240 68.498 68.868 -0.217 0.000 0.953 95 T HN 1.941 nan 8.240 nan 0.000 0.515 96 G N 0.904 109.460 108.800 -0.407 0.000 2.617 96 G HA2 0.060 4.010 3.960 -0.017 0.000 0.686 96 G HA3 0.060 4.010 3.960 -0.017 0.000 0.686 96 G C -1.088 173.642 174.900 -0.284 0.000 1.214 96 G CA -1.072 43.858 45.100 -0.284 0.000 0.796 96 G HN 0.245 nan 8.290 nan 0.000 0.654 97 E N 0.283 120.390 120.200 -0.155 0.000 2.371 97 E HA 0.469 4.808 4.350 -0.017 0.000 0.257 97 E C 1.240 177.759 176.600 -0.135 0.000 1.134 97 E CA -0.474 55.828 56.400 -0.163 0.000 0.919 97 E CB 0.865 30.510 29.700 -0.092 0.000 1.025 97 E HN 0.509 nan 8.360 nan 0.000 0.438 98 L N 1.754 122.896 121.223 -0.135 0.000 2.472 98 L HA 0.191 4.521 4.340 -0.017 0.000 0.260 98 L C -1.914 174.970 176.870 0.023 0.000 1.209 98 L CA -1.732 53.099 54.840 -0.014 0.000 0.817 98 L CB -0.320 41.746 42.059 0.013 0.000 1.106 98 L HN 0.137 nan 8.230 nan 0.000 0.479 99 P HA -0.034 nan 4.420 nan 0.000 0.267 99 P C -0.595 176.719 177.300 0.022 0.000 1.201 99 P CA -0.222 62.926 63.100 0.080 0.000 0.775 99 P CB 0.391 32.185 31.700 0.157 0.000 0.854 100 V N 3.842 123.773 119.914 0.029 0.000 2.599 100 V HA -0.070 4.040 4.120 -0.017 0.000 0.300 100 V C 0.822 176.841 176.094 -0.126 0.000 1.034 100 V CA 0.435 62.704 62.300 -0.052 0.000 1.115 100 V CB -0.435 31.428 31.823 0.066 0.000 0.934 100 V HN 0.328 nan 8.190 nan 0.000 0.485 101 L N 3.725 124.798 121.223 -0.250 0.000 2.350 101 L HA 0.259 4.588 4.340 -0.017 0.000 0.275 101 L C 1.614 178.268 176.870 -0.361 0.000 1.099 101 L CA 0.000 54.711 54.840 -0.216 0.000 0.808 101 L CB 0.852 42.797 42.059 -0.189 0.000 1.149 101 L HN 0.769 nan 8.230 nan 0.000 0.442 102 E N 1.941 122.063 120.200 -0.130 0.000 2.160 102 E HA -0.252 4.087 4.350 -0.017 0.000 0.195 102 E C 1.562 178.170 176.600 0.014 0.000 0.991 102 E CA 1.684 58.106 56.400 0.036 0.000 0.810 102 E CB 0.223 30.104 29.700 0.302 0.000 0.742 102 E HN 0.783 nan 8.360 nan 0.000 0.466 103 E N 0.129 120.313 120.200 -0.027 0.000 2.268 103 E HA -0.198 4.142 4.350 -0.017 0.000 0.195 103 E C 1.399 177.996 176.600 -0.005 0.000 0.995 103 E CA 1.019 57.430 56.400 0.018 0.000 0.836 103 E CB -0.106 29.602 29.700 0.012 0.000 0.763 103 E HN 0.382 nan 8.360 nan 0.000 0.491 104 E N -0.190 119.938 120.200 -0.120 0.000 2.435 104 E HA -0.027 4.312 4.350 -0.017 0.000 0.195 104 E C 1.192 177.788 176.600 -0.007 0.000 1.029 104 E CA 0.146 56.490 56.400 -0.093 0.000 0.865 104 E CB -0.058 29.544 29.700 -0.164 0.000 0.833 104 E HN 0.231 nan 8.360 nan 0.000 0.510 105 F N 2.178 122.167 119.950 0.064 0.000 2.102 105 F HA -0.174 4.343 4.527 -0.017 0.000 0.298 105 F C 2.392 178.212 175.800 0.034 0.000 1.105 105 F CA 1.493 59.523 58.000 0.051 0.000 1.239 105 F CB -0.659 38.361 39.000 0.033 0.000 0.991 105 F HN 0.105 nan 8.300 nan 0.000 0.474 106 E N -0.207 120.131 120.200 0.231 0.000 2.268 106 E HA -0.103 4.237 4.350 -0.017 0.000 0.195 106 E C 2.047 178.695 176.600 0.080 0.000 0.995 106 E CA 1.219 57.697 56.400 0.130 0.000 0.836 106 E CB -0.738 29.028 29.700 0.109 0.000 0.763 106 E HN 0.251 nan 8.360 nan 0.000 0.491 107 V N 1.623 121.581 119.914 0.073 0.000 2.407 107 V HA -0.257 3.853 4.120 -0.017 0.000 0.248 107 V C 2.474 178.569 176.094 0.003 0.000 1.055 107 V CA 1.499 63.819 62.300 0.034 0.000 1.049 107 V CB -0.281 31.558 31.823 0.027 0.000 0.662 107 V HN 0.208 nan 8.190 nan 0.000 0.455 108 V N -0.018 119.904 119.914 0.014 0.000 2.255 108 V HA -0.342 3.767 4.120 -0.017 0.000 0.247 108 V C 2.434 178.453 176.094 -0.124 0.000 1.051 108 V CA 2.549 64.821 62.300 -0.048 0.000 1.018 108 V CB -0.653 31.171 31.823 0.001 0.000 0.641 108 V HN 0.659 nan 8.190 nan 0.000 0.445 109 E N -0.332 119.828 120.200 -0.067 0.000 2.077 109 E HA -0.270 4.070 4.350 -0.017 0.000 0.193 109 E C 2.311 178.866 176.600 -0.075 0.000 0.989 109 E CA 1.452 57.804 56.400 -0.079 0.000 0.800 109 E CB -0.078 29.624 29.700 0.003 0.000 0.746 109 E HN 0.697 nan 8.360 nan 0.000 0.452 110 Q N 0.192 119.971 119.800 -0.034 0.000 2.061 110 Q HA -0.172 4.158 4.340 -0.017 0.000 0.204 110 Q C 2.413 178.388 176.000 -0.043 0.000 0.984 110 Q CA 1.572 57.364 55.803 -0.018 0.000 0.846 110 Q CB -0.092 28.648 28.738 0.004 0.000 0.902 110 Q HN 0.360 nan 8.270 nan 0.000 0.421 111 L N 0.067 121.248 121.223 -0.071 0.000 2.093 111 L HA -0.158 4.172 4.340 -0.017 0.000 0.208 111 L C 2.231 179.022 176.870 -0.132 0.000 1.085 111 L CA 0.732 55.523 54.840 -0.082 0.000 0.755 111 L CB -0.299 41.711 42.059 -0.082 0.000 0.904 111 L HN 0.257 nan 8.230 nan 0.000 0.435 112 L N -0.307 120.759 121.223 -0.262 0.000 2.141 112 L HA -0.131 4.199 4.340 -0.017 0.000 0.209 112 L C 2.802 179.569 176.870 -0.172 0.000 1.094 112 L CA 0.805 55.369 54.840 -0.460 0.000 0.763 112 L CB -0.643 40.698 42.059 -1.196 0.000 0.908 112 L HN 0.220 nan 8.230 nan 0.000 0.437 113 A N -0.134 122.655 122.820 -0.052 0.000 2.076 113 A HA -0.191 4.118 4.320 -0.017 0.000 0.220 113 A C 2.136 179.776 177.584 0.093 0.000 1.160 113 A CA 2.132 54.224 52.037 0.091 0.000 0.653 113 A CB -0.696 18.341 19.000 0.061 0.000 0.801 113 A HN 0.519 nan 8.150 nan 0.000 0.455 114 T N -3.597 110.986 114.554 0.048 0.000 3.085 114 T HA 0.253 4.593 4.350 -0.017 0.000 0.264 114 T C -0.022 174.709 174.700 0.052 0.000 1.019 114 T CA 0.219 62.347 62.100 0.048 0.000 0.910 114 T CB -0.299 68.585 68.868 0.025 0.000 1.059 114 T HN 0.307 nan 8.240 nan 0.000 0.542 115 D N 2.060 122.501 120.400 0.068 0.000 2.312 115 D HA 0.149 4.779 4.640 -0.017 0.000 0.252 115 D C 1.447 177.819 176.300 0.120 0.000 1.150 115 D CA -0.385 53.659 54.000 0.074 0.000 0.870 115 D CB 1.181 42.017 40.800 0.059 0.000 1.153 115 D HN 0.483 nan 8.370 nan 0.000 0.457 116 E N 3.426 123.672 120.200 0.078 0.000 2.150 116 E HA -0.203 4.137 4.350 -0.017 0.000 0.193 116 E C 1.478 178.121 176.600 0.073 0.000 0.985 116 E CA 0.574 57.014 56.400 0.066 0.000 0.814 116 E CB 0.088 29.810 29.700 0.037 0.000 0.752 116 E HN 0.414 nan 8.360 nan 0.000 0.466 117 R N 0.061 120.612 120.500 0.084 0.000 2.081 117 R HA -0.080 4.249 4.340 -0.017 0.000 0.235 117 R C 2.156 178.534 176.300 0.129 0.000 1.131 117 R CA 1.721 57.868 56.100 0.078 0.000 0.960 117 R CB -0.462 29.879 30.300 0.068 0.000 0.856 117 R HN 0.441 nan 8.270 nan 0.000 0.436 118 W N 1.448 122.728 121.300 -0.034 0.000 2.379 118 W HA -0.142 4.507 4.660 -0.017 0.000 0.307 118 W C 1.523 178.029 176.519 -0.022 0.000 1.200 118 W CA 1.190 58.517 57.345 -0.030 0.000 1.297 118 W CB -0.166 29.280 29.460 -0.024 0.000 1.140 118 W HN 0.077 nan 8.180 nan 0.000 0.507 119 L N 0.820 122.133 121.223 0.149 0.000 2.079 119 L HA -0.271 4.058 4.340 -0.017 0.000 0.210 119 L C 2.627 179.465 176.870 -0.053 0.000 1.081 119 L CA 1.698 56.555 54.840 0.028 0.000 0.752 119 L CB -0.870 41.232 42.059 0.071 0.000 0.896 119 L HN -0.054 nan 8.230 nan 0.000 0.433 120 K N 0.213 120.593 120.400 -0.034 0.000 2.057 120 K HA -0.163 4.147 4.320 -0.017 0.000 0.206 120 K C 2.157 178.695 176.600 -0.103 0.000 1.050 120 K CA 1.217 57.473 56.287 -0.052 0.000 0.935 120 K CB -0.045 32.439 32.500 -0.027 0.000 0.715 120 K HN 0.266 nan 8.250 nan 0.000 0.439 121 A N 1.307 124.033 122.820 -0.156 0.000 1.902 121 A HA -0.109 4.201 4.320 -0.017 0.000 0.217 121 A C 2.078 179.496 177.584 -0.277 0.000 1.181 121 A CA 1.156 53.059 52.037 -0.222 0.000 0.623 121 A CB -0.537 18.280 19.000 -0.306 0.000 0.818 121 A HN 0.294 nan 8.150 nan 0.000 0.443 122 L N -0.918 120.094 121.223 -0.351 0.000 2.056 122 L HA -0.169 4.161 4.340 -0.017 0.000 0.207 122 L C 3.085 179.854 176.870 -0.168 0.000 1.078 122 L CA 1.038 55.696 54.840 -0.303 0.000 0.749 122 L CB -0.637 41.233 42.059 -0.315 0.000 0.901 122 L HN 0.446 nan 8.230 nan 0.000 0.433 123 A N 0.211 122.955 122.820 -0.127 0.000 1.933 123 A HA -0.133 4.176 4.320 -0.017 0.000 0.218 123 A C 2.479 180.017 177.584 -0.077 0.000 1.175 123 A CA 1.581 53.569 52.037 -0.081 0.000 0.628 123 A CB -0.564 18.401 19.000 -0.058 0.000 0.814 123 A HN 0.398 nan 8.150 nan 0.000 0.444 124 A N -0.589 122.177 122.820 -0.089 0.000 2.121 124 A HA -0.060 4.250 4.320 -0.017 0.000 0.218 124 A C 2.045 179.584 177.584 -0.075 0.000 1.154 124 A CA 1.308 53.299 52.037 -0.075 0.000 0.679 124 A CB -0.265 18.688 19.000 -0.078 0.000 0.795 124 A HN 0.542 nan 8.150 nan 0.000 0.458 125 R N -0.912 119.533 120.500 -0.091 0.000 2.397 125 R HA 0.130 4.460 4.340 -0.017 0.000 0.241 125 R C -0.286 175.972 176.300 -0.070 0.000 0.914 125 R CA 0.098 56.150 56.100 -0.080 0.000 1.071 125 R CB 0.276 30.515 30.300 -0.101 0.000 1.116 125 R HN 0.420 nan 8.270 nan 0.000 0.524 126 N N 0.920 119.580 118.700 -0.068 0.000 2.754 126 N HA -0.178 4.552 4.740 -0.017 0.000 0.248 126 N C -0.992 174.484 175.510 -0.057 0.000 1.093 126 N CA 0.952 53.969 53.050 -0.054 0.000 0.699 126 N CB -1.441 37.021 38.487 -0.041 0.000 1.016 126 N HN 0.266 nan 8.380 nan 0.000 0.552 127 L N 0.183 121.361 121.223 -0.075 0.000 2.309 127 L HA 0.359 4.689 4.340 -0.017 0.000 0.282 127 L C 0.670 177.505 176.870 -0.058 0.000 1.036 127 L CA -0.865 53.931 54.840 -0.074 0.000 0.806 127 L CB 1.341 43.339 42.059 -0.102 0.000 1.220 127 L HN -0.096 nan 8.230 nan 0.000 0.429 128 D N 1.878 122.256 120.400 -0.036 0.000 2.343 128 D HA 0.019 4.648 4.640 -0.017 0.000 0.255 128 D C 0.760 177.060 176.300 -0.000 0.000 1.187 128 D CA -0.001 53.989 54.000 -0.016 0.000 0.875 128 D CB 1.908 42.704 40.800 -0.007 0.000 1.136 128 D HN 0.282 nan 8.370 nan 0.000 0.469 129 V N 3.930 123.854 119.914 0.017 0.000 2.453 129 V HA -0.247 3.862 4.120 -0.017 0.000 0.252 129 V C 2.036 178.172 176.094 0.071 0.000 1.068 129 V CA 2.863 65.201 62.300 0.065 0.000 1.070 129 V CB -0.519 31.362 31.823 0.097 0.000 0.664 129 V HN 0.743 nan 8.190 nan 0.000 0.461 130 S N -1.444 114.283 115.700 0.045 0.000 2.555 130 S HA -0.072 4.387 4.470 -0.017 0.000 0.230 130 S C 1.660 176.279 174.600 0.031 0.000 0.978 130 S CA 1.047 59.271 58.200 0.040 0.000 0.934 130 S CB -0.319 62.899 63.200 0.030 0.000 0.766 130 S HN 0.740 nan 8.310 nan 0.000 0.533 131 K N 0.461 120.875 120.400 0.024 0.000 2.374 131 K HA 0.299 4.609 4.320 -0.017 0.000 0.202 131 K C -0.740 175.866 176.600 0.010 0.000 1.040 131 K CA -0.039 56.252 56.287 0.007 0.000 1.085 131 K CB 1.149 33.644 32.500 -0.008 0.000 0.873 131 K HN 0.207 nan 8.250 nan 0.000 0.539 132 V N 3.666 123.606 119.914 0.044 0.000 2.334 132 V HA 0.196 4.306 4.120 -0.017 0.000 0.267 132 V C 0.193 176.353 176.094 0.111 0.000 1.040 132 V CA -0.685 61.660 62.300 0.076 0.000 0.866 132 V CB 0.626 32.513 31.823 0.106 0.000 1.019 132 V HN 0.153 nan 8.190 nan 0.000 0.468 133 R N 3.302 123.846 120.500 0.074 0.000 2.490 133 R HA 0.569 4.899 4.340 -0.017 0.000 0.278 133 R C -0.727 175.658 176.300 0.141 0.000 1.069 133 R CA -0.430 55.702 56.100 0.054 0.000 1.080 133 R CB 1.705 31.969 30.300 -0.060 0.000 1.030 133 R HN 0.437 nan 8.270 nan 0.000 0.491 134 V N 1.913 121.902 119.914 0.124 0.000 2.443 134 V HA 0.338 4.448 4.120 -0.017 0.000 0.293 134 V C 0.014 176.208 176.094 0.167 0.000 1.021 134 V CA -1.164 61.247 62.300 0.184 0.000 0.848 134 V CB 1.645 33.524 31.823 0.093 0.000 0.998 134 V HN 0.851 nan 8.190 nan 0.000 0.424 135 A N 8.030 131.022 122.820 0.286 0.000 2.395 135 A HA 0.566 4.876 4.320 -0.017 0.000 0.286 135 A C -2.155 175.607 177.584 0.296 0.000 1.193 135 A CA -1.131 51.078 52.037 0.286 0.000 0.852 135 A CB -0.069 19.241 19.000 0.517 0.000 1.118 135 A HN 0.577 nan 8.150 nan 0.000 0.524 136 P HA 0.366 nan 4.420 nan 0.000 0.286 136 P C -0.928 176.576 177.300 0.340 0.000 1.321 136 P CA 0.208 63.466 63.100 0.264 0.000 0.790 136 P CB 0.587 32.476 31.700 0.315 0.000 0.897 137 L N 2.363 123.826 121.223 0.400 0.000 2.342 137 L HA 0.444 4.774 4.340 -0.017 0.000 0.271 137 L C 0.984 178.166 176.870 0.520 0.000 1.008 137 L CA -1.039 54.123 54.840 0.537 0.000 0.818 137 L CB 1.769 44.255 42.059 0.711 0.000 1.296 137 L HN 0.288 nan 8.230 nan 0.000 0.427 138 S N 0.539 116.606 115.700 0.613 0.000 2.558 138 S HA 0.188 4.648 4.470 -0.017 0.000 0.288 138 S C 0.899 175.731 174.600 0.386 0.000 1.318 138 S CA -0.045 58.393 58.200 0.396 0.000 1.056 138 S CB 1.379 64.736 63.200 0.262 0.000 0.853 138 S HN 0.749 nan 8.310 nan 0.000 0.505 139 A N 3.521 126.465 122.820 0.208 0.000 1.975 139 A HA 0.534 4.844 4.320 -0.017 0.000 0.215 139 A C 1.578 179.344 177.584 0.303 0.000 1.170 139 A CA 0.759 52.868 52.037 0.120 0.000 0.656 139 A CB -1.543 17.439 19.000 -0.029 0.000 0.821 139 A HN 2.374 nan 8.150 nan 0.000 0.449 140 G N -2.037 106.912 108.800 0.248 0.000 2.642 140 G HA2 -0.026 3.923 3.960 -0.017 0.000 0.231 140 G HA3 -0.026 3.923 3.960 -0.017 0.000 0.231 140 G C -0.457 174.415 174.900 -0.046 0.000 1.338 140 G CA -0.283 44.922 45.100 0.175 0.000 0.883 140 G HN 1.128 nan 8.290 nan 0.000 0.570 141 V N 1.006 120.654 119.914 -0.445 0.000 2.447 141 V HA 0.732 4.842 4.120 -0.017 0.000 0.292 141 V C -0.206 175.359 176.094 -0.883 0.000 1.021 141 V CA -0.345 61.695 62.300 -0.434 0.000 0.850 141 V CB 1.003 32.632 31.823 -0.323 0.000 1.005 141 V HN 0.711 nan 8.190 nan 0.000 0.426 142 F N 1.787 121.710 119.950 -0.045 0.000 3.248 142 F HA 0.446 4.963 4.527 -0.017 0.000 0.244 142 F C 1.576 177.228 175.800 -0.246 0.000 1.581 142 F CA -0.564 57.350 58.000 -0.143 0.000 0.959 142 F CB 0.353 39.255 39.000 -0.163 0.000 1.844 142 F HN 0.445 nan 8.300 nan 0.000 0.343 143 E N 0.509 120.544 120.200 -0.275 0.000 2.465 143 E HA -0.023 4.317 4.350 -0.017 0.000 0.191 143 E C -0.961 175.490 176.600 -0.249 0.000 1.053 143 E CA 0.253 56.487 56.400 -0.277 0.000 0.869 143 E CB -0.633 28.926 29.700 -0.235 0.000 0.977 143 E HN 0.496 nan 8.360 nan 0.000 0.483 144 Y N 1.375 121.733 120.300 0.096 0.000 2.594 144 Y HA 0.414 4.954 4.550 -0.017 0.000 0.344 144 Y C 1.618 177.542 175.900 0.040 0.000 1.185 144 Y CA -0.258 57.885 58.100 0.073 0.000 1.565 144 Y CB 0.417 38.919 38.460 0.072 0.000 1.415 144 Y HN 0.087 nan 8.280 nan 0.000 0.488 145 A N 2.349 125.253 122.820 0.140 0.000 1.986 145 A HA -0.227 4.082 4.320 -0.017 0.000 0.220 145 A C 2.198 179.828 177.584 0.077 0.000 1.171 145 A CA 1.826 53.910 52.037 0.079 0.000 0.640 145 A CB -0.295 18.737 19.000 0.054 0.000 0.811 145 A HN 0.728 nan 8.150 nan 0.000 0.451 146 E N 0.660 120.920 120.200 0.100 0.000 2.409 146 E HA -0.195 4.145 4.350 -0.017 0.000 0.198 146 E C 1.128 177.763 176.600 0.059 0.000 1.024 146 E CA 1.349 57.791 56.400 0.070 0.000 0.861 146 E CB -0.430 29.312 29.700 0.069 0.000 0.788 146 E HN 0.778 nan 8.360 nan 0.000 0.521 147 E N 0.723 120.971 120.200 0.080 0.000 2.371 147 E HA 0.038 4.377 4.350 -0.017 0.000 0.194 147 E C 0.202 176.818 176.600 0.027 0.000 1.012 147 E CA -0.148 56.284 56.400 0.053 0.000 0.860 147 E CB 0.079 29.824 29.700 0.076 0.000 0.811 147 E HN 0.188 nan 8.360 nan 0.000 0.502 148 R N 0.531 121.046 120.500 0.024 0.000 2.399 148 R HA 0.136 4.466 4.340 -0.017 0.000 0.324 148 R C 0.781 177.079 176.300 -0.005 0.000 1.030 148 R CA 0.668 56.771 56.100 0.004 0.000 0.984 148 R CB 0.231 30.532 30.300 0.002 0.000 0.961 148 R HN 0.265 nan 8.270 nan 0.000 0.433 149 G N 2.640 111.430 108.800 -0.016 0.000 2.195 149 G HA2 -0.275 3.674 3.960 -0.017 0.000 0.224 149 G HA3 -0.275 3.674 3.960 -0.017 0.000 0.224 149 G C 0.151 175.039 174.900 -0.020 0.000 0.990 149 G CA -0.425 44.660 45.100 -0.025 0.000 0.639 149 G HN 0.511 nan 8.290 nan 0.000 0.514 150 R N -0.105 120.389 120.500 -0.010 0.000 2.668 150 R HA 0.670 4.999 4.340 -0.017 0.000 0.279 150 R C 0.051 176.345 176.300 -0.011 0.000 0.976 150 R CA -0.884 55.214 56.100 -0.004 0.000 0.978 150 R CB 1.041 31.342 30.300 0.003 0.000 1.133 150 R HN 0.119 nan 8.270 nan 0.000 0.484 151 R N 2.288 122.783 120.500 -0.008 0.000 2.235 151 R HA 0.296 4.626 4.340 -0.017 0.000 0.338 151 R C -0.324 175.967 176.300 -0.016 0.000 1.087 151 R CA -0.223 55.864 56.100 -0.023 0.000 0.948 151 R CB 0.386 30.663 30.300 -0.040 0.000 1.099 151 R HN 0.280 nan 8.270 nan 0.000 0.483 152 I N 4.264 124.824 120.570 -0.017 0.000 2.525 152 I HA 0.436 4.596 4.170 -0.017 0.000 0.301 152 I C 0.084 176.196 176.117 -0.008 0.000 0.992 152 I CA -0.824 60.463 61.300 -0.021 0.000 1.162 152 I CB 1.643 39.614 38.000 -0.048 0.000 1.332 152 I HN 0.480 nan 8.210 nan 0.000 0.458 153 L N 4.919 126.141 121.223 -0.001 0.000 2.422 153 L HA 0.520 4.849 4.340 -0.017 0.000 0.264 153 L C -0.211 176.654 176.870 -0.008 0.000 0.984 153 L CA -0.768 54.100 54.840 0.047 0.000 0.819 153 L CB 2.674 44.796 42.059 0.104 0.000 1.330 153 L HN 0.540 nan 8.230 nan 0.000 0.410 154 R N 0.737 121.213 120.500 -0.041 0.000 2.643 154 R HA 0.740 5.070 4.340 -0.017 0.000 0.272 154 R C -0.208 176.133 176.300 0.068 0.000 0.995 154 R CA -0.763 55.260 56.100 -0.128 0.000 1.032 154 R CB 1.874 31.737 30.300 -0.728 0.000 1.126 154 R HN 0.738 nan 8.270 nan 0.000 0.505 155 G N 1.665 110.522 108.800 0.096 0.000 2.643 155 G HA2 0.574 4.524 3.960 -0.017 0.000 0.305 155 G HA3 0.574 4.524 3.960 -0.017 0.000 0.305 155 G C -1.091 174.000 174.900 0.318 0.000 1.387 155 G CA -0.593 44.610 45.100 0.173 0.000 0.982 155 G HN 0.269 nan 8.290 nan 0.000 0.501 156 L N 1.627 123.113 121.223 0.437 0.000 2.341 156 L HA 0.703 5.033 4.340 -0.017 0.000 0.278 156 L C 0.543 177.601 176.870 0.313 0.000 1.005 156 L CA -1.006 54.088 54.840 0.423 0.000 0.818 156 L CB 2.166 44.570 42.059 0.575 0.000 1.259 156 L HN 0.646 nan 8.230 nan 0.000 0.418 157 A N 3.180 126.074 122.820 0.123 0.000 2.310 157 A HA 0.810 5.120 4.320 -0.017 0.000 0.299 157 A C -1.133 176.168 177.584 -0.472 0.000 1.147 157 A CA -0.094 51.968 52.037 0.042 0.000 0.818 157 A CB 0.336 19.413 19.000 0.129 0.000 1.096 157 A HN 0.515 nan 8.150 nan 0.000 0.495 158 F N 1.054 120.978 119.950 -0.044 0.000 2.573 158 F HA 0.393 4.909 4.527 -0.017 0.000 0.316 158 F C -0.096 175.644 175.800 -0.101 0.000 1.148 158 F CA -0.665 57.256 58.000 -0.133 0.000 0.940 158 F CB 2.201 40.981 39.000 -0.365 0.000 1.214 158 F HN 0.315 nan 8.300 nan 0.000 0.448 159 V N 3.073 123.041 119.914 0.089 0.000 2.530 159 V HA 0.223 4.333 4.120 -0.017 0.000 0.282 159 V C -0.205 175.918 176.094 0.049 0.000 1.048 159 V CA -0.355 61.964 62.300 0.032 0.000 0.997 159 V CB 1.313 33.110 31.823 -0.043 0.000 0.987 159 V HN 0.763 nan 8.190 nan 0.000 0.477 160 Q N 2.789 122.571 119.800 -0.031 0.000 2.381 160 Q HA 0.240 4.570 4.340 -0.017 0.000 0.263 160 Q C -0.008 175.922 176.000 -0.117 0.000 1.030 160 Q CA -0.655 55.095 55.803 -0.089 0.000 0.772 160 Q CB 1.240 29.904 28.738 -0.123 0.000 1.232 160 Q HN 0.770 nan 8.270 nan 0.000 0.476 161 D N 3.290 123.590 120.400 -0.167 0.000 2.218 161 D HA -0.023 4.607 4.640 -0.017 0.000 0.204 161 D C -0.006 176.380 176.300 0.144 0.000 0.976 161 D CA 1.266 55.242 54.000 -0.040 0.000 0.853 161 D CB 0.079 40.912 40.800 0.056 0.000 0.939 161 D HN 0.437 nan 8.370 nan 0.000 0.481 162 F N -4.985 114.956 119.950 -0.015 0.000 2.741 162 F HA 0.370 4.886 4.527 -0.017 0.000 0.311 162 F C -2.447 173.341 175.800 -0.019 0.000 1.149 162 F CA -2.168 55.820 58.000 -0.021 0.000 0.930 162 F CB 0.512 39.494 39.000 -0.029 0.000 1.312 162 F HN -0.415 nan 8.300 nan 0.000 0.450 163 P HA -0.202 nan 4.420 nan 0.000 0.219 163 P C 0.379 177.672 177.300 -0.011 0.000 1.158 163 P CA 2.437 65.567 63.100 0.051 0.000 0.895 163 P CB 0.140 31.894 31.700 0.090 0.000 0.792 164 E N -1.480 118.758 120.200 0.063 0.000 2.419 164 E HA 0.053 4.393 4.350 -0.017 0.000 0.190 164 E C 0.007 176.450 176.600 -0.262 0.000 1.040 164 E CA -0.270 56.123 56.400 -0.012 0.000 0.900 164 E CB -0.203 29.572 29.700 0.125 0.000 1.054 164 E HN 0.304 nan 8.360 nan 0.000 0.462 165 D N 0.684 120.652 120.400 -0.719 0.000 2.341 165 D HA 0.008 4.638 4.640 -0.017 0.000 0.245 165 D C -0.532 175.538 176.300 -0.382 0.000 1.106 165 D CA 0.023 53.484 54.000 -0.899 0.000 0.905 165 D CB 1.155 41.203 40.800 -1.254 0.000 1.202 165 D HN -0.157 nan 8.370 nan 0.000 0.426 166 S N 2.266 117.818 115.700 -0.246 0.000 2.400 166 S HA 0.428 4.888 4.470 -0.017 0.000 0.295 166 S C 1.041 175.574 174.600 -0.112 0.000 1.113 166 S CA -0.245 57.887 58.200 -0.113 0.000 1.064 166 S CB 0.368 63.549 63.200 -0.032 0.000 0.990 166 S HN 0.506 nan 8.310 nan 0.000 0.502 167 A N 4.973 127.629 122.820 -0.272 0.000 2.019 167 A HA -0.037 4.272 4.320 -0.017 0.000 0.219 167 A C 1.418 178.877 177.584 -0.209 0.000 1.164 167 A CA 0.989 52.874 52.037 -0.253 0.000 0.644 167 A CB -0.755 17.992 19.000 -0.421 0.000 0.805 167 A HN 0.996 nan 8.150 nan 0.000 0.449 168 W N -0.180 121.097 121.300 -0.039 0.000 2.421 168 W HA 0.010 4.660 4.660 -0.017 0.000 0.270 168 W C 2.401 179.039 176.519 0.199 0.000 1.233 168 W CA 0.745 58.071 57.345 -0.032 0.000 1.226 168 W CB -0.179 29.242 29.460 -0.065 0.000 1.121 168 W HN 0.368 nan 8.180 nan 0.000 0.579 169 A N -0.542 122.459 122.820 0.301 0.000 2.119 169 A HA -0.077 4.233 4.320 -0.017 0.000 0.217 169 A C 0.669 178.107 177.584 -0.244 0.000 1.153 169 A CA 0.865 52.946 52.037 0.074 0.000 0.692 169 A CB -0.615 18.329 19.000 -0.093 0.000 0.799 169 A HN 0.348 nan 8.150 nan 0.000 0.458 170 H N -0.219 118.966 119.070 0.191 0.000 2.355 170 H HA 0.254 4.799 4.556 -0.017 0.000 0.232 170 H C -2.902 172.445 175.328 0.031 0.000 1.422 170 H CA -2.252 53.849 56.048 0.089 0.000 1.261 170 H CB -0.294 29.500 29.762 0.054 0.000 1.595 170 H HN 0.366 nan 8.280 nan 0.000 0.529 171 P HA 0.018 nan 4.420 nan 0.000 0.271 171 P C 0.303 177.434 177.300 -0.282 0.000 1.218 171 P CA -0.309 62.588 63.100 -0.339 0.000 0.780 171 P CB 1.995 33.556 31.700 -0.232 0.000 0.901 172 V N 3.284 122.956 119.914 -0.403 0.000 2.259 172 V HA 0.151 4.260 4.120 -0.017 0.000 0.267 172 V C 0.683 176.639 176.094 -0.230 0.000 1.051 172 V CA -0.344 61.812 62.300 -0.240 0.000 0.830 172 V CB 0.202 31.889 31.823 -0.227 0.000 1.080 172 V HN 0.534 nan 8.190 nan 0.000 0.467 173 D N 2.938 123.206 120.400 -0.219 0.000 2.360 173 D HA 0.385 5.015 4.640 -0.017 0.000 0.242 173 D C 1.321 177.547 176.300 -0.123 0.000 1.184 173 D CA 1.502 55.300 54.000 -0.337 0.000 0.930 173 D CB 1.734 42.045 40.800 -0.815 0.000 1.161 173 D HN 0.740 nan 8.370 nan 0.000 0.447 174 G N 0.243 108.969 108.800 -0.122 0.000 2.179 174 G HA2 -0.225 3.724 3.960 -0.017 0.000 0.260 174 G HA3 -0.225 3.724 3.960 -0.017 0.000 0.260 174 G C -0.084 174.854 174.900 0.064 0.000 0.977 174 G CA 0.595 45.782 45.100 0.146 0.000 0.641 174 G HN 0.489 nan 8.290 nan 0.000 0.533 175 L N -0.046 121.184 121.223 0.011 0.000 2.431 175 L HA 0.938 5.268 4.340 -0.017 0.000 0.266 175 L C -0.698 176.252 176.870 0.134 0.000 0.978 175 L CA -1.054 53.795 54.840 0.015 0.000 0.822 175 L CB 2.414 44.393 42.059 -0.134 0.000 1.310 175 L HN 0.667 nan 8.230 nan 0.000 0.409 176 V N 3.691 123.720 119.914 0.193 0.000 3.077 176 V HA 0.964 5.073 4.120 -0.017 0.000 0.299 176 V C -1.448 174.719 176.094 0.121 0.000 1.276 176 V CA 0.301 62.754 62.300 0.256 0.000 0.993 176 V CB 2.103 34.105 31.823 0.298 0.000 1.076 176 V HN 1.225 nan 8.190 nan 0.000 0.434 177 A N 4.851 127.721 122.820 0.083 0.000 2.435 177 A HA 0.956 5.266 4.320 -0.017 0.000 0.304 177 A C -2.016 175.537 177.584 -0.052 0.000 1.064 177 A CA -0.459 51.496 52.037 -0.137 0.000 0.727 177 A CB 1.666 20.533 19.000 -0.222 0.000 1.284 177 A HN 0.852 nan 8.150 nan 0.000 0.415 178 Y N 0.397 120.570 120.300 -0.211 0.000 2.377 178 Y HA 0.628 5.168 4.550 -0.017 0.000 0.339 178 Y C -0.090 175.704 175.900 -0.178 0.000 1.011 178 Y CA -1.700 56.256 58.100 -0.240 0.000 1.093 178 Y CB 1.687 39.961 38.460 -0.309 0.000 1.201 178 Y HN 0.362 nan 8.280 nan 0.000 0.455 179 V N 2.967 122.889 119.914 0.013 0.000 2.638 179 V HA 0.234 4.344 4.120 -0.017 0.000 0.306 179 V C -0.705 175.380 176.094 -0.014 0.000 1.052 179 V CA -1.097 61.187 62.300 -0.027 0.000 0.885 179 V CB 2.275 34.064 31.823 -0.058 0.000 0.999 179 V HN 0.685 nan 8.190 nan 0.000 0.424 180 D N 3.193 123.586 120.400 -0.012 0.000 2.339 180 D HA 0.159 4.789 4.640 -0.017 0.000 0.241 180 D C 0.974 177.273 176.300 -0.002 0.000 1.183 180 D CA -0.190 53.807 54.000 -0.005 0.000 0.859 180 D CB 1.982 42.782 40.800 -0.000 0.000 1.067 180 D HN 0.449 nan 8.370 nan 0.000 0.484 181 V N 2.224 122.138 119.914 0.000 0.000 3.380 181 V HA -0.045 4.065 4.120 -0.017 0.000 0.268 181 V C 1.587 177.696 176.094 0.026 0.000 1.168 181 V CA 0.380 62.683 62.300 0.005 0.000 1.156 181 V CB -0.227 31.591 31.823 -0.008 0.000 0.785 181 V HN 0.381 nan 8.190 nan 0.000 0.487 182 V N 1.433 121.370 119.914 0.038 0.000 2.403 182 V HA -0.046 4.064 4.120 -0.017 0.000 0.239 182 V C 2.768 178.885 176.094 0.037 0.000 1.041 182 V CA 1.805 64.144 62.300 0.065 0.000 1.051 182 V CB -0.106 31.770 31.823 0.088 0.000 0.704 182 V HN 0.693 nan 8.190 nan 0.000 0.472 183 S N -0.677 115.037 115.700 0.023 0.000 2.522 183 S HA -0.037 4.423 4.470 -0.017 0.000 0.227 183 S C 0.812 175.417 174.600 0.009 0.000 0.986 183 S CA 0.207 58.415 58.200 0.013 0.000 0.929 183 S CB -0.460 62.745 63.200 0.008 0.000 0.769 183 S HN 0.589 nan 8.310 nan 0.000 0.529 184 K N 1.150 121.555 120.400 0.008 0.000 3.393 184 K HA -0.140 4.170 4.320 -0.017 0.000 0.272 184 K C -1.086 175.509 176.600 -0.008 0.000 1.004 184 K CA 0.825 57.113 56.287 0.001 0.000 0.764 184 K CB -1.798 30.706 32.500 0.006 0.000 1.373 184 K HN 0.703 nan 8.250 nan 0.000 0.458 185 E N 0.074 120.266 120.200 -0.012 0.000 2.266 185 E HA 0.357 4.696 4.350 -0.017 0.000 0.268 185 E C -0.491 176.090 176.600 -0.031 0.000 0.879 185 E CA -1.058 55.332 56.400 -0.018 0.000 0.762 185 E CB 2.421 32.115 29.700 -0.010 0.000 1.199 185 E HN -0.034 nan 8.360 nan 0.000 0.422 186 V N 2.913 122.802 119.914 -0.042 0.000 2.389 186 V HA 0.008 4.118 4.120 -0.017 0.000 0.264 186 V C 1.380 177.446 176.094 -0.047 0.000 1.049 186 V CA 0.261 62.523 62.300 -0.062 0.000 0.932 186 V CB 0.586 32.359 31.823 -0.083 0.000 1.011 186 V HN 0.948 nan 8.190 nan 0.000 0.475 187 T N 2.810 117.340 114.554 -0.039 0.000 2.942 187 T HA 0.141 4.481 4.350 -0.017 0.000 0.265 187 T C 0.826 175.483 174.700 -0.072 0.000 1.062 187 T CA 0.458 62.539 62.100 -0.031 0.000 1.139 187 T CB 0.309 69.177 68.868 0.000 0.000 0.883 187 T HN 0.487 nan 8.240 nan 0.000 0.468 188 R N -0.657 119.756 120.500 -0.145 0.000 2.629 188 R HA 0.641 4.970 4.340 -0.017 0.000 0.266 188 R C -2.270 173.835 176.300 -0.325 0.000 1.051 188 R CA -0.610 55.327 56.100 -0.271 0.000 0.895 188 R CB 2.844 32.854 30.300 -0.484 0.000 1.246 188 R HN 0.077 nan 8.270 nan 0.000 0.459 189 V N 4.683 124.466 119.914 -0.219 0.000 2.482 189 V HA 0.487 4.597 4.120 -0.017 0.000 0.295 189 V C -0.592 175.432 176.094 -0.116 0.000 1.026 189 V CA -0.553 61.688 62.300 -0.098 0.000 0.856 189 V CB 1.772 33.638 31.823 0.071 0.000 1.001 189 V HN 0.573 nan 8.190 nan 0.000 0.424 190 I N 4.125 124.612 120.570 -0.138 0.000 2.378 190 I HA 0.524 4.684 4.170 -0.017 0.000 0.291 190 I C -0.869 175.239 176.117 -0.014 0.000 0.992 190 I CA -0.224 61.023 61.300 -0.089 0.000 1.154 190 I CB 1.886 39.811 38.000 -0.125 0.000 1.315 190 I HN 0.500 nan 8.210 nan 0.000 0.448 191 D N 4.253 124.649 120.400 -0.007 0.000 2.542 191 D HA 0.174 4.804 4.640 -0.017 0.000 0.252 191 D C 0.676 176.988 176.300 0.020 0.000 1.222 191 D CA -0.357 53.643 54.000 -0.000 0.000 0.895 191 D CB 1.685 42.467 40.800 -0.030 0.000 1.207 191 D HN 0.638 nan 8.370 nan 0.000 0.558 192 T N 0.379 114.967 114.554 0.057 0.000 3.081 192 T HA 0.489 4.829 4.350 -0.017 0.000 0.250 192 T C 0.928 175.662 174.700 0.056 0.000 1.100 192 T CA 0.328 62.470 62.100 0.070 0.000 1.038 192 T CB 0.252 69.188 68.868 0.113 0.000 0.962 192 T HN 0.608 nan 8.240 nan 0.000 0.516 193 G N 0.839 109.669 108.800 0.050 0.000 2.316 193 G HA2 0.329 4.278 3.960 -0.017 0.000 0.468 193 G HA3 0.329 4.278 3.960 -0.017 0.000 0.468 193 G C -0.777 174.134 174.900 0.018 0.000 1.523 193 G CA -0.602 44.489 45.100 -0.015 0.000 0.972 193 G HN 0.971 nan 8.290 nan 0.000 0.667 194 V N -1.214 118.667 119.914 -0.055 0.000 2.881 194 V HA 0.876 4.986 4.120 -0.017 0.000 0.303 194 V C -0.156 175.891 176.094 -0.079 0.000 1.070 194 V CA -0.596 61.696 62.300 -0.013 0.000 1.074 194 V CB 1.067 32.860 31.823 -0.049 0.000 1.012 194 V HN 0.860 nan 8.190 nan 0.000 0.482 195 F N 2.087 121.999 119.950 -0.064 0.000 2.565 195 F HA 0.697 5.213 4.527 -0.017 0.000 0.313 195 F C -2.224 173.546 175.800 -0.049 0.000 1.091 195 F CA -2.163 55.805 58.000 -0.054 0.000 0.915 195 F CB 2.089 41.055 39.000 -0.056 0.000 1.208 195 F HN 0.416 nan 8.300 nan 0.000 0.453 196 P HA 0.122 nan 4.420 nan 0.000 0.265 196 P C -0.901 176.451 177.300 0.088 0.000 1.193 196 P CA -0.128 63.019 63.100 0.078 0.000 0.765 196 P CB 0.547 32.287 31.700 0.066 0.000 0.823 197 V N 6.687 126.632 119.914 0.052 0.000 2.368 197 V HA 0.167 4.277 4.120 -0.017 0.000 0.266 197 V C -1.855 174.289 176.094 0.084 0.000 1.045 197 V CA -1.561 60.767 62.300 0.047 0.000 0.899 197 V CB 0.532 32.362 31.823 0.012 0.000 1.006 197 V HN 0.582 nan 8.190 nan 0.000 0.470 198 P HA -0.008 nan 4.420 nan 0.000 0.259 198 P C 0.476 177.924 177.300 0.246 0.000 1.163 198 P CA 0.433 63.604 63.100 0.118 0.000 0.760 198 P CB 0.756 32.483 31.700 0.046 0.000 0.762 199 A N 3.773 126.707 122.820 0.190 0.000 1.984 199 A HA -0.021 4.289 4.320 -0.017 0.000 0.214 199 A C 0.771 178.545 177.584 0.316 0.000 1.173 199 A CA 0.496 52.668 52.037 0.226 0.000 0.673 199 A CB -0.443 18.631 19.000 0.124 0.000 0.830 199 A HN 0.565 nan 8.150 nan 0.000 0.453 200 E N 0.843 121.172 120.200 0.215 0.000 2.442 200 E HA 0.198 4.538 4.350 -0.017 0.000 0.262 200 E C -0.266 176.483 176.600 0.249 0.000 1.004 200 E CA 0.080 56.589 56.400 0.181 0.000 0.928 200 E CB 0.262 30.021 29.700 0.098 0.000 0.937 200 E HN 0.782 nan 8.360 nan 0.000 0.446 201 H N -0.543 118.684 119.070 0.261 0.000 2.505 201 H HA 0.457 5.003 4.556 -0.017 0.000 0.355 201 H C 0.517 175.948 175.328 0.171 0.000 1.179 201 H CA -0.809 55.358 56.048 0.199 0.000 1.343 201 H CB 1.017 30.920 29.762 0.235 0.000 1.501 201 H HN 0.495 nan 8.280 nan 0.000 0.569 202 G N 1.372 110.311 108.800 0.232 0.000 4.547 202 G HA2 0.053 4.003 3.960 -0.017 0.000 0.301 202 G HA3 0.053 4.003 3.960 -0.017 0.000 0.301 202 G C -0.653 174.206 174.900 -0.069 0.000 1.240 202 G CA -0.680 44.420 45.100 0.000 0.000 0.970 202 G HN 0.623 nan 8.290 nan 0.000 0.574 203 N N 1.733 120.555 118.700 0.203 0.000 2.555 203 N HA 0.105 4.834 4.740 -0.017 0.000 0.244 203 N C 0.844 176.281 175.510 -0.123 0.000 1.114 203 N CA -0.438 52.544 53.050 -0.114 0.000 0.963 203 N CB 0.575 39.025 38.487 -0.061 0.000 1.276 203 N HN 0.555 nan 8.380 nan 0.000 0.510 204 Y N -0.384 119.905 120.300 -0.020 0.000 2.680 204 Y HA -0.038 4.502 4.550 -0.017 0.000 0.303 204 Y C 1.697 177.588 175.900 -0.014 0.000 1.166 204 Y CA 0.357 58.428 58.100 -0.049 0.000 1.344 204 Y CB -0.734 37.657 38.460 -0.116 0.000 1.002 204 Y HN 0.276 nan 8.280 nan 0.000 0.537 205 T N -4.109 110.423 114.554 -0.036 0.000 3.054 205 T HA 0.071 4.411 4.350 -0.017 0.000 0.255 205 T C 0.036 174.742 174.700 0.009 0.000 1.035 205 T CA -0.181 61.931 62.100 0.020 0.000 0.941 205 T CB -0.150 68.719 68.868 0.001 0.000 1.026 205 T HN 0.183 nan 8.240 nan 0.000 0.533 206 D N 3.548 123.955 120.400 0.013 0.000 2.325 206 D HA 0.202 4.832 4.640 -0.017 0.000 0.251 206 D C -1.159 175.175 176.300 0.057 0.000 1.196 206 D CA -2.527 51.488 54.000 0.025 0.000 0.866 206 D CB 1.753 42.568 40.800 0.024 0.000 1.101 206 D HN 0.028 nan 8.370 nan 0.000 0.476 207 P HA -0.191 nan 4.420 nan 0.000 0.220 207 P C 1.016 178.346 177.300 0.051 0.000 1.144 207 P CA 0.846 63.968 63.100 0.036 0.000 0.800 207 P CB 0.349 32.061 31.700 0.020 0.000 0.772 208 E N -0.629 119.613 120.200 0.069 0.000 2.208 208 E HA -0.145 4.195 4.350 -0.017 0.000 0.193 208 E C 1.787 178.454 176.600 0.110 0.000 0.988 208 E CA 0.495 56.950 56.400 0.092 0.000 0.828 208 E CB -0.211 29.562 29.700 0.121 0.000 0.763 208 E HN 0.105 nan 8.360 nan 0.000 0.478 209 L N 0.214 121.518 121.223 0.136 0.000 2.286 209 L HA 0.013 4.342 4.340 -0.017 0.000 0.203 209 L C 2.496 179.405 176.870 0.064 0.000 1.068 209 L CA 1.889 56.791 54.840 0.103 0.000 0.811 209 L CB -0.408 41.742 42.059 0.151 0.000 0.989 209 L HN 0.220 nan 8.230 nan 0.000 0.467 210 T N -2.379 112.215 114.554 0.066 0.000 2.857 210 T HA 0.335 4.675 4.350 -0.017 0.000 0.266 210 T C 1.194 175.915 174.700 0.035 0.000 1.048 210 T CA 0.605 62.733 62.100 0.047 0.000 1.139 210 T CB -0.894 68.003 68.868 0.048 0.000 0.874 210 T HN 0.774 nan 8.240 nan 0.000 0.455 211 G N 1.752 110.574 108.800 0.037 0.000 2.760 211 G HA2 -0.006 3.943 3.960 -0.017 0.000 0.246 211 G HA3 -0.006 3.943 3.960 -0.017 0.000 0.246 211 G C -2.945 171.969 174.900 0.023 0.000 1.359 211 G CA -0.753 44.364 45.100 0.029 0.000 0.861 211 G HN 0.528 nan 8.290 nan 0.000 0.541 212 P HA 0.390 nan 4.420 nan 0.000 0.268 212 P C 0.512 177.820 177.300 0.013 0.000 1.204 212 P CA -0.269 62.840 63.100 0.015 0.000 0.768 212 P CB 0.394 32.100 31.700 0.012 0.000 0.842 213 L N 3.326 124.557 121.223 0.013 0.000 2.439 213 L HA 0.224 4.554 4.340 -0.017 0.000 0.269 213 L C 1.244 178.118 176.870 0.007 0.000 1.179 213 L CA -0.384 54.462 54.840 0.011 0.000 0.828 213 L CB 0.114 42.180 42.059 0.011 0.000 1.106 213 L HN 0.329 nan 8.230 nan 0.000 0.467 214 R N 0.577 121.080 120.500 0.005 0.000 2.570 214 R HA 0.050 4.379 4.340 -0.017 0.000 0.277 214 R C 0.739 177.040 176.300 0.003 0.000 1.039 214 R CA 0.338 56.440 56.100 0.003 0.000 1.065 214 R CB 0.219 30.519 30.300 0.001 0.000 0.964 214 R HN 0.721 nan 8.270 nan 0.000 0.428 215 T N -3.506 111.049 114.554 0.003 0.000 3.044 215 T HA -0.026 4.314 4.350 -0.017 0.000 0.260 215 T C 1.464 176.165 174.700 0.001 0.000 1.019 215 T CA 0.161 62.262 62.100 0.002 0.000 0.921 215 T CB 0.299 69.168 68.868 0.003 0.000 1.053 215 T HN 0.677 nan 8.240 nan 0.000 0.533 216 T N -0.247 114.307 114.554 0.000 0.000 3.067 216 T HA 0.093 4.433 4.350 -0.017 0.000 0.261 216 T C 0.811 175.510 174.700 -0.002 0.000 1.110 216 T CA 0.069 62.169 62.100 -0.001 0.000 1.113 216 T CB -0.411 68.457 68.868 -0.002 0.000 0.917 216 T HN 0.416 nan 8.240 nan 0.000 0.499 217 Q N 1.890 121.689 119.800 -0.001 0.000 2.323 217 Q HA 0.296 4.626 4.340 -0.017 0.000 0.257 217 Q C -0.467 175.533 176.000 -0.001 0.000 1.022 217 Q CA 0.031 55.833 55.803 -0.002 0.000 0.919 217 Q CB 0.854 29.591 28.738 -0.003 0.000 1.220 217 Q HN 0.467 nan 8.270 nan 0.000 0.427 218 K N 3.297 123.697 120.400 -0.001 0.000 2.098 218 K HA 0.401 4.711 4.320 -0.017 0.000 0.261 218 K C -1.988 174.613 176.600 0.002 0.000 0.987 218 K CA -1.691 54.596 56.287 0.001 0.000 0.916 218 K CB 0.369 32.869 32.500 -0.000 0.000 1.039 218 K HN 0.437 nan 8.250 nan 0.000 0.455 219 P HA 0.106 nan 4.420 nan 0.000 0.269 219 P C -0.720 176.584 177.300 0.006 0.000 1.209 219 P CA 0.192 63.296 63.100 0.006 0.000 0.776 219 P CB 0.558 32.263 31.700 0.007 0.000 0.876 220 I N 1.125 121.700 120.570 0.009 0.000 2.420 220 I HA 0.127 4.286 4.170 -0.017 0.000 0.282 220 I C 0.320 176.447 176.117 0.016 0.000 1.019 220 I CA -0.481 60.825 61.300 0.011 0.000 1.130 220 I CB 1.588 39.594 38.000 0.011 0.000 1.262 220 I HN 0.269 nan 8.210 nan 0.000 0.454 221 S N 7.410 123.120 115.700 0.017 0.000 2.438 221 S HA 0.623 5.082 4.470 -0.017 0.000 0.293 221 S C -0.474 174.143 174.600 0.028 0.000 1.141 221 S CA -0.414 57.799 58.200 0.021 0.000 1.080 221 S CB 0.398 63.609 63.200 0.019 0.000 0.978 221 S HN 0.433 nan 8.310 nan 0.000 0.479 222 I N 5.215 125.806 120.570 0.034 0.000 2.382 222 I HA 0.359 4.518 4.170 -0.017 0.000 0.285 222 I C 0.222 176.368 176.117 0.047 0.000 1.007 222 I CA -0.368 60.960 61.300 0.046 0.000 1.142 222 I CB 1.763 39.798 38.000 0.059 0.000 1.289 222 I HN 0.665 nan 8.210 nan 0.000 0.453 223 T N 1.978 116.560 114.554 0.047 0.000 2.887 223 T HA 0.535 4.874 4.350 -0.017 0.000 0.292 223 T C -0.730 173.999 174.700 0.049 0.000 1.087 223 T CA -0.894 61.232 62.100 0.044 0.000 1.009 223 T CB 2.277 71.165 68.868 0.033 0.000 1.203 223 T HN 0.487 nan 8.240 nan 0.000 0.518 224 Q N 0.869 120.696 119.800 0.044 0.000 2.695 224 Q HA 0.262 4.591 4.340 -0.017 0.000 0.246 224 Q C -2.254 173.762 176.000 0.026 0.000 0.961 224 Q CA -1.862 53.966 55.803 0.042 0.000 0.708 224 Q CB 1.923 30.691 28.738 0.049 0.000 1.282 224 Q HN 0.497 nan 8.270 nan 0.000 0.482 225 P HA -0.209 nan 4.420 nan 0.000 0.217 225 P C 0.113 177.419 177.300 0.010 0.000 1.148 225 P CA 1.444 64.554 63.100 0.016 0.000 0.834 225 P CB 0.355 32.064 31.700 0.016 0.000 0.783 226 E N -1.058 119.148 120.200 0.009 0.000 2.499 226 E HA 0.385 4.725 4.350 -0.017 0.000 0.199 226 E C 0.744 177.337 176.600 -0.012 0.000 1.016 226 E CA -0.059 56.341 56.400 0.001 0.000 0.933 226 E CB 0.140 29.842 29.700 0.003 0.000 1.050 226 E HN 0.125 nan 8.360 nan 0.000 0.462 227 G N 2.927 111.718 108.800 -0.014 0.000 2.795 227 G HA2 -0.191 3.758 3.960 -0.017 0.000 0.664 227 G HA3 -0.191 3.758 3.960 -0.017 0.000 0.664 227 G C -2.719 172.144 174.900 -0.061 0.000 1.381 227 G CA -0.892 44.181 45.100 -0.045 0.000 0.853 227 G HN 0.021 nan 8.290 nan 0.000 0.545 228 P HA 0.372 nan 4.420 nan 0.000 0.274 228 P C 0.606 177.812 177.300 -0.156 0.000 1.256 228 P CA 0.100 63.082 63.100 -0.196 0.000 0.795 228 P CB 1.237 32.560 31.700 -0.628 0.000 1.038 229 S N -0.503 115.230 115.700 0.056 0.000 2.528 229 S HA 0.119 4.579 4.470 -0.017 0.000 0.219 229 S C 0.741 175.498 174.600 0.262 0.000 0.985 229 S CA 0.105 58.400 58.200 0.159 0.000 0.914 229 S CB -0.708 62.641 63.200 0.247 0.000 0.776 229 S HN 0.560 nan 8.310 nan 0.000 0.526 230 F N 2.238 122.393 119.950 0.341 0.000 2.378 230 F HA 0.729 5.246 4.527 -0.017 0.000 0.325 230 F C 0.204 176.097 175.800 0.156 0.000 1.097 230 F CA -1.054 57.127 58.000 0.302 0.000 1.079 230 F CB 0.309 39.451 39.000 0.237 0.000 1.240 230 F HN -0.134 nan 8.300 nan 0.000 0.519 231 T N -0.237 114.506 114.554 0.315 0.000 2.863 231 T HA 0.719 5.059 4.350 -0.017 0.000 0.285 231 T C -1.163 173.699 174.700 0.270 0.000 1.009 231 T CA -0.798 61.414 62.100 0.186 0.000 0.989 231 T CB 1.442 70.393 68.868 0.139 0.000 1.004 231 T HN 0.682 nan 8.240 nan 0.000 0.455 232 V N 3.666 123.708 119.914 0.214 0.000 2.378 232 V HA 0.666 4.775 4.120 -0.017 0.000 0.288 232 V C 0.469 176.660 176.094 0.162 0.000 1.016 232 V CA -0.672 61.751 62.300 0.204 0.000 0.840 232 V CB 0.965 32.912 31.823 0.206 0.000 0.994 232 V HN 1.261 nan 8.190 nan 0.000 0.431 233 T N 0.155 114.822 114.554 0.189 0.000 2.924 233 T HA 0.687 5.026 4.350 -0.017 0.000 0.291 233 T C 0.823 175.614 174.700 0.152 0.000 1.045 233 T CA -0.069 62.121 62.100 0.152 0.000 1.015 233 T CB 1.767 70.719 68.868 0.139 0.000 1.103 233 T HN 1.722 nan 8.240 nan 0.000 0.496 234 G N -0.055 108.805 108.800 0.099 0.000 2.225 234 G HA2 0.113 4.063 3.960 -0.017 0.000 0.267 234 G HA3 0.113 4.063 3.960 -0.017 0.000 0.267 234 G C 1.311 176.269 174.900 0.097 0.000 1.024 234 G CA 0.922 46.074 45.100 0.087 0.000 0.784 234 G HN 2.371 nan 8.290 nan 0.000 0.507 235 G N -0.031 108.825 108.800 0.093 0.000 2.779 235 G HA2 -0.312 3.638 3.960 -0.017 0.000 0.230 235 G HA3 -0.312 3.638 3.960 -0.017 0.000 0.230 235 G C 0.957 175.913 174.900 0.094 0.000 1.243 235 G CA 1.298 46.449 45.100 0.085 0.000 0.769 235 G HN 2.200 nan 8.290 nan 0.000 0.516 236 N N -0.231 118.535 118.700 0.110 0.000 2.232 236 N HA 0.115 4.845 4.740 -0.017 0.000 0.240 236 N C -0.213 175.357 175.510 0.100 0.000 1.307 236 N CA 0.123 53.229 53.050 0.093 0.000 0.859 236 N CB -0.309 38.229 38.487 0.085 0.000 1.260 236 N HN 0.612 nan 8.380 nan 0.000 0.501 237 H N 1.012 120.121 119.070 0.064 0.000 2.604 237 H HA 0.404 4.950 4.556 -0.017 0.000 0.306 237 H C -0.923 174.452 175.328 0.079 0.000 1.075 237 H CA -0.300 55.783 56.048 0.059 0.000 1.357 237 H CB 1.017 30.815 29.762 0.060 0.000 1.426 237 H HN -0.031 nan 8.280 nan 0.000 0.470 238 I N 4.791 125.111 120.570 -0.415 0.000 2.460 238 I HA 0.158 4.318 4.170 -0.017 0.000 0.298 238 I C -0.088 175.922 176.117 -0.178 0.000 0.989 238 I CA -0.291 60.909 61.300 -0.167 0.000 1.173 238 I CB 1.667 39.577 38.000 -0.149 0.000 1.338 238 I HN 0.534 nan 8.210 nan 0.000 0.456 239 E N 5.186 125.451 120.200 0.109 0.000 2.244 239 E HA 0.298 4.638 4.350 -0.017 0.000 0.260 239 E C -1.838 174.969 176.600 0.346 0.000 0.884 239 E CA -0.582 55.932 56.400 0.191 0.000 0.777 239 E CB 2.390 32.211 29.700 0.203 0.000 1.197 239 E HN 0.585 nan 8.360 nan 0.000 0.416 240 W N 3.813 125.191 121.300 0.131 0.000 3.326 240 W HA 0.152 4.802 4.660 -0.016 0.000 0.333 240 W C -0.452 176.171 176.519 0.173 0.000 1.108 240 W CA -0.409 57.039 57.345 0.172 0.000 1.245 240 W CB 0.960 30.527 29.460 0.180 0.000 1.331 240 W HN 0.335 nan 8.180 nan 0.000 0.464 241 E N 5.892 125.791 120.200 -0.501 0.000 2.199 241 E HA -0.324 4.016 4.350 -0.017 0.000 0.208 241 E C 0.527 176.831 176.600 -0.493 0.000 1.310 241 E CA 1.868 57.871 56.400 -0.662 0.000 0.709 241 E CB -1.076 27.817 29.700 -1.345 0.000 1.127 241 E HN 0.900 nan 8.360 nan 0.000 0.354 242 K N -3.989 116.163 120.400 -0.413 0.000 3.609 242 K HA -0.242 4.068 4.320 -0.017 0.000 0.277 242 K C 0.215 176.399 176.600 -0.694 0.000 1.196 242 K CA 1.727 57.601 56.287 -0.688 0.000 1.022 242 K CB -1.419 30.346 32.500 -1.225 0.000 1.292 242 K HN 0.255 nan 8.250 nan 0.000 0.484 243 W N 1.661 122.779 121.300 -0.304 0.000 2.237 243 W HA 0.447 5.097 4.660 -0.016 0.000 0.335 243 W C 0.663 177.173 176.519 -0.015 0.000 1.230 243 W CA -0.119 57.186 57.345 -0.068 0.000 1.253 243 W CB 1.419 30.984 29.460 0.176 0.000 1.129 243 W HN -0.023 nan 8.180 nan 0.000 0.590 244 S N 3.404 119.279 115.700 0.292 0.000 2.572 244 S HA 0.806 5.266 4.470 -0.017 0.000 0.274 244 S C -1.148 173.476 174.600 0.040 0.000 1.150 244 S CA -0.741 57.529 58.200 0.118 0.000 0.944 244 S CB 0.148 63.444 63.200 0.160 0.000 1.071 244 S HN 0.543 nan 8.310 nan 0.000 0.479 245 L N 1.080 122.195 121.223 -0.180 0.000 2.940 245 L HA 0.753 5.083 4.340 -0.017 0.000 0.270 245 L C -2.095 174.617 176.870 -0.263 0.000 1.030 245 L CA -1.053 53.684 54.840 -0.172 0.000 0.928 245 L CB 1.701 43.666 42.059 -0.156 0.000 1.506 245 L HN 0.399 nan 8.230 nan 0.000 0.405 246 D N 1.384 121.707 120.400 -0.128 0.000 2.505 246 D HA 0.463 5.093 4.640 -0.017 0.000 0.249 246 D C -0.836 175.465 176.300 0.001 0.000 1.082 246 D CA -0.294 53.693 54.000 -0.022 0.000 0.839 246 D CB 3.279 44.121 40.800 0.070 0.000 1.317 246 D HN 0.357 nan 8.370 nan 0.000 0.497 247 V N 2.314 122.227 119.914 -0.002 0.000 2.320 247 V HA 0.429 4.538 4.120 -0.017 0.000 0.265 247 V C 0.974 177.121 176.094 0.088 0.000 1.048 247 V CA -0.378 61.914 62.300 -0.013 0.000 0.865 247 V CB 0.978 32.772 31.823 -0.050 0.000 1.043 247 V HN 0.592 nan 8.190 nan 0.000 0.474 248 G N 3.100 111.992 108.800 0.154 0.000 2.511 248 G HA2 0.675 4.625 3.960 -0.017 0.000 0.316 248 G HA3 0.675 4.625 3.960 -0.017 0.000 0.316 248 G C -1.428 173.565 174.900 0.155 0.000 1.210 248 G CA -0.453 44.773 45.100 0.208 0.000 0.969 248 G HN 0.495 nan 8.290 nan 0.000 0.492 249 F N 0.032 119.962 119.950 -0.033 0.000 2.588 249 F HA 0.468 4.984 4.527 -0.017 0.000 0.318 249 F C -1.393 174.352 175.800 -0.090 0.000 1.155 249 F CA -0.934 56.996 58.000 -0.117 0.000 0.967 249 F CB 2.388 41.304 39.000 -0.139 0.000 1.236 249 F HN 0.520 nan 8.300 nan 0.000 0.455 250 D N 3.945 124.002 120.400 -0.571 0.000 2.350 250 D HA 0.317 4.947 4.640 -0.017 0.000 0.245 250 D C 0.337 176.307 176.300 -0.550 0.000 1.036 250 D CA -0.548 53.243 54.000 -0.348 0.000 0.848 250 D CB 2.419 43.123 40.800 -0.160 0.000 1.307 250 D HN 0.375 nan 8.370 nan 0.000 0.469 251 V N 4.217 123.987 119.914 -0.240 0.000 2.490 251 V HA -0.144 3.966 4.120 -0.017 0.000 0.250 251 V C 2.134 178.159 176.094 -0.115 0.000 1.061 251 V CA 2.134 64.332 62.300 -0.170 0.000 1.064 251 V CB -0.378 31.384 31.823 -0.102 0.000 0.670 251 V HN 0.633 nan 8.190 nan 0.000 0.461 252 R N -0.476 120.025 120.500 0.001 0.000 2.057 252 R HA -0.060 4.270 4.340 -0.017 0.000 0.224 252 R C 2.225 178.466 176.300 -0.099 0.000 1.136 252 R CA 1.711 57.799 56.100 -0.020 0.000 0.968 252 R CB -0.216 30.039 30.300 -0.075 0.000 0.863 252 R HN 0.581 nan 8.270 nan 0.000 0.433 253 E N -0.524 119.596 120.200 -0.134 0.000 2.299 253 E HA 0.111 4.451 4.350 -0.017 0.000 0.193 253 E C 0.759 177.164 176.600 -0.324 0.000 0.998 253 E CA 0.398 56.707 56.400 -0.152 0.000 0.851 253 E CB 0.428 30.084 29.700 -0.073 0.000 0.795 253 E HN 0.570 nan 8.360 nan 0.000 0.492 254 G N 0.754 109.159 108.800 -0.658 0.000 2.488 254 G HA2 -0.294 3.656 3.960 -0.017 0.000 0.237 254 G HA3 -0.294 3.656 3.960 -0.017 0.000 0.237 254 G C -0.114 174.172 174.900 -1.022 0.000 1.209 254 G CA -0.358 44.028 45.100 -1.190 0.000 0.929 254 G HN 0.104 nan 8.290 nan 0.000 0.578 255 V N 0.608 120.105 119.914 -0.696 0.000 2.585 255 V HA 0.408 4.518 4.120 -0.017 0.000 0.296 255 V C 0.770 176.767 176.094 -0.162 0.000 1.035 255 V CA 0.244 62.437 62.300 -0.179 0.000 1.084 255 V CB 0.964 32.872 31.823 0.143 0.000 0.953 255 V HN 0.907 nan 8.190 nan 0.000 0.483 256 V N 6.792 126.562 119.914 -0.240 0.000 2.588 256 V HA 0.451 4.560 4.120 -0.017 0.000 0.304 256 V C -0.207 175.558 176.094 -0.549 0.000 1.042 256 V CA -0.612 61.451 62.300 -0.395 0.000 0.877 256 V CB 1.912 33.528 31.823 -0.345 0.000 0.996 256 V HN 0.612 nan 8.190 nan 0.000 0.425 257 L N 5.200 125.981 121.223 -0.738 0.000 2.289 257 L HA 0.613 4.942 4.340 -0.017 0.000 0.285 257 L C -0.366 176.106 176.870 -0.664 0.000 1.049 257 L CA -0.525 53.922 54.840 -0.656 0.000 0.804 257 L CB 0.872 42.471 42.059 -0.767 0.000 1.195 257 L HN 0.609 nan 8.230 nan 0.000 0.428 258 H N 3.674 122.579 119.070 -0.275 0.000 2.569 258 H HA 0.269 4.815 4.556 -0.017 0.000 0.357 258 H C -0.190 174.932 175.328 -0.343 0.000 1.153 258 H CA -0.736 55.128 56.048 -0.306 0.000 1.193 258 H CB 1.866 31.412 29.762 -0.360 0.000 1.602 258 H HN 0.559 nan 8.280 nan 0.000 0.523 259 N N 1.481 120.047 118.700 -0.224 0.000 2.705 259 N HA -0.200 4.530 4.740 -0.017 0.000 0.255 259 N C -0.334 175.114 175.510 -0.102 0.000 1.008 259 N CA 0.499 53.429 53.050 -0.201 0.000 0.742 259 N CB -1.262 37.048 38.487 -0.293 0.000 0.906 259 N HN 0.548 nan 8.380 nan 0.000 0.541 260 I N 0.523 121.040 120.570 -0.089 0.000 2.517 260 I HA 0.262 4.422 4.170 -0.017 0.000 0.285 260 I C 1.002 177.181 176.117 0.103 0.000 1.106 260 I CA 0.173 61.480 61.300 0.012 0.000 1.402 260 I CB 0.562 38.543 38.000 -0.032 0.000 1.399 260 I HN 0.341 nan 8.210 nan 0.000 0.535 261 A N 6.854 129.803 122.820 0.215 0.000 2.566 261 A HA 0.793 5.103 4.320 -0.017 0.000 0.292 261 A C -1.596 176.161 177.584 0.288 0.000 1.112 261 A CA -0.448 51.714 52.037 0.208 0.000 0.707 261 A CB 1.576 20.646 19.000 0.117 0.000 1.302 261 A HN 0.511 nan 8.150 nan 0.000 0.409 262 F N 0.347 120.327 119.950 0.050 0.000 2.518 262 F HA 0.657 5.174 4.527 -0.017 0.000 0.323 262 F C 0.244 176.073 175.800 0.049 0.000 1.129 262 F CA -0.626 57.338 58.000 -0.061 0.000 0.920 262 F CB 1.878 40.794 39.000 -0.139 0.000 1.160 262 F HN 0.555 nan 8.300 nan 0.000 0.440 263 R N 4.027 124.468 120.500 -0.099 0.000 2.429 263 R HA 0.160 4.489 4.340 -0.017 0.000 0.302 263 R C -1.189 175.221 176.300 0.182 0.000 1.268 263 R CA -0.002 56.107 56.100 0.016 0.000 1.090 263 R CB -0.614 29.624 30.300 -0.104 0.000 1.102 263 R HN 0.472 nan 8.270 nan 0.000 0.522 264 D N 3.808 124.405 120.400 0.328 0.000 2.479 264 D HA 0.356 4.986 4.640 -0.017 0.000 0.218 264 D C 0.815 177.212 176.300 0.163 0.000 1.131 264 D CA 1.032 55.240 54.000 0.347 0.000 0.916 264 D CB 0.508 41.544 40.800 0.393 0.000 1.022 264 D HN 0.678 nan 8.370 nan 0.000 0.515 265 G N 4.546 113.414 108.800 0.113 0.000 2.543 265 G HA2 -0.320 3.630 3.960 -0.017 0.000 0.286 265 G HA3 -0.320 3.630 3.960 -0.017 0.000 0.286 265 G C 0.733 175.659 174.900 0.044 0.000 1.153 265 G CA 0.319 45.456 45.100 0.062 0.000 0.968 265 G HN 0.521 nan 8.290 nan 0.000 0.544 266 D N 1.742 122.162 120.400 0.034 0.000 2.354 266 D HA 0.081 4.711 4.640 -0.017 0.000 0.209 266 D C 1.194 177.510 176.300 0.027 0.000 1.015 266 D CA 0.510 54.524 54.000 0.024 0.000 0.867 266 D CB 0.263 41.072 40.800 0.015 0.000 0.933 266 D HN 0.457 nan 8.370 nan 0.000 0.520 267 R N 1.044 121.567 120.500 0.038 0.000 2.265 267 R HA 0.392 4.721 4.340 -0.017 0.000 0.314 267 R C -0.328 176.012 176.300 0.066 0.000 1.053 267 R CA -0.659 55.464 56.100 0.037 0.000 0.931 267 R CB 1.177 31.489 30.300 0.020 0.000 1.024 267 R HN -0.103 nan 8.270 nan 0.000 0.457 268 L N 3.760 125.016 121.223 0.054 0.000 2.259 268 L HA 0.287 4.616 4.340 -0.017 0.000 0.288 268 L C -0.529 176.389 176.870 0.080 0.000 1.051 268 L CA -0.194 54.690 54.840 0.074 0.000 0.824 268 L CB 0.400 42.491 42.059 0.054 0.000 1.206 268 L HN 0.511 nan 8.230 nan 0.000 0.429 269 R N 6.996 127.582 120.500 0.143 0.000 2.229 269 R HA 0.446 4.776 4.340 -0.017 0.000 0.328 269 R C -2.337 174.071 176.300 0.180 0.000 1.009 269 R CA -1.754 54.436 56.100 0.149 0.000 0.864 269 R CB 0.647 31.058 30.300 0.185 0.000 1.085 269 R HN 0.485 nan 8.270 nan 0.000 0.453 270 P HA 0.098 nan 4.420 nan 0.000 0.274 270 P C -0.110 177.199 177.300 0.015 0.000 1.231 270 P CA 0.015 63.118 63.100 0.005 0.000 0.790 270 P CB 1.263 32.885 31.700 -0.130 0.000 0.951 271 I N 0.887 121.408 120.570 -0.082 0.000 3.746 271 I HA 0.246 4.406 4.170 -0.017 0.000 0.262 271 I C 0.743 176.734 176.117 -0.210 0.000 1.153 271 I CA 0.234 61.385 61.300 -0.249 0.000 1.395 271 I CB 0.374 38.108 38.000 -0.444 0.000 1.589 271 I HN 0.137 nan 8.210 nan 0.000 0.441 272 I N 1.243 121.721 120.570 -0.153 0.000 2.478 272 I HA 0.167 4.327 4.170 -0.017 0.000 0.287 272 I C 0.354 176.400 176.117 -0.118 0.000 1.042 272 I CA -0.250 60.973 61.300 -0.128 0.000 1.067 272 I CB 2.049 39.972 38.000 -0.128 0.000 1.233 272 I HN 0.017 nan 8.210 nan 0.000 0.431 273 N N 4.864 123.518 118.700 -0.076 0.000 2.142 273 N HA -0.007 4.723 4.740 -0.017 0.000 0.186 273 N C 0.427 175.895 175.510 -0.070 0.000 1.023 273 N CA 1.479 54.510 53.050 -0.032 0.000 0.852 273 N CB 0.383 38.971 38.487 0.168 0.000 0.998 273 N HN 0.543 nan 8.380 nan 0.000 0.424 274 R N -0.691 119.742 120.500 -0.112 0.000 2.535 274 R HA 0.603 4.932 4.340 -0.017 0.000 0.274 274 R C -2.077 174.060 176.300 -0.270 0.000 1.090 274 R CA -0.646 55.326 56.100 -0.214 0.000 0.930 274 R CB 1.530 31.757 30.300 -0.121 0.000 1.223 274 R HN 0.103 nan 8.270 nan 0.000 0.441 275 A N 2.190 124.766 122.820 -0.407 0.000 2.374 275 A HA 0.733 5.043 4.320 -0.017 0.000 0.305 275 A C -1.067 176.245 177.584 -0.453 0.000 1.053 275 A CA -0.431 51.364 52.037 -0.403 0.000 0.726 275 A CB 1.611 20.264 19.000 -0.577 0.000 1.229 275 A HN 0.821 nan 8.150 nan 0.000 0.431 276 S N 1.211 116.829 115.700 -0.135 0.000 2.615 276 S HA 0.683 5.143 4.470 -0.017 0.000 0.269 276 S C -1.210 173.490 174.600 0.167 0.000 1.161 276 S CA -0.715 57.492 58.200 0.012 0.000 0.817 276 S CB 0.892 64.031 63.200 -0.102 0.000 1.131 276 S HN 0.574 nan 8.310 nan 0.000 0.467 277 I N 2.149 122.822 120.570 0.171 0.000 2.307 277 I HA 0.428 4.588 4.170 -0.017 0.000 0.287 277 I C 1.264 177.446 176.117 0.108 0.000 1.054 277 I CA -0.551 60.836 61.300 0.145 0.000 1.218 277 I CB 0.292 38.424 38.000 0.219 0.000 1.398 277 I HN 0.988 nan 8.210 nan 0.000 0.475 278 A N 5.071 127.948 122.820 0.096 0.000 2.169 278 A HA 0.132 4.441 4.320 -0.017 0.000 0.212 278 A C 0.720 178.359 177.584 0.093 0.000 1.153 278 A CA 0.844 52.965 52.037 0.139 0.000 0.756 278 A CB 0.121 19.222 19.000 0.169 0.000 0.813 278 A HN 0.644 nan 8.150 nan 0.000 0.471 279 E N -1.950 118.247 120.200 -0.005 0.000 2.388 279 E HA 0.620 4.960 4.350 -0.017 0.000 0.281 279 E C -1.482 175.112 176.600 -0.011 0.000 1.046 279 E CA -0.254 56.103 56.400 -0.072 0.000 0.825 279 E CB 0.842 30.321 29.700 -0.369 0.000 1.243 279 E HN 0.157 nan 8.360 nan 0.000 0.438 280 M N 2.469 122.092 119.600 0.038 0.000 2.324 280 M HA 0.542 5.012 4.480 -0.017 0.000 0.288 280 M C -1.638 174.603 176.300 -0.099 0.000 1.097 280 M CA -1.083 54.135 55.300 -0.136 0.000 0.928 280 M CB 2.318 34.821 32.600 -0.163 0.000 1.648 280 M HN 0.389 nan 8.290 nan 0.000 0.460 281 V N 4.309 124.062 119.914 -0.268 0.000 2.709 281 V HA 0.686 4.796 4.120 -0.017 0.000 0.308 281 V C -1.539 174.290 176.094 -0.442 0.000 1.062 281 V CA -0.395 61.605 62.300 -0.499 0.000 0.901 281 V CB 2.427 33.814 31.823 -0.726 0.000 1.003 281 V HN 0.614 nan 8.190 nan 0.000 0.425 282 V N 8.778 128.454 119.914 -0.396 0.000 2.276 282 V HA 0.432 4.542 4.120 -0.017 0.000 0.268 282 V C -2.409 173.406 176.094 -0.465 0.000 1.032 282 V CA -1.251 60.827 62.300 -0.370 0.000 0.810 282 V CB 1.438 33.220 31.823 -0.068 0.000 1.060 282 V HN 0.812 nan 8.190 nan 0.000 0.446 283 P HA 0.369 nan 4.420 nan 0.000 0.288 283 P C -1.341 175.709 177.300 -0.416 0.000 1.267 283 P CA -0.419 62.460 63.100 -0.369 0.000 0.815 283 P CB 1.292 32.806 31.700 -0.310 0.000 0.989 284 Y N 0.330 120.452 120.300 -0.297 0.000 2.361 284 Y HA 0.471 5.011 4.550 -0.017 0.000 0.332 284 Y C 1.731 177.549 175.900 -0.137 0.000 1.101 284 Y CA 0.293 58.269 58.100 -0.207 0.000 1.137 284 Y CB 1.494 39.766 38.460 -0.313 0.000 1.207 284 Y HN 0.485 nan 8.280 nan 0.000 0.463 285 G N 1.132 109.952 108.800 0.034 0.000 3.605 285 G HA2 -0.008 3.941 3.960 -0.017 0.000 0.277 285 G HA3 -0.008 3.941 3.960 -0.017 0.000 0.277 285 G C -0.637 174.293 174.900 0.049 0.000 1.093 285 G CA -0.154 44.975 45.100 0.048 0.000 0.821 285 G HN 0.504 nan 8.290 nan 0.000 0.532 286 D N 1.243 121.657 120.400 0.023 0.000 2.313 286 D HA 0.250 4.879 4.640 -0.017 0.000 0.239 286 D C -1.248 175.020 176.300 -0.052 0.000 1.142 286 D CA -2.380 51.599 54.000 -0.034 0.000 0.847 286 D CB 2.242 43.018 40.800 -0.040 0.000 1.082 286 D HN 0.036 nan 8.370 nan 0.000 0.480 287 P HA -0.015 nan 4.420 nan 0.000 0.249 287 P C 0.308 177.591 177.300 -0.028 0.000 1.241 287 P CA -0.075 63.008 63.100 -0.029 0.000 0.781 287 P CB 0.102 31.798 31.700 -0.008 0.000 1.088 288 S N 1.537 117.213 115.700 -0.041 0.000 2.549 288 S HA 0.129 4.589 4.470 -0.017 0.000 0.283 288 S C -1.377 173.220 174.600 -0.005 0.000 1.320 288 S CA -0.953 57.235 58.200 -0.020 0.000 1.058 288 S CB 0.396 63.566 63.200 -0.049 0.000 0.882 288 S HN -0.086 nan 8.310 nan 0.000 0.498 289 P HA -0.067 nan 4.420 nan 0.000 0.221 289 P C 1.159 178.594 177.300 0.224 0.000 1.145 289 P CA 0.598 63.774 63.100 0.127 0.000 0.795 289 P CB 0.041 31.822 31.700 0.135 0.000 0.775 290 I N -0.945 119.717 120.570 0.153 0.000 2.394 290 I HA -0.120 4.039 4.170 -0.017 0.000 0.251 290 I C 1.742 177.987 176.117 0.214 0.000 1.136 290 I CA 1.601 63.036 61.300 0.224 0.000 1.425 290 I CB -0.915 37.130 38.000 0.075 0.000 1.079 290 I HN 0.042 nan 8.210 nan 0.000 0.425 291 R N -0.554 119.868 120.500 -0.130 0.000 2.541 291 R HA 0.104 4.434 4.340 -0.017 0.000 0.332 291 R C 1.910 177.762 176.300 -0.746 0.000 0.951 291 R CA 0.467 56.217 56.100 -0.584 0.000 1.136 291 R CB 0.308 30.378 30.300 -0.383 0.000 1.449 291 R HN 0.275 nan 8.270 nan 0.000 0.531 292 S N 0.708 116.146 115.700 -0.436 0.000 2.507 292 S HA -0.106 4.354 4.470 -0.017 0.000 0.235 292 S C 1.400 175.747 174.600 -0.422 0.000 0.988 292 S CA 0.354 58.363 58.200 -0.319 0.000 0.944 292 S CB -0.361 62.754 63.200 -0.142 0.000 0.762 292 S HN 0.606 nan 8.310 nan 0.000 0.526 293 W N 0.455 121.546 121.300 -0.349 0.000 3.211 293 W HA 0.386 5.035 4.660 -0.017 0.000 0.292 293 W C 0.474 176.946 176.519 -0.078 0.000 1.268 293 W CA -0.669 56.310 57.345 -0.609 0.000 1.702 293 W CB -0.650 28.359 29.460 -0.751 0.000 1.092 293 W HN 0.264 nan 8.180 nan 0.000 0.643 294 Q N 2.928 122.152 119.800 -0.961 0.000 2.263 294 Q HA 0.079 4.409 4.340 -0.017 0.000 0.270 294 Q C -0.723 175.014 176.000 -0.437 0.000 1.104 294 Q CA 0.780 56.054 55.803 -0.882 0.000 0.909 294 Q CB 0.012 27.978 28.738 -1.286 0.000 1.214 294 Q HN 0.078 nan 8.270 nan 0.000 0.400 295 N N 4.465 122.956 118.700 -0.349 0.000 2.578 295 N HA 0.160 4.890 4.740 -0.017 0.000 0.282 295 N C -1.833 173.495 175.510 -0.305 0.000 1.119 295 N CA -0.419 52.400 53.050 -0.385 0.000 0.948 295 N CB 1.161 39.562 38.487 -0.143 0.000 1.546 295 N HN 0.356 nan 8.380 nan 0.000 0.525 296 Y N 0.047 120.348 120.300 0.001 0.000 2.468 296 Y HA 0.615 5.155 4.550 -0.017 0.000 0.342 296 Y C -0.293 175.563 175.900 -0.073 0.000 1.021 296 Y CA -1.109 57.048 58.100 0.095 0.000 1.079 296 Y CB 1.105 39.763 38.460 0.330 0.000 1.226 296 Y HN 0.284 nan 8.280 nan 0.000 0.460 297 F N 2.417 122.447 119.950 0.134 0.000 2.300 297 F HA 0.281 4.797 4.527 -0.017 0.000 0.364 297 F C 0.933 176.792 175.800 0.099 0.000 1.090 297 F CA -0.827 57.218 58.000 0.074 0.000 1.200 297 F CB 0.437 39.442 39.000 0.007 0.000 1.493 297 F HN 0.670 nan 8.300 nan 0.000 0.518 298 D N 0.746 121.364 120.400 0.364 0.000 2.158 298 D HA -0.164 4.466 4.640 -0.017 0.000 0.197 298 D C 1.832 178.362 176.300 0.383 0.000 0.995 298 D CA 1.863 56.167 54.000 0.508 0.000 0.846 298 D CB 0.197 41.273 40.800 0.461 0.000 0.941 298 D HN 0.411 nan 8.370 nan 0.000 0.456 299 T N -0.106 114.593 114.554 0.242 0.000 2.735 299 T HA -0.023 4.317 4.350 -0.017 0.000 0.256 299 T C 2.011 176.741 174.700 0.050 0.000 1.042 299 T CA 1.316 63.500 62.100 0.140 0.000 1.147 299 T CB -0.563 68.355 68.868 0.082 0.000 0.865 299 T HN 0.217 nan 8.240 nan 0.000 0.421 300 G N 0.999 109.812 108.800 0.021 0.000 2.402 300 G HA2 -0.138 3.811 3.960 -0.017 0.000 0.216 300 G HA3 -0.138 3.811 3.960 -0.017 0.000 0.216 300 G C 1.475 176.321 174.900 -0.090 0.000 1.162 300 G CA 0.610 45.635 45.100 -0.125 0.000 0.777 300 G HN 0.496 nan 8.290 nan 0.000 0.539 301 E N -0.990 119.188 120.200 -0.036 0.000 2.102 301 E HA 0.070 4.410 4.350 -0.017 0.000 0.190 301 E C 1.966 178.546 176.600 -0.034 0.000 0.971 301 E CA 0.482 56.808 56.400 -0.124 0.000 0.821 301 E CB -0.008 29.524 29.700 -0.282 0.000 0.777 301 E HN 0.657 nan 8.360 nan 0.000 0.460 302 Y N -0.032 120.435 120.300 0.279 0.000 2.503 302 Y HA 0.253 4.793 4.550 -0.017 0.000 0.277 302 Y C 0.065 176.171 175.900 0.344 0.000 1.102 302 Y CA -0.308 58.027 58.100 0.392 0.000 1.261 302 Y CB 0.646 39.398 38.460 0.486 0.000 1.096 302 Y HN -0.165 nan 8.280 nan 0.000 0.546 303 L N 0.873 122.305 121.223 0.348 0.000 2.939 303 L HA -0.210 4.120 4.340 -0.017 0.000 0.705 303 L C 1.110 178.107 176.870 0.212 0.000 1.098 303 L CA -0.148 54.804 54.840 0.187 0.000 1.347 303 L CB -1.740 40.388 42.059 0.115 0.000 1.956 303 L HN 0.191 nan 8.230 nan 0.000 0.922 304 V N -0.719 119.349 119.914 0.257 0.000 2.453 304 V HA -0.196 3.914 4.120 -0.017 0.000 0.252 304 V C 2.255 178.510 176.094 0.269 0.000 1.068 304 V CA 2.362 64.866 62.300 0.340 0.000 1.070 304 V CB -0.739 31.276 31.823 0.321 0.000 0.664 304 V HN 0.836 nan 8.190 nan 0.000 0.461 305 G N 1.049 109.867 108.800 0.030 0.000 2.422 305 G HA2 -0.297 3.652 3.960 -0.017 0.000 0.218 305 G HA3 -0.297 3.652 3.960 -0.017 0.000 0.218 305 G C 1.577 176.563 174.900 0.143 0.000 1.146 305 G CA 0.973 46.025 45.100 -0.079 0.000 0.769 305 G HN 0.824 nan 8.290 nan 0.000 0.547 306 Q N -0.943 118.822 119.800 -0.059 0.000 2.291 306 Q HA -0.065 4.265 4.340 -0.017 0.000 0.205 306 Q C 1.245 177.099 176.000 -0.243 0.000 0.970 306 Q CA 1.000 56.683 55.803 -0.199 0.000 0.876 306 Q CB -0.325 28.167 28.738 -0.410 0.000 0.935 306 Q HN 0.520 nan 8.270 nan 0.000 0.455 307 Y N 0.803 121.261 120.300 0.263 0.000 2.493 307 Y HA 0.477 5.016 4.550 -0.017 0.000 0.275 307 Y C 0.667 176.745 175.900 0.297 0.000 1.183 307 Y CA -0.876 57.372 58.100 0.247 0.000 1.258 307 Y CB -0.203 38.389 38.460 0.220 0.000 1.108 307 Y HN 0.165 nan 8.280 nan 0.000 0.521 308 A N 1.017 124.100 122.820 0.438 0.000 2.546 308 A HA 0.060 4.369 4.320 -0.017 0.000 0.243 308 A C 0.374 178.164 177.584 0.344 0.000 1.063 308 A CA -0.214 52.123 52.037 0.500 0.000 0.757 308 A CB -0.310 19.000 19.000 0.517 0.000 0.991 308 A HN 0.606 nan 8.150 nan 0.000 0.503 309 N N 0.726 119.631 118.700 0.342 0.000 2.424 309 N HA 0.316 5.045 4.740 -0.017 0.000 0.257 309 N C -0.367 175.244 175.510 0.168 0.000 1.250 309 N CA -0.328 52.857 53.050 0.225 0.000 0.946 309 N CB 0.570 39.175 38.487 0.197 0.000 1.175 309 N HN 0.533 nan 8.380 nan 0.000 0.477 310 S N 0.983 116.740 115.700 0.095 0.000 2.452 310 S HA 0.266 4.725 4.470 -0.017 0.000 0.284 310 S C -0.073 174.549 174.600 0.038 0.000 1.171 310 S CA -0.654 57.566 58.200 0.035 0.000 1.064 310 S CB 0.055 63.249 63.200 -0.009 0.000 0.967 310 S HN 0.256 nan 8.310 nan 0.000 0.484 311 L N 3.471 124.731 121.223 0.061 0.000 2.349 311 L HA 0.369 4.699 4.340 -0.017 0.000 0.275 311 L C 0.493 177.392 176.870 0.049 0.000 1.115 311 L CA -0.610 54.298 54.840 0.113 0.000 0.820 311 L CB 0.449 42.672 42.059 0.273 0.000 1.135 311 L HN 0.420 nan 8.230 nan 0.000 0.445 312 E N 2.801 123.036 120.200 0.059 0.000 2.227 312 E HA 0.252 4.592 4.350 -0.017 0.000 0.282 312 E C -0.564 176.103 176.600 0.112 0.000 1.015 312 E CA -0.926 55.499 56.400 0.043 0.000 0.823 312 E CB 2.037 31.747 29.700 0.016 0.000 1.081 312 E HN 0.259 nan 8.360 nan 0.000 0.396 313 L N 1.980 123.279 121.223 0.126 0.000 2.455 313 L HA 0.244 4.574 4.340 -0.017 0.000 0.272 313 L C 1.349 178.265 176.870 0.078 0.000 1.174 313 L CA 1.689 56.624 54.840 0.159 0.000 0.869 313 L CB 0.237 42.395 42.059 0.166 0.000 1.130 313 L HN 0.808 nan 8.230 nan 0.000 0.474 314 G N 2.077 110.910 108.800 0.056 0.000 2.336 314 G HA2 -0.346 3.604 3.960 -0.017 0.000 0.233 314 G HA3 -0.346 3.604 3.960 -0.017 0.000 0.233 314 G C 0.947 175.860 174.900 0.021 0.000 1.053 314 G CA 0.397 45.515 45.100 0.031 0.000 0.625 314 G HN 0.750 nan 8.290 nan 0.000 0.511 315 C N -0.020 119.295 119.300 0.025 0.000 2.587 315 C HA 0.298 4.747 4.460 -0.017 0.000 0.287 315 C C 2.271 177.264 174.990 0.006 0.000 1.374 315 C CA 1.396 60.419 59.018 0.008 0.000 1.770 315 C CB -0.628 27.112 27.740 -0.001 0.000 2.137 315 C HN 0.545 nan 8.230 nan 0.000 0.550 316 D N -0.254 120.161 120.400 0.026 0.000 2.216 316 D HA 0.048 4.677 4.640 -0.017 0.000 0.208 316 D C 0.141 176.477 176.300 0.061 0.000 0.960 316 D CA 1.047 55.070 54.000 0.038 0.000 0.861 316 D CB 0.158 40.995 40.800 0.061 0.000 0.985 316 D HN 0.399 nan 8.370 nan 0.000 0.493 317 c N 1.913 120.532 118.600 0.032 0.000 2.407 317 c HA 0.439 4.999 4.570 -0.017 0.000 0.328 317 c C -0.370 173.653 174.090 -0.112 0.000 1.137 317 c CA -1.099 55.172 56.329 -0.097 0.000 1.390 317 c CB 0.678 43.081 42.510 -0.179 0.000 1.989 317 c HN 0.157 nan 8.230 nan 0.000 0.432 318 L N 4.246 125.402 121.223 -0.113 0.000 2.307 318 L HA 0.918 5.247 4.340 -0.017 0.000 0.282 318 L C 0.556 177.390 176.870 -0.060 0.000 1.051 318 L CA 1.775 56.586 54.840 -0.050 0.000 0.804 318 L CB 0.642 42.701 42.059 0.000 0.000 1.197 318 L HN 1.075 nan 8.230 nan 0.000 0.431 319 G N 3.644 112.435 108.800 -0.014 0.000 2.396 319 G HA2 -0.134 3.815 3.960 -0.017 0.000 0.254 319 G HA3 -0.134 3.815 3.960 -0.017 0.000 0.254 319 G C -1.111 173.801 174.900 0.021 0.000 1.248 319 G CA -0.304 44.811 45.100 0.026 0.000 1.033 319 G HN 0.714 nan 8.290 nan 0.000 0.502 320 D N 1.373 121.809 120.400 0.061 0.000 2.422 320 D HA 0.401 5.031 4.640 -0.017 0.000 0.227 320 D C 0.349 176.693 176.300 0.072 0.000 1.190 320 D CA -0.145 53.890 54.000 0.059 0.000 0.905 320 D CB 0.026 40.864 40.800 0.064 0.000 1.034 320 D HN 0.368 nan 8.370 nan 0.000 0.507 321 I N 2.481 123.044 120.570 -0.011 0.000 2.437 321 I HA 0.227 4.387 4.170 -0.017 0.000 0.298 321 I C 0.670 176.731 176.117 -0.093 0.000 0.984 321 I CA -0.535 60.691 61.300 -0.124 0.000 1.214 321 I CB 1.545 39.279 38.000 -0.443 0.000 1.365 321 I HN 0.118 nan 8.210 nan 0.000 0.469 322 T N 6.030 120.569 114.554 -0.026 0.000 2.791 322 T HA 0.506 4.846 4.350 -0.017 0.000 0.288 322 T C -0.575 174.098 174.700 -0.046 0.000 0.999 322 T CA -0.296 61.852 62.100 0.080 0.000 0.952 322 T CB 0.467 69.530 68.868 0.324 0.000 0.938 322 T HN 0.166 nan 8.240 nan 0.000 0.444 323 Y N 2.055 122.410 120.300 0.091 0.000 2.376 323 Y HA 0.644 5.184 4.550 -0.017 0.000 0.325 323 Y C 0.265 176.186 175.900 0.034 0.000 1.199 323 Y CA -1.188 56.944 58.100 0.053 0.000 1.206 323 Y CB 1.026 39.507 38.460 0.034 0.000 1.229 323 Y HN 0.366 nan 8.280 nan 0.000 0.480 324 L N 1.341 122.681 121.223 0.195 0.000 2.362 324 L HA 0.520 4.850 4.340 -0.017 0.000 0.271 324 L C -0.647 176.234 176.870 0.017 0.000 1.002 324 L CA -0.674 54.211 54.840 0.075 0.000 0.818 324 L CB 2.036 44.109 42.059 0.024 0.000 1.298 324 L HN 0.535 nan 8.230 nan 0.000 0.420 325 S N 3.168 118.848 115.700 -0.034 0.000 2.406 325 S HA 0.334 4.794 4.470 -0.017 0.000 0.224 325 S C -2.375 172.139 174.600 -0.144 0.000 1.426 325 S CA -1.040 57.104 58.200 -0.095 0.000 1.179 325 S CB 0.823 63.987 63.200 -0.060 0.000 1.042 325 S HN 0.377 nan 8.310 nan 0.000 0.479 326 P HA 0.191 nan 4.420 nan 0.000 0.269 326 P C -0.700 176.494 177.300 -0.175 0.000 1.215 326 P CA -0.267 62.655 63.100 -0.296 0.000 0.780 326 P CB 0.717 31.957 31.700 -0.768 0.000 0.898 327 V N 4.079 123.958 119.914 -0.058 0.000 2.435 327 V HA 0.448 4.558 4.120 -0.017 0.000 0.290 327 V C 0.726 176.839 176.094 0.031 0.000 1.030 327 V CA -0.524 61.767 62.300 -0.015 0.000 0.881 327 V CB 1.086 32.910 31.823 0.003 0.000 0.983 327 V HN 0.492 nan 8.190 nan 0.000 0.445 328 I N 0.972 121.554 120.570 0.021 0.000 3.206 328 I HA 0.797 4.956 4.170 -0.017 0.000 0.313 328 I C -0.120 175.990 176.117 -0.012 0.000 1.103 328 I CA -0.687 60.627 61.300 0.023 0.000 0.985 328 I CB 2.281 40.305 38.000 0.040 0.000 1.240 328 I HN 0.506 nan 8.210 nan 0.000 0.464 329 S N 0.959 116.633 115.700 -0.042 0.000 2.585 329 S HA 0.366 4.826 4.470 -0.017 0.000 0.277 329 S C -0.547 174.024 174.600 -0.049 0.000 1.241 329 S CA -0.540 57.629 58.200 -0.052 0.000 1.041 329 S CB 0.700 63.850 63.200 -0.083 0.000 0.987 329 S HN 0.804 nan 8.310 nan 0.000 0.512 330 D N 2.571 122.953 120.400 -0.031 0.000 2.478 330 D HA 0.425 5.054 4.640 -0.017 0.000 0.274 330 D C 1.239 177.459 176.300 -0.134 0.000 1.234 330 D CA -0.125 53.849 54.000 -0.044 0.000 1.069 330 D CB -0.089 40.722 40.800 0.019 0.000 1.113 330 D HN 0.477 nan 8.370 nan 0.000 0.571 331 A N -1.209 121.439 122.820 -0.287 0.000 2.125 331 A HA -0.030 4.279 4.320 -0.017 0.000 0.219 331 A C 1.486 178.671 177.584 -0.665 0.000 1.156 331 A CA 0.826 52.550 52.037 -0.520 0.000 0.671 331 A CB -0.892 17.672 19.000 -0.726 0.000 0.794 331 A HN 0.450 nan 8.150 nan 0.000 0.459 332 F N -1.693 118.267 119.950 0.017 0.000 2.678 332 F HA 0.405 4.922 4.527 -0.017 0.000 0.305 332 F C 1.773 177.568 175.800 -0.008 0.000 1.090 332 F CA 0.149 58.154 58.000 0.008 0.000 1.272 332 F CB 0.179 39.183 39.000 0.007 0.000 1.060 332 F HN 0.305 nan 8.300 nan 0.000 0.576 333 G N 0.457 109.298 108.800 0.068 0.000 2.176 333 G HA2 -0.273 3.676 3.960 -0.017 0.000 0.232 333 G HA3 -0.273 3.676 3.960 -0.017 0.000 0.232 333 G C -0.027 174.883 174.900 0.016 0.000 0.986 333 G CA -0.348 44.764 45.100 0.020 0.000 0.643 333 G HN 0.415 nan 8.290 nan 0.000 0.522 334 N N 2.559 121.295 118.700 0.060 0.000 2.529 334 N HA 0.507 5.236 4.740 -0.017 0.000 0.278 334 N C -2.285 173.232 175.510 0.012 0.000 1.146 334 N CA -1.065 52.009 53.050 0.039 0.000 0.980 334 N CB 1.406 39.937 38.487 0.074 0.000 1.124 334 N HN 0.146 nan 8.380 nan 0.000 0.458 335 P HA 0.073 nan 4.420 nan 0.000 0.271 335 P C -0.941 176.360 177.300 0.003 0.000 1.216 335 P CA 0.023 63.117 63.100 -0.011 0.000 0.776 335 P CB 0.921 32.610 31.700 -0.018 0.000 0.881 336 R N 2.161 122.662 120.500 0.001 0.000 2.538 336 R HA 0.243 4.573 4.340 -0.017 0.000 0.292 336 R C -0.703 175.593 176.300 -0.006 0.000 1.008 336 R CA -0.528 55.575 56.100 0.006 0.000 0.896 336 R CB 1.846 32.155 30.300 0.014 0.000 1.187 336 R HN 0.583 nan 8.270 nan 0.000 0.440 337 E N 5.271 125.463 120.200 -0.012 0.000 2.216 337 E HA 0.244 4.583 4.350 -0.017 0.000 0.279 337 E C -0.556 176.019 176.600 -0.042 0.000 0.997 337 E CA -0.505 55.874 56.400 -0.034 0.000 0.817 337 E CB 1.029 30.710 29.700 -0.031 0.000 1.096 337 E HN 0.520 nan 8.360 nan 0.000 0.393 338 I N 5.286 125.806 120.570 -0.084 0.000 2.282 338 I HA 0.213 4.373 4.170 -0.017 0.000 0.290 338 I C 0.575 176.635 176.117 -0.095 0.000 1.090 338 I CA -0.433 60.818 61.300 -0.083 0.000 1.231 338 I CB 0.446 38.360 38.000 -0.144 0.000 1.434 338 I HN 0.398 nan 8.210 nan 0.000 0.487 339 R N 6.363 126.822 120.500 -0.067 0.000 2.484 339 R HA 0.022 4.352 4.340 -0.017 0.000 0.293 339 R C 0.321 176.548 176.300 -0.121 0.000 1.023 339 R CA 0.147 56.194 56.100 -0.088 0.000 1.037 339 R CB 0.227 30.480 30.300 -0.079 0.000 0.951 339 R HN 0.585 nan 8.270 nan 0.000 0.418 340 N N 2.447 121.052 118.700 -0.158 0.000 2.727 340 N HA -0.176 4.554 4.740 -0.017 0.000 0.249 340 N C 0.466 175.969 175.510 -0.010 0.000 1.048 340 N CA 1.165 54.071 53.050 -0.239 0.000 0.714 340 N CB -1.181 36.871 38.487 -0.726 0.000 0.959 340 N HN 0.901 nan 8.380 nan 0.000 0.544 341 G N -1.093 107.704 108.800 -0.004 0.000 2.712 341 G HA2 0.265 4.215 3.960 -0.017 0.000 0.212 341 G HA3 0.265 4.215 3.960 -0.017 0.000 0.212 341 G C 0.508 175.482 174.900 0.122 0.000 1.142 341 G CA 0.212 45.327 45.100 0.025 0.000 0.789 341 G HN 0.444 nan 8.290 nan 0.000 0.535 342 I N 0.229 120.887 120.570 0.146 0.000 2.499 342 I HA 0.306 4.465 4.170 -0.017 0.000 0.288 342 I C -0.814 175.421 176.117 0.197 0.000 1.048 342 I CA -0.898 60.506 61.300 0.174 0.000 1.062 342 I CB 2.539 40.579 38.000 0.066 0.000 1.238 342 I HN -0.202 nan 8.210 nan 0.000 0.426 343 c N 6.816 125.492 118.600 0.128 0.000 2.341 343 c HA 0.682 5.241 4.570 -0.017 0.000 0.338 343 c C 0.035 174.122 174.090 -0.005 0.000 1.257 343 c CA -0.494 55.807 56.329 -0.046 0.000 1.883 343 c CB 0.712 43.201 42.510 -0.034 0.000 2.334 343 c HN 0.653 nan 8.230 nan 0.000 0.524 344 M N 4.199 123.760 119.600 -0.066 0.000 2.204 344 M HA 0.446 4.916 4.480 -0.017 0.000 0.293 344 M C -0.836 175.443 176.300 -0.034 0.000 0.994 344 M CA -0.131 55.075 55.300 -0.156 0.000 0.925 344 M CB 1.598 34.028 32.600 -0.283 0.000 1.577 344 M HN 1.060 nan 8.290 nan 0.000 0.439 345 H N -0.027 118.849 119.070 -0.323 0.000 3.003 345 H HA 0.593 5.139 4.556 -0.017 0.000 0.327 345 H C -1.900 173.325 175.328 -0.172 0.000 1.353 345 H CA -1.309 54.705 56.048 -0.056 0.000 1.142 345 H CB 1.264 31.029 29.762 0.005 0.000 1.864 345 H HN 0.605 nan 8.280 nan 0.000 0.529 346 E N 1.138 121.337 120.200 -0.003 0.000 2.195 346 E HA 0.405 4.745 4.350 -0.017 0.000 0.271 346 E C -1.058 175.542 176.600 0.000 0.000 0.923 346 E CA -1.095 55.212 56.400 -0.156 0.000 0.790 346 E CB 2.495 32.281 29.700 0.143 0.000 1.155 346 E HN 0.763 nan 8.360 nan 0.000 0.402 347 E N 2.024 122.193 120.200 -0.051 0.000 2.288 347 E HA 0.267 4.606 4.350 -0.017 0.000 0.268 347 E C -1.246 175.471 176.600 0.197 0.000 0.885 347 E CA -1.076 55.383 56.400 0.099 0.000 0.767 347 E CB 1.545 31.306 29.700 0.101 0.000 1.220 347 E HN 0.517 nan 8.360 nan 0.000 0.427 348 D N 1.677 122.208 120.400 0.219 0.000 2.455 348 D HA -0.092 4.537 4.640 -0.017 0.000 0.241 348 D C -1.001 175.510 176.300 0.353 0.000 1.138 348 D CA 0.172 54.312 54.000 0.233 0.000 0.877 348 D CB 0.506 41.391 40.800 0.141 0.000 1.187 348 D HN 0.543 nan 8.370 nan 0.000 0.451 349 W N 6.009 127.354 121.300 0.076 0.000 1.340 349 W HA 0.371 5.021 4.660 -0.018 0.000 0.301 349 W C 0.385 176.941 176.519 0.062 0.000 0.834 349 W CA 0.045 57.435 57.345 0.076 0.000 2.473 349 W CB 0.074 29.628 29.460 0.157 0.000 1.837 349 W HN 0.839 nan 8.180 nan 0.000 0.528 350 G N 2.002 110.724 108.800 -0.130 0.000 2.566 350 G HA2 -0.340 3.610 3.960 -0.017 0.000 0.280 350 G HA3 -0.340 3.610 3.960 -0.017 0.000 0.280 350 G C -0.322 174.551 174.900 -0.045 0.000 1.225 350 G CA 0.076 45.082 45.100 -0.158 0.000 0.966 350 G HN 0.098 nan 8.290 nan 0.000 0.560 351 I N 1.510 122.045 120.570 -0.059 0.000 2.441 351 I HA 0.246 4.405 4.170 -0.017 0.000 0.287 351 I C 1.546 177.687 176.117 0.039 0.000 1.049 351 I CA -0.138 61.157 61.300 -0.009 0.000 1.381 351 I CB 0.843 38.831 38.000 -0.020 0.000 1.409 351 I HN 0.629 nan 8.210 nan 0.000 0.523 352 L N 6.651 127.915 121.223 0.068 0.000 2.145 352 L HA 0.457 4.787 4.340 -0.017 0.000 0.201 352 L C 0.643 177.569 176.870 0.094 0.000 1.075 352 L CA 1.100 56.002 54.840 0.104 0.000 0.773 352 L CB 0.092 42.221 42.059 0.117 0.000 0.936 352 L HN 0.696 nan 8.230 nan 0.000 0.451 353 A N -0.487 122.395 122.820 0.103 0.000 2.589 353 A HA 0.662 4.972 4.320 -0.017 0.000 0.296 353 A C -1.111 176.585 177.584 0.186 0.000 1.062 353 A CA -0.600 51.529 52.037 0.153 0.000 0.686 353 A CB 1.121 20.260 19.000 0.233 0.000 1.282 353 A HN 0.078 nan 8.150 nan 0.000 0.404 354 K N 0.930 121.449 120.400 0.197 0.000 2.557 354 K HA 0.583 4.893 4.320 -0.017 0.000 0.257 354 K C -2.194 174.555 176.600 0.248 0.000 0.933 354 K CA -0.519 55.893 56.287 0.209 0.000 0.820 354 K CB 1.773 34.330 32.500 0.095 0.000 1.330 354 K HN 1.088 nan 8.250 nan 0.000 0.432 355 H N 0.275 119.421 119.070 0.128 0.000 3.129 355 H HA 0.366 4.912 4.556 -0.018 0.000 0.342 355 H C -1.956 173.399 175.328 0.045 0.000 1.092 355 H CA -0.388 55.688 56.048 0.048 0.000 1.310 355 H CB 1.849 31.611 29.762 0.000 0.000 1.932 355 H HN 0.420 nan 8.280 nan 0.000 0.507 356 S N 4.147 119.521 115.700 -0.544 0.000 2.520 356 S HA 0.172 4.632 4.470 -0.017 0.000 0.324 356 S C -0.762 173.384 174.600 -0.756 0.000 1.069 356 S CA -0.685 57.249 58.200 -0.443 0.000 1.121 356 S CB 0.488 63.559 63.200 -0.216 0.000 0.971 356 S HN 0.659 nan 8.310 nan 0.000 0.463 357 D N 2.125 122.133 120.400 -0.653 0.000 2.280 357 D HA 0.294 4.924 4.640 -0.017 0.000 0.243 357 D C 1.001 177.183 176.300 -0.198 0.000 1.129 357 D CA -0.569 53.184 54.000 -0.412 0.000 0.848 357 D CB 0.839 41.594 40.800 -0.074 0.000 1.107 357 D HN 0.267 nan 8.370 nan 0.000 0.471 358 L N 5.538 126.618 121.223 -0.238 0.000 1.976 358 L HA -0.047 4.283 4.340 -0.017 0.000 0.209 358 L C 1.463 178.349 176.870 0.026 0.000 1.071 358 L CA 1.581 56.327 54.840 -0.156 0.000 0.746 358 L CB -0.450 41.448 42.059 -0.268 0.000 0.890 358 L HN 0.611 nan 8.230 nan 0.000 0.432 359 W N -0.009 121.295 121.300 0.007 0.000 2.338 359 W HA -0.171 4.485 4.660 -0.006 0.000 0.304 359 W C 3.018 179.540 176.519 0.006 0.000 1.212 359 W CA 1.690 59.041 57.345 0.010 0.000 1.264 359 W CB -1.865 27.606 29.460 0.018 0.000 1.142 359 W HN 0.560 nan 8.180 nan 0.000 0.512 360 S N -1.162 114.671 115.700 0.222 0.000 2.478 360 S HA 0.293 4.752 4.470 -0.017 0.000 0.222 360 S C 1.807 176.452 174.600 0.076 0.000 1.008 360 S CA 0.943 59.222 58.200 0.131 0.000 0.928 360 S CB -0.060 63.207 63.200 0.112 0.000 0.781 360 S HN 0.456 nan 8.310 nan 0.000 0.518 361 G N 1.140 109.968 108.800 0.048 0.000 2.179 361 G HA2 -0.233 3.717 3.960 -0.017 0.000 0.260 361 G HA3 -0.233 3.717 3.960 -0.017 0.000 0.260 361 G C 0.013 174.916 174.900 0.006 0.000 0.977 361 G CA 0.320 45.431 45.100 0.019 0.000 0.641 361 G HN 0.600 nan 8.290 nan 0.000 0.533 362 I N 1.127 121.703 120.570 0.010 0.000 2.342 362 I HA 0.255 4.414 4.170 -0.017 0.000 0.291 362 I C 0.153 176.267 176.117 -0.005 0.000 1.010 362 I CA -0.364 60.950 61.300 0.023 0.000 1.308 362 I CB 1.010 39.040 38.000 0.050 0.000 1.400 362 I HN 0.116 nan 8.210 nan 0.000 0.488 363 N N 5.922 124.635 118.700 0.020 0.000 2.446 363 N HA 0.354 5.084 4.740 -0.017 0.000 0.265 363 N C -1.414 174.164 175.510 0.113 0.000 0.975 363 N CA -0.605 52.454 53.050 0.015 0.000 0.928 363 N CB 1.523 40.003 38.487 -0.012 0.000 1.160 363 N HN 0.455 nan 8.380 nan 0.000 0.495 364 Y N 1.814 122.101 120.300 -0.022 0.000 2.376 364 Y HA 0.458 5.000 4.550 -0.015 0.000 0.340 364 Y C -1.101 174.807 175.900 0.013 0.000 0.965 364 Y CA -0.307 57.798 58.100 0.009 0.000 1.078 364 Y CB 1.676 40.159 38.460 0.038 0.000 1.193 364 Y HN 0.330 nan 8.280 nan 0.000 0.452 365 T N 6.864 121.256 114.554 -0.271 0.000 2.971 365 T HA 0.561 4.900 4.350 -0.017 0.000 0.304 365 T C -1.273 173.208 174.700 -0.365 0.000 1.038 365 T CA -0.992 60.984 62.100 -0.206 0.000 1.007 365 T CB 1.121 69.932 68.868 -0.095 0.000 1.055 365 T HN 0.412 nan 8.240 nan 0.000 0.451 366 R N 1.842 122.194 120.500 -0.245 0.000 2.686 366 R HA 0.545 4.874 4.340 -0.017 0.000 0.283 366 R C -0.433 175.838 176.300 -0.047 0.000 0.978 366 R CA -0.867 55.124 56.100 -0.182 0.000 0.897 366 R CB 2.205 32.403 30.300 -0.169 0.000 1.192 366 R HN 0.539 nan 8.270 nan 0.000 0.457 367 R N 1.176 121.666 120.500 -0.016 0.000 2.457 367 R HA 0.326 4.655 4.340 -0.017 0.000 0.284 367 R C 0.199 176.559 176.300 0.100 0.000 1.024 367 R CA -0.823 55.299 56.100 0.037 0.000 1.025 367 R CB 1.003 31.324 30.300 0.036 0.000 1.063 367 R HN 0.392 nan 8.270 nan 0.000 0.493 368 N N 1.048 119.844 118.700 0.160 0.000 2.476 368 N HA 0.405 5.135 4.740 -0.017 0.000 0.276 368 N C -0.872 174.846 175.510 0.346 0.000 1.204 368 N CA -0.302 52.914 53.050 0.277 0.000 0.974 368 N CB 1.144 39.852 38.487 0.368 0.000 1.204 368 N HN 0.428 nan 8.380 nan 0.000 0.543 369 R N -0.427 120.335 120.500 0.437 0.000 2.692 369 R HA 0.455 4.785 4.340 -0.017 0.000 0.269 369 R C -1.034 175.529 176.300 0.438 0.000 1.030 369 R CA -0.809 55.558 56.100 0.446 0.000 0.882 369 R CB 2.228 32.824 30.300 0.493 0.000 1.250 369 R HN 0.717 nan 8.270 nan 0.000 0.465 370 R N 0.933 121.495 120.500 0.104 0.000 2.651 370 R HA 0.536 4.866 4.340 -0.017 0.000 0.278 370 R C -1.188 174.646 176.300 -0.776 0.000 1.010 370 R CA -1.037 54.809 56.100 -0.424 0.000 0.896 370 R CB 1.659 31.288 30.300 -1.119 0.000 1.211 370 R HN 0.374 nan 8.270 nan 0.000 0.456 371 M N 2.692 121.481 119.600 -1.352 0.000 2.180 371 M HA 0.310 4.779 4.480 -0.017 0.000 0.358 371 M C -1.447 174.353 176.300 -0.834 0.000 1.233 371 M CA -0.543 53.896 55.300 -1.434 0.000 1.114 371 M CB 1.588 33.153 32.600 -1.725 0.000 1.594 371 M HN 0.534 nan 8.290 nan 0.000 0.467 372 V N 7.154 126.628 119.914 -0.732 0.000 2.495 372 V HA 0.565 4.674 4.120 -0.017 0.000 0.298 372 V C -0.541 175.334 176.094 -0.365 0.000 1.031 372 V CA -0.577 61.448 62.300 -0.458 0.000 0.871 372 V CB 1.635 33.139 31.823 -0.533 0.000 0.988 372 V HN 0.787 nan 8.190 nan 0.000 0.432 373 I N 4.664 125.111 120.570 -0.205 0.000 2.439 373 I HA 0.621 4.781 4.170 -0.017 0.000 0.283 373 I C -0.110 176.019 176.117 0.021 0.000 1.023 373 I CA 0.065 61.307 61.300 -0.097 0.000 1.100 373 I CB 1.912 39.847 38.000 -0.109 0.000 1.238 373 I HN 0.784 nan 8.210 nan 0.000 0.445 374 S N 5.699 121.422 115.700 0.038 0.000 2.638 374 S HA 0.885 5.345 4.470 -0.017 0.000 0.274 374 S C -0.947 173.760 174.600 0.179 0.000 1.157 374 S CA -0.716 57.455 58.200 -0.047 0.000 0.826 374 S CB 2.605 65.477 63.200 -0.547 0.000 1.139 374 S HN 0.537 nan 8.310 nan 0.000 0.474 375 F N -1.159 118.754 119.950 -0.063 0.000 2.693 375 F HA 0.875 5.392 4.527 -0.017 0.000 0.309 375 F C -2.311 173.589 175.800 0.165 0.000 1.129 375 F CA -1.588 56.489 58.000 0.127 0.000 0.948 375 F CB 0.864 40.005 39.000 0.235 0.000 1.315 375 F HN 0.626 nan 8.300 nan 0.000 0.447 376 F N 1.161 121.142 119.950 0.050 0.000 2.540 376 F HA 0.706 5.223 4.527 -0.017 0.000 0.317 376 F C -0.164 175.757 175.800 0.202 0.000 1.104 376 F CA -0.397 57.607 58.000 0.007 0.000 0.913 376 F CB 2.297 41.330 39.000 0.055 0.000 1.170 376 F HN 0.872 nan 8.300 nan 0.000 0.450 377 T N 2.125 116.915 114.554 0.394 0.000 2.916 377 T HA 0.675 5.015 4.350 -0.017 0.000 0.292 377 T C -1.203 173.734 174.700 0.396 0.000 1.055 377 T CA -0.333 62.057 62.100 0.484 0.000 1.009 377 T CB 1.350 70.570 68.868 0.587 0.000 1.118 377 T HN 0.571 nan 8.240 nan 0.000 0.497 378 T N 4.495 119.239 114.554 0.316 0.000 2.840 378 T HA 0.564 4.904 4.350 -0.017 0.000 0.287 378 T C -0.817 173.900 174.700 0.028 0.000 0.991 378 T CA -0.589 61.592 62.100 0.135 0.000 0.964 378 T CB 0.522 69.440 68.868 0.083 0.000 0.954 378 T HN 0.443 nan 8.240 nan 0.000 0.438 379 I N 3.495 124.024 120.570 -0.069 0.000 2.495 379 I HA 0.447 4.607 4.170 -0.017 0.000 0.277 379 I C 1.162 177.078 176.117 -0.334 0.000 1.045 379 I CA -0.103 61.043 61.300 -0.255 0.000 1.135 379 I CB 0.101 38.048 38.000 -0.088 0.000 1.241 379 I HN 0.951 nan 8.210 nan 0.000 0.469 380 G N 7.184 115.758 108.800 -0.376 0.000 2.557 380 G HA2 -0.286 3.664 3.960 -0.017 0.000 0.292 380 G HA3 -0.286 3.664 3.960 -0.017 0.000 0.292 380 G C 0.302 175.057 174.900 -0.242 0.000 1.162 380 G CA 0.422 45.375 45.100 -0.245 0.000 0.964 380 G HN 0.715 nan 8.290 nan 0.000 0.541 384 Y N 0.336 120.649 120.300 0.022 0.000 2.391 384 Y HA 0.707 5.246 4.550 -0.017 0.000 0.341 384 Y C 0.756 175.952 175.900 -1.174 0.000 0.965 384 Y CA -1.120 56.722 58.100 -0.429 0.000 1.067 384 Y CB 2.469 40.782 38.460 -0.244 0.000 1.199 384 Y HN 0.442 nan 8.280 nan 0.000 0.450 385 G N 2.426 110.314 108.800 -1.520 0.000 2.372 385 G HA2 0.592 4.542 3.960 -0.017 0.000 0.323 385 G HA3 0.592 4.542 3.960 -0.017 0.000 0.323 385 G C -1.642 172.681 174.900 -0.962 0.000 1.152 385 G CA -0.432 43.704 45.100 -1.606 0.000 0.906 385 G HN 0.355 nan 8.290 nan 0.000 0.460 386 F N 1.399 120.823 119.950 -0.877 0.000 2.426 386 F HA 0.489 5.005 4.527 -0.017 0.000 0.348 386 F C -0.695 174.698 175.800 -0.678 0.000 1.124 386 F CA -0.716 56.975 58.000 -0.516 0.000 1.008 386 F CB 1.892 40.771 39.000 -0.202 0.000 1.139 386 F HN 0.313 nan 8.300 nan 0.000 0.452 387 Y N 1.408 121.266 120.300 -0.736 0.000 2.361 387 Y HA 0.437 4.977 4.550 -0.017 0.000 0.337 387 Y C -1.120 174.041 175.900 -1.230 0.000 0.965 387 Y CA -1.503 56.106 58.100 -0.818 0.000 1.091 387 Y CB 1.420 39.344 38.460 -0.894 0.000 1.182 387 Y HN 0.524 nan 8.280 nan 0.000 0.450 388 W N 3.387 124.332 121.300 -0.591 0.000 2.587 388 W HA 0.622 5.271 4.660 -0.018 0.000 0.324 388 W C -1.445 174.650 176.519 -0.706 0.000 1.040 388 W CA -0.740 56.291 57.345 -0.522 0.000 1.222 388 W CB 1.219 30.547 29.460 -0.220 0.000 1.381 388 W HN 0.321 nan 8.180 nan 0.000 0.483 389 Y N 2.881 123.077 120.300 -0.173 0.000 2.462 389 Y HA 0.667 5.207 4.550 -0.017 0.000 0.346 389 Y C -0.334 175.251 175.900 -0.524 0.000 0.976 389 Y CA -1.708 56.097 58.100 -0.492 0.000 1.044 389 Y CB 1.246 39.304 38.460 -0.669 0.000 1.230 389 Y HN 0.069 nan 8.280 nan 0.000 0.455 390 L N 3.991 124.860 121.223 -0.590 0.000 2.376 390 L HA 0.518 4.848 4.340 -0.017 0.000 0.275 390 L C -1.238 175.453 176.870 -0.298 0.000 0.987 390 L CA -0.813 53.633 54.840 -0.657 0.000 0.828 390 L CB 1.279 42.602 42.059 -1.227 0.000 1.249 390 L HN 0.599 nan 8.230 nan 0.000 0.409 391 Y N 1.885 122.360 120.300 0.291 0.000 2.453 391 Y HA 0.312 4.852 4.550 -0.017 0.000 0.326 391 Y C 1.234 177.608 175.900 0.791 0.000 1.186 391 Y CA -0.713 57.672 58.100 0.474 0.000 1.200 391 Y CB 1.366 39.985 38.460 0.264 0.000 1.247 391 Y HN 0.443 nan 8.280 nan 0.000 0.482 392 L N 0.702 122.360 121.223 0.725 0.000 2.079 392 L HA -0.225 4.104 4.340 -0.017 0.000 0.210 392 L C 1.807 178.908 176.870 0.384 0.000 1.081 392 L CA 1.798 56.907 54.840 0.448 0.000 0.752 392 L CB -0.344 41.863 42.059 0.247 0.000 0.896 392 L HN 0.781 nan 8.230 nan 0.000 0.433 393 D N -0.455 120.152 120.400 0.346 0.000 2.363 393 D HA -0.047 4.583 4.640 -0.017 0.000 0.226 393 D C 1.418 177.805 176.300 0.146 0.000 1.020 393 D CA 0.980 55.075 54.000 0.158 0.000 0.892 393 D CB 0.240 41.113 40.800 0.122 0.000 0.900 393 D HN 0.379 nan 8.370 nan 0.000 0.531 394 G N -0.587 108.485 108.800 0.453 0.000 2.179 394 G HA2 -0.228 3.722 3.960 -0.017 0.000 0.220 394 G HA3 -0.228 3.722 3.960 -0.017 0.000 0.220 394 G C 0.343 175.754 174.900 0.852 0.000 0.990 394 G CA 0.170 45.588 45.100 0.530 0.000 0.646 394 G HN 0.447 nan 8.290 nan 0.000 0.517 395 T N 1.249 116.219 114.554 0.692 0.000 2.907 395 T HA 0.585 4.925 4.350 -0.017 0.000 0.298 395 T C 0.504 175.583 174.700 0.631 0.000 1.017 395 T CA 0.395 62.834 62.100 0.564 0.000 1.118 395 T CB 1.285 70.307 68.868 0.257 0.000 0.948 395 T HN 0.328 nan 8.240 nan 0.000 0.531 396 I N 2.585 123.442 120.570 0.479 0.000 2.433 396 I HA 0.501 4.661 4.170 -0.017 0.000 0.292 396 I C 0.108 176.374 176.117 0.249 0.000 1.001 396 I CA -0.609 60.863 61.300 0.287 0.000 1.119 396 I CB 1.853 39.992 38.000 0.232 0.000 1.289 396 I HN 0.602 nan 8.210 nan 0.000 0.438 397 E N 5.598 125.900 120.200 0.171 0.000 2.383 397 E HA 0.497 4.837 4.350 -0.017 0.000 0.275 397 E C -2.037 174.376 176.600 -0.311 0.000 0.918 397 E CA -0.650 55.738 56.400 -0.020 0.000 0.764 397 E CB 2.792 32.624 29.700 0.220 0.000 1.252 397 E HN 0.415 nan 8.360 nan 0.000 0.449 398 F N 2.159 121.530 119.950 -0.964 0.000 2.551 398 F HA 0.524 5.040 4.527 -0.017 0.000 0.316 398 F C -1.219 174.038 175.800 -0.904 0.000 1.089 398 F CA -0.502 56.721 58.000 -1.294 0.000 0.915 398 F CB 1.857 39.738 39.000 -1.865 0.000 1.186 398 F HN 0.502 nan 8.300 nan 0.000 0.456 399 E N 4.157 123.217 120.200 -1.900 0.000 2.278 399 E HA 0.686 5.026 4.350 -0.017 0.000 0.272 399 E C -1.871 173.870 176.600 -1.433 0.000 0.890 399 E CA -0.951 54.729 56.400 -1.200 0.000 0.770 399 E CB 1.771 31.165 29.700 -0.510 0.000 1.212 399 E HN 0.872 nan 8.360 nan 0.000 0.415 400 A N 4.413 126.658 122.820 -0.959 0.000 2.305 400 A HA 0.577 4.886 4.320 -0.017 0.000 0.322 400 A C -0.791 176.537 177.584 -0.427 0.000 1.187 400 A CA -0.672 50.897 52.037 -0.780 0.000 0.825 400 A CB 0.834 19.237 19.000 -0.994 0.000 1.164 400 A HN 0.553 nan 8.150 nan 0.000 0.498 401 K N 1.653 121.852 120.400 -0.336 0.000 2.483 401 K HA 0.547 4.857 4.320 -0.017 0.000 0.256 401 K C -0.753 175.815 176.600 -0.054 0.000 0.961 401 K CA -0.308 55.895 56.287 -0.140 0.000 0.873 401 K CB 2.103 34.571 32.500 -0.054 0.000 1.107 401 K HN 0.732 nan 8.250 nan 0.000 0.432 402 A N 2.573 125.420 122.820 0.045 0.000 2.260 402 A HA 0.511 4.821 4.320 -0.017 0.000 0.308 402 A C -0.046 177.564 177.584 0.044 0.000 1.254 402 A CA -0.172 51.918 52.037 0.087 0.000 0.874 402 A CB 1.094 20.131 19.000 0.061 0.000 1.153 402 A HN 0.663 nan 8.150 nan 0.000 0.527 403 T N 1.016 115.567 114.554 -0.004 0.000 2.590 403 T HA 0.830 5.170 4.350 -0.017 0.000 0.282 403 T C 0.368 174.997 174.700 -0.118 0.000 0.989 403 T CA 0.983 63.072 62.100 -0.018 0.000 1.091 403 T CB 0.873 69.767 68.868 0.043 0.000 1.460 403 T HN 2.580 nan 8.240 nan 0.000 0.499 404 G N -0.152 108.560 108.800 -0.147 0.000 2.416 404 G HA2 0.053 4.002 3.960 -0.017 0.000 0.203 404 G HA3 0.053 4.002 3.960 -0.017 0.000 0.203 404 G C -1.255 173.502 174.900 -0.237 0.000 1.227 404 G CA -0.209 44.763 45.100 -0.213 0.000 1.041 404 G HN 1.252 nan 8.290 nan 0.000 0.546 405 V N 0.466 120.197 119.914 -0.305 0.000 2.513 405 V HA 0.642 4.752 4.120 -0.017 0.000 0.299 405 V C 1.005 176.969 176.094 -0.217 0.000 1.035 405 V CA -0.140 61.995 62.300 -0.276 0.000 0.889 405 V CB 1.380 32.966 31.823 -0.395 0.000 0.988 405 V HN 1.476 nan 8.190 nan 0.000 0.440 406 V N 5.466 125.408 119.914 0.047 0.000 2.740 406 V HA 0.223 4.332 4.120 -0.017 0.000 0.303 406 V C -0.240 175.926 176.094 0.119 0.000 1.054 406 V CA 0.123 62.516 62.300 0.155 0.000 1.106 406 V CB 0.686 32.686 31.823 0.296 0.000 0.957 406 V HN 0.681 nan 8.190 nan 0.000 0.486 407 F N 6.650 126.622 119.950 0.035 0.000 2.471 407 F HA 0.426 4.942 4.527 -0.017 0.000 0.365 407 F C 0.907 176.836 175.800 0.215 0.000 1.095 407 F CA 0.249 58.300 58.000 0.084 0.000 1.174 407 F CB 0.680 39.711 39.000 0.052 0.000 1.105 407 F HN 0.804 nan 8.300 nan 0.000 0.535 408 T N 1.812 116.432 114.554 0.111 0.000 2.912 408 T HA 0.797 5.137 4.350 -0.017 0.000 0.280 408 T C -0.075 174.727 174.700 0.170 0.000 0.989 408 T CA -0.260 61.943 62.100 0.172 0.000 0.995 408 T CB 1.656 70.590 68.868 0.109 0.000 1.077 408 T HN 0.681 nan 8.240 nan 0.000 0.531 409 S N -0.477 115.265 115.700 0.071 0.000 2.752 409 S HA 0.775 5.235 4.470 -0.017 0.000 0.284 409 S C -0.626 173.933 174.600 -0.068 0.000 1.189 409 S CA -0.810 57.372 58.200 -0.030 0.000 0.835 409 S CB 0.797 63.983 63.200 -0.023 0.000 1.192 409 S HN 1.389 nan 8.310 nan 0.000 0.506 410 A N 0.468 123.189 122.820 -0.165 0.000 2.302 410 A HA 0.693 5.003 4.320 -0.017 0.000 0.285 410 A C -0.781 176.811 177.584 0.013 0.000 1.105 410 A CA -0.433 51.559 52.037 -0.074 0.000 0.816 410 A CB -0.134 18.795 19.000 -0.119 0.000 1.067 410 A HN 0.964 nan 8.150 nan 0.000 0.489 411 F N 2.994 122.930 119.950 -0.022 0.000 2.404 411 F HA 0.512 5.029 4.527 -0.017 0.000 0.358 411 F C -2.135 173.702 175.800 0.062 0.000 1.120 411 F CA -2.614 55.383 58.000 -0.004 0.000 1.144 411 F CB 0.823 39.816 39.000 -0.013 0.000 1.133 411 F HN 0.304 nan 8.300 nan 0.000 0.495 412 P HA -0.021 nan 4.420 nan 0.000 0.264 412 P C 0.737 177.819 177.300 -0.363 0.000 1.183 412 P CA 0.290 63.202 63.100 -0.314 0.000 0.763 412 P CB 0.604 32.109 31.700 -0.325 0.000 0.807 413 E N 2.651 122.776 120.200 -0.126 0.000 2.033 413 E HA -0.181 4.159 4.350 -0.017 0.000 0.199 413 E C 1.536 178.093 176.600 -0.071 0.000 1.011 413 E CA 1.577 57.939 56.400 -0.063 0.000 0.815 413 E CB -0.567 29.108 29.700 -0.042 0.000 0.755 413 E HN 0.663 nan 8.360 nan 0.000 0.451 414 G N 0.156 108.900 108.800 -0.092 0.000 3.374 414 G HA2 0.356 4.306 3.960 -0.017 0.000 0.252 414 G HA3 0.356 4.306 3.960 -0.017 0.000 0.252 414 G C 0.396 175.248 174.900 -0.080 0.000 1.326 414 G CA 0.334 45.399 45.100 -0.058 0.000 1.133 414 G HN 0.568 nan 8.290 nan 0.000 0.528 415 G N -0.902 107.793 108.800 -0.175 0.000 2.855 415 G HA2 0.161 4.111 3.960 -0.017 0.000 0.352 415 G HA3 0.161 4.111 3.960 -0.017 0.000 0.352 415 G C -0.241 174.498 174.900 -0.269 0.000 1.415 415 G CA -0.018 44.989 45.100 -0.155 0.000 0.871 415 G HN 1.364 nan 8.290 nan 0.000 0.543 416 S N -1.189 114.457 115.700 -0.090 0.000 2.535 416 S HA 0.577 5.036 4.470 -0.017 0.000 0.272 416 S C 0.012 174.628 174.600 0.027 0.000 1.149 416 S CA 0.316 58.463 58.200 -0.088 0.000 0.888 416 S CB 1.725 64.804 63.200 -0.201 0.000 1.110 416 S HN 0.582 nan 8.310 nan 0.000 0.463 417 D N 1.996 122.401 120.400 0.008 0.000 2.349 417 D HA 0.182 4.811 4.640 -0.017 0.000 0.215 417 D C 0.506 176.847 176.300 0.068 0.000 1.016 417 D CA 0.450 54.502 54.000 0.087 0.000 0.870 417 D CB 0.154 41.000 40.800 0.078 0.000 0.917 417 D HN 0.532 nan 8.370 nan 0.000 0.524 418 N N -0.103 118.461 118.700 -0.227 0.000 2.194 418 N HA 0.188 4.918 4.740 -0.017 0.000 0.231 418 N C -0.133 174.645 175.510 -1.221 0.000 1.247 418 N CA 0.043 52.755 53.050 -0.564 0.000 0.884 418 N CB 2.068 40.451 38.487 -0.173 0.000 1.146 418 N HN 0.129 nan 8.380 nan 0.000 0.516 419 I N 0.658 120.634 120.570 -0.989 0.000 2.752 419 I HA 0.205 4.365 4.170 -0.017 0.000 0.295 419 I C -0.559 175.556 176.117 -0.003 0.000 1.219 419 I CA -0.750 60.251 61.300 -0.499 0.000 1.030 419 I CB 2.293 40.240 38.000 -0.088 0.000 1.259 419 I HN -0.125 nan 8.210 nan 0.000 0.423 420 S N 3.582 119.430 115.700 0.247 0.000 2.621 420 S HA 0.549 5.009 4.470 -0.017 0.000 0.302 420 S C -0.771 173.793 174.600 -0.060 0.000 1.093 420 S CA -0.825 57.537 58.200 0.269 0.000 1.017 420 S CB 2.097 65.554 63.200 0.427 0.000 1.077 420 S HN 0.666 nan 8.310 nan 0.000 0.517 421 Q N 0.666 120.132 119.800 -0.557 0.000 2.256 421 Q HA 0.469 4.799 4.340 -0.017 0.000 0.254 421 Q C -0.206 175.604 176.000 -0.317 0.000 0.916 421 Q CA -0.507 54.844 55.803 -0.753 0.000 0.932 421 Q CB 0.774 28.723 28.738 -1.316 0.000 1.207 421 Q HN 0.859 nan 8.270 nan 0.000 0.426 422 L N 2.076 123.142 121.223 -0.261 0.000 2.500 422 L HA 0.540 4.870 4.340 -0.017 0.000 0.219 422 L C 0.355 177.107 176.870 -0.198 0.000 1.057 422 L CA 0.135 54.858 54.840 -0.194 0.000 0.854 422 L CB 0.586 42.455 42.059 -0.317 0.000 1.078 422 L HN 0.638 nan 8.230 nan 0.000 0.480 423 A N -1.034 121.631 122.820 -0.260 0.000 2.581 423 A HA 0.647 4.957 4.320 -0.017 0.000 0.290 423 A C -2.745 174.769 177.584 -0.117 0.000 1.119 423 A CA -1.023 50.921 52.037 -0.155 0.000 0.670 423 A CB 0.351 19.231 19.000 -0.201 0.000 1.280 423 A HN -0.229 nan 8.150 nan 0.000 0.425 424 P HA 0.307 nan 4.420 nan 0.000 0.261 424 P C 0.952 178.264 177.300 0.020 0.000 1.203 424 P CA 2.241 65.340 63.100 -0.000 0.000 0.767 424 P CB 0.354 32.068 31.700 0.022 0.000 0.785 425 G N 2.404 111.248 108.800 0.073 0.000 2.184 425 G HA2 -0.276 3.674 3.960 -0.017 0.000 0.264 425 G HA3 -0.276 3.674 3.960 -0.017 0.000 0.264 425 G C -0.172 174.787 174.900 0.098 0.000 0.975 425 G CA -0.163 45.011 45.100 0.122 0.000 0.642 425 G HN 0.559 nan 8.290 nan 0.000 0.536 426 L N 1.782 123.001 121.223 -0.006 0.000 2.272 426 L HA 0.788 5.117 4.340 -0.017 0.000 0.289 426 L C 0.707 177.538 176.870 -0.064 0.000 1.032 426 L CA 0.176 54.949 54.840 -0.111 0.000 0.810 426 L CB 1.119 42.963 42.059 -0.358 0.000 1.205 426 L HN 0.376 nan 8.230 nan 0.000 0.422 427 G N 3.349 112.171 108.800 0.037 0.000 2.537 427 G HA2 0.767 4.717 3.960 -0.017 0.000 0.323 427 G HA3 0.767 4.717 3.960 -0.017 0.000 0.323 427 G C -1.589 173.364 174.900 0.089 0.000 1.207 427 G CA -0.348 44.839 45.100 0.146 0.000 0.976 427 G HN 0.930 nan 8.290 nan 0.000 0.487 428 A N 1.793 124.713 122.820 0.165 0.000 2.522 428 A HA 0.737 5.046 4.320 -0.017 0.000 0.285 428 A C -2.640 175.131 177.584 0.311 0.000 1.198 428 A CA -1.343 50.845 52.037 0.251 0.000 0.742 428 A CB 1.507 20.670 19.000 0.272 0.000 1.176 428 A HN 0.470 nan 8.150 nan 0.000 0.444 429 P HA 0.177 nan 4.420 nan 0.000 0.268 429 P C -0.483 177.116 177.300 0.498 0.000 1.205 429 P CA 0.179 63.436 63.100 0.262 0.000 0.771 429 P CB 0.338 32.205 31.700 0.278 0.000 0.858 430 F N 3.037 123.125 119.950 0.229 0.000 2.553 430 F HA 0.177 4.694 4.527 -0.017 0.000 0.356 430 F C 1.662 177.388 175.800 -0.124 0.000 1.142 430 F CA 0.565 58.583 58.000 0.031 0.000 1.322 430 F CB -0.571 38.434 39.000 0.007 0.000 1.126 430 F HN 0.500 nan 8.300 nan 0.000 0.599 431 H N -0.192 118.705 119.070 -0.289 0.000 2.902 431 H HA 0.536 5.081 4.556 -0.017 0.000 0.297 431 H C -1.786 173.189 175.328 -0.588 0.000 1.406 431 H CA -1.129 54.508 56.048 -0.685 0.000 1.134 431 H CB 1.441 30.363 29.762 -1.400 0.000 1.833 431 H HN 0.592 nan 8.280 nan 0.000 0.527 432 Q N 0.108 119.547 119.800 -0.602 0.000 2.451 432 Q HA 0.384 4.713 4.340 -0.017 0.000 0.281 432 Q C -1.133 174.518 176.000 -0.582 0.000 1.099 432 Q CA -0.963 54.510 55.803 -0.550 0.000 0.806 432 Q CB 3.020 31.521 28.738 -0.395 0.000 1.419 432 Q HN 0.553 nan 8.270 nan 0.000 0.427 433 H N 1.378 120.246 119.070 -0.337 0.000 2.887 433 H HA 0.434 4.980 4.556 -0.017 0.000 0.300 433 H C -0.879 174.173 175.328 -0.461 0.000 1.038 433 H CA -0.212 55.614 56.048 -0.370 0.000 1.352 433 H CB 0.714 30.339 29.762 -0.228 0.000 1.473 433 H HN 0.443 nan 8.280 nan 0.000 0.503 434 I N 3.799 124.095 120.570 -0.457 0.000 2.404 434 I HA 0.265 4.424 4.170 -0.017 0.000 0.293 434 I C -0.513 175.296 176.117 -0.515 0.000 0.992 434 I CA -0.604 60.474 61.300 -0.371 0.000 1.149 434 I CB 1.069 38.903 38.000 -0.278 0.000 1.315 434 I HN 0.193 nan 8.210 nan 0.000 0.446 435 F N 2.979 122.662 119.950 -0.445 0.000 2.523 435 F HA 0.524 5.041 4.527 -0.017 0.000 0.329 435 F C 0.504 176.092 175.800 -0.353 0.000 1.061 435 F CA -0.859 56.840 58.000 -0.502 0.000 0.967 435 F CB 1.860 40.265 39.000 -0.992 0.000 1.218 435 F HN 0.250 nan 8.300 nan 0.000 0.480 436 S N 1.215 116.945 115.700 0.051 0.000 2.707 436 S HA 0.773 5.233 4.470 -0.017 0.000 0.312 436 S C -0.902 173.794 174.600 0.160 0.000 1.116 436 S CA -0.519 57.738 58.200 0.095 0.000 1.078 436 S CB 0.433 63.522 63.200 -0.185 0.000 0.997 436 S HN 0.829 nan 8.310 nan 0.000 0.477 437 A N 4.845 127.815 122.820 0.250 0.000 2.289 437 A HA 0.623 4.933 4.320 -0.017 0.000 0.298 437 A C 0.154 177.766 177.584 0.047 0.000 1.208 437 A CA -0.650 51.494 52.037 0.178 0.000 0.845 437 A CB 0.395 19.451 19.000 0.094 0.000 1.125 437 A HN 0.837 nan 8.150 nan 0.000 0.517 438 R N 3.577 124.043 120.500 -0.057 0.000 2.246 438 R HA 0.526 4.856 4.340 -0.017 0.000 0.332 438 R C -1.593 174.524 176.300 -0.306 0.000 0.974 438 R CA -0.359 55.514 56.100 -0.379 0.000 0.837 438 R CB 0.340 30.290 30.300 -0.583 0.000 1.145 438 R HN 0.729 nan 8.270 nan 0.000 0.467 439 L N 4.414 125.451 121.223 -0.311 0.000 2.301 439 L HA 0.265 4.595 4.340 -0.017 0.000 0.278 439 L C -0.436 176.311 176.870 -0.206 0.000 1.022 439 L CA -0.846 53.886 54.840 -0.181 0.000 0.854 439 L CB 1.495 43.511 42.059 -0.073 0.000 1.226 439 L HN 0.525 nan 8.230 nan 0.000 0.429 440 D N 5.071 125.365 120.400 -0.176 0.000 2.422 440 D HA 0.184 4.814 4.640 -0.017 0.000 0.227 440 D C 0.148 176.438 176.300 -0.017 0.000 1.190 440 D CA -0.330 53.616 54.000 -0.091 0.000 0.905 440 D CB 0.612 41.375 40.800 -0.061 0.000 1.034 440 D HN 0.150 nan 8.370 nan 0.000 0.507 441 M N 2.322 121.926 119.600 0.007 0.000 2.245 441 M HA 0.328 4.797 4.480 -0.017 0.000 0.344 441 M C 0.398 176.740 176.300 0.069 0.000 1.170 441 M CA -0.319 54.993 55.300 0.020 0.000 1.135 441 M CB 0.724 33.344 32.600 0.033 0.000 1.574 441 M HN 0.484 nan 8.290 nan 0.000 0.452 442 A N 4.087 126.883 122.820 -0.040 0.000 3.292 442 A HA 0.382 4.692 4.320 -0.017 0.000 0.231 442 A C -0.277 177.231 177.584 -0.127 0.000 0.952 442 A CA -0.540 51.392 52.037 -0.175 0.000 1.044 442 A CB 0.118 18.863 19.000 -0.425 0.000 1.236 442 A HN 0.616 nan 8.150 nan 0.000 0.525 443 I N 1.702 122.257 120.570 -0.024 0.000 2.691 443 I HA 0.032 4.192 4.170 -0.017 0.000 0.288 443 I C 0.330 176.515 176.117 0.114 0.000 1.143 443 I CA 0.874 62.224 61.300 0.084 0.000 1.364 443 I CB -1.125 36.962 38.000 0.145 0.000 1.435 443 I HN 0.469 nan 8.210 nan 0.000 0.551 444 D N 5.147 125.639 120.400 0.152 0.000 2.772 444 D HA -0.149 4.481 4.640 -0.017 0.000 0.233 444 D C 0.670 176.933 176.300 -0.063 0.000 1.143 444 D CA 1.654 55.673 54.000 0.032 0.000 0.700 444 D CB -0.718 40.057 40.800 -0.042 0.000 1.076 444 D HN 1.132 nan 8.370 nan 0.000 0.430 445 G N -1.945 106.761 108.800 -0.157 0.000 2.434 445 G HA2 -0.129 3.820 3.960 -0.017 0.000 0.671 445 G HA3 -0.129 3.820 3.960 -0.017 0.000 0.671 445 G C 0.261 174.989 174.900 -0.287 0.000 1.280 445 G CA -0.368 44.566 45.100 -0.277 0.000 0.975 445 G HN 0.055 nan 8.290 nan 0.000 0.510 446 F N 0.799 120.741 119.950 -0.015 0.000 2.710 446 F HA 0.222 4.739 4.527 -0.017 0.000 0.298 446 F C 2.322 178.119 175.800 -0.004 0.000 1.137 446 F CA 1.174 59.159 58.000 -0.025 0.000 1.444 446 F CB 0.174 39.142 39.000 -0.053 0.000 1.111 446 F HN 0.296 nan 8.300 nan 0.000 0.580 447 T N 2.362 117.005 114.554 0.148 0.000 3.185 447 T HA 0.155 4.495 4.350 -0.017 0.000 0.287 447 T C -0.054 174.700 174.700 0.090 0.000 1.051 447 T CA -0.024 62.140 62.100 0.107 0.000 1.051 447 T CB -0.807 68.104 68.868 0.072 0.000 1.034 447 T HN 0.207 nan 8.240 nan 0.000 0.685 448 N N 2.039 120.801 118.700 0.103 0.000 2.453 448 N HA 0.781 5.511 4.740 -0.017 0.000 0.290 448 N C -0.388 175.176 175.510 0.091 0.000 1.250 448 N CA -1.374 51.733 53.050 0.094 0.000 0.815 448 N CB 2.000 40.548 38.487 0.101 0.000 1.381 448 N HN 0.480 nan 8.380 nan 0.000 0.510 449 R N -1.165 119.389 120.500 0.090 0.000 2.764 449 R HA 0.690 5.020 4.340 -0.017 0.000 0.270 449 R C -1.993 174.368 176.300 0.102 0.000 1.014 449 R CA -0.847 55.307 56.100 0.090 0.000 0.904 449 R CB 1.033 31.380 30.300 0.078 0.000 1.236 449 R HN 0.182 nan 8.270 nan 0.000 0.466 450 V N 0.970 120.951 119.914 0.111 0.000 2.604 450 V HA 0.441 4.550 4.120 -0.017 0.000 0.305 450 V C -0.579 175.602 176.094 0.144 0.000 1.043 450 V CA -0.713 61.670 62.300 0.138 0.000 0.888 450 V CB 1.787 33.699 31.823 0.148 0.000 0.995 450 V HN 0.762 nan 8.190 nan 0.000 0.429 451 E N 2.249 122.542 120.200 0.154 0.000 2.222 451 E HA 0.429 4.769 4.350 -0.017 0.000 0.267 451 E C -0.979 175.707 176.600 0.145 0.000 0.884 451 E CA -0.650 55.825 56.400 0.125 0.000 0.764 451 E CB 2.840 32.583 29.700 0.072 0.000 1.169 451 E HN 0.750 nan 8.360 nan 0.000 0.413 452 E N 2.749 123.020 120.200 0.117 0.000 2.200 452 E HA 0.088 4.428 4.350 -0.017 0.000 0.283 452 E C -1.000 175.520 176.600 -0.134 0.000 1.015 452 E CA -0.282 56.095 56.400 -0.038 0.000 0.819 452 E CB 0.965 30.713 29.700 0.079 0.000 1.081 452 E HN 0.393 nan 8.360 nan 0.000 0.397 453 E N 4.280 124.326 120.200 -0.257 0.000 2.145 453 E HA 0.185 4.524 4.350 -0.017 0.000 0.270 453 E C -1.302 175.174 176.600 -0.207 0.000 0.906 453 E CA -0.825 55.471 56.400 -0.175 0.000 0.761 453 E CB 0.972 30.591 29.700 -0.135 0.000 1.116 453 E HN 0.441 nan 8.360 nan 0.000 0.408 454 D N 2.580 122.905 120.400 -0.125 0.000 2.350 454 D HA 0.250 4.880 4.640 -0.017 0.000 0.245 454 D C -0.380 175.891 176.300 -0.049 0.000 1.036 454 D CA -0.547 53.391 54.000 -0.104 0.000 0.848 454 D CB 2.141 42.895 40.800 -0.076 0.000 1.307 454 D HN 0.148 nan 8.370 nan 0.000 0.469 455 V N 1.395 121.285 119.914 -0.040 0.000 2.843 455 V HA 0.183 4.293 4.120 -0.017 0.000 0.305 455 V C 0.242 176.344 176.094 0.013 0.000 1.065 455 V CA -0.217 62.086 62.300 0.004 0.000 1.116 455 V CB 1.376 33.176 31.823 -0.038 0.000 0.968 455 V HN 0.264 nan 8.190 nan 0.000 0.487 456 V N 5.690 125.641 119.914 0.062 0.000 2.444 456 V HA 0.448 4.558 4.120 -0.017 0.000 0.294 456 V C 0.150 176.294 176.094 0.083 0.000 1.022 456 V CA -0.821 61.511 62.300 0.054 0.000 0.850 456 V CB 1.574 33.426 31.823 0.048 0.000 0.992 456 V HN 0.800 nan 8.190 nan 0.000 0.426 457 R N 3.446 123.974 120.500 0.048 0.000 2.410 457 R HA 0.546 4.875 4.340 -0.017 0.000 0.288 457 R C -0.528 175.805 176.300 0.056 0.000 1.051 457 R CA -0.449 55.685 56.100 0.056 0.000 1.021 457 R CB 1.184 31.494 30.300 0.017 0.000 1.032 457 R HN 0.679 nan 8.270 nan 0.000 0.481 458 Q N 0.681 120.523 119.800 0.070 0.000 2.342 458 Q HA 0.283 4.613 4.340 -0.017 0.000 0.267 458 Q C -0.719 175.304 176.000 0.038 0.000 1.038 458 Q CA -0.678 55.154 55.803 0.049 0.000 0.832 458 Q CB 2.543 31.312 28.738 0.052 0.000 1.323 458 Q HN 0.462 nan 8.270 nan 0.000 0.448 459 T N 2.280 116.850 114.554 0.026 0.000 2.869 459 T HA 0.238 4.578 4.350 -0.017 0.000 0.295 459 T C 0.062 174.773 174.700 0.018 0.000 0.987 459 T CA -0.337 61.775 62.100 0.020 0.000 1.109 459 T CB 0.461 69.337 68.868 0.014 0.000 0.932 459 T HN 0.475 nan 8.240 nan 0.000 0.518 460 M N 3.073 122.683 119.600 0.017 0.000 2.228 460 M HA 0.460 4.929 4.480 -0.017 0.000 0.351 460 M C 0.534 176.840 176.300 0.011 0.000 1.233 460 M CA 0.897 56.206 55.300 0.015 0.000 1.129 460 M CB -0.366 32.243 32.600 0.015 0.000 1.604 460 M HN 0.908 nan 8.290 nan 0.000 0.457 461 G N 4.223 113.028 108.800 0.009 0.000 2.403 461 G HA2 0.124 4.074 3.960 -0.017 0.000 0.223 461 G HA3 0.124 4.074 3.960 -0.017 0.000 0.223 461 G C -3.337 171.566 174.900 0.005 0.000 1.287 461 G CA -1.124 43.980 45.100 0.006 0.000 0.982 461 G HN 0.443 nan 8.290 nan 0.000 0.471 462 P HA 0.335 nan 4.420 nan 0.000 0.260 462 P C 0.943 178.244 177.300 0.001 0.000 1.185 462 P CA 2.329 65.430 63.100 0.002 0.000 0.763 462 P CB 0.606 32.307 31.700 0.002 0.000 0.776 463 G N 3.048 111.847 108.800 -0.001 0.000 2.199 463 G HA2 -0.271 3.678 3.960 -0.017 0.000 0.254 463 G HA3 -0.271 3.678 3.960 -0.017 0.000 0.254 463 G C 0.500 175.397 174.900 -0.004 0.000 0.982 463 G CA 0.268 45.366 45.100 -0.003 0.000 0.632 463 G HN 0.648 nan 8.290 nan 0.000 0.529 464 N N 0.138 118.838 118.700 0.000 0.000 2.639 464 N HA 0.360 5.090 4.740 -0.017 0.000 0.265 464 N C 0.916 176.430 175.510 0.006 0.000 1.689 464 N CA 0.392 53.444 53.050 0.003 0.000 0.813 464 N CB 0.444 38.936 38.487 0.008 0.000 1.353 464 N HN 0.187 nan 8.380 nan 0.000 0.510 465 E N 0.052 120.254 120.200 0.004 0.000 2.160 465 E HA -0.029 4.311 4.350 -0.017 0.000 0.195 465 E C 1.080 177.684 176.600 0.007 0.000 0.991 465 E CA 1.207 57.610 56.400 0.005 0.000 0.810 465 E CB 0.132 29.834 29.700 0.003 0.000 0.742 465 E HN 0.386 nan 8.360 nan 0.000 0.466 466 R N -0.587 119.918 120.500 0.008 0.000 2.317 466 R HA 0.161 4.490 4.340 -0.017 0.000 0.208 466 R C 0.689 176.999 176.300 0.018 0.000 0.914 466 R CA 0.454 56.561 56.100 0.011 0.000 1.060 466 R CB 0.381 30.687 30.300 0.010 0.000 1.015 466 R HN 0.212 nan 8.270 nan 0.000 0.498 467 G N 2.581 111.393 108.800 0.020 0.000 2.305 467 G HA2 -0.302 3.648 3.960 -0.017 0.000 0.287 467 G HA3 -0.302 3.648 3.960 -0.017 0.000 0.287 467 G C 0.436 175.362 174.900 0.043 0.000 1.036 467 G CA 0.786 45.903 45.100 0.028 0.000 0.887 467 G HN 0.581 nan 8.290 nan 0.000 0.505 468 N N -0.696 118.032 118.700 0.046 0.000 2.294 468 N HA 0.359 5.089 4.740 -0.017 0.000 0.186 468 N C 1.112 176.683 175.510 0.102 0.000 1.107 468 N CA 0.695 53.788 53.050 0.073 0.000 0.884 468 N CB 0.007 38.524 38.487 0.049 0.000 1.030 468 N HN 0.964 nan 8.380 nan 0.000 0.482 469 A N 1.034 123.887 122.820 0.054 0.000 2.498 469 A HA 0.430 4.739 4.320 -0.017 0.000 0.239 469 A C -0.470 177.195 177.584 0.135 0.000 1.068 469 A CA -0.147 51.901 52.037 0.019 0.000 0.766 469 A CB -0.466 18.529 19.000 -0.008 0.000 1.003 469 A HN 0.476 nan 8.150 nan 0.000 0.497 470 F N 0.380 120.326 119.950 -0.007 0.000 2.619 470 F HA 0.791 5.308 4.527 -0.015 0.000 0.308 470 F C -0.332 175.462 175.800 -0.010 0.000 1.097 470 F CA -0.508 57.487 58.000 -0.009 0.000 0.953 470 F CB 0.974 39.969 39.000 -0.009 0.000 1.287 470 F HN 0.580 nan 8.300 nan 0.000 0.446 471 S N 1.340 117.175 115.700 0.224 0.000 2.971 471 S HA 0.847 5.306 4.470 -0.017 0.000 0.320 471 S C -1.418 173.271 174.600 0.149 0.000 1.111 471 S CA -0.878 57.380 58.200 0.097 0.000 0.870 471 S CB 1.503 64.724 63.200 0.034 0.000 1.331 471 S HN 1.106 nan 8.310 nan 0.000 0.635 472 R N 0.692 121.234 120.500 0.069 0.000 2.707 472 R HA 0.648 4.978 4.340 -0.017 0.000 0.272 472 R C -1.914 174.397 176.300 0.019 0.000 1.011 472 R CA -0.912 55.217 56.100 0.048 0.000 0.893 472 R CB 1.377 31.702 30.300 0.042 0.000 1.233 472 R HN 0.683 nan 8.270 nan 0.000 0.464 473 K N 1.947 122.348 120.400 0.003 0.000 2.464 473 K HA 0.562 4.871 4.320 -0.017 0.000 0.253 473 K C -1.202 175.389 176.600 -0.014 0.000 0.933 473 K CA -1.088 55.198 56.287 -0.002 0.000 0.801 473 K CB 2.698 35.198 32.500 0.000 0.000 1.271 473 K HN 0.627 nan 8.250 nan 0.000 0.430 474 R N 1.335 121.832 120.500 -0.006 0.000 2.480 474 R HA 0.371 4.700 4.340 -0.017 0.000 0.306 474 R C -1.121 175.186 176.300 0.012 0.000 0.958 474 R CA -0.876 55.221 56.100 -0.004 0.000 0.861 474 R CB 2.499 32.801 30.300 0.004 0.000 1.171 474 R HN 0.665 nan 8.270 nan 0.000 0.445 475 T N 2.438 117.005 114.554 0.020 0.000 2.786 475 T HA 0.243 4.582 4.350 -0.017 0.000 0.283 475 T C 0.043 174.777 174.700 0.058 0.000 0.992 475 T CA -0.617 61.505 62.100 0.036 0.000 0.954 475 T CB 1.518 70.407 68.868 0.036 0.000 0.934 475 T HN 0.137 nan 8.240 nan 0.000 0.440 476 V N 4.985 124.932 119.914 0.054 0.000 2.614 476 V HA 0.240 4.350 4.120 -0.017 0.000 0.291 476 V C 0.314 176.450 176.094 0.071 0.000 1.049 476 V CA -0.553 61.787 62.300 0.066 0.000 1.038 476 V CB 0.551 32.407 31.823 0.055 0.000 0.980 476 V HN 0.715 nan 8.190 nan 0.000 0.481 477 L N 5.225 126.500 121.223 0.087 0.000 2.259 477 L HA 0.290 4.620 4.340 -0.017 0.000 0.288 477 L C 1.460 178.373 176.870 0.072 0.000 1.051 477 L CA -0.177 54.712 54.840 0.082 0.000 0.824 477 L CB 1.018 43.136 42.059 0.099 0.000 1.206 477 L HN 0.918 nan 8.230 nan 0.000 0.429 478 T N -0.627 113.963 114.554 0.060 0.000 2.976 478 T HA 0.159 4.498 4.350 -0.017 0.000 0.257 478 T C 0.979 175.712 174.700 0.055 0.000 1.051 478 T CA 0.123 62.256 62.100 0.055 0.000 1.141 478 T CB 0.306 69.201 68.868 0.044 0.000 0.881 478 T HN 0.304 nan 8.240 nan 0.000 0.461 479 R N 0.851 121.383 120.500 0.053 0.000 2.807 479 R HA 0.494 4.824 4.340 -0.017 0.000 0.276 479 R C 0.782 177.119 176.300 0.062 0.000 0.979 479 R CA -0.678 55.455 56.100 0.054 0.000 0.928 479 R CB 1.229 31.555 30.300 0.043 0.000 1.191 479 R HN 0.261 nan 8.270 nan 0.000 0.471 480 E N 0.517 120.760 120.200 0.072 0.000 2.160 480 E HA -0.183 4.157 4.350 -0.017 0.000 0.195 480 E C 1.301 177.942 176.600 0.069 0.000 0.991 480 E CA 1.935 58.388 56.400 0.089 0.000 0.810 480 E CB 0.159 29.923 29.700 0.106 0.000 0.742 480 E HN 0.638 nan 8.360 nan 0.000 0.466 481 S N 1.013 116.743 115.700 0.050 0.000 2.469 481 S HA -0.178 4.282 4.470 -0.017 0.000 0.238 481 S C 1.556 176.163 174.600 0.011 0.000 0.998 481 S CA 1.295 59.514 58.200 0.031 0.000 0.957 481 S CB -0.270 62.946 63.200 0.027 0.000 0.764 481 S HN 0.461 nan 8.310 nan 0.000 0.514 482 E N 0.113 120.324 120.200 0.019 0.000 2.548 482 E HA 0.519 4.858 4.350 -0.017 0.000 0.206 482 E C 0.919 177.524 176.600 0.008 0.000 1.005 482 E CA 0.202 56.608 56.400 0.010 0.000 0.951 482 E CB 0.357 30.072 29.700 0.024 0.000 1.035 482 E HN 0.485 nan 8.360 nan 0.000 0.470 483 A N 1.019 123.843 122.820 0.007 0.000 2.460 483 A HA 0.298 4.607 4.320 -0.017 0.000 0.258 483 A C 0.317 177.843 177.584 -0.097 0.000 1.300 483 A CA -0.223 51.817 52.037 0.005 0.000 0.913 483 A CB 0.244 19.286 19.000 0.071 0.000 1.031 483 A HN 0.111 nan 8.150 nan 0.000 0.512 484 V N 2.919 122.704 119.914 -0.214 0.000 2.304 484 V HA 0.381 4.491 4.120 -0.017 0.000 0.269 484 V C -0.402 175.464 176.094 -0.380 0.000 1.036 484 V CA -0.681 61.297 62.300 -0.536 0.000 0.840 484 V CB 0.422 31.813 31.823 -0.720 0.000 1.036 484 V HN 0.448 nan 8.190 nan 0.000 0.466 485 R N 3.562 123.849 120.500 -0.355 0.000 2.732 485 R HA 0.640 4.970 4.340 -0.017 0.000 0.278 485 R C -0.153 176.097 176.300 -0.082 0.000 0.976 485 R CA -0.710 55.317 56.100 -0.121 0.000 0.963 485 R CB 2.134 32.476 30.300 0.071 0.000 1.150 485 R HN 0.892 nan 8.270 nan 0.000 0.478 486 E N 0.534 120.790 120.200 0.093 0.000 2.235 486 E HA 0.709 5.049 4.350 -0.017 0.000 0.265 486 E C -0.792 176.011 176.600 0.338 0.000 0.940 486 E CA -1.104 55.380 56.400 0.140 0.000 0.819 486 E CB 1.649 31.390 29.700 0.068 0.000 1.206 486 E HN 0.536 nan 8.360 nan 0.000 0.409 487 A N 1.262 124.278 122.820 0.326 0.000 2.366 487 A HA 0.254 4.564 4.320 -0.017 0.000 0.249 487 A C -0.293 177.395 177.584 0.172 0.000 1.084 487 A CA -0.125 52.123 52.037 0.351 0.000 0.794 487 A CB 0.376 19.567 19.000 0.319 0.000 1.034 487 A HN 0.699 nan 8.150 nan 0.000 0.491 488 D N 0.330 120.785 120.400 0.091 0.000 2.527 488 D HA 0.423 5.052 4.640 -0.017 0.000 0.242 488 D C 0.747 177.051 176.300 0.007 0.000 1.285 488 D CA 0.288 54.309 54.000 0.034 0.000 0.886 488 D CB 0.701 41.502 40.800 0.002 0.000 1.402 488 D HN 0.476 nan 8.370 nan 0.000 0.528 489 A N 2.638 125.481 122.820 0.038 0.000 1.940 489 A HA -0.207 4.102 4.320 -0.017 0.000 0.219 489 A C 2.053 179.638 177.584 0.001 0.000 1.176 489 A CA 1.781 53.836 52.037 0.031 0.000 0.631 489 A CB -0.174 18.859 19.000 0.054 0.000 0.814 489 A HN 0.437 nan 8.150 nan 0.000 0.446 490 R N 0.577 121.076 120.500 -0.002 0.000 2.117 490 R HA -0.128 4.202 4.340 -0.017 0.000 0.243 490 R C 1.706 177.985 176.300 -0.035 0.000 1.143 490 R CA 2.486 58.577 56.100 -0.016 0.000 0.968 490 R CB -1.010 29.285 30.300 -0.009 0.000 0.863 490 R HN 0.535 nan 8.270 nan 0.000 0.444 491 T N -3.437 111.093 114.554 -0.040 0.000 3.223 491 T HA 0.289 4.629 4.350 -0.017 0.000 0.259 491 T C 0.937 175.593 174.700 -0.072 0.000 1.015 491 T CA 0.041 62.108 62.100 -0.055 0.000 0.908 491 T CB 0.114 68.952 68.868 -0.051 0.000 1.054 491 T HN 0.424 nan 8.240 nan 0.000 0.567 492 G N 2.397 111.158 108.800 -0.064 0.000 2.341 492 G HA2 -0.351 3.599 3.960 -0.017 0.000 0.292 492 G HA3 -0.351 3.599 3.960 -0.017 0.000 0.292 492 G C 0.060 174.886 174.900 -0.124 0.000 1.021 492 G CA 0.232 45.294 45.100 -0.064 0.000 0.905 492 G HN 0.900 nan 8.290 nan 0.000 0.508 493 R N 0.548 120.937 120.500 -0.184 0.000 2.522 493 R HA 0.417 4.747 4.340 -0.017 0.000 0.284 493 R C 0.900 176.843 176.300 -0.594 0.000 1.032 493 R CA 1.034 56.904 56.100 -0.384 0.000 1.049 493 R CB 0.218 30.275 30.300 -0.404 0.000 0.956 493 R HN 0.488 nan 8.270 nan 0.000 0.422 494 T N 0.690 114.801 114.554 -0.738 0.000 2.838 494 T HA 0.537 4.877 4.350 -0.017 0.000 0.292 494 T C -1.074 173.094 174.700 -0.885 0.000 1.113 494 T CA -0.960 60.710 62.100 -0.717 0.000 1.008 494 T CB 1.251 69.874 68.868 -0.408 0.000 1.259 494 T HN 0.565 nan 8.240 nan 0.000 0.520 495 W N 0.642 121.889 121.300 -0.088 0.000 2.781 495 W HA 0.591 5.241 4.660 -0.017 0.000 0.333 495 W C -1.193 175.302 176.519 -0.041 0.000 1.047 495 W CA -1.169 56.148 57.345 -0.046 0.000 1.236 495 W CB 1.662 31.104 29.460 -0.031 0.000 1.394 495 W HN 0.591 nan 8.180 nan 0.000 0.466 496 I N 4.473 125.133 120.570 0.150 0.000 2.354 496 I HA 0.296 4.456 4.170 -0.017 0.000 0.292 496 I C -0.358 175.844 176.117 0.142 0.000 0.989 496 I CA -0.979 60.388 61.300 0.112 0.000 1.188 496 I CB 1.316 39.350 38.000 0.057 0.000 1.342 496 I HN 0.082 nan 8.210 nan 0.000 0.457 497 I N 6.162 126.822 120.570 0.150 0.000 2.312 497 I HA 0.298 4.458 4.170 -0.017 0.000 0.290 497 I C 0.353 176.556 176.117 0.143 0.000 1.008 497 I CA 0.276 61.659 61.300 0.139 0.000 1.226 497 I CB 1.237 39.312 38.000 0.125 0.000 1.371 497 I HN 0.591 nan 8.210 nan 0.000 0.468 498 S N 3.981 119.753 115.700 0.120 0.000 2.671 498 S HA 0.589 5.048 4.470 -0.017 0.000 0.299 498 S C -0.712 173.946 174.600 0.097 0.000 1.116 498 S CA -0.938 57.332 58.200 0.117 0.000 0.912 498 S CB 1.958 65.213 63.200 0.092 0.000 1.130 498 S HN 0.509 nan 8.310 nan 0.000 0.501 499 N N 1.850 120.601 118.700 0.085 0.000 2.558 499 N HA 0.368 5.097 4.740 -0.017 0.000 0.242 499 N C -2.004 173.529 175.510 0.038 0.000 0.979 499 N CA -2.332 50.753 53.050 0.059 0.000 0.931 499 N CB 1.458 39.973 38.487 0.046 0.000 1.122 499 N HN 0.386 nan 8.380 nan 0.000 0.508 500 P HA -0.055 nan 4.420 nan 0.000 0.231 500 P C -0.030 177.279 177.300 0.016 0.000 1.158 500 P CA 1.099 64.216 63.100 0.028 0.000 0.763 500 P CB 0.482 32.202 31.700 0.035 0.000 0.805 501 E N -1.167 119.040 120.200 0.012 0.000 2.526 501 E HA 0.142 4.482 4.350 -0.017 0.000 0.208 501 E C 0.147 176.738 176.600 -0.016 0.000 0.997 501 E CA -0.071 56.330 56.400 0.001 0.000 0.961 501 E CB 0.517 30.222 29.700 0.008 0.000 1.030 501 E HN -0.020 nan 8.360 nan 0.000 0.483 502 S N 1.285 116.970 115.700 -0.025 0.000 2.707 502 S HA 0.324 4.784 4.470 -0.017 0.000 0.312 502 S C -0.972 173.587 174.600 -0.068 0.000 1.116 502 S CA -0.697 57.468 58.200 -0.059 0.000 1.078 502 S CB 0.449 63.599 63.200 -0.083 0.000 0.997 502 S HN -0.032 nan 8.310 nan 0.000 0.477 503 K N 3.093 123.451 120.400 -0.070 0.000 2.207 503 K HA 0.397 4.707 4.320 -0.017 0.000 0.255 503 K C -0.110 176.437 176.600 -0.088 0.000 0.941 503 K CA -1.024 55.224 56.287 -0.065 0.000 0.825 503 K CB 1.098 33.574 32.500 -0.039 0.000 1.119 503 K HN 0.756 nan 8.250 nan 0.000 0.430 504 N N 0.861 119.510 118.700 -0.086 0.000 2.327 504 N HA -0.007 4.723 4.740 -0.017 0.000 0.257 504 N C 0.775 176.252 175.510 -0.055 0.000 1.281 504 N CA -0.370 52.627 53.050 -0.090 0.000 0.942 504 N CB 0.316 38.758 38.487 -0.076 0.000 1.199 504 N HN 0.589 nan 8.380 nan 0.000 0.532 505 R N -0.684 119.790 120.500 -0.043 0.000 2.241 505 R HA -0.016 4.313 4.340 -0.017 0.000 0.224 505 R C 0.521 176.808 176.300 -0.022 0.000 1.101 505 R CA 1.178 57.261 56.100 -0.028 0.000 0.995 505 R CB -0.718 29.570 30.300 -0.019 0.000 0.870 505 R HN 0.585 nan 8.270 nan 0.000 0.463 506 L N 1.136 122.346 121.223 -0.021 0.000 2.685 506 L HA 0.160 4.490 4.340 -0.017 0.000 0.233 506 L C 0.253 177.113 176.870 -0.017 0.000 1.173 506 L CA -0.166 54.665 54.840 -0.016 0.000 0.961 506 L CB -0.572 41.480 42.059 -0.012 0.000 1.217 506 L HN 0.413 nan 8.230 nan 0.000 0.478 507 N N 1.601 120.289 118.700 -0.021 0.000 2.735 507 N HA -0.159 4.570 4.740 -0.017 0.000 0.248 507 N C -0.383 175.117 175.510 -0.017 0.000 1.083 507 N CA 0.382 53.420 53.050 -0.020 0.000 0.703 507 N CB -0.012 38.465 38.487 -0.015 0.000 1.005 507 N HN 0.393 nan 8.380 nan 0.000 0.550 508 E N 0.622 120.811 120.200 -0.019 0.000 2.199 508 E HA 0.392 4.732 4.350 -0.017 0.000 0.269 508 E C -2.382 174.209 176.600 -0.016 0.000 0.899 508 E CA -1.618 54.775 56.400 -0.012 0.000 0.772 508 E CB 1.707 31.402 29.700 -0.007 0.000 1.155 508 E HN 0.176 nan 8.360 nan 0.000 0.408 509 P HA -0.038 nan 4.420 nan 0.000 0.267 509 P C 0.425 177.730 177.300 0.008 0.000 1.205 509 P CA -0.123 62.977 63.100 -0.001 0.000 0.765 509 P CB 0.400 32.110 31.700 0.017 0.000 0.828 510 V N 1.534 121.440 119.914 -0.014 0.000 2.999 510 V HA 0.654 4.764 4.120 -0.017 0.000 0.307 510 V C 0.624 176.812 176.094 0.157 0.000 1.084 510 V CA 0.424 62.734 62.300 0.016 0.000 1.155 510 V CB -0.159 31.566 31.823 -0.165 0.000 0.975 510 V HN 0.868 nan 8.190 nan 0.000 0.490 511 G N 1.929 110.879 108.800 0.251 0.000 2.559 511 G HA2 0.582 4.531 3.960 -0.017 0.000 0.291 511 G HA3 0.582 4.531 3.960 -0.017 0.000 0.291 511 G C -2.300 172.736 174.900 0.227 0.000 1.424 511 G CA -0.744 44.501 45.100 0.243 0.000 0.786 511 G HN 0.784 nan 8.290 nan 0.000 0.485 512 Y N -0.079 120.244 120.300 0.039 0.000 2.457 512 Y HA 0.624 5.164 4.550 -0.016 0.000 0.343 512 Y C 0.086 176.009 175.900 0.038 0.000 0.994 512 Y CA -0.808 57.299 58.100 0.012 0.000 1.031 512 Y CB 2.789 41.226 38.460 -0.039 0.000 1.246 512 Y HN 0.525 nan 8.280 nan 0.000 0.449 513 K N 3.918 124.375 120.400 0.095 0.000 2.235 513 K HA 0.539 4.848 4.320 -0.017 0.000 0.266 513 K C -1.695 174.906 176.600 0.001 0.000 0.980 513 K CA -0.860 55.429 56.287 0.003 0.000 0.849 513 K CB 1.028 33.459 32.500 -0.116 0.000 1.098 513 K HN 0.621 nan 8.250 nan 0.000 0.445 514 L N 5.120 126.351 121.223 0.013 0.000 2.260 514 L HA 0.294 4.623 4.340 -0.017 0.000 0.289 514 L C -1.374 175.478 176.870 -0.031 0.000 1.057 514 L CA 0.041 54.932 54.840 0.085 0.000 0.811 514 L CB 0.439 42.577 42.059 0.132 0.000 1.184 514 L HN 0.659 nan 8.230 nan 0.000 0.429 515 H N 4.527 123.713 119.070 0.194 0.000 2.581 515 H HA 0.704 5.250 4.556 -0.018 0.000 0.308 515 H C -0.021 175.458 175.328 0.253 0.000 1.040 515 H CA -0.038 56.120 56.048 0.183 0.000 1.231 515 H CB 1.242 31.096 29.762 0.153 0.000 1.396 515 H HN 0.868 nan 8.280 nan 0.000 0.467 516 A N 2.212 125.247 122.820 0.360 0.000 2.264 516 A HA 0.214 4.524 4.320 -0.017 0.000 0.304 516 A C 0.364 178.259 177.584 0.518 0.000 1.100 516 A CA -0.592 51.697 52.037 0.420 0.000 0.839 516 A CB 0.496 19.776 19.000 0.467 0.000 1.121 516 A HN 1.019 nan 8.150 nan 0.000 0.496 517 H N 0.729 119.996 119.070 0.329 0.000 2.551 517 H HA 0.001 4.547 4.556 -0.017 0.000 0.266 517 H C -0.129 175.327 175.328 0.214 0.000 0.977 517 H CA 0.224 56.413 56.048 0.235 0.000 1.163 517 H CB 0.166 30.059 29.762 0.219 0.000 1.381 517 H HN 0.749 nan 8.280 nan 0.000 0.581 518 N N 1.992 120.921 118.700 0.382 0.000 2.735 518 N HA -0.170 4.559 4.740 -0.017 0.000 0.248 518 N C -0.575 175.070 175.510 0.226 0.000 1.083 518 N CA 0.559 53.779 53.050 0.283 0.000 0.703 518 N CB -0.935 37.679 38.487 0.212 0.000 1.005 518 N HN 0.537 nan 8.380 nan 0.000 0.550 519 Q N -0.112 119.837 119.800 0.249 0.000 2.368 519 Q HA 0.326 4.655 4.340 -0.017 0.000 0.237 519 Q C -1.870 174.211 176.000 0.135 0.000 0.987 519 Q CA -1.075 54.839 55.803 0.184 0.000 0.896 519 Q CB 0.260 29.119 28.738 0.202 0.000 1.241 519 Q HN 0.124 nan 8.270 nan 0.000 0.485 520 P HA -0.033 nan 4.420 nan 0.000 0.266 520 P C -0.148 177.167 177.300 0.026 0.000 1.195 520 P CA 0.318 63.450 63.100 0.053 0.000 0.768 520 P CB 0.486 32.204 31.700 0.030 0.000 0.838 521 T N 0.577 115.142 114.554 0.018 0.000 2.924 521 T HA 0.281 4.620 4.350 -0.017 0.000 0.301 521 T C 0.315 174.972 174.700 -0.072 0.000 1.120 521 T CA -0.835 61.255 62.100 -0.016 0.000 0.940 521 T CB -0.028 68.846 68.868 0.010 0.000 1.591 521 T HN 0.169 nan 8.240 nan 0.000 0.578 522 L N 1.167 122.322 121.223 -0.113 0.000 2.584 522 L HA 0.172 4.501 4.340 -0.017 0.000 0.272 522 L C 0.900 177.714 176.870 -0.094 0.000 1.195 522 L CA 0.227 54.980 54.840 -0.145 0.000 0.920 522 L CB -0.447 41.497 42.059 -0.193 0.000 1.173 522 L HN 0.616 nan 8.230 nan 0.000 0.489 523 L N 4.976 126.143 121.223 -0.094 0.000 2.341 523 L HA 0.173 4.503 4.340 -0.017 0.000 0.214 523 L C 1.434 178.280 176.870 -0.040 0.000 1.115 523 L CA 0.251 55.059 54.840 -0.053 0.000 0.820 523 L CB -0.516 41.515 42.059 -0.046 0.000 0.944 523 L HN 0.833 nan 8.230 nan 0.000 0.452 524 A N 0.780 123.564 122.820 -0.059 0.000 2.555 524 A HA -0.111 4.198 4.320 -0.017 0.000 0.233 524 A C 0.336 177.906 177.584 -0.024 0.000 1.060 524 A CA -0.075 51.939 52.037 -0.038 0.000 0.759 524 A CB -0.102 18.867 19.000 -0.051 0.000 0.995 524 A HN 0.291 nan 8.150 nan 0.000 0.506 525 D N 2.761 123.157 120.400 -0.007 0.000 2.525 525 D HA -0.018 4.612 4.640 -0.017 0.000 0.235 525 D C -1.063 175.232 176.300 -0.010 0.000 1.137 525 D CA -0.663 53.336 54.000 -0.002 0.000 0.868 525 D CB 0.827 41.631 40.800 0.007 0.000 1.180 525 D HN 0.310 nan 8.370 nan 0.000 0.465 526 P HA -0.107 nan 4.420 nan 0.000 0.221 526 P C 1.023 178.314 177.300 -0.015 0.000 1.145 526 P CA 0.921 64.012 63.100 -0.015 0.000 0.795 526 P CB 0.086 31.780 31.700 -0.011 0.000 0.775 527 G N -0.089 108.706 108.800 -0.009 0.000 2.985 527 G HA2 0.031 3.981 3.960 -0.017 0.000 0.209 527 G HA3 0.031 3.981 3.960 -0.017 0.000 0.209 527 G C 0.620 175.517 174.900 -0.006 0.000 1.165 527 G CA 0.095 45.190 45.100 -0.009 0.000 0.776 527 G HN 0.444 nan 8.290 nan 0.000 0.541 528 S N -0.576 115.124 115.700 -0.001 0.000 2.614 528 S HA 0.307 4.766 4.470 -0.017 0.000 0.265 528 S C 1.603 176.199 174.600 -0.007 0.000 1.303 528 S CA 0.434 58.645 58.200 0.018 0.000 1.000 528 S CB 1.694 64.911 63.200 0.028 0.000 0.935 528 S HN 0.095 nan 8.310 nan 0.000 0.551 529 S N 0.813 116.514 115.700 0.002 0.000 2.356 529 S HA -0.150 4.309 4.470 -0.017 0.000 0.223 529 S C 1.691 176.246 174.600 -0.075 0.000 1.032 529 S CA 1.224 59.358 58.200 -0.109 0.000 1.005 529 S CB -0.820 62.186 63.200 -0.323 0.000 0.867 529 S HN 0.716 nan 8.310 nan 0.000 0.449 530 I N 2.081 122.650 120.570 -0.001 0.000 2.361 530 I HA 0.011 4.171 4.170 -0.017 0.000 0.251 530 I C 2.346 178.446 176.117 -0.029 0.000 1.133 530 I CA 1.236 62.543 61.300 0.011 0.000 1.413 530 I CB -0.972 37.027 38.000 -0.003 0.000 1.073 530 I HN 0.342 nan 8.210 nan 0.000 0.424 531 A N 0.305 123.099 122.820 -0.043 0.000 1.933 531 A HA -0.188 4.122 4.320 -0.017 0.000 0.218 531 A C 2.460 180.009 177.584 -0.058 0.000 1.175 531 A CA 1.600 53.601 52.037 -0.060 0.000 0.628 531 A CB -0.540 18.434 19.000 -0.044 0.000 0.814 531 A HN 0.460 nan 8.150 nan 0.000 0.444 532 R N -0.942 119.522 120.500 -0.059 0.000 2.075 532 R HA 0.032 4.362 4.340 -0.017 0.000 0.226 532 R C 2.382 178.632 176.300 -0.085 0.000 1.114 532 R CA 1.140 57.194 56.100 -0.077 0.000 0.972 532 R CB -0.230 30.011 30.300 -0.099 0.000 0.869 532 R HN 0.451 nan 8.270 nan 0.000 0.437 533 R N 0.298 120.761 120.500 -0.061 0.000 2.115 533 R HA 0.037 4.366 4.340 -0.017 0.000 0.226 533 R C 1.036 177.404 176.300 0.112 0.000 1.100 533 R CA 1.184 57.261 56.100 -0.038 0.000 0.980 533 R CB 0.141 30.437 30.300 -0.006 0.000 0.875 533 R HN 0.071 nan 8.270 nan 0.000 0.445 534 A N 0.234 123.135 122.820 0.136 0.000 2.911 534 A HA 0.490 4.800 4.320 -0.017 0.000 0.304 534 A C 1.267 178.695 177.584 -0.260 0.000 1.144 534 A CA 0.006 52.078 52.037 0.058 0.000 0.988 534 A CB 0.206 19.149 19.000 -0.095 0.000 1.141 534 A HN 0.252 nan 8.150 nan 0.000 0.552 535 A N 0.422 123.181 122.820 -0.101 0.000 1.948 535 A HA -0.115 4.194 4.320 -0.017 0.000 0.220 535 A C 1.817 179.363 177.584 -0.064 0.000 1.177 535 A CA 1.922 53.914 52.037 -0.076 0.000 0.636 535 A CB -0.984 17.988 19.000 -0.046 0.000 0.815 535 A HN 1.360 nan 8.150 nan 0.000 0.449 536 F N -0.235 119.572 119.950 -0.238 0.000 2.202 536 F HA 0.024 4.541 4.527 -0.017 0.000 0.301 536 F C 2.071 177.919 175.800 0.081 0.000 1.082 536 F CA 0.849 58.617 58.000 -0.388 0.000 1.313 536 F CB -0.930 37.720 39.000 -0.584 0.000 1.024 536 F HN 0.153 nan 8.300 nan 0.000 0.495 537 A N 0.497 122.668 122.820 -1.081 0.000 2.209 537 A HA -0.026 4.284 4.320 -0.017 0.000 0.212 537 A C 2.099 179.546 177.584 -0.228 0.000 1.158 537 A CA 1.374 52.975 52.037 -0.727 0.000 0.742 537 A CB -1.488 16.912 19.000 -1.000 0.000 0.790 537 A HN 0.585 nan 8.150 nan 0.000 0.472 538 T N -3.708 110.799 114.554 -0.078 0.000 3.100 538 T HA 0.201 4.541 4.350 -0.017 0.000 0.253 538 T C 0.570 175.298 174.700 0.048 0.000 1.118 538 T CA 0.197 62.292 62.100 -0.007 0.000 1.058 538 T CB 0.113 68.988 68.868 0.012 0.000 0.953 538 T HN 0.078 nan 8.240 nan 0.000 0.515 539 K N 1.049 121.539 120.400 0.151 0.000 2.426 539 K HA 0.399 4.708 4.320 -0.017 0.000 0.251 539 K C -0.441 176.238 176.600 0.132 0.000 0.941 539 K CA -0.506 55.797 56.287 0.027 0.000 0.808 539 K CB 2.167 34.451 32.500 -0.360 0.000 1.265 539 K HN -0.044 nan 8.250 nan 0.000 0.432 540 D N 0.419 120.845 120.400 0.043 0.000 2.149 540 D HA -0.040 4.590 4.640 -0.017 0.000 0.201 540 D C 0.036 176.382 176.300 0.076 0.000 0.972 540 D CA 0.904 54.972 54.000 0.113 0.000 0.835 540 D CB 0.298 41.200 40.800 0.169 0.000 0.966 540 D HN 0.137 nan 8.370 nan 0.000 0.476 541 L N -0.458 120.647 121.223 -0.196 0.000 2.455 541 L HA 0.465 4.794 4.340 -0.017 0.000 0.264 541 L C -2.000 174.730 176.870 -0.234 0.000 0.968 541 L CA -0.634 54.055 54.840 -0.253 0.000 0.827 541 L CB 1.534 42.994 42.059 -0.999 0.000 1.317 541 L HN -0.124 nan 8.230 nan 0.000 0.407 542 W N 4.005 125.295 121.300 -0.018 0.000 2.936 542 W HA 0.767 5.417 4.660 -0.017 0.000 0.338 542 W C -1.231 175.396 176.519 0.181 0.000 1.121 542 W CA -0.825 56.549 57.345 0.049 0.000 1.209 542 W CB 2.037 31.505 29.460 0.013 0.000 1.420 542 W HN 0.165 nan 8.180 nan 0.000 0.516 543 V N 2.509 122.641 119.914 0.365 0.000 2.483 543 V HA 0.697 4.807 4.120 -0.017 0.000 0.297 543 V C -0.076 176.222 176.094 0.339 0.000 1.027 543 V CA -0.819 61.680 62.300 0.331 0.000 0.855 543 V CB 1.328 33.256 31.823 0.176 0.000 0.995 543 V HN 0.594 nan 8.190 nan 0.000 0.424 544 T N 1.574 116.380 114.554 0.419 0.000 2.930 544 T HA 0.759 5.099 4.350 -0.017 0.000 0.290 544 T C -0.439 174.398 174.700 0.230 0.000 1.052 544 T CA -0.964 61.336 62.100 0.333 0.000 1.017 544 T CB 2.135 71.269 68.868 0.442 0.000 1.137 544 T HN 0.499 nan 8.240 nan 0.000 0.511 545 R N 0.834 121.426 120.500 0.152 0.000 2.265 545 R HA 0.341 4.671 4.340 -0.017 0.000 0.314 545 R C -0.849 175.500 176.300 0.081 0.000 1.053 545 R CA -0.970 55.196 56.100 0.110 0.000 0.931 545 R CB -0.607 29.736 30.300 0.071 0.000 1.024 545 R HN 0.772 nan 8.270 nan 0.000 0.457 546 Y N 3.209 123.494 120.300 -0.024 0.000 2.805 546 Y HA 0.254 4.793 4.550 -0.017 0.000 0.337 546 Y C -0.728 175.109 175.900 -0.105 0.000 1.252 546 Y CA 1.022 59.073 58.100 -0.082 0.000 1.515 546 Y CB 0.446 38.816 38.460 -0.149 0.000 1.305 546 Y HN 0.747 nan 8.280 nan 0.000 0.600 547 A N 4.787 126.927 122.820 -1.134 0.000 2.488 547 A HA 0.289 4.599 4.320 -0.017 0.000 0.295 547 A C 0.003 176.925 177.584 -1.104 0.000 1.045 547 A CA -0.314 51.197 52.037 -0.877 0.000 0.703 547 A CB 0.590 19.299 19.000 -0.486 0.000 1.271 547 A HN 0.817 nan 8.150 nan 0.000 0.400 548 D N 1.408 121.360 120.400 -0.746 0.000 2.309 548 D HA -0.158 4.471 4.640 -0.017 0.000 0.212 548 D C 0.560 176.669 176.300 -0.318 0.000 0.968 548 D CA 1.556 55.304 54.000 -0.421 0.000 0.882 548 D CB 0.045 40.777 40.800 -0.113 0.000 0.918 548 D HN 0.544 nan 8.370 nan 0.000 0.503 549 D N -0.136 120.066 120.400 -0.330 0.000 2.340 549 D HA -0.028 4.602 4.640 -0.017 0.000 0.217 549 D C -0.219 175.871 176.300 -0.350 0.000 1.081 549 D CA -0.199 53.644 54.000 -0.261 0.000 0.842 549 D CB -0.581 40.111 40.800 -0.179 0.000 0.934 549 D HN 0.242 nan 8.370 nan 0.000 0.511 550 E N 0.689 120.594 120.200 -0.491 0.000 2.261 550 E HA 0.322 4.662 4.350 -0.017 0.000 0.239 550 E C 0.556 177.012 176.600 -0.240 0.000 0.991 550 E CA -0.261 55.762 56.400 -0.629 0.000 0.847 550 E CB 1.093 30.206 29.700 -0.980 0.000 1.223 550 E HN 0.085 nan 8.360 nan 0.000 0.446 551 R N 0.946 121.275 120.500 -0.285 0.000 2.146 551 R HA 0.109 4.439 4.340 -0.017 0.000 0.206 551 R C -0.118 175.877 176.300 -0.507 0.000 1.049 551 R CA 0.700 56.466 56.100 -0.557 0.000 1.029 551 R CB 0.510 30.141 30.300 -1.114 0.000 0.949 551 R HN 0.281 nan 8.270 nan 0.000 0.471 552 Y N -0.225 120.199 120.300 0.207 0.000 2.462 552 Y HA 0.299 4.839 4.550 -0.017 0.000 0.346 552 Y C -1.799 174.055 175.900 -0.075 0.000 0.976 552 Y CA -3.179 54.984 58.100 0.105 0.000 1.044 552 Y CB 1.230 39.642 38.460 -0.080 0.000 1.230 552 Y HN -0.153 nan 8.280 nan 0.000 0.455 553 P HA -0.087 nan 4.420 nan 0.000 0.230 553 P C 0.666 177.660 177.300 -0.511 0.000 1.158 553 P CA 1.421 64.114 63.100 -0.678 0.000 0.769 553 P CB 0.142 31.321 31.700 -0.867 0.000 0.807 554 T N -5.012 109.361 114.554 -0.302 0.000 3.044 554 T HA 0.507 4.846 4.350 -0.017 0.000 0.260 554 T C 0.888 175.485 174.700 -0.171 0.000 1.019 554 T CA 0.128 62.095 62.100 -0.223 0.000 0.921 554 T CB -0.009 68.720 68.868 -0.231 0.000 1.053 554 T HN 0.326 nan 8.240 nan 0.000 0.533 555 G N 1.354 110.098 108.800 -0.093 0.000 2.712 555 G HA2 -0.146 3.804 3.960 -0.017 0.000 0.683 555 G HA3 -0.146 3.804 3.960 -0.017 0.000 0.683 555 G C -0.270 174.594 174.900 -0.061 0.000 1.320 555 G CA -0.146 44.933 45.100 -0.035 0.000 0.847 555 G HN 0.132 nan 8.290 nan 0.000 0.553 556 D N -0.598 119.660 120.400 -0.236 0.000 2.183 556 D HA 0.095 4.725 4.640 -0.017 0.000 0.203 556 D C 0.827 176.550 176.300 -0.963 0.000 0.969 556 D CA 1.425 55.066 54.000 -0.597 0.000 0.842 556 D CB -0.051 40.128 40.800 -1.036 0.000 0.957 556 D HN 0.234 nan 8.370 nan 0.000 0.484 557 F N -0.034 119.754 119.950 -0.269 0.000 2.434 557 F HA 0.238 4.755 4.527 -0.017 0.000 0.367 557 F C 1.021 176.649 175.800 -0.287 0.000 1.093 557 F CA -0.702 57.096 58.000 -0.338 0.000 1.085 557 F CB 1.399 40.133 39.000 -0.443 0.000 1.322 557 F HN -0.362 nan 8.300 nan 0.000 0.452 558 V N 0.209 120.037 119.914 -0.143 0.000 2.500 558 V HA -0.083 4.026 4.120 -0.017 0.000 0.243 558 V C 1.126 177.119 176.094 -0.169 0.000 1.039 558 V CA 0.361 62.518 62.300 -0.237 0.000 1.053 558 V CB -0.444 31.102 31.823 -0.462 0.000 0.695 558 V HN 0.675 nan 8.190 nan 0.000 0.463 559 N N 1.752 120.388 118.700 -0.108 0.000 2.315 559 N HA -0.105 4.625 4.740 -0.017 0.000 0.270 559 N C 0.516 176.009 175.510 -0.028 0.000 1.329 559 N CA 0.792 53.806 53.050 -0.060 0.000 0.860 559 N CB -0.329 38.132 38.487 -0.044 0.000 1.095 559 N HN 0.486 nan 8.380 nan 0.000 0.487 560 Q N -0.088 119.702 119.800 -0.017 0.000 2.461 560 Q HA -0.310 4.019 4.340 -0.017 0.000 0.273 560 Q C -0.975 175.030 176.000 0.008 0.000 1.163 560 Q CA 0.890 56.685 55.803 -0.014 0.000 0.929 560 Q CB -1.730 27.001 28.738 -0.011 0.000 1.334 560 Q HN 0.704 nan 8.270 nan 0.000 0.499 561 H N -0.018 118.969 119.070 -0.137 0.000 2.466 561 H HA 0.491 5.037 4.556 -0.017 0.000 0.338 561 H C 0.191 175.425 175.328 -0.157 0.000 1.091 561 H CA 0.026 55.992 56.048 -0.137 0.000 1.207 561 H CB 0.956 30.641 29.762 -0.128 0.000 1.466 561 H HN 0.227 nan 8.280 nan 0.000 0.493 562 S N 2.767 118.131 115.700 -0.561 0.000 2.625 562 S HA 0.403 4.863 4.470 -0.017 0.000 0.258 562 S C 0.969 175.184 174.600 -0.641 0.000 1.256 562 S CA -0.358 57.551 58.200 -0.486 0.000 0.983 562 S CB 0.294 63.296 63.200 -0.329 0.000 1.032 562 S HN 0.831 nan 8.310 nan 0.000 0.572 563 G N -1.780 106.792 108.800 -0.380 0.000 2.634 563 G HA2 0.479 4.428 3.960 -0.017 0.000 0.255 563 G HA3 0.479 4.428 3.960 -0.017 0.000 0.255 563 G C 0.825 175.549 174.900 -0.293 0.000 1.205 563 G CA -0.302 44.618 45.100 -0.300 0.000 0.884 563 G HN 1.897 nan 8.290 nan 0.000 0.549 564 G N -1.790 106.895 108.800 -0.192 0.000 2.551 564 G HA2 0.366 4.315 3.960 -0.017 0.000 0.186 564 G HA3 0.366 4.315 3.960 -0.017 0.000 0.186 564 G C 0.339 175.207 174.900 -0.054 0.000 1.002 564 G CA 0.739 45.777 45.100 -0.103 0.000 0.723 564 G HN 1.743 nan 8.290 nan 0.000 0.481 565 A N -0.450 122.332 122.820 -0.063 0.000 2.578 565 A HA 1.083 5.392 4.320 -0.017 0.000 0.255 565 A C 1.387 178.765 177.584 -0.344 0.000 1.251 565 A CA 0.906 52.887 52.037 -0.095 0.000 0.882 565 A CB 0.560 19.597 19.000 0.061 0.000 1.416 565 A HN 2.232 nan 8.150 nan 0.000 0.462 566 G N -1.753 106.706 108.800 -0.569 0.000 2.645 566 G HA2 -0.141 3.809 3.960 -0.017 0.000 0.246 566 G HA3 -0.141 3.809 3.960 -0.017 0.000 0.246 566 G C 0.750 174.708 174.900 -1.570 0.000 1.322 566 G CA 0.102 44.609 45.100 -0.988 0.000 0.898 566 G HN 1.263 nan 8.290 nan 0.000 0.573 567 L N 0.856 121.321 121.223 -1.264 0.000 2.034 567 L HA -0.148 4.182 4.340 -0.017 0.000 0.217 567 L C 0.348 176.873 176.870 -0.576 0.000 1.077 567 L CA 2.725 56.934 54.840 -1.052 0.000 0.769 567 L CB -1.390 39.825 42.059 -1.406 0.000 0.890 567 L HN 0.445 nan 8.230 nan 0.000 0.435 568 P HA -0.167 nan 4.420 nan 0.000 0.218 568 P C 1.817 179.046 177.300 -0.118 0.000 1.148 568 P CA 1.843 64.871 63.100 -0.120 0.000 0.822 568 P CB -0.010 31.630 31.700 -0.100 0.000 0.784 569 S N -2.376 113.182 115.700 -0.237 0.000 2.377 569 S HA -0.155 4.305 4.470 -0.017 0.000 0.223 569 S C 1.899 176.514 174.600 0.026 0.000 1.030 569 S CA 0.732 58.867 58.200 -0.109 0.000 0.970 569 S CB -1.604 61.528 63.200 -0.113 0.000 0.830 569 S HN -0.019 nan 8.310 nan 0.000 0.473 570 Y N 2.413 122.654 120.300 -0.097 0.000 2.097 570 Y HA 0.001 4.541 4.550 -0.017 0.000 0.282 570 Y C 2.586 178.470 175.900 -0.027 0.000 1.152 570 Y CA -0.199 57.850 58.100 -0.084 0.000 1.136 570 Y CB -1.214 37.156 38.460 -0.151 0.000 0.975 570 Y HN 0.205 nan 8.280 nan 0.000 0.498 571 I N 0.145 120.809 120.570 0.155 0.000 2.248 571 I HA -0.290 3.869 4.170 -0.017 0.000 0.248 571 I C 2.499 178.675 176.117 0.099 0.000 1.107 571 I CA 1.471 62.857 61.300 0.143 0.000 1.373 571 I CB -1.714 36.403 38.000 0.195 0.000 1.055 571 I HN 0.150 nan 8.210 nan 0.000 0.418 572 A N 0.161 123.025 122.820 0.075 0.000 2.076 572 A HA -0.231 4.078 4.320 -0.017 0.000 0.220 572 A C 2.166 179.780 177.584 0.049 0.000 1.160 572 A CA 1.235 53.303 52.037 0.051 0.000 0.653 572 A CB -0.611 18.409 19.000 0.034 0.000 0.801 572 A HN 0.551 nan 8.150 nan 0.000 0.455 573 Q N -1.348 118.488 119.800 0.060 0.000 2.291 573 Q HA -0.135 4.194 4.340 -0.017 0.000 0.206 573 Q C 0.171 176.198 176.000 0.044 0.000 0.976 573 Q CA 0.608 56.439 55.803 0.047 0.000 0.875 573 Q CB -0.121 28.644 28.738 0.046 0.000 0.927 573 Q HN 0.611 nan 8.270 nan 0.000 0.450 574 D N 0.608 121.041 120.400 0.054 0.000 2.689 574 D HA -0.169 4.460 4.640 -0.017 0.000 0.237 574 D C -0.904 175.424 176.300 0.047 0.000 1.148 574 D CA 0.613 54.644 54.000 0.050 0.000 0.656 574 D CB -0.580 40.243 40.800 0.039 0.000 1.050 574 D HN 0.228 nan 8.370 nan 0.000 0.426 575 R N 0.333 120.865 120.500 0.053 0.000 2.637 575 R HA 0.311 4.641 4.340 -0.017 0.000 0.269 575 R C 0.265 176.597 176.300 0.054 0.000 1.089 575 R CA -0.514 55.615 56.100 0.048 0.000 1.177 575 R CB 0.387 30.715 30.300 0.046 0.000 1.091 575 R HN 0.151 nan 8.270 nan 0.000 0.540 576 D N 1.707 122.136 120.400 0.049 0.000 2.343 576 D HA 0.046 4.675 4.640 -0.017 0.000 0.255 576 D C 0.518 176.855 176.300 0.062 0.000 1.187 576 D CA -0.073 53.957 54.000 0.051 0.000 0.875 576 D CB 0.574 41.400 40.800 0.043 0.000 1.136 576 D HN 0.535 nan 8.370 nan 0.000 0.469 577 I N -0.173 120.439 120.570 0.069 0.000 4.081 577 I HA 0.328 4.487 4.170 -0.017 0.000 0.333 577 I C 0.311 176.475 176.117 0.078 0.000 1.413 577 I CA -0.477 60.872 61.300 0.082 0.000 1.110 577 I CB 0.415 38.473 38.000 0.098 0.000 1.082 577 I HN 0.097 nan 8.210 nan 0.000 0.402 578 D N 3.160 123.600 120.400 0.066 0.000 2.435 578 D HA 0.319 4.948 4.640 -0.017 0.000 0.230 578 D C 1.120 177.456 176.300 0.059 0.000 1.215 578 D CA 0.658 54.695 54.000 0.062 0.000 0.947 578 D CB 0.301 41.132 40.800 0.052 0.000 1.048 578 D HN 0.551 nan 8.370 nan 0.000 0.512 579 G N 3.170 112.010 108.800 0.066 0.000 2.303 579 G HA2 -0.186 3.764 3.960 -0.017 0.000 0.260 579 G HA3 -0.186 3.764 3.960 -0.017 0.000 0.260 579 G C -0.036 174.906 174.900 0.069 0.000 1.106 579 G CA -0.292 44.847 45.100 0.064 0.000 0.900 579 G HN 0.481 nan 8.290 nan 0.000 0.495 580 Q N -0.715 119.133 119.800 0.080 0.000 2.683 580 Q HA 0.404 4.734 4.340 -0.017 0.000 0.302 580 Q C -0.945 175.116 176.000 0.102 0.000 1.042 580 Q CA -0.918 54.934 55.803 0.081 0.000 0.773 580 Q CB 1.017 29.797 28.738 0.071 0.000 1.508 580 Q HN 0.229 nan 8.270 nan 0.000 0.459 581 D N 1.852 122.301 120.400 0.082 0.000 2.344 581 D HA 0.294 4.923 4.640 -0.017 0.000 0.253 581 D C -0.408 175.950 176.300 0.098 0.000 1.255 581 D CA 0.063 54.099 54.000 0.059 0.000 0.894 581 D CB -0.271 40.455 40.800 -0.122 0.000 1.067 581 D HN 0.431 nan 8.370 nan 0.000 0.492 582 I N 0.113 120.756 120.570 0.121 0.000 2.957 582 I HA 0.685 4.845 4.170 -0.017 0.000 0.310 582 I C -1.006 175.169 176.117 0.098 0.000 1.063 582 I CA -1.064 60.311 61.300 0.124 0.000 1.033 582 I CB 2.261 40.332 38.000 0.119 0.000 1.230 582 I HN -0.082 nan 8.210 nan 0.000 0.447 583 V N 3.749 123.715 119.914 0.087 0.000 2.638 583 V HA 0.422 4.531 4.120 -0.017 0.000 0.306 583 V C -0.227 175.831 176.094 -0.060 0.000 1.052 583 V CA -0.671 61.590 62.300 -0.066 0.000 0.885 583 V CB 1.826 33.542 31.823 -0.177 0.000 0.999 583 V HN 0.574 nan 8.190 nan 0.000 0.424 584 V N 3.739 123.563 119.914 -0.150 0.000 2.394 584 V HA 0.466 4.576 4.120 -0.017 0.000 0.282 584 V C -1.115 174.912 176.094 -0.113 0.000 1.031 584 V CA -0.444 61.842 62.300 -0.023 0.000 0.881 584 V CB 1.576 33.388 31.823 -0.019 0.000 0.982 584 V HN 0.918 nan 8.190 nan 0.000 0.451 585 W N 4.121 125.469 121.300 0.079 0.000 2.362 585 W HA 0.517 5.167 4.660 -0.017 0.000 0.316 585 W C -0.180 176.441 176.519 0.170 0.000 1.024 585 W CA -0.631 56.764 57.345 0.084 0.000 1.270 585 W CB 0.542 30.024 29.460 0.036 0.000 1.273 585 W HN 0.596 nan 8.180 nan 0.000 0.424 586 H N 1.662 120.824 119.070 0.154 0.000 2.504 586 H HA 0.509 5.055 4.556 -0.017 0.000 0.322 586 H C -0.379 175.126 175.328 0.295 0.000 1.055 586 H CA -0.305 55.795 56.048 0.086 0.000 1.231 586 H CB 1.016 30.630 29.762 -0.247 0.000 1.417 586 H HN 0.181 nan 8.280 nan 0.000 0.472 587 T N 7.367 121.945 114.554 0.040 0.000 2.771 587 T HA 0.405 4.745 4.350 -0.017 0.000 0.291 587 T C -0.994 173.609 174.700 -0.162 0.000 0.954 587 T CA -0.262 61.866 62.100 0.047 0.000 1.045 587 T CB -0.374 68.614 68.868 0.200 0.000 0.917 587 T HN 0.494 nan 8.240 nan 0.000 0.484 588 F N 0.102 119.935 119.950 -0.195 0.000 2.604 588 F HA 0.828 5.345 4.527 -0.017 0.000 0.316 588 F C -0.266 175.627 175.800 0.155 0.000 1.136 588 F CA -1.133 56.819 58.000 -0.081 0.000 0.989 588 F CB 1.009 39.931 39.000 -0.129 0.000 1.258 588 F HN 0.761 nan 8.300 nan 0.000 0.451 589 G N 2.214 111.102 108.800 0.147 0.000 2.645 589 G HA2 0.649 4.599 3.960 -0.017 0.000 0.292 589 G HA3 0.649 4.599 3.960 -0.017 0.000 0.292 589 G C -2.387 172.575 174.900 0.103 0.000 1.415 589 G CA -1.181 43.987 45.100 0.114 0.000 0.785 589 G HN 0.811 nan 8.290 nan 0.000 0.483 590 L N 0.337 121.575 121.223 0.024 0.000 2.317 590 L HA 0.594 4.924 4.340 -0.017 0.000 0.281 590 L C -0.125 176.579 176.870 -0.278 0.000 1.024 590 L CA -0.635 54.146 54.840 -0.098 0.000 0.810 590 L CB 2.404 44.339 42.059 -0.208 0.000 1.240 590 L HN 0.404 nan 8.230 nan 0.000 0.427 591 T N 0.886 115.293 114.554 -0.245 0.000 2.772 591 T HA 0.380 4.720 4.350 -0.017 0.000 0.288 591 T C -0.667 173.791 174.700 -0.403 0.000 0.994 591 T CA -0.444 61.425 62.100 -0.385 0.000 0.951 591 T CB 0.190 68.891 68.868 -0.279 0.000 0.933 591 T HN 0.418 nan 8.240 nan 0.000 0.447 592 H N 2.023 120.654 119.070 -0.731 0.000 2.476 592 H HA 0.384 4.930 4.556 -0.017 0.000 0.328 592 H C -0.937 173.873 175.328 -0.863 0.000 1.073 592 H CA -0.923 54.713 56.048 -0.688 0.000 1.229 592 H CB 0.994 30.365 29.762 -0.651 0.000 1.432 592 H HN 0.463 nan 8.280 nan 0.000 0.477 593 F N 3.702 123.533 119.950 -0.197 0.000 2.453 593 F HA 0.262 4.779 4.527 -0.017 0.000 0.358 593 F C -2.152 173.626 175.800 -0.037 0.000 1.129 593 F CA -2.532 55.246 58.000 -0.369 0.000 1.200 593 F CB 0.616 39.261 39.000 -0.592 0.000 1.431 593 F HN 0.394 nan 8.300 nan 0.000 0.503 594 P HA 0.014 nan 4.420 nan 0.000 0.264 594 P C -0.215 177.189 177.300 0.174 0.000 1.179 594 P CA 0.090 63.308 63.100 0.196 0.000 0.763 594 P CB 0.595 32.468 31.700 0.290 0.000 0.806 595 R N 1.555 122.121 120.500 0.110 0.000 2.902 595 R HA 0.397 4.727 4.340 -0.017 0.000 0.258 595 R C 0.507 176.864 176.300 0.096 0.000 1.071 595 R CA -0.778 55.375 56.100 0.087 0.000 1.024 595 R CB 0.179 30.512 30.300 0.056 0.000 1.184 595 R HN 0.089 nan 8.270 nan 0.000 0.492 596 V N 1.092 121.050 119.914 0.073 0.000 2.380 596 V HA -0.263 3.847 4.120 -0.017 0.000 0.251 596 V C 1.783 177.955 176.094 0.129 0.000 1.063 596 V CA 2.285 64.644 62.300 0.099 0.000 1.055 596 V CB -0.791 31.066 31.823 0.058 0.000 0.657 596 V HN 0.753 nan 8.190 nan 0.000 0.455 597 E N -0.010 120.238 120.200 0.079 0.000 2.333 597 E HA -0.166 4.174 4.350 -0.017 0.000 0.198 597 E C 1.681 178.316 176.600 0.057 0.000 1.007 597 E CA 0.936 57.370 56.400 0.056 0.000 0.845 597 E CB -0.264 29.452 29.700 0.027 0.000 0.766 597 E HN 0.598 nan 8.360 nan 0.000 0.507 598 D N -1.038 119.418 120.400 0.095 0.000 2.355 598 D HA -0.063 4.567 4.640 -0.017 0.000 0.218 598 D C -0.238 176.165 176.300 0.171 0.000 1.004 598 D CA 0.262 54.318 54.000 0.094 0.000 0.880 598 D CB 0.137 40.996 40.800 0.099 0.000 0.911 598 D HN 0.220 nan 8.370 nan 0.000 0.528 599 W N 2.316 123.620 121.300 0.005 0.000 2.606 599 W HA 0.205 4.854 4.660 -0.017 0.000 0.332 599 W C -1.896 174.639 176.519 0.025 0.000 1.052 599 W CA -2.000 55.357 57.345 0.021 0.000 1.223 599 W CB 2.080 31.555 29.460 0.025 0.000 1.383 599 W HN -0.197 nan 8.180 nan 0.000 0.524 600 P HA 0.083 nan 4.420 nan 0.000 0.236 600 P C 0.028 176.870 177.300 -0.764 0.000 1.177 600 P CA 0.872 63.066 63.100 -1.510 0.000 0.773 600 P CB 1.443 32.559 31.700 -0.973 0.000 0.878 601 I N -0.337 119.972 120.570 -0.435 0.000 2.607 601 I HA 0.291 4.451 4.170 -0.017 0.000 0.290 601 I C -0.650 175.319 176.117 -0.247 0.000 1.129 601 I CA -1.597 59.450 61.300 -0.421 0.000 1.042 601 I CB 2.299 39.801 38.000 -0.829 0.000 1.242 601 I HN -0.312 nan 8.210 nan 0.000 0.421 602 M N 9.315 128.812 119.600 -0.172 0.000 2.219 602 M HA 0.294 4.764 4.480 -0.017 0.000 0.353 602 M C -2.295 173.948 176.300 -0.096 0.000 1.304 602 M CA -1.375 53.870 55.300 -0.092 0.000 1.115 602 M CB 0.207 32.777 32.600 -0.049 0.000 1.664 602 M HN 0.289 nan 8.290 nan 0.000 0.459 603 P HA 0.162 nan 4.420 nan 0.000 0.277 603 P C -0.461 176.822 177.300 -0.028 0.000 1.240 603 P CA -0.461 62.605 63.100 -0.056 0.000 0.798 603 P CB 0.736 32.410 31.700 -0.042 0.000 0.979 604 V N 2.744 122.652 119.914 -0.009 0.000 2.644 604 V HA -0.077 4.032 4.120 -0.017 0.000 0.305 604 V C 0.778 176.887 176.094 0.025 0.000 1.053 604 V CA 1.162 63.477 62.300 0.025 0.000 1.186 604 V CB -0.389 31.457 31.823 0.039 0.000 0.895 604 V HN 0.643 nan 8.190 nan 0.000 0.490 605 D N 2.810 123.243 120.400 0.054 0.000 2.350 605 D HA 0.639 5.269 4.640 -0.017 0.000 0.245 605 D C -0.202 176.141 176.300 0.073 0.000 1.036 605 D CA -0.227 53.826 54.000 0.088 0.000 0.848 605 D CB 2.121 43.033 40.800 0.186 0.000 1.307 605 D HN 0.718 nan 8.370 nan 0.000 0.469 606 T N -0.810 113.781 114.554 0.061 0.000 2.924 606 T HA 0.786 5.126 4.350 -0.017 0.000 0.291 606 T C -0.762 173.987 174.700 0.082 0.000 1.045 606 T CA -0.813 61.297 62.100 0.018 0.000 1.015 606 T CB 1.609 70.461 68.868 -0.027 0.000 1.103 606 T HN 0.236 nan 8.240 nan 0.000 0.496 607 V N -0.147 119.795 119.914 0.048 0.000 3.204 607 V HA 0.865 4.975 4.120 -0.017 0.000 0.298 607 V C -0.185 175.918 176.094 0.014 0.000 1.328 607 V CA 0.504 62.906 62.300 0.169 0.000 1.035 607 V CB 1.781 33.758 31.823 0.258 0.000 1.095 607 V HN 1.646 nan 8.190 nan 0.000 0.442 608 G N 2.643 111.309 108.800 -0.224 0.000 2.393 608 G HA2 0.715 4.665 3.960 -0.017 0.000 0.264 608 G HA3 0.715 4.665 3.960 -0.017 0.000 0.264 608 G C -1.480 172.878 174.900 -0.904 0.000 1.221 608 G CA 0.232 44.995 45.100 -0.561 0.000 0.912 608 G HN 1.919 nan 8.290 nan 0.000 0.483 609 F N -1.045 118.554 119.950 -0.585 0.000 2.807 609 F HA 0.846 5.362 4.527 -0.017 0.000 0.316 609 F C -1.112 174.676 175.800 -0.020 0.000 1.162 609 F CA -0.999 56.834 58.000 -0.279 0.000 0.910 609 F CB 1.409 40.264 39.000 -0.242 0.000 1.314 609 F HN 0.845 nan 8.300 nan 0.000 0.454 610 K N 0.897 121.443 120.400 0.243 0.000 2.555 610 K HA 0.836 5.146 4.320 -0.017 0.000 0.279 610 K C -2.452 174.385 176.600 0.395 0.000 0.986 610 K CA -1.067 55.350 56.287 0.216 0.000 0.880 610 K CB 2.633 35.229 32.500 0.160 0.000 1.474 610 K HN 0.726 nan 8.250 nan 0.000 0.433 611 L N 1.515 122.973 121.223 0.392 0.000 2.381 611 L HA 0.547 4.876 4.340 -0.017 0.000 0.274 611 L C -0.528 176.621 176.870 0.465 0.000 0.988 611 L CA -0.613 54.490 54.840 0.438 0.000 0.824 611 L CB 1.929 44.261 42.059 0.455 0.000 1.263 611 L HN 0.527 nan 8.230 nan 0.000 0.410 612 R N 3.342 124.033 120.500 0.319 0.000 2.589 612 R HA 0.531 4.860 4.340 -0.017 0.000 0.293 612 R C -2.587 173.500 176.300 -0.355 0.000 0.963 612 R CA -1.944 54.216 56.100 0.101 0.000 0.905 612 R CB 1.850 32.246 30.300 0.161 0.000 1.144 612 R HN 0.271 nan 8.270 nan 0.000 0.459 613 P HA -0.031 nan 4.420 nan 0.000 0.265 613 P C -0.565 176.527 177.300 -0.346 0.000 1.193 613 P CA 0.215 62.709 63.100 -1.009 0.000 0.765 613 P CB 0.671 32.096 31.700 -0.457 0.000 0.823 614 E N 2.138 122.193 120.200 -0.242 0.000 2.675 614 E HA 0.435 4.774 4.350 -0.017 0.000 0.236 614 E C 0.716 177.316 176.600 -0.000 0.000 1.059 614 E CA -0.399 55.965 56.400 -0.060 0.000 0.775 614 E CB -0.575 29.109 29.700 -0.027 0.000 1.356 614 E HN 0.670 nan 8.360 nan 0.000 0.403 615 G N 3.395 112.205 108.800 0.018 0.000 2.179 615 G HA2 -0.363 3.587 3.960 -0.017 0.000 0.257 615 G HA3 -0.363 3.587 3.960 -0.017 0.000 0.257 615 G C 0.510 175.424 174.900 0.024 0.000 1.010 615 G CA 0.476 45.592 45.100 0.027 0.000 0.736 615 G HN 0.544 nan 8.290 nan 0.000 0.513 616 F N 0.018 119.858 119.950 -0.184 0.000 2.187 616 F HA 0.471 4.987 4.527 -0.017 0.000 0.295 616 F C 1.347 176.887 175.800 -0.434 0.000 1.091 616 F CA 0.541 58.338 58.000 -0.339 0.000 1.308 616 F CB 0.057 38.754 39.000 -0.505 0.000 1.030 616 F HN 0.120 nan 8.300 nan 0.000 0.487 617 F N 0.447 120.424 119.950 0.045 0.000 2.411 617 F HA 0.217 4.733 4.527 -0.018 0.000 0.324 617 F C 1.385 177.148 175.800 -0.062 0.000 1.086 617 F CA -0.763 57.207 58.000 -0.050 0.000 1.028 617 F CB 0.342 39.318 39.000 -0.040 0.000 1.284 617 F HN -0.254 nan 8.300 nan 0.000 0.501 618 D N 0.071 120.560 120.400 0.147 0.000 2.349 618 D HA 0.062 4.692 4.640 -0.017 0.000 0.215 618 D C 0.357 176.689 176.300 0.053 0.000 1.016 618 D CA 0.604 54.639 54.000 0.058 0.000 0.870 618 D CB 0.280 41.098 40.800 0.029 0.000 0.917 618 D HN 0.521 nan 8.370 nan 0.000 0.524 619 R N -1.971 118.574 120.500 0.075 0.000 2.832 619 R HA 0.196 4.526 4.340 -0.017 0.000 0.283 619 R C -0.793 175.507 176.300 -0.000 0.000 0.998 619 R CA -0.750 55.366 56.100 0.027 0.000 0.843 619 R CB 0.367 30.669 30.300 0.003 0.000 1.332 619 R HN -0.162 nan 8.270 nan 0.000 0.490 620 S N 1.087 116.764 115.700 -0.039 0.000 2.575 620 S HA 0.097 4.557 4.470 -0.017 0.000 0.295 620 S C -1.226 173.266 174.600 -0.180 0.000 1.267 620 S CA -0.796 57.347 58.200 -0.095 0.000 1.074 620 S CB 0.461 63.627 63.200 -0.058 0.000 0.829 620 S HN 0.511 nan 8.310 nan 0.000 0.497 621 P HA 0.076 nan 4.420 nan 0.000 0.249 621 P C 0.626 177.808 177.300 -0.196 0.000 1.229 621 P CA 0.311 63.117 63.100 -0.489 0.000 0.788 621 P CB -0.216 30.683 31.700 -1.335 0.000 1.072 622 V N -4.142 115.705 119.914 -0.111 0.000 3.043 622 V HA 0.232 4.342 4.120 -0.017 0.000 0.357 622 V C 1.575 177.687 176.094 0.030 0.000 1.372 622 V CA -0.073 62.217 62.300 -0.017 0.000 1.214 622 V CB -0.854 30.983 31.823 0.024 0.000 1.224 622 V HN -0.119 nan 8.190 nan 0.000 0.507 623 L N 1.220 122.452 121.223 0.016 0.000 2.376 623 L HA 0.030 4.360 4.340 -0.017 0.000 0.219 623 L C 2.110 179.018 176.870 0.063 0.000 1.133 623 L CA 1.415 56.288 54.840 0.056 0.000 0.816 623 L CB -0.262 41.808 42.059 0.018 0.000 0.933 623 L HN 0.559 nan 8.230 nan 0.000 0.449 624 D N -0.660 119.757 120.400 0.028 0.000 2.339 624 D HA -0.015 4.614 4.640 -0.017 0.000 0.217 624 D C 0.657 176.963 176.300 0.009 0.000 1.050 624 D CA 0.005 54.016 54.000 0.018 0.000 0.856 624 D CB -0.186 40.614 40.800 0.000 0.000 0.922 624 D HN -0.004 nan 8.370 nan 0.000 0.518 625 V N 3.582 123.507 119.914 0.018 0.000 2.479 625 V HA 0.133 4.243 4.120 -0.017 0.000 0.281 625 V C -1.579 174.510 176.094 -0.008 0.000 1.031 625 V CA -1.039 61.260 62.300 -0.002 0.000 1.038 625 V CB 0.682 32.510 31.823 0.008 0.000 0.981 625 V HN 0.172 nan 8.190 nan 0.000 0.478 626 P HA 0.132 nan 4.420 nan 0.000 0.270 626 P C 0.500 177.768 177.300 -0.052 0.000 1.223 626 P CA -0.095 62.990 63.100 -0.025 0.000 0.785 626 P CB 1.089 32.777 31.700 -0.020 0.000 0.923 627 A N 2.055 124.839 122.820 -0.060 0.000 1.855 627 A HA -0.138 4.172 4.320 -0.017 0.000 0.215 627 A C 0.793 178.339 177.584 -0.063 0.000 1.191 627 A CA 1.222 53.204 52.037 -0.091 0.000 0.613 627 A CB -1.367 17.589 19.000 -0.074 0.000 0.829 627 A HN 0.701 nan 8.150 nan 0.000 0.442 628 N N 0.000 118.678 118.700 -0.037 0.000 1.763 628 N HA 0.000 4.730 4.740 -0.017 0.000 0.220 628 N CA 0.000 53.037 53.050 -0.021 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